"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","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.016","C.017","C.018","C.019","C.020","C.024","C.025","C.026","C.027","C.028","C.029","C.031","C.032","C.033","C.034","C.037","C.038","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_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_02_PP","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_NN","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_PL","CATS2D_05_PN","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_NN","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_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_NN","CATS2D_07_PL","CATS2D_07_PN","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_NN","CATS2D_08_PL","CATS2D_08_PN","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_NN","CATS2D_09_PL","CATS2D_09_PN","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.Dtr04","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","D.Dtr10","D.Dtr11","D.Dtr12","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.dm.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.dm.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.dm.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.dm.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.dm.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.081","F.083","F.084","F.085","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","H.054","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","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","nArC.N","nArCNO","nArCO","nArCONHR","nArCONR2","nArCOOH","nArNH2","nArNHR","nArNO2","nArNR2","nArOH","nArOR","nArX","nAT","nBeta.Lactams","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCH2RX","nCIC","nCIR","nCL","nC.N.N.","nC..N.N2","nCONN","nCp","nCq","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nDB","NddsN","NddssS","NdNH","NdO","NdsCH","NdsN","NdssC","NdssS","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nN","nN.","nN.C.N.","nN.N","NNRS","nO","nOHp","nOHs","nOHt","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR03","nR04","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nRCO","nRCONH2","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nR.Cs","nR.Ct","nRNH2","nRNHR","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nRSSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nS..O.2","nSO2N","nSO2OH","nSO3","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","nThiazoles","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_1d","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","SddsN","SddssS","SdNH","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","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 2.007,2 11.567,3 -0.641,4 0.411,5 107.133,6 9.692,7 0.156,8 4.001,9 4.084,10 3.826,11 3.496,12 5.311,13 3.498,14 4.487,15 4.607,16 4.204,17 3.832,18 5.885,19 3.816,20 4.615,21 4.735,22 4.223,23 3.918,24 5.98,25 3.909,26 4.75,27 4.872,28 4.358,29 3.967,30 6.167,31 3.98,32 4.823,33 4.944,34 4.43,35 3.92,36 6.455,37 3.957,38 4.766,39 4.923,40 4.211,41 3.897,42 6.213,43 3.869,44 4.717,45 4.88,46 4.152,47 3.857,48 6.21,49 3.81,50 4.571,51 4.722,52 4.091,53 3.724,54 6.149,55 3.674,56 0.347,57 0.744,58 6.409,59 4.357,60 37.96,61 3.962,62 0.81,63 1.13,64 20.985,65 7.307,66 84.989,67 7.21,68 0.899,69 1.232,70 19.1,71 7.803,72 105.655,73 7.146,74 1.077,75 1.294,76 24.06,77 9.028,78 129.565,79 8.386,80 1.481,81 1.275,82 26.599,83 9.125,84 225.096,85 8.296,86 1.303,87 1.253,88 26.442,89 8.876,90 161.755,91 8.634,92 1.258,93 1.191,94 32.895,95 9.596,96 164.392,97 9.37,98 1.065,99 1.041,100 25.17,101 8.171,102 182.257,103 7.523,104 79,105 46,106 0.343,107 0.747,108 0.894,109 0.894,110 0.894,111 0.894,112 3.441,113 0.969,114 -1.45,115 -1.53,116 -1.58,118 34,119 1,123 1,124 2,126 1,127 1,133 1,135 1,141 1,145 1,149 1,150 4,153 1,154 1,155 1,156 1,157 1,158 1,161 1,165 2,166 6,167 1,168 1,169 3,171 1,174 1,175 1,176 1,178 3,179 1,182 4,184 2,191 4,192 5,193 2,195 2,200 1,201 1,203 4,204 4,206 1,207 3,209 3,210 1,216 4,217 3,218 1,219 2,220 3,221 2,224 1,225 1,226 1,230 5,231 4,232 1,234 2,236 1,244 2,245 4,246 1,248 1,253 1,258 2,259 2,260 2,261 2,262 4,264 2,270 1,272 1478,273 19.629,274 19.629,275 19.629,276 19.629,277 19.629,278 17.928,279 21.959,280 11.448,281 20.376,282 15.716,283 15.716,284 15.716,285 15.716,286 15.716,287 12.887,288 19.781,289 5.304,290 16.912,291 3.548,292 1.187,293 0.33,294 0.33,295 0.33,296 0.33,297 4.111,301 1,302 717,303 4.583,305 62.102,306 93.982,307 94.062,309 128.679,314 1.862,315 58.841,318 0.75,319 0.67,320 0.83,321 0.7,322 0.5,323 0.67,324 0.5,325 0.66,326 69.5,327 347,328 4.611,329 4.612,330 7.226,331 4.385,332 3.442,333 3.956,334 3.435,335 12.763,336 3.244,337 4.372,338 4.017,339 6.479,340 3.975,341 3.011,342 3.923,343 2.455,344 10.05,345 2.908,346 4.068,347 3.799,348 6.356,349 3.743,350 2.765,351 3.333,352 2.373,353 9.53,354 2.697,355 3.801,356 3.653,357 5.347,358 3.292,359 2.396,360 3.184,361 1.984,362 6.74,363 2.14,364 3.549,365 3.595,366 5.147,367 3.195,368 2.232,369 2.709,370 1.437,371 5.871,372 2.115,373 3.252,374 3.47,375 4.958,376 2.92,377 1.955,378 2.324,379 1.071,380 5.139,381 1.869,382 3.126,383 2.999,384 4.814,385 2.707,386 1.773,387 2.238,388 1.048,389 5.043,390 1.624,391 2.856,392 2.742,393 4.602,394 2.498,395 1.572,396 1.831,397 0.631,398 4.548,399 1.41,400 2.725,401 2.559,402 4.576,403 2.326,404 1.398,405 1.708,406 0.182,407 4.078,408 1.285,409 2.463,410 2.12,411 3.857,412 2.221,413 1.263,414 1.403,415 0.035,416 2.845,417 1.194,418 2.198,419 1.987,420 3.537,421 1.699,422 0.789,423 1.063,425 1.855,426 0.691,427 2.049,428 1.75,429 3.27,430 1.56,431 0.725,432 0.885,434 1.71,435 0.588,436 1.788,437 1.205,438 3.115,439 1.492,440 0.59,441 0.663,443 1.365,444 0.521,445 1.7,446 1.203,447 2.94,448 1.258,449 0.351,450 0.447,452 0.696,453 0.313,454 0.915,455 0.697,456 2.558,457 0.616,458 -0.296,459 -0.319,461 -0.743,462 -0.261,463 14,464 0.467,465 0.933,466 0.031,467 34,468 1.133,469 13.5,470 0.45,471 20.5,472 0.683,473 28.899,474 0.963,475 34,476 0.723,477 29.825,478 0.994,479 6.774,480 0.226,481 7.465,482 0.249,483 0.219,485 0.421,490 0.825,491 1.278,492 0.699,493 0.914,494 0.683,495 0.85,496 0.753,497 1.252,498 1.009,499 1.122,500 0.522,501 0.87,502 1.02,503 1.014,504 1.034,505 0.987,506 1.021,507 0.991,508 1.032,509 1.114,510 0.947,511 1.118,512 1.102,513 1.015,514 1.122,515 1.148,516 0.802,517 1.043,518 1.243,519 0.984,520 1.093,521 0.865,522 1.01,523 0.889,524 1.212,525 0.999,526 0.957,527 0.93,528 1.244,529 1.124,530 0.92,531 0.992,532 1.048,533 1.155,534 0.973,535 1.037,536 1.104,537 1.1,538 6.5,539 0.191,540 3.778,541 3.347,542 2.169,543 1.671,544 0.949,545 0.644,546 0.421,547 0.277,548 10633,549 45088,550 1.955,551 36.2,553 8,554 2,556 4,557 3,561 1.731,562 1.765,563 3.473,564 1.829,570 94.318,571 2.007,572 4.368,573 5.225,574 5.225,575 5.225,576 5.225,577 2.978,578 4.482,579 4.875,580 3.662,581 1593.18,582 8.523,583 22023.2,588 261.066,589 1.566,590 4.796,591 0.203,592 0.008,593 0.086,594 0.073,595 0.043,596 0.034,597 0.023,598 0.017,599 0.013,600 0.011,601 0.511,602 0.17,603 0.88,604 1.428,605 153.806,606 -0.121,607 -0.08,608 0.023,609 0.067,610 -0.089,611 0.044,612 0.071,613 -0.127,614 0.028,615 0.002,616 0.136,617 0.106,618 -0.14,619 0.099,620 -0.168,621 -0.012,622 -0.145,623 -0.089,624 -0.06,625 -0.074,626 -0.037,627 -0.135,628 -0.116,629 -0.086,630 0.031,631 -0.198,632 0.107,633 -0.112,634 0.018,635 -0.07,636 -0.076,637 0.117,638 -0.072,639 0.041,640 -0.134,641 -0.056,642 0.03,643 0.061,644 -0.099,645 -0.026,646 0.082,647 0.027,648 -0.05,649 -0.183,650 0.037,651 -0.03,652 0.048,653 -0.117,654 2.986,655 5.659,656 0.433,657 31.436,658 1.048,659 1.134,660 0.218,661 0.047,662 0.682,663 3.497,664 3.85,665 4.143,666 4.431,667 4.625,668 4.745,669 4.89,670 4.913,671 4.977,672 5.004,673 6.841,674 0.673,675 455.52,676 3.497,677 5.056,678 5.922,679 6.832,680 7.731,681 8.65,682 9.564,683 10.49,684 11.412,685 12.342,686 10.6,690 1,693 2,695 1,696 1,701 1,702 1,705 1,706 2,708 5,712 1,717 1,724 47,725 1,726 11,728 32,730 49,731 16,732 3,735 5,737 3,738 4,743 1,746 1,749 1,751 10,752 6,754 6,758 4,760 1,761 7,764 1,767 17,768 12,769 4,770 14,771 2,773 5,777 0.667,778 7,787 1,788 1,789 1,791 1,798 1,799 1,800 1,801 1,802 1,803 1,808 1,810 2,811 1,813 2,815 2,819 30,820 1,826 1,827 2,828 1,829 2,830 1,831 2,832 1,835 1,839 14.9,841 1,842 4,844 2,846 17,847 8.967,848 6.667,849 2.351,850 1.237,851 1.167,852 0.911,853 7.127,854 8.649,855 3.726,856 4.252,857 4.717,858 5.168,859 5.43,860 5.609,861 5.833,862 5.82,863 5.934,864 6.092,865 0.875,866 46,867 11.205,869 4.987,870 0.006,871 8.361,872 19.918,874 16.017,876 2.861,877 85.833,881 153.024,882 125.814,883 90.218,885 165.482,887 63.497,888 62.316,889 318.506,890 90.218,891 19.708,892 26.627,893 40.546,894 183.073,895 48.062,896 23.542,897 192.979,899 153.024,900 152.534,901 165.482,902 63.497,904 153.024,905 165.482,908 58.11,909 74.882,910 19.542,911 63.497,912 153.024,913 255.699,914 125.814,917 153.024,918 98.456,919 30.482,920 18.011,921 234.564,922 153.024,923 255.699,924 125.814,926 0.584,927 0.339,928 0.192,929 0.109,930 21,931 12,932 0.163,933 8,934 1,935 1.154,936 3.952,937 264.677,938 0.154,939 13,940 147.207,941 2,944 22.68,945 9.428,946 4.694,948 255.699,949 1.517,950 3.98,953 1.107,954 0.415,956 93.591,957 534.537,958 40.5,962 48.045,964 3.654,965 -3.306,967 49.255,968 53.289,969 0.361,970 0.786,971 0.941,972 0.941,973 0.941,974 0.941,975 5.006,976 1.572,977 5.943,978 5.043,979 4.533,980 4.938,981 4.124,982 6.823,983 4.403,984 6.216,985 1.398,986 7.549,987 4.548,988 4.29,989 4.868,990 2.619,991 7.892,992 4.169,993 7.544,994 1.263,995 9.259,996 4.078,997 6.201,998 7.018,999 6.05,1000 11.08,1001 5.97,1002 8.905,1003 0.789,1004 11.031,1005 2.845,1006 6.781,1007 7.746,1008 4.563,1009 13.024,1010 6.548,1011 10.299,1012 0.725,1013 12.845,1014 1.855,1015 8.209,1016 9.406,1017 8.291,1018 15.756,1019 7.891,1020 11.715,1021 0.59,1022 14.69,1023 1.71,1024 9.148,1025 10.477,1026 6.4,1027 18.049,1028 8.804,1029 13.149,1030 0.351,1031 16.557,1032 1.365,1033 10.415,1034 11.955,1035 10.656,1036 20.638,1037 10.001,1038 3.442,1039 -0.296,1040 18.443,1041 0.696,1042 11.508,1043 13.181,1044 8.225,1045 23.071,1046 11.051,1047 3.011,1048 12.763,1049 20.342,1050 -0.743,1051 12.726,1052 14.588,1053 13.076,1054 25.618,1055 12.205,1056 2.765,1057 10.05,1058 22.254,1059 3.956,1060 13.887,1061 15.886,1062 10.09,1063 28.111,1064 13.312,1065 2.396,1066 9.53,1067 24.174,1068 3.923,1069 15.095,1070 17.266,1071 15.521,1072 30.648,1073 14.458,1074 2.232,1075 6.74,1076 26.102,1077 3.333,1078 16.286,1079 18.598,1080 12.042,1081 33.167,1082 15.59,1083 1.955,1084 5.871,1085 28.037,1086 3.184,1087 17.496,1088 19.968,1089 17.978,1090 35.705,1091 16.738,1092 1.773,1093 5.139,1094 29.976,1095 2.709,1096 18.703,1097 21.318,1098 14.129,1099 38.237,1100 17.883,1101 10696,1102 22137,1103 20.115,1104 32.074,1105 49.681,1106 54.782,1107 51.943,1108 48.381,1109 48.525,1110 59.335,1111 29.302,1112 144.468,1113 45.2,1114 5.611,1115 6.535,1116 6.984,1117 5.544,1118 5.442,1119 6.637,1120 6.869,1121 20.763,1122 5.151,1123 20.411,1124 1.553,1125 1.712,1126 1.623,1127 1.512,1128 1.516,1129 1.854,1130 0.916,1131 4.515,1132 1.412,1133 3.997,1134 4.023,1135 4.22,1136 3.886,1137 7.475,1138 3.871,1139 3.86,1140 3.881,1141 4.1,1142 3.818,1143 7.436,1144 3.763,1145 3.636,1146 3.658,1147 3.615,1148 3.443,1149 7.431,1150 3.463,1151 3.502,1152 3.525,1153 3.514,1154 3.265,1155 7.423,1156 3.288,1157 3.407,1158 3.437,1159 3.392,1160 3.187,1161 6.351,1162 3.204,1163 3.206,1164 3.258,1165 3.359,1166 2.988,1167 5.165,1168 2.969,1169 3.196,1170 3.201,1171 3.049,1172 2.897,1173 4.902,1174 2.907,1175 2.912,1176 3.005,1177 2.948,1178 2.725,1179 4.519,1180 2.687,1181 0.144,1182 0.144,1183 0.226,1184 0.137,1185 0.108,1186 4.611,1187 0.124,1188 4.612,1189 0.107,1190 7.226,1191 0.399,1192 4.385,1193 0.101,1194 3.442,1195 3.956,1196 3.435,1197 12.763,1198 3.244,1199 1.886,1200 1.863,1201 1.934,1202 2.051,1203 1.305,1204 2.033,1205 1.615,1206 1.592,1207 1.734,1208 1.83,1209 0.966,1210 1.792,1211 1.496,1212 1.471,1213 1.662,1214 1.742,1215 0.701,1216 1.712,1217 1.379,1218 1.344,1219 1.604,1220 1.615,1221 0.688,1222 1.605,1223 1.305,1224 1.285,1225 1.511,1226 1.537,1227 0.567,1228 1.533,1229 1.181,1230 1.1,1231 1.335,1232 1.462,1233 0.487,1234 1.491,1235 1.038,1236 1.035,1237 1.225,1238 1.376,1239 0.331,1240 1.325,1241 1.001,1242 0.963,1243 1.174,1244 1.259,1245 0.145,1246 1.249,1247 4.174,1249 5.549,1250 2.398,1251 7.124,1252 4.595,1253 8.805,1254 6.555,1255 10.552,1257 2.458,1261 5.584,1262 9.548,1263 -0.009,1264 2.544,1265 9.567,1266 1.246,1267 -1.594,1268 1.078,1272 31.646,1273 94.318,1274 205.291,1275 245.556,1276 245.556,1277 245.556,1278 245.556,1279 98.858,1280 7.412,1281 173.51,1282 227.05,1283 15,1284 12.846,1285 3.585,1286 3.248,1287 55.189,1288 123,1289 122,1290 0.224,1291 202.856,1292 369.81,1293 486.728,1294 14795,1296 21.999,1297 0.733,1298 0.58,1299 22.706,1300 17.411,1301 14.239,1302 0.445,1303 0.323,1304 8.354,1305 12.363,1306 7.987,1307 6.56,1308 15.148,1309 10.338,1310 13.238,1311 0.288,1312 0.176,1313 14.4,1314 8.087,1315 10.409,1316 0.168,1317 0.099,1318 11.73,1319 6.162,1320 8.874,1321 0.107,1322 0.056,1323 10.372,1324 4.685,1325 7.084,1326 0.07,1327 0.033,1328 8.599,1329 3.326,1330 0.349,1331 101.58,1332 0.223,1333 28.172,1334 0.622,1335 156,1336 652.864,1337 229.163,1338 642.14,1339 834.53,1340 594,1341 186,1342 553.947,1343 250.747,1344 572.302,1345 840.33,1346 532,1347 4.921}
{0 CHEMBL1020,1 1.5,2 8.421,3 3.242,4 10.511,5 72.393,6 7.568,7 0.55,8 3.608,9 3.71,10 3.169,11 3.167,12 4.819,13 3.148,14 4.095,15 4.256,16 3.52,17 3.522,18 5.359,19 3.489,20 4.29,21 4.449,22 3.53,23 3.634,24 5.522,25 3.576,26 4.403,27 4.601,28 3.485,29 3.607,30 5.633,31 3.52,32 4.351,33 4.583,34 3.368,35 3.427,36 5.579,37 3.372,38 4.099,39 4.271,40 3.092,41 3.295,42 5.357,43 3.217,44 4.026,45 4.257,46 2.94,47 3.136,48 5.418,49 3.012,50 3.773,51 4.025,52 2.657,53 2.886,54 4.861,55 2.77,56 0.04,57 0.446,58 6.5,59 3.198,60 9.342,61 3.912,62 0.189,63 0.713,64 11.929,65 5.005,66 36.89,67 6.547,68 0.24,69 0.83,70 14.914,71 6.049,72 33.784,73 7.589,74 0.255,75 0.882,76 17.754,77 7.06,78 35.348,79 9.304,80 0.329,81 0.792,82 18.66,83 6.165,84 64.838,85 8.046,86 0.27,87 0.628,88 13.307,89 4.875,90 52.22,91 5.864,92 0.348,93 0.57,94 13.171,95 4.851,96 77.984,97 6.609,98 0.123,99 0.456,100 10.133,101 3.653,102 19.488,103 5.058,104 28,105 28,106 0.277,107 0.63,108 0.772,109 0.834,110 0.834,111 0.834,112 3.01,113 0.895,114 -3.23,115 -3.22,116 -3.09,118 44.1,119 1,120 1,123 1,137 6,138 2,146 2,149 1,150 1,158 1,161 1,162 8,163 1,166 5,169 1,171 1,174 9,178 1,179 4,180 1,187 7,188 1,191 1,192 6,195 1,197 1,200 4,201 1,204 5,209 1,212 5,217 2,218 1,225 5,226 1,230 1,231 2,234 1,236 1,239 4,240 2,245 2,250 2,253 2,254 2,259 2,264 2,267 1,268 1,272 427,273 12.276,274 12.276,275 12.276,276 12.276,277 12.276,278 10.589,279 10.565,280 7.133,281 12.357,282 9.812,283 9.812,284 9.812,285 9.812,286 9.812,287 7.286,288 9.997,289 3.364,290 9.926,291 3.587,292 1.677,293 0.912,294 0.574,295 0.574,296 0.574,297 3.658,299 1,300 1,301 1,302 326,303 3.082,306 56.059,307 65.136,314 1.33,315 23.614,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 41.5,327 160,328 4.512,329 3.667,330 6.703,331 4.134,332 3.155,333 4.184,334 2.397,335 10.708,336 3.099,337 4.086,338 3.592,339 6.005,340 3.696,341 2.704,342 3.681,343 0.242,344 8.438,345 2.666,346 3.695,347 2.924,348 5.244,349 3.338,350 2.334,351 3.044,353 6.405,354 2.337,355 3.478,356 2.584,357 4.947,358 3.095,359 2.096,360 2.684,362 5.661,363 2.071,364 3.047,365 1.915,366 4.519,367 2.633,368 1.637,369 2.213,371 4.495,372 1.621,373 2.568,374 1.797,375 3.935,376 2.128,377 1.166,378 1.593,380 2.873,381 1.118,382 2.5,383 1.252,384 3.61,385 2,386 1,387 1.5,389 2.275,390 1,391 2.426,392 1,393 3.414,394 1.896,395 0.85,396 1.244,398 2.131,399 0.88,400 1.194,401 0.74,402 2.608,403 0.921,404 -0.074,405 -0.087,407 -0.179,408 -0.073,409 1.113,410 0.307,411 2.251,412 0.737,413 -0.293,414 -0.387,416 -0.639,417 -0.3,418 0.605,419 0.128,420 2,421 0.224,422 -0.776,423 -0.9,425 -1.909,426 -0.737,427 0.5,428 -0.309,429 2,431 -1,432 -1.404,434 -2,435 -0.988,436 0.316,437 -0.781,438 1.685,439 -0.028,440 -1,441 -1.5,443 -2.963,444 -1,445 0.078,446 -1,447 1.462,448 -0.192,449 -1.224,450 -1.556,452 -3,453 -1.258,454 -0.054,455 -1.127,456 1.298,457 -0.405,458 -1.399,459 -1.858,461 -3.996,462 -1.381,463 8.9,464 0.468,465 0.6,466 0.032,467 24.5,468 1.289,469 13,470 0.684,471 11.5,472 0.605,473 12.758,474 0.671,475 20.5,476 0.603,477 17.671,478 0.93,479 5.175,480 0.272,481 3.811,482 0.201,483 0.225,485 0.382,490 0.708,491 1.213,492 0.78,493 1.041,494 0.66,495 0.945,496 0.533,497 1.034,498 0.715,499 0.902,500 0.438,501 0.842,502 0.985,503 1.079,504 1.112,505 1.085,506 0.96,507 1.112,508 0.752,509 1.211,510 0.994,511 1.236,512 0.885,513 1.184,514 1.283,515 0.803,516 0.894,517 0.766,518 1.295,519 0.75,520 1.554,521 1.051,522 1.404,523 1.096,524 1.566,525 1.201,526 0.584,527 0.976,528 0.937,529 1.024,530 0.65,531 1.053,532 0.754,533 0.928,534 0.915,535 1,536 0.626,537 0.981,538 4.5,539 0.058,540 2.667,541 1.694,542 1.147,543 0.667,544 0.334,545 0.214,546 0.138,547 0.056,548 2939,549 9261,550 1.935,551 44.1,552 3,553 9,556 1,557 2,561 1.603,562 1.754,563 3.06,564 -0.301,566 1,567 1,568 1,570 51.012,571 1.5,572 3.41,573 4.175,574 4.514,575 4.514,576 4.514,577 2.505,578 3.722,579 4.216,580 3.177,581 543.29,582 7.183,583 5286.98,584 1,585 1,587 1,588 172.974,589 1.568,590 4.14,591 0.225,592 0.019,593 0.095,594 0.063,595 0.048,596 0.03,597 0.021,598 0.016,599 0.014,600 0.009,601 0.541,602 0.67,603 1,604 1.178,605 82.23,606 -0.059,607 -0.092,608 0.009,609 0.006,610 -0.086,611 0.015,612 0.147,613 0.063,614 0.148,615 0.099,616 0.162,617 0.123,618 -0.1,619 -0.017,620 -0.222,621 -0.101,622 -0.099,623 -0.17,624 0.095,625 -0.238,626 -0.057,627 -0.254,628 0.004,629 -0.204,630 -0.131,631 0.136,632 0.147,633 0.174,634 -0.105,635 0.213,636 -0.324,637 -0.075,638 -0.434,639 -0.134,640 -0.313,641 -0.277,642 0.327,643 -0.067,644 0.058,645 -0.047,646 0.326,647 -0.05,648 0.001,649 0.023,650 0.071,651 -0.041,652 0.079,653 0.026,654 2.574,655 5.309,656 0.579,657 13.651,658 1.008,659 1.119,660 2.002,661 4.009,662 0.668,663 3.045,664 3.367,665 3.584,666 3.784,667 3.892,668 3.871,669 3.871,670 3.807,671 3.664,672 3.555,673 4.95,674 0.643,675 257.31,676 3.045,677 4.575,678 5.407,679 6.279,680 7.135,681 8.011,682 8.878,683 9.756,684 10.628,685 11.508,686 2.9,694 1,701 6,706 4,707 1,708 11,713 1,724 34,726 13,727 1,728 20,730 35,731 15,732 10,733 2,734 4,735 1,737 2,738 2,743 1,749 1,751 12,752 3,754 2,758 2,761 2,764 1,767 15,768 3,769 1,770 4,773 1,777 1,778 3,784 1,788 1,789 1,800 1,808 1,810 2,815 2,819 19,826 1,827 1,839 8.8,841 1,842 2,846 10.833,847 6.733,848 4.194,849 1.892,850 2.075,851 1.339,852 0.928,853 3.746,854 8.189,855 3.35,856 3.946,857 4.473,858 4.998,859 5.362,860 5.538,861 5.758,862 5.915,863 6.107,864 6.313,865 0.833,866 27,867 7.02,869 2.954,870 0.006,871 8.105,872 12.992,874 10.296,876 2.605,877 49.5,881 164.795,882 94.542,883 1.899,885 92.973,888 94.542,889 257.769,890 1.899,891 17.222,892 2.535,893 56.857,894 99.017,895 8.27,896 5.513,897 164.795,899 164.795,900 96.441,901 92.973,904 164.795,905 92.973,908 13.259,909 83.182,912 164.795,913 94.872,914 94.542,917 164.795,918 20.463,919 75.978,921 92.973,922 164.795,923 94.872,924 94.542,926 0.587,927 0.33,928 0.17,929 0.092,930 13,931 7,932 0.114,933 4,935 1,936 3.045,937 133.366,939 11,940 76.711,944 13.407,945 5.309,946 2.869,948 92.973,949 10.668,954 2.812,955 1.635,956 42.683,957 354.209,958 27.5,962 23.019,965 -1.005,967 34.269,968 38.033,969 0.295,970 0.67,971 0.821,972 0.887,973 0.887,974 0.887,975 4.572,976 0.85,977 5.416,978 2.275,979 4.043,980 4.63,981 2.35,982 6.225,983 4.021,984 5.802,985 -0.074,986 6.987,987 2.131,988 3.761,989 4.527,990 2.243,991 7.159,992 3.717,993 7.119,994 -0.293,995 8.659,996 -0.179,997 5.638,998 6.815,999 3.742,1000 10.242,1001 5.588,1002 8.469,1003 -0.776,1004 10.387,1005 -0.639,1006 6.133,1007 7.499,1008 4.213,1009 11.992,1010 6.057,1011 9.849,1012 -1,1013 12.153,1014 -1.909,1015 7.536,1016 9.29,1017 5.351,1018 14.623,1019 7.452,1020 11.25,1021 -1,1022 13.946,1023 -2,1024 8.376,1025 10.337,1026 6.05,1027 16.712,1028 8.264,1029 12.669,1030 -1.224,1031 15.759,1032 -2.963,1033 9.602,1034 11.922,1035 7.042,1036 19.184,1037 9.479,1038 3.155,1039 -1.399,1040 17.587,1041 -3,1042 10.6,1043 13.149,1044 7.838,1045 21.422,1046 10.452,1047 2.704,1048 10.708,1049 19.427,1050 -3.996,1051 11.762,1052 14.643,1053 8.766,1054 23.832,1055 11.598,1056 2.334,1057 8.438,1058 21.278,1059 4.184,1060 12.834,1061 15.961,1062 9.604,1063 26.138,1064 12.647,1065 2.096,1066 6.405,1067 23.136,1068 3.681,1069 13.974,1070 17.413,1071 10.503,1072 28.522,1073 13.77,1074 1.637,1075 5.661,1076 25.001,1077 3.044,1078 15.081,1079 18.78,1080 11.361,1081 30.861,1082 14.855,1083 1.166,1084 4.495,1085 26.872,1086 2.684,1087 16.217,1088 20.213,1089 12.247,1090 33.236,1091 15.973,1092 1,1093 2.873,1094 28.746,1095 2.213,1096 17.341,1097 21.606,1098 13.113,1099 35.59,1100 17.077,1101 3062,1102 5517,1103 12.542,1104 22.699,1105 30.623,1106 31.651,1107 31.954,1108 29.919,1109 29.886,1110 40.285,1111 5.279,1112 85.973,1113 29.586,1114 5.282,1115 5.667,1116 6.117,1117 5.134,1118 5.155,1119 7.184,1120 4.03,1121 18.084,1122 5.099,1123 11.62,1124 1.531,1125 1.583,1126 1.598,1127 1.496,1128 1.494,1129 2.014,1130 0.264,1131 4.299,1132 1.479,1133 4.05,1134 4.083,1135 4.007,1136 3.946,1137 7.474,1138 3.955,1139 3.875,1140 3.909,1141 3.808,1142 3.79,1143 7.427,1144 3.792,1145 3.466,1146 3.473,1147 3.402,1148 3.249,1149 6.351,1150 3.275,1151 3.254,1152 3.303,1153 3.153,1154 3.069,1155 4.755,1156 3.079,1157 3.067,1158 3.167,1159 2.819,1160 2.854,1161 4.674,1162 2.829,1163 2.885,1164 2.925,1165 2.713,1166 2.735,1167 3.844,1168 2.715,1169 2.854,1170 2.923,1171 2.687,1172 2.637,1173 3.783,1174 2.651,1175 2.579,1176 2.64,1177 2.369,1178 2.251,1179 3.674,1180 2.276,1181 0.226,1182 0.183,1183 0.335,1184 0.207,1185 0.158,1186 4.512,1187 0.209,1188 3.667,1189 0.12,1190 6.703,1191 0.535,1192 4.134,1193 0.155,1194 3.155,1195 4.184,1196 2.397,1197 10.708,1198 3.099,1199 1.936,1200 1.914,1201 2.047,1202 2.022,1203 1.151,1204 2.029,1205 1.68,1206 1.635,1207 1.837,1208 1.884,1209 1.028,1210 1.872,1211 1.558,1212 1.528,1213 1.711,1214 1.704,1215 0.814,1216 1.704,1217 1.215,1218 1.145,1219 1.537,1220 1.484,1221 0.612,1222 1.486,1223 1.171,1224 1.133,1225 1.44,1226 1.394,1227 0.514,1228 1.416,1229 0.886,1230 0.821,1231 1.181,1232 1.137,1233 0.218,1234 1.134,1235 0.843,1236 0.776,1237 1.097,1238 1.062,1239 0.143,1240 1.107,1241 0.56,1242 0.502,1243 0.841,1244 0.911,1246 0.895,1247 3.714,1249 5.03,1250 2.398,1251 6.526,1252 4.727,1253 8.103,1254 6.804,1255 9.724,1257 3.668,1262 8.789,1263 -0.086,1272 21.853,1273 51.012,1274 115.954,1275 141.954,1276 153.464,1277 153.464,1278 153.464,1279 39.442,1280 6.114,1281 59.3,1282 59.3,1283 11,1284 12.046,1285 3.807,1286 3.087,1287 33.66,1288 55,1289 56,1290 0.309,1291 138.16,1292 240.43,1293 328.87,1294 2790,1296 13.991,1297 0.736,1298 0.573,1299 13.991,1300 10.882,1301 8.986,1302 0.449,1303 0.298,1304 5.892,1305 8.672,1306 5.657,1307 4.743,1308 8.986,1309 5.965,1310 8.369,1311 0.299,1312 0.162,1313 8.369,1314 4.535,1315 6.543,1316 0.187,1317 0.089,1318 6.543,1319 3.105,1320 5.123,1321 0.119,1322 0.046,1323 5.123,1324 1.967,1325 3.74,1326 0.078,1327 0.025,1328 3.74,1329 1.221,1330 0.473,1331 56.27,1332 0.282,1333 18.93,1334 0.88,1335 96,1336 313.266,1337 104.946,1338 301.869,1339 396.46,1340 278,1341 111,1342 277.472,1343 119.036,1344 283.119,1345 407.22,1346 264,1347 5.62}
{0 CHEMBL107057,1 1.311,2 7,3 2.953,4 8.719,5 57.953,6 7.929,7 0.75,8 3.31,9 3.393,10 2.92,11 2.971,12 4.567,13 2.944,14 3.721,15 3.825,16 3.22,17 3.309,18 5.102,19 3.256,20 3.959,21 4.131,22 3.202,23 3.38,24 5.134,25 3.298,26 3.935,27 4.121,28 2.992,29 3.215,30 5.157,31 3.119,32 3.794,33 4.022,34 2.693,35 3.01,36 4.866,37 2.884,38 3.486,39 3.74,40 2.398,41 2.713,42 4.419,43 2.571,44 3.14,45 3.348,46 2.315,47 2.314,48 4.447,49 2.267,50 2.933,51 3.074,52 2.106,53 1.903,54 4.536,55 1.956,56 0.023,57 0.27,58 4.222,59 2.28,60 6.979,61 2.642,62 0.111,63 0.418,64 6.706,65 3.556,66 25.913,67 4.364,68 0.051,69 0.554,70 10.033,71 4.772,72 15.393,73 6.048,74 0.11,75 0.539,76 10.617,77 4.597,78 26.559,79 5.584,80 0.122,81 0.479,82 10.083,83 4.136,84 28.979,85 5.267,86 0.042,87 0.359,88 7.405,89 3.166,90 12.2,91 4.378,92 0.028,93 0.24,94 5.013,95 2.056,96 8.141,97 2.595,98 0.091,99 0.178,100 4.22,101 1.407,102 20.862,103 1.212,104 6,105 21,106 0.26,107 0.43,108 0.518,109 0.681,110 0.794,111 0.794,112 2.794,113 0.874,114 -4.48,115 -4.41,116 -4.15,118 52,137 9,138 3,150 1,158 1,161 1,162 13,163 1,166 1,169 1,171 1,174 16,175 2,179 2,184 2,187 14,188 2,192 2,197 2,200 10,201 1,204 1,209 1,212 8,213 1,217 1,222 1,225 4,226 2,231 2,236 2,239 1,240 2,245 2,250 2,254 1,259 1,264 1,272 206,273 10.121,274 10.121,275 10.121,276 10.121,277 10.121,278 8.565,279 2.278,280 6.132,281 10.126,282 7.889,283 7.889,284 7.889,285 7.889,286 7.889,287 5.639,288 1.651,289 2.894,290 7.894,291 3.333,292 2.473,293 2.032,294 1.211,295 0.64,296 0.64,297 3.444,300 1,301 1,302 218,303 2.121,307 94.486,314 1.2,315 12.79,318 1,319 0.83,320 0.83,321 0.6,323 1,324 1,325 0.75,326 32,327 105,328 4.275,329 3.576,330 6.155,331 3.898,332 2.897,333 3.922,334 1.437,335 9.083,336 2.896,337 4.001,338 2.843,339 5.887,340 3.642,341 2.64,342 3.488,344 8.066,345 2.634,346 3.373,347 2.126,348 4.503,349 2.887,350 1.886,351 2.747,353 4.645,354 1.884,355 2.868,356 1.715,357 3.773,358 2.372,359 1.368,360 1.965,362 3.042,363 1.362,364 2.522,365 1.128,366 3.455,367 2.004,368 1,369 1.5,371 2.446,372 1,373 2.5,374 1,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 2.5,383 1,384 3.247,385 2,386 1,387 1.481,389 2.136,390 0.996,391 1.044,392 0.448,393 2.383,394 0.637,395 -0.368,396 -0.485,398 -0.85,399 -0.366,400 0.607,401 -0.312,402 2,403 0.124,404 -0.886,405 -1.197,407 -1.962,408 -0.874,409 0.5,410 -0.855,411 1.787,413 -1,414 -1.439,416 -2,417 -0.982,418 0.5,419 -1,420 1.555,422 -1,423 -1.5,425 -2.347,426 -1,427 0.414,428 -1,429 1.111,430 -0.018,431 -1,432 -1.5,434 -3,435 -1,436 -0.462,437 -1.529,438 1,439 -0.647,440 -1.64,441 -2.047,443 -4.789,444 -1.651,445 -0.5,446 -1.879,447 0.945,448 -0.899,449 -1.897,450 -2.434,452 -5.275,453 -1.9,454 -0.5,455 -2,456 0.586,457 -1,458 -2,459 -3,461 -5.367,462 -2,463 7.167,464 0.478,465 0.315,466 0.021,467 22,468 1.467,469 13.5,470 0.9,471 8.5,472 0.567,473 7.116,474 0.474,475 15.033,476 0.601,477 13.331,478 0.889,479 4.662,480 0.311,481 2.609,482 0.174,483 0.093,485 0.279,490 0.732,491 0.814,492 0.752,493 0.81,494 0.738,495 0.789,496 0.337,497 1.008,498 0.847,499 1.024,500 0.379,501 1.024,502 0.616,503 1.072,504 0.926,505 1.078,506 0.615,507 1.06,508 1.072,509 1.115,510 1.159,511 1.123,512 1.055,513 1.15,514 0.96,515 0.917,516 1.067,517 0.934,518 1,519 1.003,520 0.389,521 0.99,522 0.814,523 1,524 0.433,525 0.984,526 1.01,527 1.139,528 0.762,529 1.097,530 0.943,531 0.926,532 3.146,533 1.087,534 1.424,535 1.017,536 3.037,537 0.942,538 2.5,540 1.778,541 0.688,542 0.333,543 0.375,544 0.242,545 0.109,546 0.054,547 0.031,548 1632,549 5173,550 2.032,551 40,553 9,556 1,561 1.526,562 1.915,563 2.847,564 -0.33,568 1,570 32.771,571 1.311,572 2.171,573 2.612,574 3.433,575 4.004,576 4.004,577 2.322,578 3.057,579 3.878,580 2.937,581 308.4,582 6.477,583 2513.26,585 1,588 116.096,589 1.338,590 3.843,591 0.156,593 0.085,594 0.034,595 0.022,596 0.034,597 0.03,598 0.016,599 0.011,600 0.016,601 0.404,602 0.83,603 1,604 0.909,605 58.889,606 -0.078,607 0.116,608 -0.013,609 0.11,610 -0.125,611 0.069,612 0.269,613 -0.081,614 -0.08,615 -0.1,616 0.231,617 -0.141,618 0.007,619 -0.128,620 -0.044,621 -0.125,622 0.036,623 -0.099,624 -0.113,625 -0.16,626 -0.198,627 -0.167,628 -0.096,629 -0.192,630 -0.093,631 0.057,632 -0.045,633 0.052,634 -0.132,635 0.019,636 0.117,637 -0.02,638 0.203,639 0.001,640 0.083,641 0.095,642 0.093,643 -0.173,644 0.296,645 -0.126,646 0.163,647 0.074,648 -0.471,649 -0.099,650 -0.228,651 -0.095,652 -0.392,653 -0.115,654 2.561,655 3.649,656 0.8,657 9.28,658 1.003,659 1.1,660 3.25,661 10.564,662 0.709,663 2.833,664 3.091,665 3.296,666 3.434,667 3.611,668 3.555,669 3.611,670 3.367,671 3.219,672 3.045,673 4.263,674 0.683,675 198.23,676 2.833,677 4.317,678 5.13,679 5.964,680 6.795,681 7.634,682 8.471,683 9.312,684 10.152,685 10.994,701 9,706 3,708 12,716 1,724 25,726 13,727 2,728 16,730 26,731 13,732 12,733 3,734 9,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,767 10,768 2,769 1,770 2,777 1,778 2,789 2,808 1,810 2,819 15,826 1,839 8,841 1,842 1,846 7.833,847 4.367,848 3.389,849 1.383,850 2.358,851 1.414,852 0.949,853 2.613,854 8.059,855 3.178,856 3.738,857 4.29,858 4.808,859 5.348,860 5.476,861 5.901,862 6.019,863 6.241,864 6.423,865 0.8,866 20,867 5.493,868 -0.001,869 2.283,870 0.006,871 8.011,872 10.249,874 8.095,876 2.511,877 37.667,878 0.002,881 105.94,882 95.753,885 67.828,888 95.753,889 173.768,893 85.286,894 68.738,895 9.557,897 105.94,899 105.94,900 95.753,901 67.828,904 105.94,905 67.828,909 95.753,912 105.94,913 67.828,914 95.753,917 105.94,918 10.467,919 85.286,921 67.828,922 105.94,923 67.828,924 95.753,926 0.57,927 0.325,928 0.16,929 0.085,930 10,931 4,932 0.077,933 2,935 1,936 2.779,937 93.155,939 12,940 50.603,944 9.626,945 4.072,946 2.116,948 67.828,949 16.731,954 2.435,956 42.683,957 269.521,958 23,962 10.649,965 -0.894,967 25.073,968 27.495,969 0.282,970 0.468,971 0.562,972 0.739,973 0.862,974 0.862,975 4.344,976 -0.368,977 5.081,978 2.136,979 3.761,980 4.419,981 1.635,982 5.814,983 3.759,984 5.535,985 -0.886,986 6.597,987 -0.85,988 3.219,989 3.98,991 6.613,992 3.209,993 6.812,994 -1,995 8.219,996 -1.962,997 5.273,998 6.556,999 2.253,1000 9.638,1001 5.271,1002 8.127,1003 -1,1004 9.903,1005 -2,1006 5.565,1007 6.929,1009 11.273,1010 5.555,1011 9.471,1012 -1,1013 11.626,1014 -2.347,1015 7.076,1016 8.953,1017 2.922,1018 13.773,1019 7.072,1020 10.839,1021 -1.64,1022 13.376,1023 -3,1024 7.751,1025 9.73,1027 15.726,1028 7.743,1029 12.222,1030 -1.897,1031 15.142,1032 -4.789,1033 9.016,1034 11.473,1035 3.619,1036 18.035,1037 9.01,1038 2.897,1039 -2,1040 16.919,1041 -5.275,1042 9.878,1043 12.477,1045 20.119,1046 9.869,1047 2.64,1048 9.083,1049 18.704,1050 -5.367,1051 11.027,1052 14.062,1053 4.33,1054 22.354,1055 11.019,1056 1.886,1057 8.066,1058 20.494,1059 3.922,1060 11.981,1061 15.201,1063 24.496,1064 11.972,1065 1.368,1066 4.645,1067 22.287,1068 3.488,1069 13.076,1070 16.693,1071 5.047,1072 26.703,1073 13.066,1074 1,1075 3.042,1076 24.083,1077 2.747,1078 14.077,1079 17.917,1081 28.871,1082 14.066,1083 1,1084 2.446,1085 25.881,1086 1.965,1087 15.146,1088 19.354,1089 5.769,1090 31.068,1091 15.136,1092 1,1093 2.275,1094 27.681,1095 1.5,1096 16.171,1097 20.629,1099 33.249,1100 16.16,1101 1680,1102 3057,1103 10.633,1104 17.716,1105 23.952,1106 24.41,1107 24.12,1108 23.605,1109 23.582,1110 33.205,1111 2.873,1112 63.385,1113 23.545,1114 4.916,1115 5.576,1116 5.957,1117 4.898,1118 4.897,1119 6.922,1120 2.873,1121 15.187,1122 4.896,1123 6.325,1124 1.497,1125 1.526,1126 1.508,1127 1.475,1128 1.474,1129 2.075,1130 0.18,1131 3.962,1132 1.472,1133 4.005,1134 4.026,1135 3.952,1136 3.959,1137 7.475,1138 3.954,1139 3.768,1140 3.793,1141 3.7,1142 3.698,1143 6.351,1144 3.694,1145 3.27,1146 3.257,1147 3.223,1148 3.052,1149 4.825,1150 3.086,1151 2.854,1152 2.925,1153 2.702,1154 2.735,1155 4.574,1156 2.715,1157 2.854,1158 2.925,1159 2.687,1160 2.735,1161 3.678,1162 2.715,1163 2.811,1164 2.851,1165 2.687,1166 2.625,1167 3.674,1168 2.645,1169 2.38,1170 2.449,1171 2.211,1172 2.16,1173 3.674,1174 2.174,1175 2.009,1176 2.048,1177 1.79,1178 1.333,1179 3.187,1180 1.422,1181 0.267,1182 0.223,1183 0.385,1184 0.244,1185 0.181,1186 4.275,1187 0.245,1188 3.576,1189 0.09,1190 6.155,1191 0.568,1192 3.898,1193 0.181,1194 2.897,1195 3.922,1196 1.437,1197 9.083,1198 2.896,1199 1.992,1200 1.972,1201 2.089,1202 2.055,1203 1.192,1204 2.067,1205 1.767,1206 1.741,1207 1.895,1208 1.862,1209 0.952,1210 1.873,1211 1.13,1212 1.13,1213 1.242,1214 1.406,1215 0.303,1216 1.339,1217 0.886,1218 0.821,1219 1.181,1220 1.062,1221 0.218,1222 1.107,1223 0.886,1224 0.821,1225 1.181,1226 1.062,1227 0.218,1228 1.107,1229 0.759,1230 0.727,1231 1,1232 0.986,1234 1.003,1235 0.345,1236 0.288,1237 0.71,1238 0.642,1240 0.673,1243 0.381,1244 0.371,1246 0.324,1247 3.497,1249 4.762,1251 6.24,1253 7.802,1255 9.402,1262 8.746,1272 17.064,1273 32.771,1274 54.283,1275 65.302,1276 85.832,1277 100.096,1278 100.096,1279 19.525,1280 5.7,1281 37.3,1282 37.3,1283 12,1284 11.558,1285 3.807,1286 3,1287 23.709,1288 38,1289 31,1290 0.322,1291 108.185,1292 186.04,1293 255.731,1294 1664,1296 10.673,1297 0.712,1298 0.537,1299 10.673,1300 8.052,1301 7.271,1302 0.454,1303 0.291,1304 4.631,1305 7.129,1306 4.523,1307 3.782,1308 7.271,1309 4.66,1310 6.317,1311 0.301,1312 0.155,1313 6.317,1314 3.249,1315 5.076,1316 0.195,1317 0.086,1318 5.076,1319 2.239,1320 3.889,1321 0.13,1322 0.048,1323 3.889,1324 1.436,1325 2.986,1326 0.083,1327 0.026,1328 2.986,1329 0.942,1330 0.49,1331 44.78,1332 0.307,1333 15.283,1334 0.915,1335 74,1336 225.885,1337 78.428,1338 223.013,1339 296.39,1340 206,1341 84,1342 208.667,1343 87.322,1344 214.934,1345 308.34,1346 202,1347 5.3}
{0 CHEMBL10811,1 1.609,2 15.432,3 5.122,4 26.23,5 142.511,6 7.672,7 0.45,8 4.303,9 4.409,10 3.996,11 3.888,12 5.396,13 3.842,14 4.825,15 4.982,16 4.283,17 4.253,18 6.127,19 4.182,20 5.076,21 5.254,22 4.408,23 4.434,24 6.201,25 4.334,26 5.221,27 5.408,28 4.484,29 4.466,30 6.419,31 4.376,32 5.284,33 5.471,34 4.359,35 4.412,36 6.717,37 4.331,38 5.193,39 5.438,40 4.26,41 4.357,42 6.289,43 4.248,44 5.094,45 5.284,46 4.175,47 4.289,48 6.345,49 4.207,50 5.085,51 5.315,52 4.019,53 4.218,54 6.204,55 4.114,56 0.128,57 0.977,58 16.653,59 6.797,60 24.675,61 8.22,62 0.537,63 1.535,64 27.3,65 11.369,66 91.508,67 14.495,68 0.463,69 1.919,70 37.771,71 14.659,72 79.105,73 17.981,74 0.505,75 2.128,76 53.011,77 17.802,78 105.65,79 20.835,80 1.25,81 2.111,82 47.854,83 15.47,84 252.082,85 18.75,86 0.508,87 1.956,88 48.457,89 16.779,90 98.334,91 21.528,92 0.521,93 1.757,94 38.491,95 14.103,96 107.313,97 17.419,98 0.671,99 1.675,100 39.21,101 13.842,102 130.316,103 17.841,104 66,105 58,106 0.252,107 0.581,108 0.738,109 0.811,110 0.837,111 0.837,112 3.642,113 1.02,114 -4.22,115 -4.16,116 -3.93,118 41.2,119 3,120 3,126 2,137 10,138 6,139 2,150 1,151 1,158 1,161 1,162 20,165 1,169 5,170 1,171 5,172 1,174 24,175 1,179 5,182 1,183 1,184 6,187 22,188 1,192 15,193 2,197 13,200 14,201 2,203 2,204 8,207 2,209 9,212 9,213 4,217 12,222 10,225 15,226 5,231 11,236 9,239 15,240 2,245 6,250 7,253 19,254 3,259 6,264 5,267 17,268 1,272 2702,273 24.004,274 24.004,275 24.004,276 24.004,277 24.004,278 21.139,279 25.624,280 13.844,281 24.253,282 19.742,283 19.742,284 19.742,285 19.742,286 19.742,287 15.342,288 30.519,289 6.593,290 20.177,291 4.479,292 2.374,293 1.371,294 0.901,295 0.739,296 0.739,297 4.32,301 1,302 1219,303 4.848,304 82.099,307 439.476,314 2.367,315 53.303,318 0.75,319 0.83,320 0.67,321 0.9,322 0.5,323 0.83,324 1,325 0.78,326 80.5,327 571,328 4.927,329 4.731,330 7.507,331 4.418,332 3.491,333 4.788,334 2.374,335 13.338,336 3.213,337 4.291,338 3.743,339 6.178,340 3.92,341 2.926,342 3.947,343 1.656,344 9.211,345 2.911,346 4.102,347 3.567,348 6.061,349 3.773,350 2.786,351 3.715,352 0.247,353 8.684,354 2.745,355 3.972,356 2.932,357 5.757,358 3.705,359 2.731,360 3.47,361 0.159,362 7.809,363 2.652,364 3.853,365 2.821,366 5.629,367 3.56,368 2.569,369 3.071,371 7.732,372 2.536,373 3.726,374 2.7,375 5.388,376 3.431,377 2.45,378 2.928,380 7.081,381 2.395,382 3.54,383 2.655,384 5.229,385 3.232,386 2.238,387 2.761,389 6.492,390 2.213,391 3.301,392 2.355,393 4.941,394 2.929,395 1.925,396 2.57,398 5.487,399 1.921,400 3.295,401 2.18,402 4.879,403 2.906,404 1.906,405 2.481,407 5.225,408 1.904,409 3.232,410 2.147,411 4.708,412 2.879,413 1.879,414 2.403,416 5.184,417 1.879,418 2.871,419 1.914,420 4.257,421 2.425,422 1.429,423 2.008,425 3.887,426 1.419,427 2.605,428 1.508,429 3.833,430 2.146,431 1.15,432 1.647,434 2.677,435 1.139,436 2.5,437 1.129,438 3.486,439 2.024,440 1.035,441 1.5,443 2.506,444 1.009,445 2.402,446 1,447 3.414,448 2,449 1,450 1.291,452 2.275,453 1,454 1.373,455 0.886,456 3.4,457 1.206,458 0.257,459 0.269,461 0.662,462 0.243,463 17.7,464 0.478,465 1.245,466 0.034,467 47,468 1.27,469 24.5,470 0.662,471 22.5,472 0.608,473 35.152,474 0.95,475 40.5,476 0.596,477 41.934,478 1.133,479 9.041,480 0.244,481 8.472,482 0.229,483 0.179,484 0.047,485 0.339,490 0.635,491 1.197,492 0.845,493 1.135,494 0.67,495 0.944,496 0.393,497 1.064,498 0.821,499 1.006,500 0.424,501 0.985,502 0.921,503 1.061,504 1.056,505 1.046,506 0.928,507 1.046,508 1.097,509 1.287,510 1.354,511 1.403,512 1.1,513 1.076,514 1.602,515 0.98,516 1.196,517 0.943,518 1.617,519 1.08,520 0.884,521 0.9,522 0.917,523 0.946,524 0.825,525 0.817,526 1.352,527 1.075,528 1.071,529 1.076,530 1.339,531 1.102,532 1.326,533 0.814,534 0.879,535 0.753,536 1.335,537 0.885,538 10.5,539 0.267,540 4.5,541 3.903,542 2.219,543 1.566,544 1.022,545 0.677,546 0.475,547 0.338,548 22645,549 61684,550 2.001,551 45.6,552 9,553 12,556 4,558 6,561 1.778,562 1.827,563 3.842,564 1.471,570 109.397,571 1.609,572 3.713,573 4.716,574 5.186,575 5.348,576 5.348,577 3.345,578 4.649,579 5.18,580 4.073,581 2712.86,582 9.099,583 45956.7,588 413.947,589 1.668,590 5.109,591 0.262,592 0.008,593 0.082,594 0.067,595 0.036,596 0.03,597 0.019,598 0.014,599 0.011,600 0.009,601 0.538,602 0.17,603 0.88,604 0.759,605 206.804,606 0.009,607 0.004,608 0.154,609 0.018,610 -0.116,611 0.064,612 0.358,613 0.042,614 0.094,615 0.023,616 0.272,617 0.005,618 -0.051,619 0.024,620 -0.029,621 0.015,622 -0.095,623 -0.058,624 -0.054,625 -0.236,626 -0.071,627 -0.213,628 -0.031,629 -0.065,630 -0.113,631 0.022,632 -0.228,633 -0.031,634 -0.035,635 -0.175,636 0.003,637 0.05,638 0.148,639 0.086,640 0.052,641 0.203,642 -0.179,643 -0.106,644 -0.157,645 -0.128,646 -0.107,647 -0.14,648 -0.185,649 0.089,650 -0.011,651 0.14,652 -0.171,653 0.087,654 4.96,655 6.091,656 0.568,657 45.056,658 1.006,659 1.122,660 2.988,661 8.926,662 0.671,663 3.714,664 4.078,665 4.248,666 4.511,667 4.635,668 4.691,669 4.71,670 4.812,671 4.883,672 4.949,673 8.903,674 0.635,675 521.69,676 3.714,677 5.283,678 6.125,679 7.02,680 7.874,681 8.771,682 9.63,683 10.528,684 11.39,685 12.289,686 4.4,688 1,693 2,701 10,706 8,708 18,724 68,726 22,727 3,728 40,730 71,731 28,732 18,733 8,734 10,737 4,738 4,742 1,743 3,746 3,749 5,751 20,752 8,754 4,756 1,758 4,761 2,767 31,768 8,769 4,770 9,771 1,773 3,777 1,778 5,786 1,789 3,800 1,808 1,810 4,813 1,815 3,819 37,823 1,826 1,827 3,828 3,831 2,839 7.4,841 1,842 4,846 20.25,847 12.783,848 7.903,849 3.967,850 3.279,851 1.417,852 0.966,853 8.029,854 11.143,855 3.989,856 4.61,857 5.048,858 5.608,859 6.06,860 6.278,861 6.513,862 6.842,863 7.102,864 7.408,865 1,866 58,867 14.146,869 6.496,870 0.006,871 7.993,872 25.982,874 21.833,876 2.493,877 92.25,881 317.82,882 163.256,883 52.426,885 137.286,887 5.807,888 157.448,889 455.106,890 52.426,891 26.476,892 43.625,893 116.975,894 138.196,895 23.421,896 4.276,897 317.82,899 317.82,900 209.875,901 137.286,902 5.807,904 247.193,905 207.913,908 86.506,909 123.369,910 5.807,912 317.82,913 189.713,914 163.256,916 5.807,917 317.82,918 36.21,919 121.238,920 52.426,921 137.286,922 317.82,923 189.713,924 163.256,926 0.596,927 0.323,928 0.174,929 0.088,930 27,931 14,932 0.127,933 9,935 1,936 4.685,937 347.271,939 21,940 178.75,943 1,944 26.869,945 11.056,946 7.195,948 189.713,949 18.22,954 5.298,956 95.11,957 670.788,958 53,960 -4.043,962 50.173,965 -1.48,967 68.389,968 76.275,969 0.264,970 0.61,971 0.775,972 0.852,973 0.879,974 0.879,975 5.255,976 1.925,977 6.159,978 6.492,979 4.762,980 5.298,981 2.702,982 7.006,983 4.716,984 6.507,985 1.906,986 7.751,987 5.487,988 4.635,989 5.407,990 2.462,991 8.169,992 4.539,993 7.856,994 1.879,995 9.45,996 5.225,997 6.444,998 7.558,999 3.92,1000 11.202,1001 6.322,1002 9.237,1003 1.429,1004 11.214,1005 5.184,1006 7.04,1007 8.419,1008 4.306,1009 13.211,1010 6.84,1011 10.65,1012 1.15,1013 13.023,1014 3.887,1015 8.43,1016 10.166,1017 5.406,1018 15.893,1019 8.197,1020 12.087,1021 1.035,1022 14.868,1023 2.677,1024 9.352,1025 11.381,1026 6.055,1027 18.264,1028 9.024,1029 13.546,1030 1,1031 16.742,1032 2.506,1033 10.603,1034 12.989,1035 7.02,1036 20.865,1037 10.224,1038 3.491,1039 0.257,1040 18.64,1041 2.275,1042 11.682,1043 14.379,1044 7.787,1045 23.376,1046 11.202,1047 2.926,1048 13.338,1049 20.559,1050 0.662,1051 12.894,1052 15.941,1053 8.694,1054 25.963,1055 12.345,1056 2.786,1057 9.211,1058 22.497,1059 4.788,1060 14.049,1061 17.416,1062 9.514,1063 28.524,1064 13.398,1065 2.731,1066 8.684,1067 24.448,1068 3.947,1069 15.259,1070 18.967,1071 10.398,1072 31.111,1073 14.525,1074 2.569,1075 7.809,1076 26.413,1077 3.715,1078 16.454,1079 20.484,1080 11.242,1081 33.69,1082 15.618,1083 2.45,1084 7.732,1085 28.387,1086 3.47,1087 17.671,1088 22.035,1089 12.115,1090 36.278,1091 16.745,1092 2.238,1093 7.081,1094 30.37,1095 3.071,1096 18.888,1097 23.574,1098 12.97,1099 38.864,1100 17.86,1101 21637,1102 35922,1103 25.66,1104 45.597,1105 60.253,1106 63.224,1107 62.645,1108 59.77,1109 59.802,1110 77.992,1111 8.873,1112 177.242,1113 58.602,1114 5.882,1115 6.731,1116 7.054,1117 5.48,1118 5.491,1119 7.788,1120 3.984,1121 21.264,1122 5.213,1123 23.472,1124 1.506,1125 1.581,1126 1.566,1127 1.494,1128 1.495,1129 1.95,1130 0.222,1131 4.431,1132 1.465,1133 4.118,1134 4.112,1135 4.739,1136 4.102,1137 7.717,1138 4.034,1139 4.01,1140 4.028,1141 3.969,1142 3.965,1143 7.474,1144 3.953,1145 3.894,1146 3.948,1147 3.799,1148 3.764,1149 7.431,1150 3.761,1151 3.808,1152 3.843,1153 3.774,1154 3.726,1155 6.999,1156 3.718,1157 3.706,1158 3.713,1159 3.712,1160 3.627,1161 6.351,1162 3.566,1163 3.485,1164 3.477,1165 3.476,1166 3.325,1167 4.835,1168 3.317,1169 3.35,1170 3.391,1171 3.284,1172 3.125,1173 4.686,1174 3.117,1175 3.266,1176 3.35,1177 3.067,1178 3.068,1179 4.605,1180 3.101,1181 0.123,1182 0.118,1183 0.188,1184 0.11,1185 0.087,1186 4.927,1187 0.12,1188 4.731,1189 0.059,1190 7.507,1191 0.333,1192 4.418,1193 0.08,1194 3.491,1195 4.788,1196 2.374,1197 13.338,1198 3.213,1199 2.017,1200 2.017,1201 2.099,1202 2.085,1203 1.309,1204 2.112,1205 1.995,1206 1.977,1207 2.062,1208 2.056,1209 1.253,1210 2.074,1211 1.807,1212 1.776,1213 1.932,1214 1.925,1215 1.102,1216 1.929,1217 1.597,1218 1.594,1219 1.681,1220 1.778,1221 0.873,1222 1.785,1223 1.394,1224 1.371,1225 1.639,1226 1.671,1227 0.825,1228 1.645,1229 1.361,1230 1.316,1231 1.629,1232 1.55,1233 0.814,1234 1.578,1235 1.303,1236 1.226,1237 1.558,1238 1.507,1239 0.749,1240 1.557,1241 1.176,1242 1.124,1243 1.513,1244 1.414,1245 0.719,1246 1.454,1247 4.394,1248 1.946,1249 5.746,1250 3.714,1251 7.274,1252 5.416,1253 8.886,1254 7.101,1255 10.543,1257 5.284,1262 9.755,1263 2.006,1264 8.098,1267 -1.062,1272 43.2,1273 109.397,1274 252.512,1275 320.689,1276 352.663,1277 363.683,1278 363.683,1279 106.199,1280 7.863,1281 124.6,1282 132.98,1283 21,1284 12.819,1285 4.524,1286 3.807,1287 65.142,1288 200,1289 202,1290 0.156,1291 269.076,1292 477.24,1293 648.306,1294 31656,1296 26.742,1297 0.723,1298 0.591,1299 26.992,1300 21.854,1301 17.513,1302 0.438,1303 0.34,1304 12.123,1305 16.27,1306 11.591,1307 9.668,1308 18.334,1309 13.598,1310 17.083,1311 0.295,1312 0.194,1313 18.346,1314 11.245,1315 12.305,1316 0.178,1317 0.112,1318 13.435,1319 7.717,1320 10.931,1321 0.121,1322 0.067,1323 12.335,1324 6.001,1325 7.614,1326 0.075,1327 0.034,1328 8.588,1329 3.477,1330 0.253,1331 117.218,1332 0.197,1333 34.259,1334 0.409,1335 196,1336 580.951,1337 249.825,1338 585.268,1339 779.56,1340 536,1341 228,1342 533.35,1343 291.327,1344 580.784,1345 840.25,1346 542,1347 6.131}
{0 CHEMBL12,1 1.587,2 6.55,3 3.385,4 11.457,5 79.962,6 8.629,7 0.545,8 3.601,9 3.702,10 3.304,11 3.249,12 4.749,13 3.22,14 4.1,15 4.251,16 3.684,17 3.627,18 5.231,19 3.584,20 4.359,21 4.514,22 3.849,23 3.816,24 5.554,25 3.762,26 4.401,27 4.571,28 3.76,29 3.8,30 5.546,31 3.726,32 4.445,33 4.651,34 3.745,35 3.777,36 5.54,37 3.679,38 4.367,39 4.588,40 3.653,41 3.663,42 5.452,43 3.529,44 4.134,45 4.346,46 3.261,47 3.334,48 5.354,49 3.156,50 3.642,51 3.93,52 2.256,53 2.653,54 4.603,55 2.405,56 0.011,57 0.437,58 4.942,59 2.727,60 4.202,61 3.408,62 0.129,63 0.732,64 10.371,65 4.496,66 12.041,67 5.669,68 0.216,69 0.918,70 16.083,71 6.2,72 29.372,73 7.574,74 0.168,75 0.947,76 16.155,77 6.562,78 29.259,79 7.978,80 0.227,81 0.978,82 18.511,83 7.145,84 30.201,85 9.251,86 0.165,87 0.849,88 19.192,89 7.312,90 30.442,91 9.353,92 0.313,93 0.596,94 23.586,95 6.264,96 47.211,97 7.505,98 0.142,99 0.379,100 12.946,101 3.989,102 24.132,103 5.194,104 10,105 31,106 0.292,107 0.586,108 0.72,109 0.832,110 0.847,111 0.847,112 3.06,113 0.915,114 -4.59,115 -4.51,116 -4.24,118 48.5,123 1,124 1,137 8,138 2,139 2,149 1,150 1,162 8,165 1,166 4,174 11,178 2,179 5,187 10,192 6,200 5,204 9,212 7,217 4,225 7,231 4,239 5,245 1,253 2,272 432,273 13.483,274 13.483,275 13.483,276 13.483,277 13.483,278 11.691,279 13.513,280 7.927,281 13.746,282 10.833,283 10.833,284 10.833,285 10.833,286 10.833,287 8.134,288 18.186,289 3.755,290 11.286,291 3.458,292 1.867,293 1.137,294 0.531,295 0.447,296 0.447,297 3.738,298 1,299 1,300 1,301 1,302 279,303 1.871,307 90.369,308 48.391,312 77.125,314 0.995,315 16.992,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 42.333,327 131,328 4.541,329 3.771,330 6.831,331 4.189,332 3.217,333 4.158,334 1.988,335 11.294,336 3.126,337 4.04,338 3.224,339 6.197,340 3.697,341 2.722,342 3.567,343 0.701,344 8.98,345 2.648,346 3.793,347 2.881,348 5.543,349 3.39,350 2.436,351 3.089,352 0.485,353 7.055,354 2.329,355 3.422,356 2.619,357 4.939,358 2.938,359 2.012,360 2.744,362 5.631,363 1.846,364 3.299,365 2.092,366 4.755,367 2.846,368 1.877,369 2.528,371 4.973,372 1.727,373 2.772,374 1.569,375 3.907,376 2.325,377 1.329,378 1.887,380 3.109,381 1.322,382 2.554,383 1.366,384 3.633,385 2.036,386 1.074,387 1.506,389 2.618,390 1.025,391 2.5,392 1.186,393 3.397,394 2,395 1,396 1.5,398 2.136,399 1,400 2.034,401 1,402 3.247,403 1.617,404 0.649,405 0.832,407 1.644,408 0.611,409 1.434,410 0.708,411 2.949,412 1.16,413 0.179,414 0.213,416 0.434,417 0.172,418 1.038,419 0.359,420 2.374,421 0.581,422 -0.286,423 -0.348,425 -0.653,426 -0.201,427 0.708,428 -0.193,429 2.315,430 0.253,431 -0.724,432 -0.954,434 -1.708,435 -0.678,436 0.663,437 -0.612,438 2,439 0.143,440 -0.859,441 -1.222,443 -2.347,444 -0.835,445 0.5,446 -0.749,447 1.841,449 -1,450 -1.422,452 -2.391,453 -0.953,454 0.14,455 -0.915,456 1.555,457 -0.232,458 -1.17,459 -1.5,461 -3,462 -1,463 9.848,464 0.492,465 0.507,466 0.025,467 28.25,468 1.413,469 15.5,470 0.775,471 12.75,472 0.638,473 13.427,474 0.671,475 20.152,476 0.611,477 19.407,478 0.97,479 5.777,480 0.289,481 3.888,482 0.194,483 0.157,485 0.345,490 0.587,491 1.217,492 0.558,493 0.889,494 0.544,495 0.834,496 0.739,497 0.989,498 0.65,499 0.753,500 0.618,501 0.775,502 1.022,503 1.04,504 0.936,505 0.943,506 0.994,507 0.93,508 1.148,509 1.145,510 0.901,511 1.023,512 1.206,513 1.049,514 0.751,515 1.026,516 0.767,517 1.007,518 0.804,519 1.025,520 0.998,521 0.97,522 0.918,523 0.948,524 1.005,525 0.992,526 1.567,527 0.932,528 2.072,529 1.434,530 1.446,531 1.321,532 1.217,533 0.822,534 1.307,535 1.088,536 1.347,537 1.115,538 3.5,540 2.667,541 1.625,542 1.309,543 0.788,544 0.49,545 0.15,546 0.061,548 3225,549 9871,550 2.077,551 39.4,553 13,561 1.628,562 1.935,563 2.738,564 -0.787,566 1,568 1,570 52.359,571 1.587,572 3.177,573 3.908,574 4.514,575 4.597,576 4.597,577 2.148,578 3.922,579 4.296,580 2.839,581 539.439,582 7.391,583 5365.73,584 1,585 1,586 1,587 1,588 166.465,589 1.441,590 4.248,591 0.159,593 0.086,594 0.045,595 0.041,596 0.027,597 0.021,598 0.012,599 0.015,601 0.407,602 0.83,603 1,604 0.627,605 85.339,606 -0.008,607 -0.172,608 0.023,609 -0.048,610 -0.058,611 -0.008,612 0.03,613 0.096,614 0.051,615 0.111,616 -0.009,617 0.085,618 -0.018,619 -0.003,620 -0.089,621 -0.043,622 -0.012,623 -0.051,624 -0.166,625 -0.131,626 -0.124,627 -0.117,628 -0.136,629 -0.149,630 0.075,631 -0.029,632 0.047,633 -0.069,634 0.011,635 -0.063,636 -0.029,637 -0.054,638 0.123,639 0.068,640 0.015,641 0.035,642 -0.1,643 -0.089,644 -0.369,645 -0.313,646 -0.027,647 -0.261,648 -0.095,649 0.011,650 -0.04,651 0.028,652 -0.092,653 0.037,654 1.695,655 5.024,656 0.85,657 11.4,658 1.005,659 1.11,660 3.355,661 11.257,662 0.724,663 3.135,664 3.466,665 3.761,666 4.025,667 4.304,668 4.419,669 4.466,670 4.454,671 4.419,672 4.407,673 4.248,674 0.689,675 284.76,676 3.135,677 4.673,678 5.533,679 6.418,680 7.302,681 8.196,682 9.087,683 9.984,684 10.878,685 11.777,686 6.1,693 1,695 1,701 8,706 4,708 12,711 1,723 1,724 33,726 14,727 2,728 22,730 35,731 16,732 12,733 4,734 8,735 1,737 3,738 4,739 1,751 14,752 2,754 2,758 1,760 1,761 2,763 1,764 1,767 13,768 3,770 4,771 1,773 2,777 0.667,778 1,789 2,790 1,794 1,799 1,810 2,815 1,816 1,819 20,827 1,832 1,838 1,839 3,842 1,846 10.333,847 6.376,848 4.389,849 1.895,850 2.559,851 1.379,852 1.003,853 3.39,854 9.302,855 3.434,856 4.025,857 4.605,858 5.173,859 5.739,860 5.973,861 6.315,862 6.569,863 6.804,864 7.092,865 1,866 36,867 7.368,869 3.129,870 0.006,871 7.781,872 13.984,874 11.408,876 2.281,877 45.611,878 0.001,881 153.024,882 106.402,883 19.91,884 39.149,885 25.145,888 106.402,889 217.318,890 19.91,891 8.396,892 5.23,893 75.81,894 32.606,895 29.414,897 153.024,898 39.149,899 153.024,900 126.312,901 25.145,902 39.149,904 153.024,905 25.145,908 22.016,909 104.296,910 39.149,912 153.024,913 45.055,914 145.551,917 153.024,918 22.196,919 87.331,921 81.079,922 153.024,923 45.055,924 145.551,926 0.584,927 0.349,928 0.19,929 0.113,930 16,931 7,932 0.029,933 1,934 1,935 1.118,936 3.097,937 158.702,938 0.118,939 17,940 82.439,944 13.042,945 5.198,946 2.413,948 45.055,949 15.349,954 3.339,957 343.63,958 30,962 12.024,964 4.474,965 0.778,967 33.156,968 36.641,969 0.315,970 0.63,971 0.775,972 0.895,973 0.911,974 0.911,975 4.663,976 1,977 5.525,978 2.618,979 4.143,980 4.71,981 2.192,982 6.361,983 4.068,984 5.876,985 0.649,986 7.102,987 2.136,988 3.761,989 4.443,990 1.668,991 7.33,992 3.612,993 7.185,994 0.179,995 8.785,996 1.644,997 5.753,998 6.87,999 3.105,1000 10.471,1001 5.617,1002 8.53,1003 -0.286,1004 10.53,1005 0.434,1006 6.196,1007 7.4,1008 3.205,1009 12.284,1010 6.005,1011 9.906,1012 -0.724,1013 12.315,1014 -0.653,1015 7.665,1016 9.301,1017 4.301,1018 14.952,1019 7.476,1020 11.304,1021 -0.859,1022 14.128,1023 -1.708,1024 8.489,1025 10.227,1026 4.681,1027 17.11,1028 8.256,1029 12.72,1030 -1,1031 15.961,1032 -2.347,1033 9.755,1034 11.889,1035 5.592,1036 19.616,1037 9.513,1038 3.217,1039 -1.17,1040 17.809,1041 -2.391,1042 10.757,1043 13.031,1044 6.113,1045 21.92,1046 10.479,1047 2.722,1048 11.294,1049 19.669,1050 -3,1051 11.946,1052 14.573,1053 6.924,1054 24.369,1055 11.651,1056 2.436,1057 8.98,1058 21.537,1059 4.158,1060 13.031,1061 15.838,1062 7.519,1063 26.737,1064 12.704,1065 2.012,1066 7.055,1067 23.414,1068 3.567,1069 14.195,1070 17.317,1071 8.275,1072 29.165,1073 13.845,1074 1.877,1075 5.631,1076 25.296,1077 3.089,1078 15.319,1079 18.65,1080 8.911,1081 31.562,1082 14.939,1083 1.329,1084 4.973,1085 27.183,1086 2.744,1087 16.476,1088 20.099,1089 9.636,1090 33.984,1091 16.07,1092 1.074,1093 3.109,1094 29.075,1095 2.528,1096 17.619,1097 21.471,1098 10.295,1099 36.394,1100 17.184,1101 3193,1102 5672,1103 14.622,1104 23.892,1105 33.505,1106 34.41,1107 34.434,1108 33.214,1109 32.99,1110 44.05,1111 6.348,1112 95.746,1113 31.61,1114 5.387,1115 5.771,1116 6.633,1117 5.213,1118 5.217,1119 7.158,1120 3.469,1121 18.773,1122 5.126,1123 8.995,1124 1.523,1125 1.564,1126 1.565,1127 1.51,1128 1.5,1129 2.002,1130 0.289,1131 4.352,1132 1.437,1133 4.03,1134 4.057,1135 4.058,1136 3.959,1137 7.427,1138 3.961,1139 3.83,1140 3.861,1141 3.818,1142 3.771,1143 4.961,1144 3.764,1145 3.558,1146 3.596,1147 3.615,1148 3.373,1149 4.778,1150 3.393,1151 3.26,1152 3.344,1153 3.192,1154 3.071,1155 4.484,1156 3.081,1157 3.012,1158 3.059,1159 3.159,1160 2.86,1161 4.215,1162 2.851,1163 2.854,1164 2.925,1165 2.764,1166 2.735,1167 3.898,1168 2.715,1169 2.797,1170 2.85,1171 2.687,1172 2.687,1173 3.674,1174 2.66,1175 2.666,1176 2.718,1177 2.57,1178 2.574,1179 3.582,1180 2.553,1181 0.206,1182 0.171,1183 0.31,1184 0.19,1185 0.146,1186 4.541,1187 0.189,1188 3.771,1189 0.09,1190 6.831,1191 0.513,1192 4.189,1193 0.142,1194 3.217,1195 4.158,1196 1.988,1197 11.294,1198 3.126,1199 1.961,1200 1.94,1201 2.046,1202 2.032,1203 1.169,1204 2.039,1205 1.833,1206 1.807,1207 1.934,1208 1.934,1209 1.035,1210 1.938,1211 1.53,1212 1.481,1213 1.712,1214 1.759,1215 0.828,1216 1.748,1217 1.23,1218 1.166,1219 1.517,1220 1.456,1221 0.609,1222 1.483,1223 0.995,1224 0.93,1225 1.22,1226 1.179,1227 0.341,1228 1.193,1229 0.886,1230 0.821,1231 1.181,1232 1.062,1233 0.218,1234 1.107,1235 0.808,1236 0.751,1237 1.059,1238 0.974,1239 0.141,1240 1.013,1241 0.684,1242 0.633,1243 0.892,1244 0.859,1245 0.031,1246 0.887,1247 3.807,1249 5.13,1251 6.655,1252 2.708,1253 8.27,1254 5.38,1255 9.933,1257 1.762,1258 6.108,1263 0.146,1268 1.63,1272 22.746,1273 52.359,1274 104.855,1275 128.955,1276 148.955,1277 151.71,1278 151.71,1279 28.276,1280 6.743,1281 32.67,1282 32.67,1283 19,1284 12.301,1285 3.907,1286 3.17,1287 29.563,1288 51,1289 50,1290 0.3,1291 144.566,1292 251.36,1293 344.502,1294 6474,1295 3,1296 14.113,1297 0.706,1298 0.588,1299 14.613,1300 11.762,1301 9.665,1302 0.439,1303 0.305,1304 6.298,1305 9.124,1306 6.075,1307 5.037,1308 9.953,1309 6.708,1310 8.722,1311 0.281,1312 0.164,1313 9.13,1314 5.082,1315 7.551,1316 0.18,1317 0.086,1318 7.813,1319 3.604,1320 6.095,1321 0.111,1322 0.045,1323 6.315,1324 2.478,1325 5.192,1326 0.071,1327 0.024,1328 5.463,1329 1.759,1330 0.438,1331 62.817,1332 0.262,1333 19.143,1334 0.932,1335 106,1336 305.229,1337 127.869,1338 330.141,1339 442.95,1340 308,1341 126,1342 301.781,1343 142.831,1344 318.827,1345 466.9,1346 300,1347 4.61}
{0 CHEMBL121772,1 1.39,2 6.438,3 2.685,4 7.211,5 59.647,6 8.24,7 0.706,8 3.368,9 3.441,10 2.99,11 2.983,12 4.691,13 2.977,14 3.762,15 3.851,16 3.318,17 3.328,18 5.205,19 3.3,20 4.022,21 4.169,22 3.354,23 3.414,24 5.302,25 3.369,26 4.044,27 4.201,28 3.251,29 3.287,30 5.553,31 3.233,32 3.925,33 4.125,34 2.99,35 3.128,36 5.151,37 3.055,38 3.703,39 3.899,40 2.816,41 2.874,42 5.011,43 2.815,44 3.504,45 3.679,46 2.536,47 2.458,48 4.99,49 2.456,50 3.117,51 3.33,52 1.826,53 1.858,54 4.536,55 1.825,56 0.073,57 0.292,58 4.278,59 2.412,60 14.25,61 2.519,62 0.141,63 0.444,64 6.405,65 3.711,66 28.984,67 4.233,68 0.138,69 0.584,70 10.122,71 4.927,72 27.111,73 5.769,74 0.374,75 0.584,76 11.486,77 4.889,78 69.359,79 5.687,80 0.217,81 0.53,82 11.159,83 4.496,84 42.563,85 5.407,86 0.139,87 0.422,88 8.698,89 3.58,90 23.334,91 4.359,92 0.206,93 0.325,94 7.638,95 2.649,96 36.238,97 2.683,98 0.186,99 0.217,100 5.888,101 1.768,102 34.219,103 1.789,104 11,105 23,106 0.273,107 0.495,108 0.64,109 0.822,110 0.863,111 0.863,112 2.853,113 0.847,114 -4.42,115 -4.35,116 -4.1,118 50,137 8,138 3,139 1,150 1,158 1,161 1,162 11,163 1,166 1,169 1,171 3,174 14,175 1,179 1,184 3,185 1,187 13,188 2,192 2,195 1,196 1,197 3,200 9,201 2,204 2,209 3,212 6,213 2,217 2,222 4,225 2,226 2,231 2,236 4,240 1,245 1,250 2,272 246,273 10.621,274 10.621,275 10.621,276 10.621,277 10.621,278 9.012,279 4.434,280 6.347,281 10.66,282 8.373,283 8.373,284 8.373,285 8.373,286 8.373,287 6.035,288 3.411,289 2.99,290 8.448,291 3.311,292 2.183,293 1.443,294 0.52,295 0.308,296 0.308,297 3.501,300 1,301 1,302 211,303 2.236,307 99.735,314 1.063,315 20.187,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 35,327 103,328 4.4,329 3.613,330 6.411,331 4.019,332 3.027,333 4.076,334 1.437,335 9.782,336 2.999,337 4.038,338 2.886,339 6.051,340 3.673,341 2.679,342 3.564,344 8.634,345 2.658,346 3.378,347 2.577,348 4.707,349 2.917,350 1.924,351 2.706,353 4.811,354 1.898,355 3.197,356 1.83,357 4.454,358 2.747,359 1.766,360 2.428,362 4.447,363 1.72,364 2.629,365 1.352,366 3.612,367 2.144,368 1.15,369 1.69,371 2.701,372 1.141,373 2.532,374 1.173,375 3.502,376 2.005,377 1,378 1.5,380 2.416,381 1,382 2.5,383 1,384 3.247,385 2,386 1,387 1.475,389 2.136,390 0.994,391 1.278,392 0.487,393 2.577,394 0.902,395 -0.048,396 -0.06,398 -0.11,399 -0.045,400 0.738,401 0.234,402 2.315,403 0.297,404 -0.703,405 -0.923,407 -1.641,408 -0.692,409 0.601,410 -0.643,411 1.922,412 0.126,413 -0.867,414 -1.179,416 -2,417 -0.846,418 0.5,419 -0.777,420 1.555,422 -1,423 -1.432,425 -2.347,426 -0.981,427 0.408,428 -1,429 1.492,430 -0.018,431 -1,432 -1.5,434 -2.524,435 -1,436 -0.043,437 -1.154,438 1.243,439 -0.387,440 -1.325,441 -1.763,443 -3.353,444 -1.246,445 -0.5,446 -1.578,447 1.013,448 -0.725,449 -1.706,450 -2.153,452 -4.789,453 -1.702,454 -0.5,455 -1.879,456 1,457 -0.899,458 -1.897,459 -2.428,461 -5.517,462 -1.898,463 7.5,464 0.469,465 0.404,466 0.025,467 23.25,468 1.453,469 14,470 0.875,471 9.25,472 0.578,473 8.07,474 0.504,475 16.5,476 0.635,477 15.245,478 0.953,479 4.918,480 0.307,481 2.764,482 0.173,483 0.133,485 0.333,490 0.856,491 0.784,492 0.764,493 0.776,494 0.855,495 0.753,496 0.427,497 1.031,498 0.77,499 1.041,500 0.442,501 1.002,502 0.748,503 1.104,504 0.903,505 1.103,506 0.746,507 1.056,508 0.805,509 1.067,510 1.043,511 1.084,512 0.823,513 1.115,514 0.981,515 0.942,516 1.006,517 0.947,518 1.022,519 0.975,520 0.916,521 1.135,522 0.939,523 1.125,524 0.893,525 1.056,526 1.876,527 1.092,528 1.302,529 1.061,530 1.818,531 1.042,532 2.208,533 0.867,534 1.493,535 0.851,536 2.166,537 0.961,538 3,540 2,541 1,542 0.604,543 0.597,544 0.264,545 0.113,546 0.061,548 1789,549 6178,550 1.993,551 38.5,553 8,556 2,561 1.554,562 1.846,563 2.757,564 0.39,568 1,570 36.132,571 1.39,572 2.518,573 3.258,574 4.181,575 4.393,576 4.393,577 2.203,578 3.328,579 3.974,580 2.835,581 340.168,582 6.703,583 2915.88,585 1,587 1,588 122.211,589 1.477,590 3.918,591 0.176,593 0.087,594 0.043,595 0.032,596 0.04,597 0.022,598 0.014,599 0.02,601 0.435,602 0.83,603 1,604 0.953,605 63.645,606 -0.132,607 0.186,608 -0.047,609 0.178,610 -0.175,611 0.107,612 0.187,613 -0.072,614 -0.041,615 -0.087,616 0.176,617 -0.114,618 -0.03,619 -0.148,620 -0.039,621 -0.143,622 -0.023,623 -0.104,624 0.196,625 -0.11,626 -0.084,627 -0.129,628 0.166,629 -0.167,630 -0.092,631 0.02,632 0.008,633 0.027,634 -0.11,635 0.039,636 -0.02,637 -0.181,638 0.078,639 -0.158,640 0.02,641 -0.046,642 -0.314,643 -0.134,644 -0.167,645 -0.125,646 -0.262,647 -0.112,648 -0.44,649 0.1,650 -0.221,651 0.097,652 -0.407,653 0.016,654 2.796,655 3.845,656 0.75,657 8.969,658 1.015,659 1.104,660 3.193,661 10.198,662 0.699,663 2.89,664 3.178,665 3.401,666 3.584,667 3.761,668 3.689,669 3.689,670 3.555,671 3.367,672 3.135,673 4.094,674 0.684,675 214.23,676 2.89,677 4.394,678 5.22,679 6.075,680 6.923,681 7.783,682 8.637,683 9.499,684 10.355,685 11.218,701 8,706 4,708 12,716 1,721 1,724 26,726 13,727 2,728 17,730 27,731 13,732 12,733 4,734 8,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,767 10,768 3,769 2,770 3,777 1,778 3,789 2,808 1,810 2,819 16,826 2,839 11.5,841 2,842 1,846 8.667,847 4.483,848 3.583,849 1.385,850 2.364,851 1.406,852 0.912,853 2.816,854 8.19,855 3.219,856 3.807,857 4.369,858 4.913,859 5.455,860 5.596,861 5.962,862 6.173,863 6.366,864 6.503,865 1,866 23,867 5.88,869 2.51,870 0.006,871 8.208,872 10.724,874 8.512,876 2.708,877 43.333,878 0.001,881 94.169,882 86.277,885 110.512,888 86.277,889 204.68,893 75.81,894 111.421,895 9.557,897 94.169,899 94.169,900 86.277,901 110.512,904 94.169,905 110.512,909 86.277,912 94.169,913 110.512,914 86.277,917 94.169,918 10.467,919 75.81,921 110.512,922 94.169,923 110.512,924 86.277,926 0.577,927 0.334,928 0.174,929 0.092,930 11,931 5,932 0.074,933 2,935 1,936 2.79,937 104.921,939 12,940 60,944 10.553,945 4.269,946 2.188,948 110.512,949 13.971,954 1.398,956 85.367,957 290.957,958 24,962 10.845,965 -1.129,967 26.4,968 28.704,969 0.296,970 0.536,971 0.693,972 0.889,973 0.935,974 0.935,975 4.407,976 -0.048,977 5.198,978 2.136,979 3.85,980 4.489,981 1.635,982 5.979,983 3.831,984 5.619,985 -0.703,986 6.746,987 -0.11,988 3.434,989 4.205,991 6.868,992 3.386,993 6.915,994 -0.867,995 8.4,996 -1.641,997 5.407,998 6.665,999 2.253,1000 9.934,1001 5.374,1002 8.25,1003 -1,1004 10.116,1005 -2,1006 5.802,1007 7.177,1009 11.641,1010 5.741,1011 9.615,1012 -1,1013 11.87,1014 -2.347,1015 7.268,1016 9.115,1017 2.922,1018 14.208,1019 7.218,1020 11.002,1021 -1.325,1022 13.65,1023 -2.524,1024 8.033,1025 10.019,1027 16.233,1028 7.96,1029 12.407,1030 -1.706,1031 15.447,1032 -3.353,1033 9.283,1034 11.706,1035 3.619,1036 18.615,1037 9.215,1038 3.027,1039 -1.897,1040 17.257,1041 -4.789,1042 10.223,1043 12.823,1045 20.772,1046 10.136,1047 2.679,1048 9.782,1049 19.075,1050 -5.517,1051 11.38,1052 14.377,1053 4.33,1054 23.081,1055 11.292,1056 1.924,1057 8.634,1058 20.899,1059 4.076,1060 12.401,1061 15.613,1063 25.297,1064 12.298,1065 1.766,1066 4.811,1067 22.727,1068 3.564,1069 13.519,1070 17.094,1071 5.047,1072 27.578,1073 13.411,1074 1.15,1075 4.447,1076 24.56,1077 2.706,1078 14.579,1079 18.399,1081 29.821,1082 14.458,1083 1,1084 2.701,1085 26.394,1086 2.428,1087 15.682,1088 19.841,1089 5.769,1090 32.092,1091 15.554,1092 1,1093 2.416,1094 28.231,1095 1.69,1096 16.76,1097 21.186,1099 34.349,1100 16.621,1101 1862,1102 3533,1103 11.038,1104 18.171,1105 25.581,1106 25.957,1107 26.085,1108 25.176,1109 25.093,1110 34.877,1111 2.873,1112 69.853,1113 24.82,1114 5.046,1115 5.613,1116 6.213,1117 5.019,1118 5.027,1119 7.076,1120 2.873,1121 16.144,1122 4.999,1123 7.813,1124 1.505,1125 1.527,1126 1.534,1127 1.481,1128 1.476,1129 2.052,1130 0.169,1131 4.109,1132 1.46,1133 4.01,1134 4.027,1135 3.963,1136 3.959,1137 7.475,1138 3.957,1139 3.769,1140 3.791,1141 3.706,1142 3.693,1143 6.469,1144 3.692,1145 3.274,1146 3.263,1147 3.224,1148 3.038,1149 6.35,1150 3.077,1151 2.991,1152 3.018,1153 2.901,1154 2.849,1155 4.798,1156 2.853,1157 2.854,1158 2.925,1159 2.687,1160 2.735,1161 4.47,1162 2.715,1163 2.648,1164 2.694,1165 2.497,1166 2.427,1167 3.674,1168 2.43,1169 2.601,1170 2.658,1171 2.439,1172 2.317,1173 3.635,1174 2.362,1175 2.079,1176 2.152,1177 1.825,1178 1.516,1179 3.54,1180 1.567,1181 0.259,1182 0.213,1183 0.377,1184 0.236,1185 0.178,1186 4.4,1187 0.24,1188 3.613,1189 0.085,1190 6.411,1191 0.575,1192 4.019,1193 0.176,1194 3.027,1195 4.076,1196 1.437,1197 9.782,1198 2.999,1199 1.988,1200 1.971,1201 2.079,1202 2.056,1203 1.19,1204 2.063,1205 1.758,1206 1.737,1207 1.875,1208 1.861,1209 0.939,1210 1.865,1211 1.125,1212 1.125,1213 1.25,1214 1.418,1215 0.252,1216 1.351,1217 0.955,1218 0.921,1219 1.181,1220 1.151,1221 0.226,1222 1.145,1223 0.886,1224 0.821,1225 1.162,1226 1.062,1227 0.218,1228 1.107,1229 0.59,1230 0.536,1231 0.902,1232 0.9,1234 0.892,1235 0.5,1236 0.47,1237 0.807,1238 0.84,1240 0.863,1243 0.497,1244 0.46,1246 0.459,1247 3.555,1249 4.844,1251 6.344,1253 7.934,1255 9.569,1262 18.248,1272 17.778,1273 36.132,1274 65.457,1275 84.702,1276 108.702,1277 114.211,1278 114.211,1279 27.643,1280 5.826,1281 57.53,1282 57.53,1283 12,1284 11.768,1285 3.807,1286 3,1287 25.853,1288 39,1289 34,1290 0.344,1291 112.181,1292 194.83,1293 265.482,1294 1909,1296 11.544,1297 0.721,1298 0.526,1299 11.544,1300 8.421,1301 7.682,1302 0.452,1303 0.282,1304 4.756,1305 7.472,1306 4.658,1307 3.88,1308 7.682,1309 4.8,1310 6.856,1311 0.298,1312 0.148,1313 6.856,1314 3.403,1315 5.471,1316 0.189,1317 0.08,1318 5.471,1319 2.334,1320 4.354,1321 0.124,1322 0.043,1323 4.354,1324 1.518,1325 3.347,1326 0.08,1327 0.024,1328 3.347,1329 1.002,1330 0.512,1331 47.821,1332 0.301,1333 15.95,1334 1.018,1335 80,1336 266.035,1337 86.532,1338 259.27,1339 340.66,1340 238,1341 92,1342 238.697,1343 97.316,1344 244.044,1345 351.92,1346 229,1347 5}
{0 CHEMBL123234,1 1.311,2 6.333,3 2.953,4 8.719,5 57.953,6 7.929,7 0.75,8 3.31,9 3.393,10 2.92,11 2.971,12 4.567,13 2.944,14 3.721,15 3.825,16 3.22,17 3.309,18 5.103,19 3.256,20 3.959,21 4.131,22 3.202,23 3.38,24 5.131,25 3.298,26 3.935,27 4.122,28 3.033,29 3.23,30 5.129,31 3.142,32 3.8,33 4.004,34 2.902,35 3.077,36 4.97,37 2.989,38 3.637,39 3.844,40 2.647,41 2.835,42 4.862,43 2.738,44 3.397,45 3.616,46 2.277,47 2.371,48 4.739,49 2.302,50 2.879,51 3.118,52 1.519,53 1.654,54 4.215,55 1.578,56 0.023,57 0.27,58 4.222,59 2.28,60 6.979,61 2.642,62 0.111,63 0.418,64 6.706,65 3.556,66 25.934,67 4.364,68 0.051,69 0.554,70 10.033,71 4.772,72 15.176,73 6.048,74 0.113,75 0.539,76 10.673,77 4.599,78 28.574,79 5.595,80 0.08,81 0.476,82 9.549,83 4.095,84 21.337,85 5.185,86 0.073,87 0.402,88 8.227,89 3.445,90 18.08,91 4.298,92 0.111,93 0.311,94 7.169,95 2.603,96 25.488,97 2.99,98 0.101,99 0.181,100 4.644,101 1.497,102 22.182,103 1.618,104 6,105 21,106 0.26,107 0.43,108 0.552,109 0.74,110 0.835,111 0.857,112 2.795,113 0.874,114 -4.48,115 -4.41,116 -4.15,118 52,137 9,138 3,150 1,158 1,161 1,162 13,163 1,166 1,169 1,171 1,174 16,175 2,179 2,184 2,187 14,188 2,192 2,197 2,200 10,201 2,204 2,209 2,212 8,213 2,217 2,222 2,225 4,226 2,231 2,236 2,239 1,240 1,245 1,250 1,272 215,273 10.121,274 10.121,275 10.121,276 10.121,277 10.121,278 8.565,279 2.278,280 6.176,281 10.126,282 7.905,283 7.905,284 7.905,285 7.905,286 7.905,287 5.645,288 1.651,289 2.926,290 7.911,291 3.333,292 2.473,293 1.861,294 0.91,295 0.43,296 0.32,297 3.444,300 1,301 1,302 196,303 2.121,307 91.113,314 1.022,315 13.281,318 1,319 0.83,320 0.83,321 0.6,323 1,324 1,325 0.75,326 32,327 95,328 4.307,329 3.579,330 6.208,331 3.932,332 2.932,333 3.956,334 1.437,335 9.282,336 2.93,337 3.954,338 2.844,339 5.837,340 3.589,341 2.587,342 3.437,344 7.906,345 2.582,346 3.355,347 2.117,348 4.491,349 2.872,350 1.871,351 2.705,353 4.583,354 1.868,355 2.911,356 1.664,357 3.76,358 2.427,359 1.424,360 2.06,362 3.092,363 1.421,364 2.535,365 1.228,366 3.458,367 2.006,368 1,369 1.5,371 2.436,372 1,373 2.5,374 1,375 3.426,376 2,377 1,378 1.5,380 2.319,381 1,382 2.5,383 1,384 3.247,385 2,386 1,387 1.472,389 2.136,390 0.994,391 0.921,392 0.435,393 2.406,394 0.507,395 -0.494,396 -0.67,398 -1.162,399 -0.494,400 0.721,401 -0.484,402 2,403 0.251,404 -0.763,405 -1.001,407 -1.893,408 -0.751,409 0.5,410 -0.686,411 1.589,413 -1,414 -1.429,416 -2,417 -0.981,418 0.5,419 -1,420 1.555,422 -1,423 -1.5,425 -2.347,426 -1,427 0.407,428 -1,429 1.362,430 -0.019,431 -1,432 -1.5,434 -2.562,435 -1,436 -0.464,437 -1.562,438 1.008,439 -0.671,440 -1.664,441 -2.12,443 -4.789,444 -1.674,445 -0.5,446 -1.875,447 1,448 -0.895,449 -1.893,450 -2.411,452 -5.24,453 -1.896,454 -0.5,455 -2,456 0.456,457 -1,458 -2,459 -3,461 -5.476,462 -2,463 7.167,464 0.478,465 0.315,466 0.021,467 22,468 1.467,469 13.5,470 0.9,471 8.5,472 0.567,473 7.192,474 0.479,475 15.033,476 0.601,477 13.46,478 0.897,479 4.662,480 0.311,481 2.609,482 0.174,483 0.093,485 0.279,490 0.732,491 0.814,492 0.752,493 0.81,494 0.738,495 0.789,496 0.337,497 1.008,498 0.847,499 1.024,500 0.377,501 1.024,502 0.616,503 1.072,504 0.926,505 1.078,506 0.62,507 1.06,508 1.066,509 1.038,510 1.089,511 1.043,512 1.077,513 1.065,514 0.869,515 1.005,516 0.929,517 1.003,518 0.88,519 0.981,520 1.029,521 1.144,522 1.057,523 1.139,524 1.004,525 1.11,526 1.833,527 1.032,528 1.191,529 1.008,530 1.786,531 0.993,532 2.498,533 0.843,534 1.395,535 0.824,536 2.452,537 0.902,538 2.5,540 1.556,541 0.688,542 0.413,543 0.486,544 0.182,545 0.066,546 0.041,548 1548,549 4853,550 2.032,551 40,553 9,556 1,561 1.532,562 1.915,563 2.758,564 -0.33,568 1,570 32.771,571 1.311,572 2.171,573 2.783,574 3.734,575 4.214,576 4.324,577 2.206,578 3.057,579 3.882,580 2.803,581 294.287,582 6.508,583 2407.97,585 1,588 116.096,589 1.338,590 3.843,591 0.156,593 0.074,594 0.034,595 0.026,596 0.035,597 0.018,598 0.011,599 0.02,601 0.375,602 0.83,603 1,604 0.909,605 58.214,606 -0.078,607 0.116,608 -0.013,609 0.11,610 -0.125,611 0.069,612 0.269,613 -0.081,614 -0.08,615 -0.1,616 0.232,617 -0.141,618 0.007,619 -0.128,620 -0.044,621 -0.125,622 0.031,623 -0.099,624 -0.106,625 -0.08,626 -0.125,627 -0.084,628 -0.118,629 -0.103,630 -0.015,631 -0.043,632 0.056,633 -0.032,634 -0.023,635 0.014,636 -0.038,637 -0.182,638 -0.044,639 -0.172,640 -0.012,641 -0.12,642 -0.198,643 -0.045,644 -0.037,645 -0.035,646 -0.161,647 -0.013,648 -0.388,649 0.172,650 -0.112,651 0.166,652 -0.36,653 0.091,654 2.562,655 3.784,656 0.8,657 7.689,658 1.003,659 1.1,660 3.25,661 10.564,662 0.709,663 2.833,664 3.091,665 3.296,666 3.466,667 3.664,668 3.526,669 3.555,670 3.367,671 3.219,672 2.944,673 3.986,674 0.683,675 198.23,676 2.833,677 4.317,678 5.13,679 5.969,680 6.804,681 7.647,682 8.489,683 9.334,684 10.179,685 11.025,701 9,706 3,708 12,716 1,724 25,726 13,727 2,728 16,730 26,731 13,732 12,733 3,734 9,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,767 10,768 2,769 1,770 2,777 1,778 2,789 2,808 1,810 2,819 15,826 1,839 8,841 1,842 1,846 7.833,847 4.367,848 3.389,849 1.383,850 2.387,851 1.419,852 0.949,853 2.613,854 8.087,855 3.178,856 3.738,857 4.29,858 4.826,859 5.38,860 5.455,861 5.859,862 6.019,863 6.241,864 6.337,865 1,866 20,867 5.498,868 -0.001,869 2.289,870 0.006,871 8.011,872 10.249,874 8.095,876 2.511,877 37.667,878 0.002,881 105.94,882 95.753,885 67.828,888 95.753,889 173.768,893 85.286,894 68.738,895 9.557,897 105.94,899 105.94,900 95.753,901 67.828,904 105.94,905 67.828,909 95.753,912 105.94,913 67.828,914 95.753,917 105.94,918 10.467,919 85.286,921 67.828,922 105.94,923 67.828,924 95.753,926 0.568,927 0.324,928 0.167,929 0.094,930 10,931 4,932 0.077,933 2,935 1,936 2.749,937 94.253,939 12,940 54.603,944 9.626,945 4.072,946 2.116,948 67.828,949 16.651,954 2.271,956 42.683,957 269.521,958 23,962 10.784,965 -0.896,967 25.073,968 27.495,969 0.282,970 0.468,971 0.599,972 0.804,973 0.907,974 0.931,975 4.344,976 -0.494,977 5.081,978 2.136,979 3.761,980 4.419,981 1.635,982 5.82,983 3.759,984 5.535,985 -0.763,986 6.597,987 -1.162,988 3.219,989 3.98,991 6.613,992 3.209,993 6.812,994 -1,995 8.22,996 -1.893,997 5.273,998 6.556,999 2.253,1000 9.667,1001 5.271,1002 8.127,1003 -1,1004 9.906,1005 -2,1006 5.565,1007 6.929,1009 11.3,1010 5.555,1011 9.472,1012 -1,1013 11.632,1014 -2.347,1015 7.081,1016 8.957,1017 2.922,1018 13.832,1019 7.077,1020 10.84,1021 -1.664,1022 13.384,1023 -2.562,1024 7.763,1025 9.742,1027 15.791,1028 7.755,1029 12.226,1030 -1.893,1031 15.154,1032 -4.789,1033 9.033,1034 11.488,1035 3.619,1036 18.128,1037 9.027,1038 2.932,1039 -2,1040 16.935,1041 -5.24,1042 9.907,1043 12.506,1045 20.227,1046 9.898,1047 2.587,1048 9.282,1049 18.724,1050 -5.476,1051 11.063,1052 14.093,1053 4.33,1054 22.489,1055 11.055,1056 1.871,1057 7.906,1058 20.519,1059 3.956,1060 12.031,1061 15.249,1063 24.651,1064 12.022,1065 1.424,1066 4.583,1067 22.318,1068 3.437,1069 13.135,1070 16.744,1071 5.047,1072 26.884,1073 13.126,1074 1,1075 3.092,1076 24.119,1077 2.705,1078 14.151,1079 17.985,1081 29.075,1082 14.141,1083 1,1084 2.436,1085 25.923,1086 2.06,1087 15.231,1088 19.426,1089 5.769,1090 31.298,1091 15.221,1092 1,1093 2.319,1094 27.729,1095 1.5,1096 16.272,1097 20.719,1099 33.504,1100 16.261,1101 1602,1102 2901,1103 10.633,1104 17.716,1105 23.997,1106 24.472,1107 24.103,1108 23.653,1109 23.629,1110 33.263,1111 2.873,1112 63.509,1113 23.591,1114 4.952,1115 5.579,1116 6.01,1117 4.932,1118 4.932,1119 6.956,1120 2.873,1121 15.568,1122 4.93,1123 6.185,1124 1.5,1125 1.53,1126 1.506,1127 1.478,1128 1.477,1129 2.079,1130 0.18,1131 3.969,1132 1.474,1133 4.006,1134 4.027,1135 3.954,1136 3.96,1137 7.475,1138 3.956,1139 3.764,1140 3.79,1141 3.694,1142 3.695,1143 6.351,1144 3.69,1145 3.274,1146 3.263,1147 3.224,1148 3.038,1149 4.823,1150 3.076,1151 2.94,1152 2.991,1153 2.823,1154 2.845,1155 4.58,1156 2.835,1157 2.854,1158 2.925,1159 2.687,1160 2.735,1161 3.732,1162 2.715,1163 2.634,1164 2.688,1165 2.484,1166 2.424,1167 3.674,1168 2.428,1169 2.487,1170 2.565,1171 2.306,1172 2.288,1173 3.568,1174 2.301,1175 2.019,1176 2.061,1177 1.794,1178 1.34,1179 3.248,1180 1.426,1181 0.269,1182 0.224,1183 0.388,1184 0.246,1185 0.183,1186 4.307,1187 0.247,1188 3.579,1189 0.09,1190 6.208,1191 0.58,1192 3.932,1193 0.183,1194 2.932,1195 3.956,1196 1.437,1197 9.282,1198 2.93,1199 1.992,1200 1.973,1201 2.088,1202 2.056,1203 1.193,1204 2.067,1205 1.765,1206 1.738,1207 1.896,1208 1.86,1209 0.95,1210 1.871,1211 1.125,1212 1.125,1213 1.252,1214 1.418,1215 0.297,1216 1.351,1217 0.958,1218 0.911,1219 1.188,1220 1.095,1221 0.227,1222 1.13,1223 0.886,1224 0.821,1225 1.181,1226 1.062,1227 0.218,1228 1.107,1229 0.589,1230 0.535,1231 0.908,1232 0.867,1234 0.883,1235 0.475,1236 0.418,1237 0.814,1238 0.737,1240 0.783,1243 0.381,1244 0.393,1246 0.342,1247 3.497,1249 4.762,1251 6.24,1253 7.805,1255 9.412,1262 8.856,1272 17.064,1273 32.771,1274 54.283,1275 69.567,1276 93.342,1277 105.342,1278 108.096,1279 19.907,1280 5.7,1281 37.3,1282 37.3,1283 12,1284 11.586,1285 3.807,1286 3,1287 23.531,1288 35,1289 30,1290 0.342,1291 108.185,1292 186.04,1293 255.731,1294 1664,1296 10.673,1297 0.712,1298 0.537,1299 10.673,1300 8.052,1301 7.271,1302 0.454,1303 0.291,1304 4.631,1305 7.129,1306 4.523,1307 3.783,1308 7.271,1309 4.66,1310 6.329,1311 0.301,1312 0.155,1313 6.329,1314 3.252,1315 5.015,1316 0.193,1317 0.085,1318 5.015,1319 2.217,1320 3.906,1321 0.126,1322 0.047,1323 3.906,1324 1.462,1325 3.186,1326 0.084,1327 0.026,1328 3.186,1329 0.979,1330 0.511,1331 44.78,1332 0.307,1333 15.079,1334 1.008,1335 74,1336 225.885,1337 78.428,1338 223.078,1339 296.41,1340 206,1341 84,1342 208.667,1343 87.322,1344 215.07,1345 308.6,1346 202,1347 5.4}
{0 CHEMBL1237121,1 1.575,2 16.25,3 3.4,4 11.561,5 157.172,6 7.659,7 0.255,8 4.489,9 4.58,10 4.042,11 3.928,12 5.698,13 3.947,14 5.029,15 5.163,16 4.473,17 4.314,18 6.274,19 4.329,20 5.306,21 5.422,22 4.66,23 4.514,24 6.591,25 4.527,26 5.522,27 5.698,28 4.671,29 4.585,30 6.752,31 4.574,32 5.541,33 5.727,34 4.666,35 4.59,36 6.87,37 4.569,38 5.517,39 5.706,40 4.62,41 4.555,42 6.871,43 4.529,44 5.461,45 5.657,46 4.446,47 4.513,48 6.668,49 4.468,50 5.366,51 5.577,52 4.439,53 4.443,54 6.515,55 4.39,56 0.298,57 1.058,58 16.325,59 7.704,60 37.9,61 8.99,62 0.998,63 1.629,64 32.01,65 12.591,66 102.513,67 15.463,68 1.534,69 2.057,70 42.466,71 15.829,72 129.68,73 18.849,74 2.079,75 2.373,76 58.437,77 18.434,78 209.382,79 23.563,80 2.121,81 2.42,82 60.025,83 18.8,84 252.102,85 24.597,86 2.158,87 2.357,88 59.024,89 18.111,90 246.95,91 23.875,92 1.821,93 2.25,94 55.99,95 17.036,96 226.729,97 22.044,98 1.329,99 2.076,100 50.038,101 17.019,102 134.944,103 23.09,104 184,105 70,106 0.24,107 0.626,108 0.814,109 0.864,110 0.872,111 0.872,112 3.81,113 0.875,114 -1.85,115 -1.91,116 -1.92,118 38.8,119 5,120 1,123 1,126 3,127 1,128 1,132 1,133 1,135 2,137 5,138 4,139 3,150 2,151 1,154 1,155 1,156 1,162 12,165 3,166 7,168 2,169 3,171 4,174 14,178 2,179 8,182 5,183 1,184 7,187 11,191 3,192 12,195 3,197 7,200 7,203 4,204 8,206 1,207 3,208 1,209 10,211 1,212 6,216 4,217 12,219 2,220 4,221 1,222 10,225 12,228 2,231 11,234 2,236 4,239 12,244 2,245 12,248 1,250 5,253 10,256 2,258 2,259 6,262 4,263 2,264 4,267 8,270 2,272 4122,273 28.187,274 28.187,275 28.187,276 28.187,277 28.187,278 25.527,279 35.927,280 15.886,281 28.785,282 23.011,283 23.011,284 23.011,285 23.011,286 23.011,287 19.013,288 43.328,289 7.39,290 23.949,291 4.747,292 2.221,293 0.989,294 0.657,295 0.607,296 0.607,297 4.491,302 1491,303 5,307 582.44,311 220.412,314 2.875,315 84.274,318 0.25,319 0.5,320 0.33,321 0.7,322 1,323 0.33,324 0.5,325 0.52,326 100,327 715,328 4.631,329 3.861,330 7.454,331 4.448,332 3.501,333 4.295,334 2.172,335 13.153,336 3.304,337 4.501,338 3.802,339 6.877,340 4.238,341 3.273,342 3.963,343 1.674,344 11.394,345 3.153,346 4.323,347 3.577,348 6.377,349 3.949,350 2.958,351 3.667,352 1.392,353 9.605,354 2.93,355 4.174,356 3.545,357 6.297,358 3.795,359 2.828,360 3.499,361 1.058,362 9.279,363 2.728,364 3.853,365 3.291,366 6.172,367 3.654,368 2.7,369 3.201,370 0.86,371 9.047,372 2.574,373 3.758,374 3.068,375 5.852,376 3.503,377 2.515,378 2.876,379 0.68,380 7.966,381 2.477,382 3.624,383 3.034,384 5.742,385 3.299,386 2.346,387 2.844,388 0.68,389 7.606,390 2.215,391 3.573,392 2.813,393 5.596,394 3.179,395 2.188,396 2.794,397 0.532,398 6.994,399 2.169,400 3.465,401 2.701,402 5.17,403 3.148,404 2.167,405 2.59,406 0.262,407 5.907,408 2.1,409 3.3,410 2.628,411 4.663,412 2.94,413 1.991,414 2.455,416 5.166,417 1.87,418 3.071,419 2.337,420 4.645,421 2.816,422 1.883,423 2.091,425 4.922,426 1.74,427 2.886,428 1.911,429 4.374,430 2.493,431 1.507,432 2.006,434 3.916,435 1.483,436 2.859,437 1.887,438 4.218,439 2.416,440 1.43,441 1.949,443 3.842,444 1.396,445 2.767,446 1.865,447 4.146,448 2.265,449 1.276,450 1.78,452 3.37,453 1.249,454 2.165,455 1.735,456 4.09,457 2.02,458 1.129,459 1.156,461 2.86,462 0.993,463 19.967,464 0.454,465 1.62,466 0.037,467 48.75,468 1.108,469 20.5,470 0.466,471 28.25,472 0.642,473 52.333,474 1.189,475 50.833,476 0.635,477 51.832,478 1.178,479 10.016,480 0.228,481 10.622,482 0.241,483 0.27,484 0.025,485 0.426,490 0.901,491 1.253,492 0.799,493 1.179,494 0.839,495 0.989,496 0.814,497 1.019,498 0.696,499 0.987,500 0.579,501 0.842,502 1.087,503 1.215,504 1.017,505 1.207,506 0.885,507 1.118,508 1.138,509 1.021,510 1.001,511 0.991,512 0.943,513 0.962,514 1.035,515 1.014,516 0.964,517 0.99,518 0.862,519 0.963,520 1.034,521 0.983,522 0.987,523 0.96,524 1.189,525 0.96,526 1.276,527 0.887,528 1.189,529 0.915,530 1.421,531 0.998,532 0.778,533 1.104,534 0.826,535 1.09,536 0.766,537 0.996,538 12,539 0.487,540 7.111,541 4.5,542 4.48,543 2.542,544 1.379,545 1.115,546 0.866,547 0.601,548 32385,549 100446,550 1.936,551 45,552 11,553 12,554 1,556 6,558 6,561 1.821,562 1.731,563 3.928,564 2.888,570 126.003,571 1.575,572 4.101,573 5.332,574 5.665,575 5.715,576 5.715,577 3.411,578 5.141,579 5.427,580 4.175,581 3949.12,582 9.605,583 73682.4,588 505.754,589 1.694,590 5.333,591 0.255,592 0.01,593 0.102,594 0.056,595 0.057,596 0.033,597 0.019,598 0.018,599 0.014,600 0.01,601 0.572,602 0.17,603 0.75,604 1.235,605 256.617,606 -0.116,607 -0.006,608 0.01,609 -0.003,610 -0.152,611 0.038,612 0.119,613 0.09,614 0.208,615 0.105,616 0.112,617 0.166,618 0.023,619 -0.124,620 -0.086,621 -0.139,622 -0.03,623 -0.148,624 -0.028,625 -0.03,626 -0.003,627 -0.003,628 -0.019,629 0.005,630 0.028,631 -0.027,632 0.034,633 -0.008,634 0.121,635 0.01,636 0.035,637 0.004,638 0.016,639 0.012,640 0.013,641 0.007,642 -0.219,643 0.115,644 -0.19,645 0.05,646 -0.253,647 -0.036,648 0.068,649 -0.129,650 0.139,651 -0.073,652 0.034,653 0.031,654 2.851,655 6.015,656 0.5,657 62.562,658 1.023,659 1.129,660 0.622,661 0.387,662 0.637,663 3.871,664 4.263,665 4.533,666 4.804,667 5.075,668 5.182,669 5.236,670 5.416,671 5.565,672 5.663,673 9.529,674 0.623,675 612.69,676 3.871,677 5.46,678 6.326,679 7.238,680 8.128,681 9.042,682 9.942,683 10.857,684 11.761,685 12.679,686 2.5,693 2,701 5,706 7,708 12,714 1,721 1,722 1,724 80,726 17,727 2,728 47,730 83,731 31,732 12,733 7,734 5,735 4,737 4,738 5,743 5,746 3,747 1,749 4,751 19,752 12,753 1,754 5,758 3,759 1,761 6,767 36,768 13,769 6,770 13,773 2,777 0.75,778 11,780 1,789 4,793 1,801 1,802 3,803 1,807 1,808 2,809 2,810 3,815 6,819 44,820 1,826 3,827 1,828 1,829 5,831 4,833 1,839 13.8,840 1,841 2,842 3,843 2,844 3,846 25.417,847 15.85,848 9.514,849 4.361,850 2.88,851 1.33,852 0.889,853 10.093,854 11.615,855 4.078,856 4.663,857 5.136,858 5.634,859 6.165,860 6.446,861 6.729,862 7.073,863 7.421,864 7.642,865 0.909,866 80,867 16.591,869 7.466,870 0.006,871 8.153,872 29.894,874 24.372,876 2.653,877 116.75,881 353.133,882 162.591,883 50.908,885 258.484,888 162.591,889 611.617,890 50.908,891 55.009,892 53.442,893 99.9,894 197.454,895 59.414,896 18.534,897 341.362,899 353.133,900 213.499,901 258.484,904 282.506,905 264.428,906 64.683,907 0.36,908 97.568,909 103.338,910 12.233,912 353.133,913 309.392,914 162.591,917 353.493,918 50.364,919 111.867,920 18.011,921 291.381,922 353.133,923 309.392,924 162.591,926 0.6,927 0.35,928 0.185,929 0.108,930 32,931 19,932 0.108,933 9,934 1,935 1.091,936 4.888,937 460.388,938 0.091,939 22,940 236.215,944 33.451,945 13.276,946 7.12,948 309.392,949 7.116,954 1.133,956 178.958,957 825.116,958 58,962 37.485,963 1.895,965 -2.816,967 81.825,968 90.358,969 0.249,970 0.649,971 0.843,972 0.896,973 0.904,974 0.904,975 5.384,976 2.188,977 6.382,978 7.606,979 4.949,980 5.352,981 3.212,982 7.279,983 4.87,984 6.625,985 2.167,986 8.011,987 6.994,988 4.844,989 5.373,990 1.784,991 8.463,992 4.735,993 7.969,994 1.991,995 9.744,996 5.907,997 6.666,998 7.493,999 4.09,1000 11.551,1001 6.51,1002 9.34,1003 1.883,1004 11.536,1005 5.166,1006 7.307,1007 8.235,1008 3.553,1009 13.52,1010 7.11,1011 10.738,1012 1.507,1013 13.367,1014 4.922,1015 8.696,1016 9.933,1017 5.262,1018 16.211,1019 8.457,1020 12.154,1021 1.43,1022 15.225,1023 3.916,1024 9.656,1025 11.001,1026 5.235,1027 18.509,1028 9.365,1029 13.586,1030 1.276,1031 17.104,1032 3.842,1033 10.907,1034 12.542,1035 6.582,1036 21.087,1037 10.574,1038 3.501,1039 1.129,1040 18.999,1041 3.37,1042 12.008,1043 13.777,1044 6.865,1045 23.528,1046 11.618,1047 3.273,1048 13.153,1049 20.908,1050 2.86,1051 13.221,1052 15.251,1053 7.987,1054 26.079,1055 12.783,1056 2.958,1057 11.394,1058 22.829,1059 4.295,1060 14.385,1061 16.575,1062 8.462,1063 28.584,1064 13.89,1065 2.828,1066 9.605,1067 24.759,1068 3.963,1069 15.593,1070 18.022,1071 9.448,1072 31.133,1073 15.045,1074 2.7,1075 9.279,1076 26.699,1077 3.667,1078 16.788,1079 19.394,1080 10.041,1081 33.669,1082 16.181,1083 2.515,1084 9.047,1085 28.647,1086 3.499,1087 18.001,1088 20.83,1089 10.944,1090 36.224,1091 17.338,1092 2.346,1093 7.966,1094 30.601,1095 3.201,1096 19.212,1097 22.23,1098 11.609,1099 38.775,1100 18.49,1101 31847,1102 56336,1103 29.074,1104 50.955,1105 72.386,1106 75.754,1107 76.594,1108 71.36,1109 71.328,1110 86.69,1111 18.619,1112 219.49,1113 68.427,1114 5.631,1115 5.861,1116 6.948,1117 5.545,1118 5.501,1119 7.295,1120 3.872,1121 21.343,1122 5.304,1123 33.714,1124 1.54,1125 1.612,1126 1.63,1127 1.518,1128 1.518,1129 1.844,1130 0.396,1131 4.67,1132 1.456,1133 4.046,1134 4.055,1135 4.011,1136 3.947,1137 7.444,1138 3.959,1139 3.945,1140 3.96,1141 3.898,1142 3.877,1143 7.435,1144 3.88,1145 3.887,1146 3.901,1147 3.818,1148 3.711,1149 7.426,1150 3.731,1151 3.685,1152 3.732,1153 3.587,1154 3.587,1155 6.471,1156 3.576,1157 3.585,1158 3.606,1159 3.523,1160 3.423,1161 6.465,1162 3.45,1163 3.481,1164 3.517,1165 3.4,1166 3.239,1167 6.449,1168 3.251,1169 3.352,1170 3.391,1171 3.255,1172 3.079,1173 4.932,1174 3.109,1175 3.27,1176 3.331,1177 3.194,1178 3.02,1179 4.883,1180 3.07,1181 0.099,1182 0.082,1183 0.159,1184 0.095,1185 0.074,1186 4.631,1187 0.091,1188 3.861,1189 0.046,1190 7.454,1191 0.28,1192 4.448,1193 0.07,1194 3.501,1195 4.295,1196 2.172,1197 13.153,1198 3.304,1199 1.958,1200 1.949,1201 2.048,1202 2.075,1203 1.305,1204 2.057,1205 1.928,1206 1.912,1207 2.019,1208 2.028,1209 1.218,1210 2.026,1211 1.804,1212 1.782,1213 1.969,1214 1.995,1215 1.171,1216 1.983,1217 1.693,1218 1.647,1219 1.893,1220 1.829,1221 0.994,1222 1.853,1223 1.501,1224 1.483,1225 1.663,1226 1.704,1227 0.893,1228 1.681,1229 1.396,1230 1.347,1231 1.619,1232 1.675,1233 0.708,1234 1.649,1235 1.213,1236 1.172,1237 1.573,1238 1.551,1239 0.643,1240 1.548,1241 1.207,1242 1.147,1243 1.5,1244 1.537,1245 0.598,1246 1.516,1247 4.554,1249 5.927,1251 7.488,1253 9.147,1255 10.861,1257 10.055,1261 5.2,1262 32.083,1263 0.397,1264 2.403,1265 27.868,1267 -4.979,1269 -1.092,1272 49.861,1273 126.003,1274 328.066,1275 426.596,1276 453.225,1277 457.225,1278 457.225,1279 165.569,1280 8.735,1281 200.01,1282 200.01,1283 24,1284 13.192,1285 4.17,1286 3.585,1287 85.465,1288 255,1289 264,1290 0.165,1291 303.905,1292 563.27,1293 733.289,1294 86261,1296 32.507,1297 0.739,1298 0.572,1299 32.507,1300 25.166,1301 20.638,1302 0.439,1303 0.292,1304 13.438,1305 19.527,1306 12.945,1307 10.762,1308 20.638,1309 13.716,1310 20.111,1311 0.287,1312 0.16,1313 20.111,1314 11.218,1315 16.048,1316 0.174,1317 0.08,1318 16.048,1319 7.326,1320 13.199,1321 0.109,1322 0.042,1323 13.199,1324 5.063,1325 11.037,1326 0.069,1327 0.021,1328 11.037,1329 3.38,1330 0.264,1331 132.316,1332 0.185,1333 38.857,1334 0.44,1335 234,1336 833.978,1337 271.07,1338 768.65,1339 1016.24,1340 712,1341 279,1342 724.341,1343 316.27,1344 720.837,1345 1067.07,1346 672,1347 4.921}
{0 CHEMBL135463,1 1.654,2 15.722,3 -1.24,4 1.537,5 192.721,6 7.29,7 0.203,8 4.783,9 4.89,10 4.382,11 4.214,12 5.834,13 4.205,14 5.396,15 5.543,16 4.764,17 4.661,18 6.607,19 4.64,20 5.753,21 5.937,22 4.927,23 4.885,24 6.881,25 4.838,26 5.927,27 6.143,28 4.902,29 4.933,30 6.984,31 4.87,32 5.921,33 6.138,34 4.901,35 4.918,36 7.006,37 4.846,38 5.939,39 6.169,40 4.959,41 4.903,42 7.054,43 4.845,44 5.908,45 6.119,46 4.937,47 4.904,48 7.086,49 4.846,50 5.959,51 6.193,52 4.946,53 4.933,54 7.085,55 4.869,56 0.372,57 1.513,58 28.343,59 10.537,60 63.963,61 13.308,62 1.434,63 2.433,64 50.947,65 17.72,66 185.245,67 23.44,68 2.117,69 3.147,70 76.181,71 23.893,72 227.015,73 32.708,74 2.541,75 3.394,76 93.627,77 26.391,78 271.51,79 37.057,80 2.754,81 3.343,82 94.13,83 26.485,84 304.333,85 37.15,86 2.754,87 3.358,88 98.267,89 26.3,90 314.558,91 37.601,92 2.986,93 3.398,94 93.515,95 24.537,96 339.247,97 35.166,98 2.606,99 3.527,100 98.791,101 26.022,102 325.438,103 38.563,104 180,105 89,106 0.239,107 0.562,108 0.787,109 0.895,110 0.919,111 0.927,112 4.01,113 0.999,114 0.28,115 0.11,116 -0.11,118 33.6,119 2,120 3,121 1,123 2,124 2,126 10,127 2,128 1,137 7,138 4,139 1,151 1,154 2,155 2,156 2,158 2,161 1,162 14,165 4,166 2,169 4,171 5,174 19,175 2,176 2,179 12,181 3,182 10,183 2,184 5,187 18,188 2,190 1,191 1,192 12,195 2,196 4,197 6,199 2,200 12,201 2,203 2,204 13,206 2,207 8,209 4,212 5,213 2,216 2,217 10,218 1,219 2,220 4,221 5,222 11,224 4,225 3,226 2,228 3,229 1,230 6,231 9,233 2,234 5,235 2,236 8,239 3,240 2,242 1,244 1,245 9,246 1,248 3,249 6,250 13,251 1,252 3,253 6,256 2,258 4,259 9,261 1,262 9,263 2,264 5,266 1,267 3,270 2,272 8014,273 35.253,274 35.253,275 35.253,276 35.253,277 35.253,278 33.433,279 45.924,280 19.741,281 36.048,282 28.878,283 28.878,284 28.878,285 28.878,286 28.878,287 25.973,288 61.566,289 9.105,290 30.184,291 5.087,292 2.852,293 1.298,294 0.552,295 0.383,296 0.327,297 4.707,302 1824,303 5.523,306 124.7,307 853.626,310 448.682,314 2.282,315 110.182,318 0.25,319 0.17,320 0.33,321 0.6,322 1,323 0.17,325 0.36,326 122.5,327 849,328 4.825,329 5.165,330 7.414,331 4.414,332 3.458,333 4.681,334 2.925,335 12.901,336 3.35,337 4.602,338 3.731,339 7.147,340 4.377,341 3.403,342 4.248,343 2.186,344 12.231,345 3.297,346 4.458,347 3.68,348 7.012,349 4.18,350 3.242,351 3.458,352 1.392,353 11.591,354 3.046,355 4.211,356 3.558,357 6.767,358 4.16,359 3.207,360 3.294,361 1.392,362 11.02,363 2.975,364 3.935,365 3.503,366 6.211,367 3.895,368 2.933,369 3.22,370 0.68,371 9.241,372 2.819,373 3.736,374 3.317,375 6.092,376 3.598,377 2.642,378 2.945,379 0.532,380 8.688,381 2.522,382 3.697,383 3.068,384 5.93,385 3.505,386 2.544,387 2.827,388 0.532,389 8.173,390 2.441,391 3.627,392 2.805,393 5.777,394 3.401,395 2.447,396 2.634,397 0.4,398 7.634,399 2.315,400 3.509,401 2.641,402 5.718,403 3.261,404 2.261,405 2.537,406 0.4,407 7.431,408 2.26,409 3.369,410 2.561,411 5.705,412 3.208,413 2.245,414 2.505,415 0.366,416 7.352,417 2.172,418 3.257,419 2.385,420 5.281,421 3.094,422 2.123,423 2.34,425 6.419,426 2.033,427 3.099,428 2.312,429 5.032,430 2.868,431 1.908,432 2.27,434 5.442,435 1.814,436 2.969,437 2.223,438 4.886,439 2.74,440 1.803,441 1.969,443 5.304,444 1.68,445 2.811,446 2.218,447 4.603,448 2.591,449 1.594,450 1.948,452 4.634,453 1.587,454 2.804,455 1.877,456 4.261,457 2.46,458 1.479,459 1.804,461 3.928,462 1.448,463 24.833,464 0.46,465 1.898,466 0.035,467 52.25,468 0.968,469 16.5,470 0.306,471 35.75,472 0.662,473 78.987,474 1.463,475 65.167,476 0.609,477 59.079,478 1.094,479 9.927,480 0.184,481 15.605,482 0.289,483 0.207,484 0.054,485 0.383,490 0.894,491 1.381,492 0.876,493 1.305,494 0.934,495 1.055,496 0.881,497 1.137,498 0.877,499 1.053,500 0.63,501 1.008,502 0.961,503 1.11,504 0.96,505 1.08,506 0.814,507 1.07,508 1.22,509 0.956,510 0.986,511 0.925,512 0.898,513 0.98,514 1.138,515 0.977,516 0.984,517 0.947,518 1.074,519 1,520 1.066,521 0.966,522 0.863,523 0.897,524 0.846,525 0.869,526 1.139,527 1.011,528 1.043,529 0.943,530 1.219,531 0.999,532 0.998,533 1.018,534 0.891,535 0.951,536 0.979,537 0.94,538 14,539 0.697,540 8.889,541 5.736,542 3.915,543 2.847,544 2.193,545 1.587,546 1.163,547 0.885,548 55291,549 154531,550 2.003,551 49.5,553 27,554 2,556 11,558 11,559 2,561 1.876,562 1.81,563 3.898,564 6.788,570 177.011,571 1.654,572 3.889,573 5.443,574 6.19,575 6.358,576 6.414,577 3.316,578 5.408,579 5.728,580 4.131,581 5912.11,582 10.254,583 126089,588 721.337,589 1.732,590 5.642,591 0.237,592 0.007,593 0.1,594 0.057,595 0.041,596 0.031,597 0.022,598 0.017,599 0.012,600 0.01,601 0.534,602 0.17,603 0.38,604 0.939,605 329.515,606 -0.086,607 0.008,608 0.117,609 0.009,610 -0.195,611 0.074,612 0.105,613 0.063,614 0.033,615 0.051,616 0.162,617 0.04,618 0.059,619 -0.017,620 -0.028,621 -0.051,622 0.025,623 -0.058,624 -0.115,625 0.023,626 -0.05,627 0.01,628 -0.047,629 -0.012,630 -0.03,631 -0.005,632 -0.027,633 0.001,634 -0.078,635 -0.029,636 0.025,637 -0.023,638 0.118,639 0.042,640 0.077,641 0.097,642 -0.003,643 0.006,644 -0.059,645 -0.004,646 -0.047,647 -0.049,648 0.008,649 -0.038,650 0.055,651 -0.028,652 0.031,653 0.026,654 5.415,655 6.542,656 0.574,657 73.8,658 1.016,659 1.139,660 -1.507,661 2.27,662 0.621,663 4.094,664 4.5,665 4.796,666 5.069,667 5.342,668 5.509,669 5.666,670 5.832,671 5.9,672 6.016,673 9.763,674 0.594,675 780.01,676 4.094,677 5.694,678 6.572,679 7.489,680 8.388,681 9.308,682 10.214,683 11.135,684 12.046,685 12.969,686 4.7,687 2,688 2,693 1,701 7,706 5,708 12,724 107,726 15,727 2,728 59,730 112,731 36,732 12,733 5,734 7,737 6,738 9,743 2,746 12,747 2,749 13,751 13,752 23,753 2,754 3,756 1,758 3,761 1,767 53,768 17,769 11,770 18,771 1,773 5,777 0.667,778 12,780 2,781 1,788 1,789 5,792 2,804 2,805 2,807 1,808 4,809 4,810 4,813 1,815 4,819 54,820 2,824 1,826 4,827 5,828 3,829 5,831 13,833 1,839 11.2,840 4,842 3,843 4,844 1,846 29.833,847 18.633,848 11.569,849 6.05,850 2.423,851 1.256,852 0.888,853 12.625,854 11.9,855 4.234,856 4.779,857 5.209,858 5.688,859 6.197,860 6.537,861 6.992,862 7.337,863 7.572,864 7.823,865 1,866 100,867 21.051,869 10.179,870 0.006,871 8.037,872 38.042,874 33.191,876 2.537,877 137,881 494.386,882 140.679,883 119.827,885 291.603,887 1.339,888 139.34,889 785.99,890 119.827,891 34.443,892 100.593,893 271.56,894 113.457,895 25.293,896 30.305,897 470.844,899 494.386,900 259.167,901 291.603,902 1.339,904 341.362,905 233.482,906 211.146,907 0.719,908 154.265,909 104.182,910 1.339,912 494.386,913 411.43,914 140.679,916 1.339,917 495.105,918 37.844,919 100.777,920 54.032,921 357.398,922 494.386,923 411.43,924 140.679,926 0.603,927 0.36,928 0.186,929 0.103,930 43,931 23,932 0.107,933 12,934 2,935 1.129,936 5.552,937 637.283,938 0.129,939 31,940 308.764,943 1,944 41.174,945 16.557,946 8.62,948 411.43,949 11.673,954 2.653,956 286.973,957 1046.49,958 68,960 -4.499,962 37.484,965 -0.882,967 108.719,968 121.889,969 0.245,970 0.577,971 0.807,972 0.918,973 0.943,974 0.951,975 5.568,976 2.447,977 6.632,978 8.173,979 5.187,980 5.468,981 3.613,982 7.546,983 5.1,984 6.78,985 2.261,986 8.272,987 7.634,988 5.094,989 5.539,990 1.784,991 8.797,992 4.959,993 8.125,994 2.245,995 10.017,996 7.431,997 6.938,998 7.595,999 5.273,1000 11.861,1001 6.766,1002 9.501,1003 2.123,1004 11.825,1005 7.352,1006 7.611,1007 8.479,1008 3.59,1009 13.883,1010 7.384,1011 10.913,1012 1.908,1013 13.671,1014 6.419,1015 9.013,1016 10.148,1017 7.256,1018 16.551,1019 8.753,1020 12.349,1021 1.803,1022 15.543,1023 5.442,1024 9.999,1025 11.384,1026 5.289,1027 18.868,1028 9.687,1029 13.806,1030 1.594,1031 17.435,1032 5.304,1033 11.259,1034 12.943,1035 9.338,1036 21.422,1037 10.914,1038 3.458,1039 1.479,1040 19.341,1041 4.634,1042 12.373,1043 14.335,1044 6.93,1045 23.857,1046 11.983,1047 3.403,1048 12.901,1049 21.259,1050 3.928,1051 13.59,1052 15.863,1053 11.456,1054 26.379,1055 13.166,1056 3.242,1057 12.231,1058 23.187,1059 4.681,1060 14.759,1061 17.326,1062 8.539,1063 28.863,1064 14.294,1065 3.207,1066 11.591,1067 25.122,1068 4.248,1069 15.966,1070 18.847,1071 13.588,1072 31.38,1073 15.467,1074 2.933,1075 11.02,1076 27.065,1077 3.458,1078 17.158,1079 20.343,1080 10.13,1081 33.885,1082 16.623,1083 2.642,1084 9.241,1085 29.013,1086 3.294,1087 18.365,1088 21.865,1089 15.728,1090 36.405,1091 17.797,1092 2.544,1093 8.688,1094 30.966,1095 3.22,1096 19.568,1097 23.378,1098 11.71,1099 38.921,1100 18.967,1101 52557,1102 88263,1103 37.509,1104 66.404,1105 90.309,1106 94.706,1107 95.775,1108 90.161,1109 90.269,1110 102.973,1111 21.607,1112 281.862,1113 86.24,1114 5.825,1115 7.165,1116 7.092,1117 5.508,1118 5.458,1119 7.681,1120 5.85,1121 20.84,1122 5.35,1123 38.218,1124 1.531,1125 1.605,1126 1.623,1127 1.528,1128 1.53,1129 1.745,1130 0.366,1131 4.777,1132 1.462,1133 4.151,1134 4.153,1135 4.724,1136 4.126,1137 7.762,1138 4.095,1139 3.976,1140 4.006,1141 4.029,1142 3.866,1143 7.435,1144 3.816,1145 3.894,1146 3.904,1147 3.888,1148 3.802,1149 6.999,1150 3.783,1151 3.867,1152 3.877,1153 3.773,1154 3.691,1155 6.463,1156 3.702,1157 3.829,1158 3.853,1159 3.725,1160 3.672,1161 6.448,1162 3.678,1163 3.576,1164 3.651,1165 3.535,1166 3.46,1167 6.434,1168 3.415,1169 3.55,1170 3.569,1171 3.468,1172 3.364,1173 6.312,1174 3.365,1175 3.486,1176 3.488,1177 3.4,1178 3.241,1179 5.053,1180 3.265,1181 0.082,1182 0.088,1183 0.126,1184 0.075,1185 0.059,1186 4.825,1187 0.079,1188 5.165,1189 0.05,1190 7.414,1191 0.219,1192 4.414,1193 0.057,1194 3.458,1195 4.681,1196 2.925,1197 12.901,1198 3.35,1199 1.963,1200 1.971,1201 2.04,1202 2.075,1203 1.424,1204 2.062,1205 1.886,1206 1.867,1207 2.015,1208 2.02,1209 1.367,1210 2.041,1211 1.872,1212 1.839,1213 2.006,1214 2.011,1215 1.291,1216 2.014,1217 1.815,1218 1.774,1219 1.967,1220 1.983,1221 1.249,1222 1.982,1223 1.784,1224 1.743,1225 1.961,1226 1.956,1227 1.175,1228 1.971,1229 1.538,1230 1.522,1231 1.806,1232 1.785,1233 1.032,1234 1.796,1235 1.485,1236 1.46,1237 1.652,1238 1.704,1239 0.824,1240 1.694,1241 1.322,1242 1.313,1243 1.606,1244 1.605,1245 0.79,1246 1.623,1247 4.779,1249 6.163,1250 2.398,1251 7.737,1252 4.949,1253 9.398,1254 7.235,1255 11.105,1257 6.881,1261 13.008,1262 43.58,1263 0.936,1264 8.82,1265 30.199,1267 -11.412,1269 -1.441,1272 63.515,1273 177.011,1274 416.129,1275 582.427,1276 662.317,1277 680.317,1278 686.317,1279 198.562,1280 9.477,1281 266.41,1282 274.79,1283 35,1284 13.478,1285 4,1286 3.322,1287 90.093,1288 307,1289 332,1290 0.134,1291 384.3,1292 695.91,1293 929.452,1294 217209,1296 39.112,1297 0.724,1298 0.584,1299 39.362,1300 31.517,1301 25.532,1302 0.433,1303 0.333,1304 17.96,1305 23.479,1306 17.462,1307 14.292,1308 26.427,1309 19.639,1310 24.886,1311 0.28,1312 0.184,1313 26.274,1314 16.381,1315 20.747,1316 0.173,1317 0.1,1318 21.49,1319 12.054,1320 16.998,1321 0.108,1322 0.055,1323 17.501,1324 8.63,1325 13.759,1326 0.066,1327 0.029,1328 14.223,1329 6.099,1330 0.211,1331 172.236,1332 0.163,1333 45.019,1334 0.368,1335 296,1336 924.967,1337 372.723,1338 871.688,1339 1152.81,1340 806,1341 357,1342 784.455,1343 442.041,1344 816.795,1345 1219.67,1346 765,1347 4.699}
{0 CHEMBL135682,1 1.754,2 11.654,3 1.412,4 1.992,5 103.192,6 8.914,7 0.345,8 3.855,9 3.973,10 3.625,11 3.438,12 5.071,13 3.418,14 4.332,15 4.491,16 3.991,17 3.811,18 5.507,19 3.778,20 4.478,21 4.656,22 3.928,23 3.871,24 5.642,25 3.818,26 4.571,27 4.778,28 3.938,29 3.851,30 5.838,31 3.772,32 4.413,33 4.615,34 3.755,35 3.715,36 5.585,37 3.609,38 4.155,39 4.343,40 3.574,41 3.542,42 5.283,43 3.464,44 4.161,45 4.377,46 3.501,47 3.46,48 5.235,49 3.376,50 4.034,51 4.251,52 3.385,53 3.361,54 5.062,55 3.272,56 0.12,57 0.717,58 6.256,59 3.388,60 8.464,61 3.798,62 0.28,63 1.106,64 13.955,65 5.699,66 19.592,67 6.67,68 0.221,69 1.171,70 16.261,71 6.899,72 21.295,73 8.208,74 0.53,75 1.229,76 21.972,77 7.787,78 56.325,79 9.084,80 0.422,81 1.071,82 23.161,83 7.748,84 38.445,85 8.579,86 0.204,87 0.862,88 13.739,89 5.124,90 20.072,91 5.761,92 0.257,93 0.836,94 14.675,95 4.986,96 23.651,97 6.234,98 0.175,99 0.718,100 11.832,101 4.638,102 19.561,103 5.775,104 11,105 41,106 0.303,107 0.71,108 0.819,109 0.853,110 0.853,111 0.853,112 3.304,113 0.919,114 -4.08,115 -4.03,116 -3.82,118 41.5,119 2,121 1,132 4,133 2,134 2,141 1,143 1,145 1,150 2,152 1,157 1,160 2,162 6,165 4,166 11,169 1,174 6,179 6,184 1,187 4,191 7,192 6,200 6,203 3,204 5,207 3,212 6,217 5,225 4,230 2,231 7,236 2,239 5,245 3,250 1,253 4,258 1,259 7,264 1,267 1,272 932,273 17.654,274 17.654,275 17.654,276 17.654,277 17.654,278 15.524,279 15.685,280 10.302,281 18.11,282 14.3,283 14.3,284 14.3,285 14.3,286 14.3,287 10.9,288 15.084,289 4.88,290 15.051,291 3.603,292 1.251,293 0.622,294 0.427,295 0.427,296 0.427,297 4,299 1,300 1,301 1,302 665,303 3,306 144.53,307 135.517,311 115.281,314 1.988,315 21.823,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 56.5,327 303,328 4.495,329 3.782,330 6.743,331 4.147,332 3.182,333 3.975,334 1.257,335 10.92,336 3.072,337 4.207,338 3.036,339 6.099,340 3.791,341 2.855,342 3.812,343 0.78,344 8.856,345 2.686,346 4.104,347 2.957,348 5.999,349 3.686,350 2.722,351 3.562,352 0.219,353 8.559,354 2.628,355 3.737,356 2.627,357 5.384,358 3.333,359 2.362,360 3.081,362 6.943,363 2.28,364 3.475,365 2.409,366 5.182,367 3.101,368 2.166,369 2.695,371 6.292,372 1.999,373 3.327,374 2.191,375 4.963,376 2.852,377 1.878,378 2.48,380 5.435,381 1.812,382 3.158,383 1.893,384 4.486,385 2.64,386 1.686,387 2.263,389 4.407,390 1.605,391 2.706,392 1.559,393 3.713,394 2.166,395 1.204,396 1.606,398 2.817,399 1.149,400 2.537,401 1.202,402 3.626,403 2.023,404 1.025,405 1.427,407 2.434,408 1.014,409 2.377,410 0.999,411 3.328,412 1.857,413 0.893,414 1.246,416 2.092,417 0.858,418 2.172,419 0.688,420 3.254,421 1.591,422 0.668,423 0.943,425 1.624,426 0.6,427 2.118,428 0.636,429 3.148,430 1.52,431 0.618,432 0.927,434 1.372,435 0.543,436 2.095,437 0.618,438 3,439 1.451,440 0.535,441 0.819,443 1.32,444 0.497,445 1.599,446 0.505,447 2.746,448 0.964,449 -0.043,450 -0.059,452 -0.107,453 -0.042,454 0.95,455 -0.157,456 2.524,457 0.651,458 -0.325,459 -0.428,461 -0.838,462 -0.316,463 12.467,464 0.479,465 0.644,466 0.025,467 34,468 1.308,469 17,470 0.654,471 17,472 0.654,473 20.335,474 0.782,475 26.533,476 0.647,477 23.826,478 0.916,479 6.637,480 0.255,481 5.978,482 0.23,483 0.107,485 0.353,490 0.607,491 1.066,492 0.662,493 0.879,494 0.567,495 0.834,496 0.616,497 0.998,498 0.782,499 0.92,500 0.588,501 0.821,502 0.922,503 1.146,504 0.845,505 1.034,506 0.879,507 1.022,508 0.962,509 0.804,510 1.037,511 0.949,512 1.192,513 0.971,514 0.841,515 0.961,516 1.47,517 1.341,518 1.022,519 1.112,520 1.041,521 1.137,522 1.171,523 1.117,524 0.849,525 1.061,526 0.82,527 0.987,528 0.968,529 1.06,530 0.828,531 1.04,532 0.851,533 1.044,534 0.79,535 0.904,536 0.798,537 0.958,538 5,539 0.144,540 3.111,541 1.562,542 1.713,543 0.636,544 0.372,545 0.339,546 0.207,547 0.156,548 8929,549 26819,550 2.124,551 36.6,552 6,553 4,554 3,556 1,557 1,561 1.684,562 2,563 3.505,564 -0.218,565 1,566 1,570 71.918,571 1.754,572 4.106,573 4.735,574 4.93,575 4.93,576 4.93,577 2.988,578 4.104,579 4.668,580 3.692,581 1199.78,582 8.058,583 15277.4,584 1,585 1,587 1,588 219.66,589 1.37,590 4.637,591 0.172,592 0.009,593 0.076,594 0.04,595 0.048,596 0.021,597 0.014,598 0.015,599 0.01,600 0.008,601 0.413,602 0.33,603 1,604 0.721,605 128.978,606 0.124,607 0.057,608 0.068,609 0.027,610 -0.015,611 0.005,612 0.2,613 0.073,614 0.105,615 0.049,616 0.083,617 0.086,618 -0.078,619 -0.176,620 -0.014,621 -0.1,622 0.014,623 -0.062,624 0.164,625 0.16,626 -0.01,627 0.056,628 0.119,629 0.01,630 0.185,631 0.027,632 -0.182,633 -0.141,634 0.104,635 -0.076,636 -0.2,637 -0.122,638 -0.157,639 -0.081,640 -0.091,641 -0.091,642 0.03,643 -0.032,644 0.017,645 -0.068,646 -0.052,647 -0.029,648 -0.037,649 -0.13,650 0.137,651 0.067,652 0.003,653 0.076,654 1.909,655 5.559,656 0.769,657 26.769,658 1.016,659 1.129,660 2.855,661 8.149,662 0.712,663 3.401,664 3.738,665 4.025,666 4.277,667 4.431,668 4.543,669 4.635,670 4.787,671 4.913,672 4.927,673 6.886,674 0.687,675 365.46,676 3.401,677 4.949,678 5.808,679 6.688,680 7.563,681 8.446,682 9.326,683 10.212,684 11.094,685 11.982,686 17.1,693 1,694 1,695 1,696 4,701 1,702 4,703 1,705 1,706 3,708 10,724 41,726 16,728 29,730 44,731 17,732 4,735 10,737 4,738 5,743 2,751 14,752 3,753 1,754 6,758 1,759 6,760 1,761 4,763 1,764 1,767 15,768 7,769 1,770 9,771 1,773 7,775 1,777 0.75,778 1,788 2,789 2,793 1,799 1,802 4,803 2,810 3,813 1,815 2,819 26,831 1,832 1,835 1,839 2.4,842 1,846 13,847 8.2,848 5.639,849 2.443,850 3.59,851 1.477,852 1.001,853 4.435,854 11.113,855 3.714,856 4.284,857 4.885,858 5.428,859 5.773,860 6.18,861 6.554,862 6.992,863 7.43,864 7.74,865 0.875,866 39,867 9.543,869 4.076,870 0.006,871 7.782,872 17.995,874 14.62,876 2.282,877 59.333,881 164.795,882 131.995,883 103.102,885 25.145,887 31.278,888 100.717,889 189.94,890 103.102,891 17.65,892 21.219,893 45.554,894 99.759,895 44.782,896 35.313,897 160.76,899 164.795,900 203.82,901 25.145,902 31.278,904 167.123,905 25.145,908 57.787,909 39.148,910 104.557,911 31.278,912 164.795,913 128.247,914 131.995,917 164.795,918 50.696,919 84.424,920 16.54,921 108.582,922 164.795,923 128.247,924 131.995,926 0.587,927 0.347,928 0.184,929 0.091,930 21,931 9,932 0.091,933 4,934 1,935 1.1,936 3.902,937 218.43,938 0.1,939 20,940 120.211,941 1,944 16.738,945 6.889,946 3.362,948 111.707,949 2.075,950 15.696,951 2.352,953 1.612,954 2.271,956 16.54,957 425.038,958 40,962 12.559,963 10.774,964 4.335,965 1.536,967 41.651,968 46.278,969 0.327,970 0.766,971 0.884,972 0.92,973 0.92,974 0.92,975 4.959,976 1.204,977 5.796,978 4.407,979 4.419,980 4.97,981 1.671,982 6.611,983 4.325,984 6.173,985 1.025,986 7.359,987 2.817,988 4.007,989 4.62,990 0.325,991 7.516,992 3.887,993 7.477,994 0.893,995 9.022,996 2.434,997 6.019,998 7.101,999 1.797,1000 10.612,1001 5.838,1002 8.816,1003 0.668,1004 10.744,1005 2.092,1006 6.447,1007 7.62,1008 0.766,1009 12.347,1010 6.236,1011 10.186,1012 0.618,1013 12.503,1014 1.624,1015 7.903,1016 9.478,1017 2.028,1018 14.96,1019 7.643,1020 11.578,1021 0.535,1022 14.288,1023 1.372,1024 8.703,1025 10.407,1026 1.259,1027 17.04,1028 8.411,1029 12.986,1030 -0.043,1031 16.092,1032 1.32,1033 9.95,1034 11.995,1035 2.324,1036 19.496,1037 9.615,1038 3.182,1039 -0.325,1040 17.91,1041 -0.107,1042 10.923,1043 13.132,1044 1.765,1045 21.732,1046 10.555,1047 2.855,1048 10.92,1049 19.74,1050 -0.838,1051 12.09,1052 14.596,1053 2.665,1054 24.134,1055 11.683,1056 2.722,1057 8.856,1058 21.579,1059 3.975,1060 13.145,1061 15.84,1062 2.27,1063 26.444,1064 12.704,1065 2.362,1066 8.559,1067 23.426,1068 3.812,1069 14.284,1070 17.246,1071 3.036,1072 28.829,1073 13.807,1074 2.166,1075 6.943,1076 25.281,1077 3.562,1078 15.38,1079 18.545,1080 2.771,1081 31.176,1082 14.869,1083 1.878,1084 6.292,1085 27.141,1086 3.081,1087 16.512,1088 19.924,1089 3.429,1090 33.558,1091 15.966,1092 1.686,1093 5.435,1094 29.006,1095 2.695,1096 17.628,1097 21.251,1098 3.266,1099 35.924,1100 17.049,1101 8406,1102 14823,1103 19.592,1104 29.188,1105 45.595,1106 44.811,1107 44.33,1108 43.497,1109 43.589,1110 57.671,1111 4.511,1112 126.144,1113 41.484,1114 5.389,1115 5.76,1116 6.339,1117 5.225,1118 5.182,1119 6.831,1120 2.38,1121 18.343,1122 5.02,1123 11.64,1124 1.572,1125 1.545,1126 1.529,1127 1.5,1128 1.503,1129 1.989,1130 0.156,1131 4.35,1132 1.43,1133 4.004,1134 4.046,1135 4.229,1136 3.926,1137 7.428,1138 3.899,1139 3.887,1140 3.923,1141 3.956,1142 3.799,1143 5.264,1144 3.785,1145 3.761,1146 3.836,1147 3.734,1148 3.571,1149 4.876,1150 3.592,1151 3.519,1152 3.578,1153 3.435,1154 3.37,1155 4.777,1156 3.345,1157 3.38,1158 3.429,1159 3.368,1160 3.16,1161 4.383,1162 3.195,1163 3.125,1164 3.186,1165 3.046,1166 2.996,1167 4.13,1168 2.984,1169 2.989,1170 3.025,1171 2.946,1172 2.812,1173 3.958,1174 2.827,1175 2.874,1176 3.009,1177 2.576,1178 2.618,1179 3.749,1180 2.57,1181 0.155,1182 0.13,1183 0.233,1184 0.143,1185 0.11,1186 4.495,1187 0.137,1188 3.782,1189 0.043,1190 6.743,1191 0.377,1192 4.147,1193 0.106,1194 3.182,1195 3.975,1196 1.257,1197 10.92,1198 3.072,1199 1.894,1200 1.864,1201 1.972,1202 2.037,1203 1.156,1204 2.016,1205 1.712,1206 1.66,1207 1.938,1208 1.865,1209 1.061,1210 1.893,1211 1.625,1212 1.603,1213 1.695,1214 1.74,1215 0.78,1216 1.738,1217 1.395,1218 1.376,1219 1.488,1220 1.616,1221 0.606,1222 1.543,1223 1.13,1224 1.086,1225 1.417,1226 1.5,1227 0.469,1228 1.491,1229 1.085,1230 0.963,1231 1.273,1232 1.263,1233 0.427,1234 1.31,1235 1.005,1236 0.937,1237 1.244,1238 1.239,1239 0.239,1240 1.308,1241 0.934,1242 0.849,1243 1.177,1244 1.23,1245 0.013,1246 1.208,1247 4.078,1249 5.407,1250 3.045,1251 6.921,1252 5.209,1253 8.523,1254 7.14,1255 10.178,1257 4.246,1267 0.415,1268 1.462,1272 28.159,1273 71.918,1274 168.357,1275 194.15,1276 202.15,1277 202.15,1278 202.15,1279 37.679,1280 7.523,1281 101.72,1282 129.96,1283 22,1284 12.513,1285 4.087,1286 3.585,1287 38.354,1288 110,1289 98,1290 0.175,1291 177.68,1292 309.32,1293 425.299,1294 19072,1296 18.096,1297 0.696,1298 0.574,1299 18.449,1300 14.935,1301 12.614,1302 0.435,1303 0.306,1304 7.955,1305 11.595,1306 7.651,1307 6.404,1308 13.068,1309 8.883,1310 11.508,1311 0.281,1312 0.168,1313 12.086,1314 6.889,1315 9.884,1316 0.18,1317 0.085,1318 10.543,1319 4.698,1320 8.161,1321 0.115,1322 0.047,1323 8.909,1324 3.305,1325 5.991,1326 0.072,1327 0.025,1328 6.536,1329 2.089,1330 0.28,1331 84.112,1332 0.226,1333 25.477,1334 0.464,1335 140,1336 442.799,1337 178.014,1338 453.841,1339 627.64,1340 424,1341 166,1342 466.485,1343 201.298,1344 483.617,1345 703.42,1346 453,1347 4.658}
{0 CHEMBL1375,1 1.749,2 4.273,3 1.831,4 3.354,5 39.315,6 10.786,7 0.545,8 2.922,9 2.961,10 2.736,11 2.492,12 4.387,13 2.518,14 3.263,15 3.306,16 3.121,17 2.806,18 4.965,19 2.813,20 3.497,21 3.584,22 3.127,23 2.827,24 5.036,25 2.824,26 3.438,27 3.535,28 2.975,29 2.488,30 5.306,31 2.512,32 3.103,33 3.241,34 2.796,35 1.882,36 4.998,37 1.952,38 2.152,39 2.382,40 0.598,41 1.085,42 3.267,43 0.856,44 0.635,45 0.899,46 0.007,47 0.135,48 0.693,49 0.067,56 0.17,57 0.177,58 1.371,59 1.385,60 28.422,61 1.039,62 0.245,63 0.25,64 1.531,65 2.051,66 43.154,67 1.851,68 0.35,69 0.29,70 6.323,71 2.802,72 54.78,73 2.436,74 0.493,75 0.248,76 6.184,77 2.501,78 84.72,79 2.043,80 0.439,81 0.156,82 7.512,83 1.847,84 66.438,85 1.38,86 0.147,87 0.053,88 5.458,89 0.855,90 22.724,91 0.893,92 0.014,93 0.009,94 0.663,95 0.115,96 2.398,97 0.21,104 18,105 15,106 0.405,107 0.73,108 0.828,109 0.926,110 0.926,111 0.926,112 2.524,113 0.874,114 -3.47,115 -3.45,116 -3.3,118 43.8,137 3,138 1,139 2,150 1,158 1,161 1,162 2,163 1,166 1,169 1,171 3,174 4,175 1,179 1,184 3,185 1,187 4,188 1,192 1,195 1,196 1,197 1,201 2,204 2,209 3,272 87,273 6.845,274 6.845,275 6.845,276 6.845,277 6.845,278 5.872,279 6.036,280 3.988,281 7.02,282 5.385,283 5.385,284 5.385,285 5.385,286 5.385,287 3.968,288 4.052,289 1.86,290 5.727,291 2.251,292 0.844,293 0.422,297 3.102,298 1,301 1,302 89,303 2.121,307 34.381,314 0.661,315 20.336,318 1,319 0.83,320 0.83,321 0.4,323 1,324 1,325 0.72,326 25.333,327 47,328 4.338,329 3.616,330 6.36,331 3.942,332 2.965,333 3.985,334 1.437,335 9.52,336 2.888,337 3.561,338 2.945,339 4.962,340 3.083,341 2.181,342 2.894,344 5.791,345 1.931,346 3.227,347 2.532,348 4.685,349 2.778,350 1.837,351 2.428,353 4.726,354 1.642,355 2.532,356 1.349,357 3.606,358 2.005,359 1,360 1.475,362 2.423,363 0.994,364 1.363,365 0.718,366 2.373,367 0.932,368 0.082,369 0.098,371 0.175,372 0.06,373 0.698,374 0.43,375 2.31,376 0.21,377 -0.753,378 -0.921,380 -2,381 -0.557,382 0.411,383 -0.208,384 1.623,385 -0.018,386 -1,387 -1.234,389 -2.025,390 -0.848,391 0.182,392 -0.769,393 1.319,394 -0.236,395 -1,396 -1.432,398 -2.596,399 -0.981,400 -0.245,401 -1.302,402 1.085,403 -0.68,404 -1.546,405 -2.031,407 -3.9,408 -1.372,409 -0.5,410 -1.631,411 1,412 -0.816,413 -1.766,414 -2.261,416 -5.759,417 -1.757,418 -0.567,419 -2,420 0.677,421 -1,422 -2,423 -3,424 -1.437,425 -6.355,426 -2,463 5.214,464 0.474,465 0.391,466 0.036,467 14.5,468 1.318,469 8,470 0.727,471 6.5,472 0.591,473 5.498,474 0.5,475 12.186,476 0.762,477 8.811,478 0.801,479 3.118,480 0.283,481 1.991,482 0.181,483 0.329,485 0.384,490 0.932,491 0.814,492 0.561,493 0.617,494 0.947,495 0.62,496 0.553,497 1.129,498 0.59,499 0.888,500 0.51,501 0.883,502 1.053,503 1.25,504 1.151,505 1.211,506 0.984,507 1.165,508 1.154,509 1.158,510 1.066,511 1.045,512 1.15,513 1.136,514 1.164,515 0.688,516 0.981,517 1.039,518 1.381,519 0.91,520 1.554,521 0.324,522 2.676,523 1.246,524 1.404,525 1.438,538 3,540 1.556,541 0.938,542 0.653,543 0.125,548 505,549 3013,550 1.801,551 31.3,553 3,556 2,561 1.433,562 1.61,563 2.255,564 0.748,570 27.984,571 1.749,572 3.156,573 3.578,574 4,575 4,576 4,577 1.495,578 2.914,579 3.435,580 2.24,581 123.186,582 5.624,583 832.382,588 64,589 1.573,590 3.322,591 0.273,593 0.104,594 0.067,595 0.065,596 0.025,601 0.534,602 1,603 1,604 1.16,605 36.028,606 -0.22,607 0.241,608 -0.066,609 0.23,610 -0.254,611 0.151,612 0.135,613 -0.107,614 0.017,615 -0.028,616 0.178,617 -0.082,618 -0.229,619 -0.314,620 -0.232,621 -0.29,622 -0.179,623 -0.261,624 -0.03,625 -0.266,626 -0.111,627 -0.117,628 -0.002,629 -0.217,630 0.15,631 0.146,632 0.361,633 -0.02,634 -0.027,635 0.173,636 -0.499,637 0.449,638 -0.786,639 -0.055,640 -0.421,641 -0.051,642 0.633,643 0.864,644 1.298,645 1.142,646 0.618,647 1.947,654 2.856,655 3.355,656 0.545,657 4.446,658 1.06,659 1.114,660 2.245,661 5.039,662 0.719,663 2.485,664 2.773,665 2.89,666 2.996,667 3.045,668 2.485,669 2.079,670 1.099,673 2.96,674 0.722,675 172.57,676 2.485,677 3.97,678 4.762,679 5.609,680 6.428,681 7.272,682 8.099,683 8.939,684 9.77,685 10.608,701 3,706 3,708 6,716 1,721 1,723 1,724 16,726 7,727 1,728 11,730 16,731 7,732 6,733 3,734 3,735 1,737 1,738 1,739 1,751 7,754 1,758 1,761 1,767 5,768 3,769 2,770 4,771 1,777 1,778 3,789 1,808 1,810 1,816 1,819 11,826 2,838 1,839 18.8,841 2,842 1,846 6.833,847 2.71,848 2.472,849 0.747,850 1.376,851 1.291,852 0.836,853 2.241,854 6.112,855 2.773,856 3.35,857 3.812,858 4.275,859 4.707,860 4.407,861 4.239,862 3.169,865 0.667,866 14,867 4.003,868 -0.011,869 1.69,870 -0.014,871 8.753,872 6.907,873 -0.005,874 5.198,875 -0.008,876 3.253,877 35.778,878 0.004,881 35.313,882 36.025,884 39.149,885 110.512,888 36.025,889 184.974,893 28.429,894 111.421,895 6.686,897 35.313,898 39.149,899 35.313,900 36.025,901 110.512,902 39.149,904 35.313,905 110.512,909 36.025,910 39.149,912 35.313,913 110.512,914 75.173,917 35.313,918 7.596,919 28.429,921 149.66,922 35.313,923 110.512,924 75.173,926 0.587,927 0.328,928 0.16,929 0.084,930 7,931 4,932 0.063,933 1,935 1,936 2.154,937 56.711,939 6,940 38.054,944 8.203,945 3.006,946 1.772,948 110.512,949 3.855,954 -0.167,956 85.367,957 220.998,958 15,962 10.355,965 -1.19,967 16.956,968 17.818,969 0.437,970 0.789,971 0.894,972 1,973 1,974 1,975 3.961,976 -1,977 4.779,978 -2.025,979 3.434,980 4.025,981 1.635,982 5.549,983 3.322,984 5.194,985 -1.546,986 6.337,987 -2.596,988 3.219,989 3.98,991 6.457,992 2.994,993 6.506,994 -1.766,995 7.995,996 -3.9,997 4.99,998 6.203,999 2.253,1000 9.466,1001 4.815,1002 7.851,1003 -2,1004 9.708,1005 -5.759,1006 5.485,1007 6.861,1009 11.147,1010 5.229,1011 9.221,1013 11.454,1014 -6.355,1015 6.843,1016 8.658,1017 2.922,1018 13.71,1019 6.627,1020 10.609,1022 13.224,1024 7.657,1025 9.65,1027 15.72,1028 7.39,1029 12.012,1031 15.012,1033 8.853,1034 11.256,1035 3.619,1036 18.105,1037 8.603,1038 2.965,1040 16.814,1042 9.815,1043 12.425,1045 20.256,1046 9.528,1047 2.181,1048 9.52,1049 18.626,1051 10.946,1052 13.931,1053 4.33,1054 22.565,1055 10.658,1056 1.837,1057 5.791,1058 20.447,1059 3.985,1060 11.976,1061 15.196,1063 24.776,1064 11.658,1065 1,1066 4.726,1067 22.275,1068 2.894,1069 13.08,1070 16.648,1071 5.047,1072 27.054,1073 12.75,1074 0.082,1075 2.423,1076 24.108,1077 2.428,1078 14.141,1079 17.965,1081 29.289,1082 13.783,1083 -0.753,1084 0.175,1085 25.945,1086 1.475,1087 15.234,1088 19.387,1089 5.769,1090 31.553,1091 14.858,1092 -1,1093 -2,1094 27.785,1095 0.098,1096 16.309,1097 20.733,1099 33.799,1100 15.906,1101 609,1102 1522,1103 6.474,1104 11.506,1105 16.406,1106 17.158,1107 17.408,1108 16.208,1109 16.129,1110 21.761,1111 2.873,1112 45.27,1113 15.031,1114 4.905,1115 5.616,1116 5.683,1117 4.942,1118 4.965,1119 6.985,1120 2.873,1121 15.875,1122 4.888,1123 6.6,1124 1.491,1125 1.56,1126 1.583,1127 1.473,1128 1.466,1129 1.978,1130 0.261,1131 4.115,1132 1.366,1133 3.924,1134 3.931,1135 4.012,1136 3.856,1137 7.475,1138 3.857,1139 3.284,1140 3.266,1141 3.467,1142 3.041,1143 6.469,1144 3.08,1145 2.958,1146 2.969,1147 3.117,1148 2.798,1149 6.35,1150 2.795,1151 2.648,1152 2.691,1153 2.497,1154 2.336,1155 4.885,1156 2.386,1157 2.151,1158 2.208,1159 2.429,1160 1.672,1161 4.114,1162 1.689,1163 1.99,1164 2.035,1165 1.81,1166 1.345,1167 3.576,1168 1.422,1169 1.581,1170 1.669,1171 1.642,1172 1.303,1173 2.914,1174 1.242,1175 1.365,1176 1.517,1177 0.88,1178 0.96,1179 1.93,1180 0.923,1181 0.394,1182 0.329,1183 0.578,1184 0.358,1185 0.27,1186 4.338,1187 0.362,1188 3.616,1189 0.131,1190 6.36,1191 0.865,1192 3.942,1193 0.263,1194 2.965,1195 3.985,1196 1.437,1197 9.52,1198 2.888,1199 1.88,1200 1.87,1201 1.944,1202 1.97,1203 1.05,1204 1.966,1205 1.117,1206 1.122,1207 1.245,1208 1.42,1209 0.227,1210 1.351,1211 0.865,1212 0.842,1213 1.029,1214 1.105,1215 0.028,1216 1.085,1217 0.517,1218 0.491,1219 0.812,1220 0.896,1222 0.891,1225 0.5,1226 0.488,1228 0.488,1231 0.308,1232 0.336,1234 0.323,1247 3.135,1249 4.419,1251 5.9,1253 7.475,1255 9.096,1258 5.486,1262 17.437,1272 11.552,1273 27.984,1274 50.49,1275 57.245,1276 64,1277 64,1278 64,1279 21.442,1280 4.736,1281 57.53,1282 57.53,1283 6,1284 11.176,1285 3,1286 2.322,1287 19.006,1288 19,1289 15,1290 0.554,1291 79.135,1292 137.42,1293 184.85,1294 399,1295 6.3,1296 8.431,1297 0.766,1298 0.561,1299 8.931,1300 6.169,1301 5.109,1302 0.464,1303 0.291,1304 2.814,1305 4.591,1306 2.735,1307 2.257,1308 5.398,1309 3.206,1310 4.803,1311 0.32,1312 0.16,1313 5.212,1314 2.403,1315 3.377,1316 0.199,1317 0.084,1318 3.639,1319 1.424,1320 2.505,1321 0.132,1322 0.045,1323 2.725,1324 0.852,1325 1.898,1326 0.095,1327 0.027,1328 2.282,1329 0.544,1330 0.776,1331 35.562,1332 0.393,1333 10.781,1334 1.79,1335 52,1336 232.238,1337 74.051,1338 249.847,1339 307.25,1340 226,1341 58,1342 183.56,1343 73.074,1344 194.428,1345 278.83,1346 181,1347 4.33}
{0 CHEMBL139,1 1.728,2 7.263,3 4.348,4 18.906,5 75.461,6 9.872,7 0.6,8 3.506,9 3.589,10 3.291,11 3.156,12 4.761,13 3.131,14 3.947,15 4.051,16 3.681,17 3.518,18 5.308,19 3.464,20 4.223,21 4.374,22 3.815,23 3.623,24 5.451,25 3.544,26 4.199,27 4.377,28 3.823,29 3.574,30 5.416,31 3.469,32 4.131,33 4.306,34 3.631,35 3.483,36 5.439,37 3.407,38 4.081,39 4.221,40 3.662,41 3.479,42 5.411,43 3.39,44 4,45 4.161,46 3.372,47 3.318,48 5.251,49 3.169,50 3.699,51 3.89,52 3.254,53 2.719,54 5.364,55 2.653,56 0.093,57 0.364,58 3.319,59 2.399,60 11.128,61 2.633,62 0.198,63 0.558,64 6.014,65 4.041,66 31.875,67 4.783,68 0.381,69 0.704,70 15.07,71 5.678,72 45.847,73 6.224,74 0.366,75 0.693,76 21.905,77 5.924,78 33.55,79 6.781,80 0.362,81 0.628,82 15.433,83 5.575,84 36.622,85 6.546,86 0.339,87 0.552,88 13.893,89 5.322,90 47.044,91 5.525,92 0.337,93 0.472,94 20.907,95 5.534,96 41.184,97 6.127,98 0.459,99 0.349,100 15.331,101 4.052,102 54.286,103 4.456,104 19,105 27,106 0.329,107 0.635,108 0.729,109 0.841,110 0.871,111 0.871,112 3.01,113 0.951,114 -5.22,115 -5.11,116 -4.78,118 46.7,120 1,137 7,138 1,139 4,150 1,158 1,161 1,162 7,163 1,166 1,169 1,171 3,174 8,175 1,179 1,184 8,187 6,188 1,192 1,197 3,198 1,200 4,201 2,204 2,207 1,208 1,209 2,212 8,213 1,217 1,222 1,225 14,239 7,240 4,245 4,250 4,253 1,254 1,259 1,264 1,272 424,273 12.483,274 12.483,275 12.483,276 12.483,277 12.483,278 10.668,279 13.04,280 7.491,281 12.761,282 9.866,283 9.866,284 9.866,285 9.866,286 9.866,287 7.288,288 17.523,289 3.547,290 10.446,291 3.179,292 1.577,293 1.08,294 0.492,295 0.333,296 0.333,297 3.664,298 2,300 1,301 1,302 281,303 2.739,307 122.315,314 1.014,315 22.455,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 41.167,327 138,328 4.375,329 3.644,330 6.441,331 3.966,332 3.029,333 4.024,334 2.397,335 9.9,336 2.864,337 4.154,338 3.375,339 6.106,340 3.74,341 2.779,342 3.768,343 0.4,344 8.881,345 2.589,346 3.495,347 2.913,348 4.841,349 3.119,350 2.12,351 2.68,352 0.242,353 5.339,354 2.089,355 3.232,356 2.623,357 4.761,358 2.707,359 1.879,360 2.481,362 5.104,363 1.54,364 2.983,365 1.897,366 4.205,367 2.56,368 1.584,369 2.173,371 3.933,372 1.441,373 2.849,374 1.546,375 3.91,376 2.387,377 1.386,378 1.99,380 3.215,381 1.384,382 2.769,383 1.363,384 3.604,385 2.304,386 1.313,387 1.88,389 2.949,390 1.296,391 1.717,392 1.094,393 3.032,394 1.369,395 0.494,396 0.58,398 1.162,399 0.388,400 1.278,401 0.74,402 2.521,403 0.93,409 1,410 0.315,411 2.352,412 0.473,413 -0.347,414 -0.445,416 -0.757,417 -0.229,418 0.788,419 0.173,420 2.175,421 0.373,422 -0.567,423 -0.687,425 -1.45,426 -0.478,427 0.543,428 -0.141,429 2,430 0.052,431 -1,432 -1.226,434 -2,435 -0.864,436 0.258,437 -0.664,438 1.549,439 -0.068,440 -1,441 -1.428,443 -2.498,444 -0.933,445 0.218,446 -0.847,447 1.353,448 -0.203,449 -1.12,450 -1.542,452 -2.832,453 -1.052,454 0.044,455 -1.182,456 1.213,457 -0.507,458 -1.278,459 -1.789,461 -3.549,462 -1.207,463 9.495,464 0.5,465 0.511,466 0.027,467 25.5,468 1.342,469 14,470 0.737,471 11.5,472 0.605,473 13.24,474 0.697,475 19.905,476 0.663,477 16.922,478 0.891,479 5.265,480 0.277,481 3.811,482 0.201,483 0.221,485 0.316,490 0.738,491 0.988,492 0.527,493 0.694,494 0.722,495 0.718,496 0.494,497 1.276,498 0.608,499 0.919,500 0.433,501 0.955,502 0.975,503 1.159,504 0.947,505 0.972,506 0.991,507 1.012,508 0.896,509 1.032,510 1.045,511 0.999,512 0.66,513 1.014,514 0.875,515 0.801,516 0.803,517 0.807,518 0.918,519 0.831,520 1.356,521 0.915,522 1.081,523 0.9,524 1.431,525 0.973,526 1.358,527 1.032,528 1.8,529 1.438,530 1.243,531 1.369,532 0.687,533 0.999,534 0.97,535 1.402,536 0.867,537 1.112,538 4,540 2.222,541 1.188,542 1.236,543 0.576,544 0.306,545 0.335,546 0.054,547 0.031,548 2840,549 11675,550 1.965,551 36.7,553 7,556 2,557 2,561 1.608,562 1.81,563 2.887,564 0.393,566 1,570 51.85,571 1.728,572 3.33,573 3.827,574 4.415,575 4.574,576 4.574,577 2.215,578 3.827,579 4.223,580 3.001,581 513.242,582 7.217,583 5095.19,585 1,587 1,588 147.207,589 1.509,590 4.159,591 0.2,593 0.082,594 0.044,595 0.051,596 0.024,597 0.014,598 0.022,599 0.005,600 0.016,601 0.459,602 0.67,603 1,604 1.144,605 81.518,606 -0.104,607 0.085,608 -0.018,609 0.096,610 -0.118,611 0.066,612 0.15,613 -0.246,614 0.019,615 -0.084,616 0.186,617 -0.111,618 -0.087,619 -0.129,620 -0.052,621 -0.054,622 -0.147,623 -0.096,624 -0.057,625 -0.003,626 0.023,627 -0.032,628 0.008,629 -0.038,630 0.045,631 0.181,632 0.06,633 0.151,634 0.04,635 0.152,636 -0.252,637 0.003,638 -0.081,639 0.083,640 -0.241,641 -0.024,642 -0.266,643 -0.184,644 -0.41,645 -0.358,646 -0.246,647 -0.33,648 0.652,649 -0.148,650 0.256,651 -0.32,652 0.595,653 -0.026,654 2.556,655 3.827,656 0.632,657 11.983,658 1.024,659 1.11,660 3.988,661 15.9,662 0.74,663 3.045,664 3.332,665 3.526,666 3.738,667 3.912,668 3.829,669 3.784,670 3.807,671 3.638,672 3.497,673 4.642,674 0.709,675 296.16,676 3.045,677 4.554,678 5.371,679 6.229,680 7.069,681 7.931,682 8.781,683 9.644,684 10.497,685 11.36,686 3.3,694 1,701 7,706 5,708 12,718 1,723 2,724 30,726 13,727 2,728 20,730 31,731 14,732 12,733 5,734 7,737 2,738 2,739 2,749 1,751 13,752 1,754 1,758 1,761 1,764 1,767 11,768 3,769 2,770 5,771 2,773 1,777 1,778 2,789 2,800 1,808 1,810 2,816 2,819 19,826 1,827 1,828 1,838 2,839 6.7,841 1,842 1,846 10.5,847 5.236,848 4.25,849 1.614,850 2.499,851 1.406,852 0.946,853 4.557,854 8.658,855 3.332,856 3.912,857 4.388,858 4.907,859 5.407,860 5.426,861 5.622,862 5.977,863 6.188,864 6.347,865 0.8,866 27,867 6.961,869 2.911,870 0.006,871 8.091,872 12.819,874 10.109,876 2.591,877 49.222,881 105.94,882 85.478,883 18.011,884 78.297,885 67.828,888 85.478,889 252.065,890 18.011,892 2.535,893 66.334,894 68.738,895 33.711,897 105.94,898 78.297,899 105.94,900 103.489,901 67.828,902 78.297,904 105.94,905 67.828,908 20.545,909 82.944,910 78.297,912 105.94,913 85.839,914 163.776,917 105.94,918 19.145,919 66.334,920 18.011,921 146.126,922 105.94,923 85.839,924 163.776,926 0.575,927 0.32,928 0.174,929 0.097,930 12,931 6,932 0.129,933 4,935 1,936 3.047,937 133.126,939 12,940 74.711,944 14.029,945 6.171,946 3.548,948 85.839,949 12.333,954 2.893,956 60.694,957 355.555,958 27,962 10.827,965 -0.889,967 30.705,968 33.296,969 0.352,970 0.679,971 0.78,972 0.9,973 0.932,974 0.932,975 4.533,976 0.494,977 5.352,978 2.949,979 4.007,980 4.595,981 2.38,982 6.125,983 3.891,984 5.741,986 6.893,987 1.162,988 3.611,989 4.388,990 2.243,991 6.986,992 3.345,993 7.039,994 -0.347,995 8.537,997 5.557,998 6.751,999 3.743,1000 10.06,1001 5.343,1002 8.371,1003 -0.567,1004 10.242,1005 -0.757,1006 5.943,1007 7.305,1008 4.213,1009 11.747,1010 5.571,1011 9.731,1012 -1,1013 11.986,1014 -1.45,1015 7.398,1016 9.185,1017 5.351,1018 14.334,1019 7.072,1020 11.112,1021 -1,1022 13.757,1023 -2,1024 8.157,1025 10.116,1026 6.05,1027 16.355,1028 7.692,1029 12.51,1030 -1.12,1031 15.547,1032 -2.498,1033 9.404,1034 11.768,1035 7.042,1036 18.756,1037 8.954,1038 3.029,1039 -1.278,1040 17.352,1041 -2.832,1042 10.339,1043 12.898,1044 7.838,1045 20.918,1046 9.776,1047 2.779,1048 9.9,1049 19.167,1050 -3.549,1051 11.495,1052 14.429,1053 8.766,1054 23.244,1055 10.92,1056 2.12,1057 8.881,1058 20.99,1059 4.024,1060 12.514,1061 15.666,1062 9.604,1063 25.467,1064 11.846,1065 1.879,1066 5.339,1067 22.819,1068 3.768,1069 13.631,1070 17.131,1071 10.503,1072 27.763,1073 12.933,1074 1.584,1075 5.104,1076 24.653,1077 2.68,1078 14.688,1079 18.428,1080 11.361,1081 30.015,1082 13.913,1083 1.386,1084 3.933,1085 26.49,1086 2.481,1087 15.79,1088 19.854,1089 12.247,1090 32.299,1091 14.973,1092 1.313,1093 3.215,1094 28.329,1095 2.173,1096 16.866,1097 21.186,1098 13.113,1099 34.564,1100 15.982,1101 2947,1102 6052,1103 12.83,1104 22.199,1105 29.549,1106 30.704,1107 30.598,1108 29.423,1109 29.168,1110 39.152,1111 6.079,1112 80.965,1113 27.182,1114 5.181,1115 5.644,1116 6.125,1117 4.969,1118 5.029,1119 7.024,1120 4.03,1121 16.459,1122 4.864,1123 10.35,1124 1.477,1125 1.535,1126 1.53,1127 1.471,1128 1.458,1129 1.958,1130 0.304,1131 4.048,1132 1.359,1133 3.987,1134 4.014,1135 4.107,1136 3.919,1137 7.474,1138 3.917,1139 3.84,1140 3.859,1141 3.851,1142 3.795,1143 6.351,1144 3.785,1145 3.457,1146 3.467,1147 3.582,1148 3.235,1149 5.029,1150 3.26,1151 3.083,1152 3.158,1153 3.385,1154 2.911,1155 4.724,1156 2.917,1157 2.901,1158 2.918,1159 3.069,1160 2.849,1161 4.632,1162 2.815,1163 2.84,1164 2.882,1165 2.921,1166 2.669,1167 4.115,1168 2.664,1169 2.72,1170 2.758,1171 2.711,1172 2.582,1173 3.958,1174 2.591,1175 2.361,1176 2.457,1177 2.387,1178 1.994,1179 3.721,1180 2.005,1181 0.219,1182 0.182,1183 0.322,1184 0.198,1185 0.151,1186 4.375,1187 0.201,1188 3.644,1189 0.12,1190 6.441,1191 0.495,1192 3.966,1193 0.143,1194 3.029,1195 4.024,1196 2.397,1197 9.9,1198 2.864,1199 1.947,1200 1.922,1201 2.04,1202 2.038,1203 1.186,1204 2.043,1205 1.832,1206 1.814,1207 1.908,1208 1.899,1209 1.037,1210 1.915,1211 1.358,1212 1.334,1213 1.561,1214 1.611,1215 0.686,1216 1.582,1217 1.039,1218 0.976,1219 1.241,1220 1.27,1221 0.293,1222 1.271,1223 0.849,1224 0.827,1225 1.058,1226 1.046,1227 0.115,1228 1.045,1229 0.798,1230 0.752,1231 1,1232 0.962,1233 0.105,1234 1.004,1235 0.668,1236 0.646,1237 0.851,1238 0.891,1240 0.908,1241 0.284,1242 0.189,1243 0.705,1244 0.65,1246 0.688,1247 3.714,1249 5.004,1251 6.491,1253 8.072,1255 9.701,1258 12.148,1262 8.887,1263 -0.064,1264 3.087,1272 21.267,1273 51.85,1274 99.904,1275 114.8,1276 132.452,1277 137.207,1278 137.207,1279 35.721,1280 6.159,1281 49.33,1282 49.33,1283 12,1284 11.91,1285 3.807,1286 3,1287 33.415,1288 52,1289 46,1290 0.322,1291 141.237,1292 244.76,1293 336.379,1294 3176,1295 6.7,1296 13.828,1297 0.728,1298 0.599,1299 14.828,1300 11.372,1301 9.075,1302 0.454,1303 0.317,1304 5.598,1305 8.287,1306 5.412,1307 4.471,1308 9.653,1309 6.34,1310 8.219,1311 0.304,1312 0.176,1313 8.961,1314 4.764,1315 6.196,1316 0.188,1317 0.097,1318 6.913,1319 3.211,1320 5.076,1321 0.124,1322 0.054,1323 5.792,1324 2.203,1325 3.944,1326 0.08,1327 0.027,1328 4.333,1329 1.344,1330 0.485,1331 62.366,1332 0.279,1333 18.725,1334 0.941,1335 94,1336 316.625,1337 131.521,1338 368.13,1339 467.63,1340 338,1341 107,1342 283.646,1343 136.226,1344 307.823,1345 444.81,1346 289,1347 5.565}
{0 CHEMBL1434,1 1.626,2 9.182,3 -0.268,4 0.072,5 121.587,6 7.625,7 0.167,8 4.21,9 4.315,10 3.759,11 3.682,12 5.431,13 3.689,14 4.761,15 4.923,16 4.228,17 4.158,18 5.916,19 4.156,20 5.117,21 5.242,22 4.543,23 4.454,24 6.449,25 4.45,26 5.412,27 5.583,28 4.667,29 4.562,30 6.872,31 4.546,32 5.474,33 5.648,34 4.559,35 4.555,36 6.856,37 4.516,38 5.452,39 5.671,40 4.448,41 4.458,42 6.822,43 4.402,44 5.336,45 5.547,46 4.127,47 4.27,48 6.625,49 4.198,50 5.108,51 5.382,52 4.034,53 4.053,54 6.352,55 3.966,56 0.222,57 0.86,58 12.417,59 5.525,60 39.387,61 6.798,62 0.433,63 1.424,64 23.555,65 9.385,66 66.49,67 12.243,68 0.715,69 1.913,70 32.944,71 14.043,72 136.932,73 17.461,74 1.568,75 2.289,76 49.767,77 17.117,78 304.842,79 22.581,80 1.891,81 2.326,82 54.784,83 17.522,84 315.97,85 22.611,86 1.64,87 2.211,88 55.841,89 16.851,90 288.722,91 23.465,92 1.765,93 1.855,94 51.468,95 14.099,96 298.883,97 18.772,98 1.152,99 1.523,100 42.051,101 12.235,102 187.962,103 18.481,104 154,105 58,106 0.264,107 0.651,108 0.793,109 0.849,110 0.849,111 0.849,112 3.534,113 0.875,114 -0.33,115 -0.46,116 -0.62,118 38.3,120 2,121 2,123 4,126 1,128 1,133 2,135 2,137 2,138 2,139 2,148 2,150 1,154 1,155 1,156 1,162 7,166 6,168 1,169 1,171 7,174 9,176 1,178 1,179 8,182 1,183 1,184 8,187 9,191 1,192 7,194 1,195 6,196 2,197 8,199 1,200 7,203 2,204 7,206 1,207 6,208 2,209 7,211 1,212 5,214 1,216 2,217 7,219 1,220 2,221 1,222 7,225 4,228 2,230 1,231 4,234 1,235 1,236 4,239 2,242 1,244 1,245 4,248 3,249 2,250 5,252 1,253 1,256 2,258 1,259 4,262 2,264 2,267 1,270 1,272 1384,273 20.868,274 20.868,275 20.868,276 20.868,277 20.868,278 19.226,279 28.871,280 11.227,281 21.12,282 17.566,283 17.566,284 17.566,285 17.566,286 17.566,287 14.854,288 33.961,289 5.121,290 17.994,291 4.281,292 1.904,293 1.03,294 0.684,295 0.684,296 0.684,297 4.211,300 1,301 1,302 636,303 4.301,307 233.923,311 283.816,314 1.41,315 77.815,318 0.75,319 0.5,320 0.83,321 0.8,322 1,323 0.67,324 0.5,325 0.72,326 74.5,327 303,328 4.936,329 4.366,330 8.193,331 4.77,332 3.789,333 4.372,334 1.91,335 15.884,336 3.711,337 4.639,338 3.818,339 7.056,340 4.293,341 3.31,342 4.183,343 1.408,344 12.057,345 3.254,346 4.268,347 3.492,348 6.769,349 3.977,350 2.976,351 3.683,352 0.98,353 10.781,354 2.977,355 3.956,356 3.39,357 6.457,358 3.685,359 2.724,360 3.205,361 0.8,362 9.691,363 2.619,364 3.845,365 3.123,366 6.4,367 3.631,368 2.654,369 2.947,370 0.744,371 9.356,372 2.59,373 3.672,374 2.829,375 5.99,376 3.409,377 2.442,378 2.929,379 0.71,380 8.162,381 2.351,382 3.186,383 2.752,384 5.382,385 2.993,386 2.008,387 2.304,389 6.191,390 1.974,391 3.113,392 2.624,393 4.955,394 2.742,395 1.771,396 2.175,398 5.003,399 1.714,400 2.998,401 2.211,402 4.943,403 2.651,404 1.639,405 2.033,407 4.544,408 1.641,409 2.861,410 2.099,411 4.808,412 2.553,413 1.578,414 1.834,416 4.062,417 1.52,418 2.727,419 2.007,420 4.532,421 2.445,422 1.468,423 1.703,425 4,426 1.415,427 2.446,428 1.494,429 3.953,430 2.095,431 1.132,432 1.414,434 2.786,435 1.083,436 1.943,437 1.327,438 3.749,439 1.556,440 0.574,441 0.687,443 1.59,444 0.549,445 1.386,446 0.857,447 3.445,448 1.215,449 0.234,450 0.249,452 0.669,453 0.227,454 1.284,455 0.733,456 3.36,457 0.989,458 0.012,459 0.014,461 0.029,462 0.011,463 15.033,464 0.456,465 1.425,466 0.043,467 36,468 1.091,469 14.5,470 0.439,471 21.5,472 0.652,473 38.681,474 1.172,475 37.767,476 0.629,477 38.246,478 1.159,479 7.193,480 0.218,481 8.14,482 0.247,483 0.315,484 0.033,485 0.519,490 0.885,491 1.265,492 0.82,493 1.047,494 0.821,495 0.932,496 0.696,497 0.882,498 0.658,499 0.818,500 0.551,501 0.717,502 0.809,503 1.299,504 0.844,505 1.279,506 0.85,507 1.109,508 0.84,509 1.136,510 0.866,511 1.13,512 0.853,513 1.028,514 1.199,515 1.041,516 1.18,517 1.094,518 1.316,519 1.137,520 0.968,521 1.038,522 0.976,523 1.049,524 0.885,525 1.018,526 1.513,527 0.909,528 1.351,529 0.938,530 1.574,531 1.081,532 0.562,533 0.839,534 0.626,535 0.822,536 0.548,537 0.755,538 8.5,539 0.132,540 6,541 5.375,542 4.684,543 2.903,544 1.173,545 0.957,546 0.587,547 0.502,548 11256,549 35364,550 1.932,551 45,552 5,553 15,556 6,559 1,561 1.763,562 1.685,563 3.142,564 3.186,566 1,570 97.583,571 1.626,572 4.003,573 4.877,574 5.223,575 5.223,576 5.223,577 2.688,578 4.62,579 5.018,580 3.321,581 1753.69,582 8.846,583 23637.5,588 354.413,589 1.559,590 4.891,591 0.236,592 0.006,593 0.103,594 0.072,595 0.059,596 0.042,597 0.019,598 0.023,599 0.014,600 0.016,601 0.589,602 0.33,603 0.88,604 0.998,605 167.277,606 -0.148,607 0.008,608 -0.017,609 0.115,610 -0.135,611 0.089,612 -0.031,613 0.328,614 0.189,615 0.279,616 0.047,617 0.306,618 0.039,619 -0.15,620 0.014,621 -0.144,622 0.013,623 -0.083,624 0.162,625 -0.106,626 0.085,627 -0.097,628 0.161,629 -0.038,630 -0.05,631 -0.042,632 -0.195,633 -0.099,634 -0.112,635 -0.179,636 0.029,637 -0.09,638 0.025,639 -0.081,640 0.099,641 -0.034,642 -0.271,643 0.002,644 -0.304,645 -0.011,646 -0.295,647 -0.145,648 0.247,649 0.039,650 0.396,651 0.122,652 0.221,653 0.269,654 3.876,655 6.683,656 0.545,657 26.544,658 1.02,659 1.132,660 -0.903,661 0.816,662 0.639,663 3.611,664 4.078,665 4.477,666 4.844,667 5.159,668 5.403,669 5.576,670 5.823,671 5.986,672 6.144,673 5.694,674 0.623,675 457.53,676 3.611,677 5.242,678 6.172,679 7.136,680 8.089,681 9.059,682 10.02,683 10.992,684 11.957,685 12.931,686 5,689 1,692 1,693 1,701 2,706 4,708 6,720 1,721 1,724 60,726 11,727 1,728 36,730 63,731 23,732 6,733 4,734 2,735 7,737 4,738 10,746 3,747 3,749 3,751 13,752 10,753 3,754 5,758 3,761 7,764 1,767 27,768 10,769 6,770 10,773 3,777 0.25,778 7,781 1,789 4,793 3,796 2,797 1,802 2,803 2,806 1,808 3,810 1,815 4,819 33,820 1,826 4,827 2,831 3,832 2,833 1,839 11.7,840 1,841 3,842 3,846 19.583,847 11.7,848 6.972,849 3.276,850 2.201,851 1.259,852 0.878,853 5.548,854 10.687,855 3.807,856 4.437,857 5.042,858 5.591,859 6.058,860 6.442,861 6.758,862 7.158,863 7.491,864 7.839,865 1,866 75,867 12.717,869 6.294,870 0.006,871 8.275,872 22.57,874 19.741,876 2.775,877 91.583,881 247.193,882 88.078,883 39.146,885 246.168,888 88.078,889 493.361,890 39.146,891 33.586,892 37.966,893 61.636,894 218.456,895 21.748,897 247.193,899 247.193,900 127.224,901 246.168,904 235.422,905 215.256,906 42.683,908 41.091,909 86.133,912 247.193,913 285.314,914 88.078,917 247.193,918 35.54,919 58.787,921 279.065,922 247.193,923 285.314,924 88.078,926 0.62,927 0.394,928 0.223,929 0.122,930 31,931 18,932 0.048,933 3,934 3,935 1.333,936 3.729,937 353.621,938 0.333,939 18,940 162.465,944 23.607,945 7.755,946 3.113,948 285.314,949 3.105,954 1.218,956 203.631,957 620.585,958 44,962 38.7,965 -5.617,967 61.2,968 67.943,969 0.275,970 0.678,971 0.826,972 0.884,973 0.884,974 0.884,975 5.168,976 1.771,977 6.267,978 6.191,979 4.762,980 5.124,981 2.794,982 7.284,983 4.721,984 6.44,985 1.639,986 7.975,987 5.003,988 4.796,989 5.263,990 1.424,991 8.714,992 4.721,993 7.823,994 1.578,995 9.79,996 4.544,997 6.592,998 7.336,999 3.465,1000 11.917,1001 6.518,1002 9.24,1003 1.468,1004 11.668,1005 4.062,1006 7.385,1007 8.22,1008 2.839,1009 14.162,1010 7.278,1011 10.69,1012 1.132,1013 13.587,1014 4,1015 8.787,1016 9.885,1017 4.41,1018 17.002,1019 8.676,1020 12.164,1021 0.574,1022 15.538,1023 2.786,1024 9.882,1025 11.081,1026 4.277,1027 19.563,1028 9.744,1029 13.656,1030 0.234,1031 17.514,1032 1.59,1033 11.184,1034 12.609,1035 5.5,1036 22.321,1037 11.033,1038 3.789,1039 0.012,1040 19.509,1041 0.669,1042 12.399,1043 13.941,1044 5.665,1045 25.005,1046 12.225,1047 3.31,1048 15.884,1049 21.521,1050 0.029,1051 13.685,1052 15.42,1053 6.67,1054 27.753,1055 13.494,1056 2.976,1057 12.057,1058 23.547,1059 4.372,1060 14.951,1061 16.815,1062 7.017,1063 30.483,1064 14.737,1065 2.724,1066 10.781,1067 25.586,1068 4.183,1069 16.243,1070 18.277,1071 7.888,1072 33.235,1073 16.01,1074 2.654,1075 9.691,1076 27.634,1077 3.683,1078 17.534,1079 19.702,1080 8.348,1081 35.985,1082 17.279,1083 2.442,1084 9.356,1085 29.691,1086 3.205,1087 18.836,1088 21.158,1089 9.136,1090 38.742,1091 18.559,1092 2.008,1093 8.162,1094 31.755,1095 2.947,1096 20.14,1097 22.599,1098 9.665,1099 41.499,1100 19.842,1101 11243,1102 20033,1103 21.737,1104 38.335,1105 57.853,1106 60.268,1107 63.313,1108 56.758,1109 56.621,1110 67.463,1111 13.103,1112 189.609,1113 55.274,1114 5.936,1115 6.366,1116 7.466,1117 5.77,1118 5.789,1119 7.372,1120 3.458,1121 24.73,1122 5.711,1123 25.135,1124 1.607,1125 1.674,1126 1.759,1127 1.577,1128 1.573,1129 1.874,1130 0.364,1131 5.267,1132 1.535,1133 4.113,1134 4.129,1135 4.073,1136 4.034,1137 7.449,1138 4.04,1139 3.927,1140 3.946,1141 3.891,1142 3.826,1143 7.427,1144 3.839,1145 3.648,1146 3.689,1147 3.59,1148 3.509,1149 7.415,1150 3.523,1151 3.538,1152 3.603,1153 3.431,1154 3.311,1155 6.501,1156 3.33,1157 3.443,1158 3.517,1159 3.306,1160 3.216,1161 6.483,1162 3.225,1163 3.29,1164 3.331,1165 3.198,1166 3.08,1167 6.449,1168 3.103,1169 3.235,1170 3.275,1171 3.097,1172 3.048,1173 6.401,1174 3.048,1175 3.048,1176 3.074,1177 2.961,1178 2.785,1179 4.882,1180 2.813,1181 0.137,1182 0.121,1183 0.228,1184 0.132,1185 0.105,1186 4.936,1187 0.121,1188 4.366,1189 0.053,1190 8.193,1191 0.441,1192 4.77,1193 0.103,1194 3.789,1195 4.372,1196 1.91,1197 15.884,1198 3.711,1199 2.051,1200 2.036,1201 2.137,1202 2.149,1203 1.514,1204 2.144,1205 1.882,1206 1.866,1207 1.975,1208 2.013,1209 1.248,1210 2.001,1211 1.594,1212 1.562,1213 1.792,1214 1.79,1215 0.962,1216 1.793,1217 1.468,1218 1.402,1219 1.71,1220 1.73,1221 0.804,1222 1.719,1223 1.405,1224 1.323,1225 1.641,1226 1.649,1227 0.757,1228 1.653,1229 1.205,1230 1.169,1231 1.432,1232 1.475,1233 0.576,1234 1.459,1235 1.19,1236 1.143,1237 1.417,1238 1.408,1239 0.479,1240 1.393,1241 0.934,1242 0.894,1243 1.417,1244 1.239,1245 0.469,1246 1.308,1247 4.29,1249 5.72,1251 7.365,1253 9.12,1255 10.938,1257 6.749,1261 5.306,1262 43.901,1263 0.324,1267 -2.771,1268 3.293,1269 -2.626,1272 37.389,1273 97.583,1274 240.193,1275 292.639,1276 313.394,1277 313.394,1278 313.394,1279 132.673,1280 8.486,1281 164.63,1282 164.63,1283 24,1284 13.407,1285 3.585,1286 3.17,1287 53.813,1288 120,1289 101,1290 0.244,1291 226.758,1292 419.53,1293 545.05,1294 51847,1296 24.566,1297 0.744,1298 0.569,1299 24.566,1300 18.786,1301 15.333,1302 0.426,1303 0.292,1304 10.316,1305 14.627,1306 9.956,1307 8.211,1308 15.333,1309 10.504,1310 15.423,1311 0.266,1312 0.161,1313 15.423,1314 9.313,1315 13.538,1316 0.156,1317 0.081,1318 13.538,1319 7.061,1320 12.352,1321 0.098,1322 0.045,1323 12.352,1324 5.647,1325 9.533,1326 0.055,1327 0.025,1328 9.533,1329 4.247,1330 0.362,1331 97.739,1332 0.214,1333 29.081,1334 0.743,1335 188,1336 592.408,1337 208.025,1338 564.153,1339 742.46,1340 516,1341 239,1342 526.749,1343 261.881,1344 535.782,1345 801.08,1346 499,1347 4.921}
{0 CHEMBL1447,1 1.578,2 10.185,3 0.179,4 0.032,5 102.794,6 6.666,8 4.184,9 4.306,10 3.65,11 3.599,12 5.196,13 3.548,14 4.802,15 4.987,16 4.04,17 4.028,18 5.742,19 3.955,20 5.162,21 5.37,22 4.245,23 4.231,24 6.307,25 4.14,26 5.316,27 5.56,28 4.238,29 4.28,30 6.383,31 4.17,32 5.285,33 5.523,34 4.191,35 4.25,36 6.431,37 4.138,38 5.271,39 5.518,40 4.144,41 4.235,42 6.388,43 4.106,44 5.238,45 5.488,46 4.041,47 4.175,48 6.355,49 4.043,50 5.194,51 5.463,52 3.79,53 4.078,54 6.201,55 3.91,56 0.125,57 0.819,58 16.265,59 6.217,60 27.207,61 8.265,62 0.399,63 1.303,64 33.57,65 10.15,66 55.4,67 14.052,68 1.169,69 1.609,70 45.956,71 13.044,72 147.107,73 18.586,74 1.247,75 1.722,76 55.071,77 14.025,78 154.424,79 20.514,80 1.279,81 1.677,82 53.919,83 13.347,84 180.683,85 19.762,86 1.211,87 1.634,88 52.82,89 13.745,90 171.741,91 19.887,92 1.11,93 1.54,94 51.295,95 13.04,96 161.683,97 19.026,98 1.085,99 1.395,100 46.902,101 12.081,102 150.106,103 18.076,104 92,105 40,106 0.264,107 0.512,108 0.794,109 0.885,110 0.913,111 0.918,112 3.34,113 1.169,114 -0.5,115 -0.62,116 -0.77,118 29.5,119 2,120 3,121 1,123 2,124 1,126 7,127 1,150 1,162 4,166 3,169 1,171 1,174 3,178 1,179 2,182 4,183 3,184 3,187 2,192 3,195 2,196 2,197 2,200 1,203 1,204 3,207 1,208 2,209 4,216 1,217 3,220 2,221 2,222 4,225 2,231 3,234 2,235 1,236 4,239 1,245 2,248 2,250 3,253 2,259 1,262 1,264 4,267 2,272 1148,273 17.43,274 17.43,275 17.43,276 17.43,277 17.43,278 17.3,279 17.535,280 9.968,281 18.076,282 13.598,283 13.598,284 13.598,285 13.598,286 13.598,287 13.34,288 18.982,289 4.472,290 14.586,291 4.353,292 2.873,293 1.183,294 0.64,295 0.476,296 0.443,297 3.992,300 1,301 1,302 554,303 4.123,306 87.659,307 101.973,314 1.405,315 50.473,318 1,319 1,320 1,321 0.9,322 1,323 0.83,324 0.5,325 0.89,326 61,327 275,328 4.248,329 4.444,330 6.819,331 4.171,332 3.236,333 3.298,334 3.379,335 11.124,336 3.032,337 4.11,338 3.793,339 6.459,340 4.006,341 3.043,342 3.172,343 1.959,344 9.947,345 2.922,346 3.753,347 3.38,348 6.264,349 3.691,350 2.751,351 2.754,352 0.815,353 9.121,354 2.575,355 3.397,356 2.961,357 5.611,358 3.263,359 2.281,360 2.439,361 0.751,362 6.997,363 2.252,364 3.227,365 2.84,366 5.292,367 3.115,368 2.208,369 2.228,370 0.163,371 6.605,372 1.97,373 2.881,374 2.572,375 5.063,376 2.759,377 1.872,378 1.879,380 5.468,381 1.676,382 2.854,383 2.344,384 4.722,385 2.718,386 1.765,387 1.849,389 4.753,390 1.628,391 2.093,392 2.103,393 3.944,394 2.046,395 1.092,396 1.092,398 2.868,399 1.042,400 2.031,401 1.641,402 3.774,403 1.974,404 1.025,405 1.027,407 2.136,408 0.962,409 1.911,410 1.364,411 3.227,412 1.744,413 0.838,414 0.861,416 1.687,417 0.739,418 1.653,419 1.323,420 3.107,421 1.407,422 0.539,423 0.572,425 1.12,426 0.458,427 1.289,428 1.074,429 3.068,430 1.109,431 0.285,432 0.286,434 0.644,435 0.233,436 1,437 1.037,438 2.629,439 0.773,440 -0.066,441 -0.068,443 -0.119,444 -0.054,445 0.597,446 0.404,447 2.301,448 0.58,449 -0.403,450 -0.403,452 -0.669,453 -0.395,454 0.504,455 -0.032,456 2,457 0.293,458 -0.661,459 -0.662,461 -1.607,462 -0.614,463 12.633,464 0.468,465 0.881,466 0.033,467 18.5,468 0.685,469 1.5,470 0.056,471 17,472 0.63,473 38.48,474 1.425,475 34.767,476 0.57,477 14.868,478 0.551,479 2.704,480 0.1,481 10.001,482 0.37,483 0.29,485 0.427,490 0.971,491 1.536,492 0.927,493 1.25,494 0.957,495 1.21,496 0.941,497 1.387,498 1.122,499 1.341,500 0.779,501 1.15,502 0.929,503 1.139,504 0.927,505 1.074,506 0.937,507 1.107,508 1.085,509 1.029,510 0.965,511 0.965,512 1.008,513 0.954,514 1.15,515 1.039,516 1.037,517 0.997,518 1.196,519 1.006,520 1.055,521 0.988,522 1,523 0.98,524 1.188,525 0.992,526 1.107,527 1.019,528 1.058,529 1.038,530 1.123,531 1.027,532 1.166,533 0.876,534 0.958,535 0.849,536 1.157,537 0.979,538 6.5,539 0.127,540 4,541 2.882,542 2.331,543 1.295,544 0.855,545 0.522,546 0.331,547 0.262,548 7131,549 18800,550 1.873,551 55.7,552 7,553 15,554 1,556 5,558 6,561 1.707,562 1.67,563 3.286,564 2.584,566 1,570 96.233,571 1.578,572 3.058,573 4.748,574 5.291,575 5.455,576 5.488,577 2.712,578 4.236,579 4.726,580 3.435,581 1205.74,582 8.236,583 15179,585 1,588 361.775,589 1.561,590 4.623,591 0.232,592 0.008,593 0.1,594 0.064,595 0.053,596 0.032,597 0.022,598 0.015,599 0.013,600 0.012,601 0.55,602 0.17,603 1,604 1.233,605 132.212,606 -0.121,607 -0.082,608 0.03,609 0.053,610 -0.148,611 0.033,612 -0.055,613 -0.099,614 -0.033,615 -0.107,616 -0.044,617 -0.018,618 0.165,619 -0.037,620 0.019,621 -0.064,622 0.087,623 -0.081,624 0.015,625 -0.031,626 0.026,627 -0.005,628 0.009,629 0.014,630 -0.015,631 -0.026,632 -0.034,633 -0.031,634 0.01,635 -0.038,636 0.017,637 0.007,638 -0.007,639 -0.011,640 0.005,641 -0.02,642 -0.03,643 -0.035,644 -0.059,645 -0.073,646 0.016,647 -0.061,648 -0.1,649 0.018,650 -0.065,651 0.017,652 -0.075,653 -0.046,654 2.752,655 5.848,656 0.407,657 21.684,658 1.006,659 1.145,660 -0.734,661 0.538,662 0.599,663 3.367,664 3.714,665 3.989,666 4.205,667 4.344,668 4.394,669 4.357,670 4.248,671 4.234,672 4.19,673 5.971,674 0.557,675 406.61,676 3.367,677 4.92,678 5.778,679 6.668,680 7.549,681 8.444,682 9.332,683 10.227,684 11.118,685 12.014,686 3.3,689 1,693 1,724 61,726 1,728 28,730 62,731 18,737 2,738 2,743 2,746 6,747 1,749 10,751 1,752 17,753 1,754 1,758 1,761 1,764 1,767 34,768 8,769 5,770 9,771 1,773 2,777 1,778 6,780 4,785 1,788 1,789 1,798 1,806 1,808 4,809 1,810 2,811 1,813 1,815 4,819 27,826 4,827 4,828 1,829 1,830 1,831 9,832 1,839 9.8,840 4,842 1,843 1,846 16.167,847 11,848 6.139,849 3.654,850 0.051,851 1.008,852 0.793,853 8.519,854 6.786,855 3.401,856 3.761,857 4.043,858 4.277,859 4.431,860 4.477,861 4.443,862 4.331,863 4.29,864 4.22,865 0.857,866 45,867 10.324,869 4.649,870 0.006,871 8.037,872 19.287,874 16.378,876 2.537,877 68.5,881 341.362,882 79.871,883 21.135,885 206.878,887 32.22,888 47.651,889 548.24,890 21.135,891 33.237,892 27.72,893 170.733,894 40.849,895 3.124,896 11.771,897 361.81,899 341.362,900 68.786,901 206.878,902 32.22,904 270.735,905 95.772,906 181.733,908 48.495,909 20.291,911 32.22,912 341.362,913 228.013,914 79.871,917 341.362,918 46.633,919 36.361,920 18.011,921 206.878,922 341.362,923 228.013,924 79.871,926 0.586,927 0.361,928 0.191,929 0.101,930 17,931 11,932 0.113,933 7,935 1,936 3.552,937 224.982,939 11,940 128.382,941 1,944 23.036,945 9.985,946 5.221,948 228.013,956 188.744,957 649.246,958 29,962 12.848,965 -0.223,967 61.381,968 69.816,969 0.266,970 0.516,971 0.801,972 0.892,973 0.92,974 0.925,975 4.718,976 1.092,977 5.808,978 4.753,979 4.394,980 4.443,981 3.482,982 6.673,983 4.266,984 5.852,985 1.025,986 7.421,987 2.868,988 4.205,989 4.29,990 1.668,991 7.698,992 4.026,993 7.132,994 0.838,995 9.132,996 2.136,997 6.052,998 6.151,999 5.644,1000 10.806,1001 5.818,1002 8.435,1003 0.539,1004 10.896,1005 1.687,1006 6.635,1007 6.77,1008 3.135,1009 12.59,1010 6.341,1011 9.77,1012 0.285,1013 12.691,1014 1.12,1015 8.013,1016 8.164,1017 8.021,1018 15.244,1019 7.675,1020 11.124,1021 -0.066,1022 14.508,1023 0.644,1024 8.918,1025 9.101,1026 4.573,1027 17.347,1028 8.516,1029 12.492,1030 -0.403,1031 16.34,1032 -0.119,1033 10.137,1034 10.34,1035 10.44,1036 19.836,1037 9.688,1038 3.236,1039 -0.661,1040 18.184,1041 -0.669,1042 11.179,1043 11.411,1044 5.975,1045 22.085,1046 10.667,1047 3.043,1048 11.124,1049 20.037,1050 -1.607,1051 12.346,1052 12.599,1053 12.87,1054 24.51,1055 11.782,1056 2.751,1057 9.947,1058 21.897,1059 3.298,1060 13.447,1061 13.727,1062 7.353,1063 26.828,1064 12.821,1065 2.281,1066 9.121,1067 23.764,1068 3.172,1069 14.597,1070 14.901,1071 15.304,1072 29.229,1073 13.916,1074 2.208,1075 6.997,1076 25.636,1077 2.754,1078 15.725,1079 16.054,1080 8.717,1081 31.582,1082 14.982,1083 1.872,1084 6.605,1085 27.512,1086 2.439,1087 16.873,1088 17.226,1089 17.738,1090 33.975,1091 16.072,1092 1.765,1093 5.468,1094 29.392,1095 2.228,1096 18.014,1097 18.391,1098 10.073,1099 36.347,1100 17.151,1101 7430,1102 12205,1103 16.937,1104 36.569,1105 42.036,1106 46.765,1107 46.131,1108 41.807,1109 41.87,1110 42.912,1111 14.133,1112 124.941,1113 38.979,1114 5.248,1115 6.355,1116 6.586,1117 5.278,1118 5.236,1119 5.298,1120 6.757,1121 18.77,1122 4.97,1123 19.654,1124 1.501,1125 1.67,1126 1.648,1127 1.493,1128 1.495,1129 1.533,1130 0.505,1131 4.462,1132 1.392,1133 3.968,1134 4.016,1135 3.961,1136 3.814,1137 7.428,1138 3.817,1139 3.862,1140 3.892,1141 3.832,1142 3.715,1143 6.518,1144 3.713,1145 3.627,1146 3.673,1147 3.631,1148 3.468,1149 6.45,1150 3.453,1151 3.531,1152 3.604,1153 3.432,1154 3.367,1155 6.435,1156 3.35,1157 3.291,1158 3.347,1159 3.348,1160 3.207,1161 6.386,1162 3.118,1163 3.265,1164 3.319,1165 3.128,1166 3.018,1167 4.532,1168 3.032,1169 3.133,1170 3.241,1171 2.952,1172 2.907,1173 4.374,1174 2.884,1175 3.093,1176 3.143,1177 2.874,1178 2.854,1179 4.076,1180 2.851,1181 0.152,1182 0.159,1183 0.244,1184 0.149,1185 0.116,1186 4.248,1187 0.118,1188 4.444,1189 0.121,1190 6.819,1191 0.397,1192 4.171,1193 0.108,1194 3.236,1195 3.298,1196 3.379,1197 11.124,1198 3.032,1199 1.815,1200 1.789,1201 2.005,1202 2.017,1203 1.381,1204 2.002,1205 1.759,1206 1.704,1207 1.96,1208 1.912,1209 1.327,1210 1.945,1211 1.621,1212 1.574,1213 1.803,1214 1.856,1215 1.09,1216 1.843,1217 1.523,1218 1.467,1219 1.763,1220 1.752,1221 1.036,1222 1.76,1223 1.4,1224 1.316,1225 1.722,1226 1.617,1227 0.953,1228 1.657,1229 1.267,1230 1.217,1231 1.532,1232 1.461,1233 0.752,1234 1.526,1235 1.132,1236 1.051,1237 1.46,1238 1.425,1239 0.609,1240 1.445,1241 1.014,1242 0.94,1243 1.371,1244 1.314,1245 0.531,1246 1.322,1247 4.043,1249 5.38,1250 2.398,1251 6.907,1252 4.727,1253 8.525,1254 6.804,1255 10.195,1257 7.255,1262 40.719,1263 3.748,1264 2.814,1265 5.719,1266 1.197,1267 -7.588,1268 2.01,1272 33.948,1273 96.233,1274 186.529,1275 289.636,1276 322.755,1277 332.755,1278 334.755,1279 112.701,1280 6.735,1281 122.49,1282 147.79,1283 11,1284 12.54,1285 1,1286 1,1287 58.105,1288 94,1289 117,1290 0.301,1291 214.415,1292 385.85,1293 514.934,1294 6105,1296 20.301,1297 0.752,1298 0.641,1299 20.654,1300 17.302,1301 12.705,1302 0.454,1303 0.39,1304 9.563,1305 11.627,1306 9.142,1307 7.563,1308 13.262,1309 10.907,1310 11.533,1311 0.288,1312 0.218,1313 12,1314 8.733,1315 9.696,1316 0.183,1317 0.123,1318 10.228,1319 6.51,1320 7.577,1321 0.115,1322 0.073,1323 8.049,1324 4.812,1325 5.497,1326 0.072,1327 0.041,1328 5.9,1329 3.151,1330 0.463,1331 86.577,1332 0.243,1333 25.48,1334 0.859,1335 136,1336 410.908,1337 175.024,1338 394.039,1339 502.76,1340 366,1341 161,1342 316.638,1343 197.999,1344 323.067,1345 483.09,1346 301,1347 4.921}
{0 CHEMBL1464,1 1.37,2 7.783,3 3.128,4 9.782,5 85.784,6 7.906,7 0.48,8 3.762,9 3.842,10 3.368,11 3.373,12 4.977,13 3.357,14 4.252,15 4.369,16 3.735,17 3.749,18 5.463,19 3.717,20 4.539,21 4.685,22 3.847,23 3.885,24 5.719,25 3.85,26 4.623,27 4.779,28 3.909,29 3.885,30 5.965,31 3.858,32 4.648,33 4.803,34 3.905,35 3.887,36 5.98,37 3.869,38 4.652,39 4.798,40 3.862,41 3.831,42 6.18,43 3.803,44 4.582,45 4.788,46 3.413,47 3.674,48 5.785,49 3.576,50 4.232,51 4.492,52 2.898,53 3.37,54 5.213,55 3.194,56 0.049,57 0.454,58 6.816,59 3.798,60 11.028,61 4.307,62 0.165,63 0.747,64 12.34,65 6.302,66 22.921,67 7.532,68 0.255,69 0.979,70 18.538,71 8.197,72 55.261,73 9.483,74 0.484,75 1.05,76 21.288,77 8.763,78 83.037,79 10.238,80 0.372,81 1.071,82 21.975,83 8.875,84 66.648,85 9.946,86 0.651,87 1.059,88 22.234,89 8.727,90 117.092,91 9.751,92 0.528,93 1.006,94 23.137,95 8.438,96 88.27,97 9.801,98 0.224,99 0.748,100 16.419,101 6.549,102 39.686,103 8.883,104 19,105 35,106 0.243,107 0.598,108 0.714,109 0.826,110 0.869,111 0.869,112 3.19,113 0.884,114 -4.03,115 -3.98,116 -3.77,118 48.7,119 1,120 1,121 1,133 1,136 1,137 9,138 2,139 1,148 1,149 1,162 13,166 7,169 1,171 1,174 17,179 6,184 1,187 14,191 1,192 9,195 1,197 4,200 12,204 7,209 4,212 11,216 2,217 9,220 1,222 4,225 12,231 4,236 1,239 11,245 2,253 9,259 1,267 5,272 712,273 15.397,274 15.397,275 15.397,276 15.397,277 15.397,278 13.346,279 14.485,280 9.195,281 15.375,282 12.35,283 12.35,284 12.35,285 12.35,286 12.35,287 9.313,288 18.508,289 4.362,290 12.319,291 3.916,292 1.912,293 1.254,294 0.625,295 0.378,296 0.378,297 3.867,299 1,300 1,301 1,302 379,303 3.162,307 187.34,311 99.218,314 1.115,315 33.29,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 50,327 179,328 4.599,329 3.818,330 6.971,331 4.29,332 3.287,333 4.143,334 2.178,335 11.767,336 3.297,337 4.135,338 3.57,339 6.326,340 3.822,341 2.828,342 3.642,343 1.216,344 9.545,345 2.81,346 3.789,347 3.113,348 5.675,349 3.323,350 2.324,351 3.283,352 0.68,353 7.32,354 2.321,355 3.526,356 2.952,357 5.181,358 3.198,359 2.149,360 2.709,362 6.004,363 2.245,364 3.338,365 2.556,366 4.759,367 3.023,368 2.027,369 2.5,371 5.317,372 2.003,373 3.017,374 1.922,375 4.231,376 2.624,377 1.611,378 2.188,380 3.729,381 1.628,382 2.874,383 1.555,384 3.838,385 2.397,386 1.41,387 2.032,389 3.049,390 1.388,391 2.528,392 1.321,393 3.648,394 2.105,395 1.101,396 1.5,398 2.752,399 1.104,400 2.5,401 1.272,402 3.469,403 2,404 1,405 1.495,407 2.201,408 1,409 2.287,410 1,411 3.247,412 1.905,413 0.876,414 1.171,416 2.136,417 0.897,418 1.429,419 0.876,420 3.024,421 1.033,422 -0.015,423 -0.019,425 -0.041,426 -0.016,427 1.061,428 0.444,429 2.646,430 0.816,431 -0.139,432 -0.159,434 -0.338,435 -0.131,436 0.797,437 0.252,438 2.302,439 0.44,440 -0.574,441 -0.698,443 -1.365,444 -0.579,445 0.657,446 -0.168,447 2.131,448 0.219,449 -0.803,450 -1.062,452 -1.917,453 -0.818,454 0.5,455 -0.374,456 2,457 0.099,458 -1,459 -1.27,461 -2,462 -1,463 10.833,464 0.471,465 0.597,466 0.026,467 30.75,468 1.337,469 17,470 0.739,471 13.75,472 0.598,473 17.06,474 0.742,475 23.967,476 0.615,477 23.392,478 1.017,479 6.307,480 0.274,481 4.768,482 0.207,483 0.138,485 0.369,490 0.711,491 0.952,492 0.731,493 0.938,494 0.656,495 0.859,496 0.557,497 1.061,498 0.757,499 1.054,500 0.551,501 0.97,502 1.079,503 1.041,504 0.962,505 1.027,506 1.082,507 0.981,508 1.046,509 1.006,510 0.913,511 0.991,512 1.007,513 0.936,514 1.39,515 1.026,516 1.012,517 0.999,518 1.342,519 0.938,520 1.284,521 1.115,522 1.138,523 1.106,524 1.273,525 1.093,526 1.516,527 0.891,528 1.331,529 0.908,530 1.467,531 1.046,532 0.606,533 0.973,534 1.041,535 1.007,536 0.69,537 1.097,538 4,540 2.444,541 2,542 1.889,543 1.201,544 0.531,545 0.347,546 0.09,547 0.054,548 4745,549 14068,550 2.041,551 41,552 1,553 9,556 1,557 5,561 1.668,562 1.89,563 2.904,564 -0.369,565 1,566 1,568 1,570 53.42,571 1.37,572 3.373,573 4.032,574 4.661,575 4.907,576 4.907,577 2.376,578 4.089,579 4.496,580 3.048,581 771.146,582 7.797,583 8514.26,584 1,585 1,586 1,587 1,588 206.131,589 1.478,590 4.443,591 0.16,593 0.07,594 0.053,595 0.048,596 0.031,597 0.015,598 0.016,599 0.007,600 0.009,601 0.409,602 0.33,603 1,604 1.029,605 104.284,606 -0.05,607 0.049,608 0.016,609 0.051,610 -0.077,611 0.048,612 0.139,613 -0.072,614 0.059,615 -0.069,616 0.051,617 -0.031,618 -0.109,619 -0.061,620 -0.047,621 -0.055,622 -0.139,623 -0.041,624 0.086,625 -0.03,626 0.058,627 -0.026,628 0.075,629 0.003,630 -0.165,631 -0.051,632 -0.028,633 -0.04,634 -0.101,635 -0.011,636 0.081,637 -0.143,638 -0.135,639 -0.158,640 0.138,641 -0.186,642 -0.285,643 0.077,644 -0.271,645 0.054,646 -0.244,647 -0.075,648 -0.004,649 -0.009,650 -0.024,651 -0.011,652 -0.015,653 -0.02,654 2.094,655 5.814,656 0.696,657 15.259,658 1.01,659 1.107,660 2.798,661 7.827,662 0.69,663 3.258,664 3.584,665 3.871,666 4.19,667 4.443,668 4.477,669 4.522,670 4.605,671 4.605,672 4.369,673 4.814,674 0.669,675 308.35,676 3.258,677 4.796,678 5.652,679 6.547,680 7.431,681 8.334,682 9.229,683 10.136,684 11.036,685 11.945,701 9,706 3,708 12,713 1,722 1,724 39,726 15,727 2,728 25,730 41,731 19,732 12,733 3,734 9,735 3,737 3,738 4,743 1,749 1,751 16,752 3,753 1,754 3,758 2,761 4,763 1,764 1,767 16,768 4,769 1,770 4,777 0.667,778 4,789 3,793 1,796 1,803 1,808 1,810 2,815 1,819 23,826 1,827 1,829 1,831 1,839 10.3,841 1,842 2,844 1,846 12.167,847 7.283,848 5.083,849 2.286,850 2.511,851 1.367,852 0.951,853 4.199,854 9.363,855 3.555,856 4.127,857 4.659,858 5.215,859 5.728,860 5.877,861 6.189,862 6.532,863 6.816,864 6.844,865 1,866 38,867 8.574,869 3.767,870 0.006,871 8.022,872 15.874,874 13.05,876 2.522,877 58,881 176.567,882 122.733,885 103.973,888 122.733,889 280.54,891 8.825,892 2.535,893 85.286,894 103.24,895 26.82,897 176.567,899 176.567,900 122.733,901 103.973,904 176.567,905 103.973,908 11.36,909 111.373,912 176.567,913 103.973,914 122.733,917 176.567,918 28.621,919 94.111,921 103.973,922 176.567,923 103.973,924 122.733,926 0.577,927 0.336,928 0.201,929 0.12,930 17,931 8,932 0.098,933 4,934 1,935 1.125,936 3.344,937 190.509,938 0.125,939 16,940 96.042,944 15.354,945 6.29,946 2.999,948 103.973,949 15.949,954 1.513,956 42.683,957 403.273,958 34,962 24.487,965 -0.667,967 39.378,968 43.159,969 0.259,970 0.638,971 0.763,972 0.882,973 0.928,974 0.928,975 4.787,976 1.101,977 5.645,978 3.049,979 4.263,980 4.812,981 2.513,982 6.494,983 4.268,984 5.998,985 1,986 7.225,987 2.752,988 3.892,989 4.559,990 2.036,991 7.496,992 3.916,993 7.308,994 0.876,995 8.913,996 2.201,997 5.872,998 6.947,999 3.514,1000 10.662,1001 5.878,1002 8.652,1003 -0.015,1004 10.667,1005 2.136,1006 6.33,1007 7.485,1008 3.746,1009 12.523,1010 6.352,1011 10.03,1012 -0.139,1013 12.464,1014 -0.041,1015 7.805,1016 9.365,1017 4.836,1018 15.22,1019 7.813,1020 11.433,1021 -0.574,1022 14.291,1023 -0.338,1024 8.653,1025 10.295,1026 5.379,1027 17.426,1028 8.673,1029 12.856,1030 -0.803,1031 16.14,1032 -1.365,1033 9.932,1034 11.943,1035 6.297,1036 19.964,1037 9.944,1038 3.287,1039 -1,1040 18.005,1041 -1.917,1042 10.962,1043 13.084,1044 6.973,1045 22.313,1046 10.982,1047 2.828,1048 11.767,1049 19.883,1050 -2,1051 12.167,1052 14.614,1053 7.815,1054 24.797,1055 12.185,1056 2.324,1057 9.545,1058 21.77,1059 4.143,1060 13.279,1061 15.872,1062 8.548,1063 27.207,1064 13.303,1065 2.149,1066 7.32,1067 23.665,1068 3.642,1069 14.461,1070 17.343,1071 9.356,1072 29.672,1073 14.486,1074 2.027,1075 6.004,1076 25.567,1077 3.283,1078 15.61,1079 18.667,1080 10.114,1081 32.109,1082 15.639,1083 1.611,1084 5.317,1085 27.473,1086 2.709,1087 16.787,1088 20.108,1089 10.906,1090 34.57,1091 16.819,1092 1.41,1093 3.729,1094 29.385,1095 2.5,1096 17.953,1097 21.47,1098 11.675,1099 37.02,1100 17.989,1101 4705,1102 8197,1103 16.414,1104 26.909,1105 38.125,1106 39.106,1107 39.138,1108 37.264,1109 37.225,1110 49.326,1111 8.149,1112 107.641,1113 37.389,1114 5.503,1115 5.818,1116 6.773,1117 5.332,1118 5.287,1119 7.143,1120 3.677,1121 19.369,1122 5.297,1123 11.38,1124 1.525,1125 1.564,1126 1.566,1127 1.491,1128 1.489,1129 1.973,1130 0.326,1131 4.306,1132 1.496,1133 4.032,1134 4.044,1135 3.991,1136 3.955,1137 7.43,1138 3.959,1139 3.885,1140 3.909,1141 3.821,1142 3.825,1143 7.425,1144 3.821,1145 3.645,1146 3.679,1147 3.552,1148 3.527,1149 6.473,1150 3.527,1151 3.468,1152 3.486,1153 3.394,1154 3.304,1155 4.817,1156 3.321,1157 3.056,1158 3.117,1159 2.954,1160 2.907,1161 4.739,1162 2.902,1163 3.001,1164 3.007,1165 2.905,1166 2.788,1167 4.266,1168 2.805,1169 2.854,1170 2.925,1171 2.687,1172 2.735,1173 3.939,1174 2.715,1175 2.754,1176 2.796,1177 2.633,1178 2.582,1179 3.717,1180 2.587,1181 0.184,1182 0.153,1183 0.279,1184 0.172,1185 0.131,1186 4.599,1187 0.166,1188 3.818,1189 0.087,1190 6.971,1191 0.471,1192 4.29,1193 0.132,1194 3.287,1195 4.143,1196 2.178,1197 11.767,1198 3.297,1199 1.981,1200 1.966,1201 2.079,1202 2.074,1203 1.303,1204 2.072,1205 1.885,1206 1.863,1207 1.994,1208 1.97,1209 1.08,1210 1.98,1211 1.627,1212 1.593,1213 1.823,1214 1.787,1215 0.94,1216 1.798,1217 1.407,1218 1.383,1219 1.588,1220 1.595,1221 0.682,1222 1.586,1223 1.051,1224 0.995,1225 1.319,1226 1.275,1227 0.415,1228 1.299,1229 0.911,1230 0.879,1231 1.181,1232 1.157,1233 0.218,1234 1.132,1235 0.886,1236 0.821,1237 1.151,1238 1.062,1239 0.203,1240 1.107,1241 0.734,1242 0.658,1243 1.062,1244 0.966,1245 0.174,1246 0.995,1247 3.932,1249 5.252,1251 6.786,1253 8.425,1255 10.123,1257 1.468,1262 10.256,1263 0.126,1265 5.402,1267 -0.533,1272 26.074,1273 53.42,1274 131.562,1275 157.237,1276 181.766,1277 191.376,1278 191.376,1279 53.963,1280 6.851,1281 67.51,1282 67.51,1283 18,1284 12.463,1285 4,1286 3.322,1287 36.368,1288 64,1289 63,1290 0.279,1291 160.483,1292 289.78,1293 383.339,1294 7191,1296 16.397,1297 0.713,1298 0.55,1299 16.397,1300 12.653,1301 11.075,1302 0.443,1303 0.295,1304 7.296,1305 10.747,1306 7.101,1307 5.888,1308 11.075,1309 7.367,1310 10.049,1311 0.287,1312 0.158,1313 10.049,1314 5.516,1315 8.075,1316 0.172,1317 0.082,1318 8.075,1319 3.855,1320 7.242,1321 0.111,1322 0.043,1323 7.242,1324 2.811,1325 5.971,1326 0.071,1327 0.023,1328 5.971,1329 1.969,1330 0.414,1331 69.001,1332 0.247,1333 21.841,1334 0.849,1335 120,1336 383.356,1337 130.739,1338 366.769,1339 489.67,1340 340,1341 142,1342 350.576,1343 151.967,1344 353.628,1345 517.01,1346 333,1347 5.33}
{0 CHEMBL15770,1 1.567,2 9.56,3 3.614,4 13.06,5 99.475,6 8.487,7 0.444,8 3.829,9 3.906,10 3.6,11 3.513,12 5.034,13 3.456,14 4.317,15 4.44,16 3.899,17 3.892,18 5.617,19 3.824,20 4.551,21 4.685,22 3.941,23 4.021,24 5.799,25 3.945,26 4.634,27 4.8,28 3.874,29 4.042,30 5.775,31 3.939,32 4.696,33 4.903,34 3.887,35 3.975,36 5.867,37 3.89,38 4.672,39 4.875,40 3.76,41 3.879,42 5.921,43 3.787,44 4.529,45 4.742,46 3.643,47 3.7,48 5.96,49 3.593,50 4.292,51 4.522,52 3.544,53 3.519,54 5.47,55 3.383,56 0.075,57 0.567,58 8.123,59 4.43,60 14.658,61 4.718,62 0.202,63 0.935,64 16.136,65 7.639,66 41.997,67 8.556,68 0.329,69 1.185,70 19.542,71 9.076,72 67.316,73 9.618,74 0.206,75 1.257,76 20.762,77 10.039,78 42.967,79 11.912,80 0.257,81 1.297,82 23.34,83 10.449,84 53.716,85 13.05,86 0.421,87 1.309,88 24.792,89 10.205,90 78.599,91 11.681,92 0.662,93 1.202,94 22.368,95 8.896,96 127.118,97 10.079,98 0.244,99 0.906,100 19.087,101 7.667,102 43.872,103 8.936,104 42,105 39,106 0.272,107 0.629,108 0.78,109 0.845,110 0.856,111 0.856,112 3.268,113 1.033,114 -5.51,115 -5.38,116 -5.03,118 47.6,119 1,120 1,123 1,132 1,133 3,137 7,138 3,139 2,150 1,158 1,161 1,162 16,163 1,166 1,169 1,171 1,174 24,175 1,179 3,184 1,187 25,188 2,192 4,197 2,200 18,201 4,204 5,209 4,212 17,213 2,217 3,222 2,225 14,226 2,231 3,236 2,239 6,240 2,245 4,250 2,254 2,259 6,264 2,272 934,273 16.292,274 16.292,275 16.292,276 16.292,277 16.292,278 14.06,279 10.743,280 9.408,281 16.64,282 13.3,283 13.3,284 13.3,285 13.3,286 13.3,287 9.902,288 8.851,289 4.466,290 13.843,291 3.826,292 1.772,293 0.903,294 0.53,295 0.465,296 0.465,297 3.942,299 1,300 1,301 1,302 500,303 3.464,306 54.247,307 142.116,310 101.932,314 1.462,315 35.003,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 54.5,327 239,328 4.705,329 4.698,330 7.018,331 4.338,332 3.339,333 4.355,334 2.95,335 11.988,336 3.336,337 4.171,338 3.67,339 5.934,340 3.709,341 2.784,342 3.771,343 2.397,344 8.26,345 2.618,346 3.861,347 3.364,348 5.776,349 3.412,350 2.46,351 3.334,352 0.242,353 7.758,354 2.346,355 3.784,356 2.855,357 5.648,358 3.38,359 2.4,360 3.127,362 7.21,363 2.306,364 3.54,365 2.66,366 5.227,367 3.163,368 2.192,369 2.782,371 6.437,372 2.082,373 3.316,374 2.408,375 4.909,376 2.861,377 1.863,378 2.502,380 5.428,381 1.842,382 3.173,383 2.176,384 4.584,385 2.78,386 1.81,387 2.349,389 4.802,390 1.736,391 2.774,392 2.035,393 3.854,394 2.2,395 1.266,396 1.789,398 3.007,399 1.158,400 2.516,401 1.158,402 3.731,403 2,404 1,405 1.5,407 2.528,408 1,409 2.5,410 1.031,411 3.414,412 1.964,413 0.972,414 1.44,416 2.275,417 0.96,418 1.724,419 1,420 3.264,421 1.408,422 0.411,423 0.495,425 1.062,426 0.407,427 1.25,428 0.752,429 2.762,430 0.922,431 -0.038,432 -0.047,434 -0.096,435 -0.036,436 0.985,437 0.493,438 2.472,439 0.527,440 -0.422,441 -0.531,443 -1.006,444 -0.385,445 0.76,446 0.282,447 2.354,448 0.393,449 -0.593,450 -0.691,452 -1.652,453 -0.568,454 0.537,455 -0.13,456 2.196,457 0.042,458 -1,459 -1.173,461 -2,462 -0.821,463 12.119,464 0.485,465 0.809,466 0.032,467 32.5,468 1.3,469 18,470 0.72,471 14.5,472 0.58,473 20.034,474 0.801,475 26.281,476 0.626,477 25.104,478 1.004,479 6.523,480 0.261,481 5.34,482 0.214,483 0.189,485 0.44,488 1,490 0.556,491 0.827,492 0.757,493 0.928,494 0.626,495 0.838,496 0.475,497 0.879,498 0.934,499 1.003,500 0.451,501 0.866,502 1.05,503 0.932,504 1.074,505 0.949,506 1.048,507 1.02,508 0.631,509 1.044,510 0.959,511 1.128,512 0.643,513 1.215,514 0.658,515 0.946,516 0.631,517 0.891,518 0.678,519 0.967,520 1.098,521 1.021,522 0.91,523 0.93,524 1.044,525 1.035,526 1.067,527 0.996,528 0.902,529 0.845,530 1.05,531 1,532 0.843,533 0.933,534 0.818,535 0.884,536 0.807,537 0.87,538 6,539 0.115,540 3.111,541 2.424,542 1.681,543 1.404,544 0.477,545 0.385,546 0.343,547 0.205,548 6380,549 22544,550 1.992,551 40.5,552 3,553 11,556 1,557 2,561 1.684,562 1.807,563 3.217,564 -0.356,566 1,570 65.797,571 1.567,572 3.621,573 4.49,574 4.862,575 4.928,576 4.928,577 2.649,578 4.054,579 4.61,580 3.4,581 1019.91,582 7.995,583 12128.3,584 1,585 1,587 1,588 226.477,589 1.554,590 4.541,591 0.222,592 0.01,593 0.08,594 0.061,595 0.045,596 0.038,597 0.015,598 0.015,599 0.016,600 0.011,601 0.514,602 0.33,603 0.88,604 1.157,605 119.387,607 0.066,608 0.102,609 0.074,610 -0.086,611 0.071,612 0.116,613 0.025,614 0.001,615 0.019,616 0.142,617 0.092,618 -0.178,619 0.04,620 -0.226,621 -0.008,622 -0.154,623 -0.099,624 -0.024,625 -0.174,626 -0.179,627 -0.231,628 -0.029,629 -0.25,630 0.041,631 -0.115,632 0.126,633 -0.044,634 0.017,635 0.028,636 -0.109,637 -0.07,638 -0.061,639 -0.046,640 -0.085,641 -0.061,642 0.11,643 0.129,644 0.008,645 0.066,646 0.083,647 -0.022,648 0.017,649 0.002,650 0.272,651 0.143,652 0.036,653 0.18,654 2.611,655 5.656,656 0.6,657 21.974,658 1.012,659 1.11,660 4.277,661 18.294,662 0.71,663 3.332,664 3.689,665 3.951,666 4.248,667 4.522,668 4.615,669 4.727,670 4.804,671 4.812,672 4.787,673 5.801,674 0.678,675 356.44,676 3.332,677 4.89,678 5.746,679 6.645,680 7.532,681 8.439,682 9.339,683 10.251,684 11.159,685 12.074,701 7,706 5,708 12,723 1,724 42,726 16,727 2,728 27,730 44,731 20,732 12,733 5,734 7,735 4,737 3,738 4,743 1,749 1,751 17,752 3,754 4,758 2,759 1,761 4,762 1,763 1,764 1,765 1,767 17,768 4,769 1,770 5,771 1,777 0.667,778 3,788 1,789 2,792 1,800 1,802 1,803 3,808 1,810 2,813 1,815 2,817 1,819 25,821 1,826 1,827 1,838 1,839 7.1,841 1,842 2,846 13.833,847 8.26,848 5.417,849 2.343,850 3.328,851 1.464,852 0.976,853 4.803,854 10.501,855 3.638,856 4.263,857 4.832,858 5.435,859 6.028,860 6.374,861 6.813,862 7.21,863 7.592,864 7.9,865 1,866 40,867 9.307,869 4.071,870 0.006,871 8.129,872 17.281,874 14.355,876 2.629,877 65.722,880 1,881 188.338,882 144.188,885 89.985,886 14.96,887 19.133,888 125.055,889 278.322,890 14.96,891 16.016,892 2.535,893 94.943,894 90.895,895 29.785,896 14.96,897 188.338,899 188.338,900 125.055,901 104.945,902 19.133,904 203.298,905 89.985,908 11.36,909 104.219,910 9.476,911 19.133,912 203.298,913 89.985,914 144.188,917 207.47,918 33.23,919 91.826,921 104.945,922 188.338,923 104.945,924 144.188,926 0.592,927 0.334,928 0.181,929 0.112,930 19,931 10,932 0.091,933 4,934 1,935 1.133,936 3.552,937 209.007,938 0.133,939 15,940 112.096,942 1,944 17.472,945 6.873,946 3.532,948 104.945,949 11.809,954 2.742,956 42.683,957 437.47,958 37,962 22.677,963 1.948,965 1.419,966 -1.036,967 42.523,968 46.625,969 0.291,970 0.671,971 0.833,972 0.902,973 0.914,974 0.914,975 4.89,976 1.266,977 5.765,978 4.802,979 4.369,980 4.949,981 3.328,982 6.613,983 4.308,984 6.137,985 1,986 7.353,987 3.007,988 4.111,989 4.856,990 2.243,991 7.6,992 3.991,993 7.469,994 0.972,995 9.04,996 2.528,997 5.999,998 7.157,999 5.266,1000 10.723,1001 5.899,1002 8.834,1003 0.411,1004 10.783,1005 2.275,1006 6.509,1007 7.817,1008 4.213,1009 12.564,1010 6.372,1011 10.228,1012 -0.038,1013 12.565,1014 1.062,1015 7.936,1016 9.647,1017 7.332,1018 15.247,1019 7.818,1020 11.645,1021 -0.422,1022 14.374,1023 -0.096,1024 8.807,1025 10.679,1026 6.05,1027 17.472,1028 8.677,1029 13.081,1030 -0.593,1031 16.205,1032 -1.006,1033 10.066,1034 12.306,1035 9.443,1036 20.014,1037 9.951,1038 3.339,1039 -1,1040 18.055,1041 -1.652,1042 11.111,1043 13.538,1044 7.838,1045 22.399,1046 10.998,1047 2.784,1048 11.988,1049 19.919,1050 -2,1051 12.314,1052 15.069,1053 11.573,1054 24.898,1055 12.214,1056 2.46,1057 8.26,1058 21.797,1059 4.355,1060 13.44,1061 16.409,1062 9.604,1063 27.344,1064 13.347,1065 2.4,1066 7.758,1067 23.685,1068 3.771,1069 14.629,1070 17.899,1071 13.716,1072 29.832,1073 14.546,1074 2.192,1075 7.21,1076 25.583,1077 3.334,1078 15.793,1079 19.296,1080 11.361,1081 32.301,1082 15.718,1083 1.863,1084 6.437,1085 27.49,1086 3.127,1087 16.983,1088 20.768,1089 15.866,1090 34.785,1091 16.915,1092 1.81,1093 5.428,1094 29.403,1095 2.782,1096 18.165,1097 22.196,1098 13.113,1099 37.264,1100 18.104,1101 6396,1102 12110,1103 17.224,1104 29.801,1105 41.981,1106 44.36,1107 43.163,1108 41.166,1109 40.995,1110 54.89,1111 11.179,1112 121.51,1113 39.58,1114 5.541,1115 6.698,1116 6.432,1117 5.34,1118 5.339,1119 7.355,1120 5.9,1121 19.232,1122 5.336,1123 15.661,1124 1.555,1125 1.643,1126 1.599,1127 1.525,1128 1.518,1129 2.033,1130 0.414,1131 4.5,1132 1.466,1133 4.089,1134 4.104,1135 4.339,1136 4.058,1137 8.201,1138 4.05,1139 3.911,1140 3.922,1141 4.036,1142 3.905,1143 7.474,1144 3.859,1145 3.598,1146 3.624,1147 3.675,1148 3.506,1149 7.398,1150 3.486,1151 3.489,1152 3.492,1153 3.524,1154 3.433,1155 6.351,1156 3.36,1157 3.35,1158 3.376,1159 3.307,1160 3.17,1161 4.806,1162 3.169,1163 3.054,1164 3.124,1165 2.926,1166 2.903,1167 4.639,1168 2.891,1169 2.875,1170 2.932,1171 2.694,1172 2.735,1173 4.186,1174 2.715,1175 2.854,1176 2.925,1177 2.687,1178 2.718,1179 3.879,1180 2.703,1181 0.174,1182 0.174,1183 0.26,1184 0.161,1185 0.124,1186 4.705,1187 0.161,1188 4.698,1189 0.109,1190 7.018,1191 0.444,1192 4.338,1193 0.124,1194 3.339,1195 4.355,1196 2.95,1197 11.988,1198 3.336,1199 1.954,1200 1.941,1201 2.024,1202 2.003,1203 1.185,1204 2.025,1205 1.875,1206 1.859,1207 1.959,1208 1.949,1209 1.148,1210 1.955,1211 1.703,1212 1.683,1213 1.834,1214 1.807,1215 1.025,1216 1.822,1217 1.403,1218 1.393,1219 1.554,1220 1.571,1221 0.76,1222 1.606,1223 1.278,1224 1.246,1225 1.537,1226 1.499,1227 0.654,1228 1.53,1229 1.073,1230 1.013,1231 1.346,1232 1.261,1233 0.449,1234 1.293,1235 0.886,1236 0.821,1237 1.181,1238 1.082,1239 0.218,1240 1.107,1241 0.865,1242 0.811,1243 1.117,1244 1.062,1245 0.191,1246 1.086,1247 4.007,1249 5.352,1250 2.398,1251 6.88,1252 4.949,1253 8.497,1254 7.209,1255 10.165,1257 3.484,1259 13.656,1262 9.169,1263 -0.145,1272 28.456,1273 65.797,1274 152.071,1275 188.561,1276 204.213,1277 206.968,1278 206.968,1279 60.008,1280 7.173,1281 54.37,1282 73.58,1283 17,1284 12.587,1285 4.087,1286 3.459,1287 41.636,1288 84,1289 93,1290 0.244,1291 178.408,1292 322.87,1293 427.076,1294 11060,1295 2.4,1296 18.137,1297 0.725,1298 0.588,1299 17.556,1300 14.692,1301 11.863,1302 0.439,1303 0.344,1304 7.808,1305 10.87,1306 7.381,1307 6.128,1308 12.213,1309 9.298,1310 11.323,1311 0.29,1312 0.188,1313 11.547,1314 7.325,1315 8.851,1316 0.174,1317 0.103,1318 9.147,1319 5.241,1320 7.368,1321 0.107,1322 0.052,1323 7.577,1324 3.574,1325 6.349,1326 0.07,1327 0.028,1328 6.401,1329 2.515,1330 0.374,1331 81.217,1332 0.241,1333 23.96,1334 0.693,1335 132,1336 456.592,1337 167.435,1338 439.479,1339 576.5,1340 404,1341 156,1342 386.719,1343 186.607,1344 412.52,1345 591.42,1346 385,1347 4.42}
{0 CHEMBL188136,1 1.275,2 10.714,3 3.387,4 11.471,5 90.335,6 5.696,7 0.286,8 3.942,9 4.098,10 3.247,11 3.429,12 4.864,13 3.344,14 4.521,15 4.767,16 3.515,17 3.803,18 5.326,19 3.679,20 4.772,21 5.021,22 3.556,23 3.979,24 5.617,25 3.813,26 4.942,27 5.252,28 3.488,29 3.963,30 5.74,31 3.766,32 4.76,33 5.04,34 3.388,35 3.843,36 5.62,37 3.657,38 4.707,39 5.016,40 3.193,41 3.715,42 5.478,43 3.507,44 4.492,45 4.789,46 3.148,47 3.584,48 5.229,49 3.394,50 4.452,51 4.715,52 3.109,53 3.545,54 5.339,55 3.382,56 0.064,57 0.689,58 12.635,59 4.965,60 9.145,61 7.359,62 0.214,63 1.057,64 21.4,65 7.767,66 19.084,67 11.762,68 0.188,69 1.276,70 26.915,71 10.207,72 28.432,73 15.112,74 0.3,75 1.316,76 30.443,77 10.788,78 44.415,79 16.173,80 0.211,81 1.154,82 25.935,83 9.283,84 38.006,85 13.936,86 0.279,87 1.035,88 24.08,89 8.28,90 34.213,91 12.615,92 0.124,93 0.873,94 19.341,95 7.334,96 19.354,97 10.891,98 0.217,99 0.844,100 19.469,101 6.532,102 32.49,103 9.834,104 50,105 27,106 0.221,107 0.497,108 0.723,109 0.778,110 0.792,111 0.792,112 3.101,113 1.13,114 -4.47,115 -4.4,116 -4.14,118 35.3,119 3,120 2,121 2,123 2,124 2,137 4,138 2,150 1,162 12,166 2,169 1,171 2,174 15,179 2,184 2,187 13,192 3,195 1,197 2,200 11,204 2,209 2,212 9,216 1,217 2,222 1,225 6,231 3,236 1,239 5,245 3,250 1,253 3,259 4,264 2,267 1,272 650,273 13.397,274 13.397,275 13.397,276 13.397,277 13.397,278 12.568,279 18.265,280 8.168,281 13.552,282 10.334,283 10.334,284 10.334,285 10.334,286 10.334,287 9.011,288 20.716,289 3.892,290 10.539,291 4.397,292 2.801,293 1.491,294 1.172,295 1.094,296 1.094,297 3.735,299 1,300 1,301 1,302 437,303 4.243,307 81.731,314 1.986,315 13.519,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 44,327 225,328 4.207,329 3.768,330 6.331,331 3.949,332 2.945,333 3.722,334 1.987,335 9.39,336 2.954,337 3.835,338 2.868,339 5.451,340 3.562,341 2.56,342 3.13,343 0.8,344 7.255,345 2.562,346 3.385,347 2.611,348 5.03,349 3.168,350 2.238,351 2.575,352 0.324,353 5.734,354 2.119,355 3.224,356 2.574,357 4.657,358 3.088,359 2.099,360 2.226,362 5.173,363 2.033,364 2.977,365 1.924,366 4.407,367 2.807,368 1.813,369 2.008,371 4.498,372 1.799,373 2.5,374 1.673,375 3.726,376 2.344,377 1.37,378 1.5,380 2.962,381 1.328,382 2.43,383 1.246,384 3.414,385 2,386 1,387 1.424,389 2.275,390 1,391 2.009,392 1,393 3.211,394 1.788,395 0.789,396 0.886,398 1.82,399 0.783,400 1.39,401 0.75,402 2.595,403 1.201,404 0.211,405 0.233,407 0.44,408 0.207,409 1.131,410 0.196,411 2.364,412 0.914,413 -0.09,414 -0.103,416 -0.216,417 -0.09,418 0.5,419 -0.17,420 2,421 0.261,422 -0.729,423 -0.793,425 -1.628,426 -0.711,427 0.455,428 -0.6,429 1.931,430 0.165,431 -0.835,432 -0.978,434 -2,435 -0.836,436 0.402,437 -0.683,438 1.56,440 -1,441 -1,443 -2,444 -0.9,446 -0.8,447 1.315,449 -1,450 -1,452 -2.043,453 -1,455 -1,456 1.222,457 -0.1,458 -1,459 -1.5,461 -3,462 -1,463 10.133,464 0.483,465 0.603,466 0.029,467 19.5,468 0.929,469 7.5,470 0.357,471 12,472 0.571,473 21.077,474 1.004,475 25.267,476 0.495,477 13.122,478 0.625,479 3.585,480 0.171,481 6.311,482 0.301,483 0.28,485 0.286,490 0.79,491 1.565,492 1.123,493 1.376,494 0.666,495 1.288,496 0.925,497 0.98,498 1.028,499 0.962,500 0.558,501 0.984,502 1.031,503 1.265,504 1.176,505 1.271,506 1.058,507 1.241,508 1.186,509 0.827,510 0.921,511 0.857,512 1.296,513 0.867,514 1.217,515 1.17,516 1.076,517 1.136,518 1.381,519 1.105,520 1.213,521 0.864,522 1.012,523 0.889,524 1.329,525 0.927,526 0.665,527 1.075,528 0.861,529 1.059,530 0.705,531 0.99,532 2.132,533 1.014,534 1.26,535 0.996,536 2.451,537 1.058,538 5,539 0.062,540 2.222,541 1.375,542 0.982,543 0.521,544 0.425,545 0.231,546 0.181,547 0.106,548 4163,549 7581,550 1.842,551 58.8,552 12,553 14,556 1,557 1,559 2,561 1.626,562 1.68,563 3.392,564 -0.385,565 1,566 1,570 65.028,571 1.275,572 2.871,573 4.181,574 4.5,575 4.579,576 4.579,577 2.892,578 3.821,579 4.355,580 3.582,581 752.154,582 7.438,583 8508.81,585 1,587 1,588 289.294,589 1.557,590 4.284,591 0.238,592 0.007,593 0.082,594 0.053,595 0.041,596 0.025,597 0.025,598 0.014,599 0.011,600 0.008,601 0.504,602 0.67,603 1,604 2.417,605 97.969,606 0.019,607 -0.185,608 0.018,609 -0.081,610 -0.049,611 -0.041,612 0.052,613 0.202,614 0.04,615 0.12,616 0.078,617 0.089,618 -0.058,619 -0.159,620 -0.142,621 -0.177,622 -0.04,623 -0.167,624 -0.005,625 0.111,626 0.062,627 0.087,628 -0.006,629 0.081,630 -0.038,631 -0.169,632 -0.066,633 -0.127,634 -0.029,635 -0.104,636 0.005,637 0.085,638 -0.022,639 0.042,640 -0.077,641 0.012,642 0.107,643 -0.104,644 0.097,645 -0.047,646 0.111,647 0.015,648 -0.279,649 0.004,650 -0.177,651 -0.009,652 -0.262,653 -0.078,654 1.551,655 5.126,656 0.286,657 21.941,658 0.978,659 1.138,660 3.239,661 10.488,662 0.61,663 3.091,664 3.332,665 3.401,666 3.497,667 3.584,668 3.555,669 3.664,670 3.555,671 3.219,672 2.944,673 6.399,674 0.552,675 290.5,676 3.091,677 4.575,678 5.342,679 6.163,680 6.956,681 7.782,682 8.588,683 9.418,684 10.233,685 11.065,686 3.9,689 1,693 1,701 4,706 2,708 6,724 51,726 7,727 1,728 21,730 51,731 18,732 6,733 2,734 4,737 1,738 1,743 3,749 2,751 7,752 11,753 2,754 1,758 1,761 1,763 1,764 1,767 30,768 3,769 1,770 3,773 2,777 1,778 1,789 1,798 1,806 1,810 1,815 5,819 21,827 4,828 1,831 2,832 1,839 2,842 1,846 12.5,847 10.367,848 4.806,849 3.243,850 1.175,851 1.199,852 0.891,853 7.627,854 7.077,855 3.258,856 3.676,857 4.012,858 4.411,859 4.847,860 4.869,861 5.116,862 5.071,863 4.58,864 4.235,865 1,866 26,867 7.808,869 3.023,870 0.006,871 7.556,872 15.403,874 11.919,876 2.056,877 43.167,878 0.001,880 1,881 341.362,882 101.53,883 21.135,885 25.145,888 101.53,889 366.507,890 21.135,891 43.268,892 27.291,893 37.905,894 29.85,895 9.495,897 341.362,899 341.362,900 122.665,901 25.145,904 317.82,905 48.687,908 56.891,909 65.774,912 341.362,913 46.28,914 101.53,917 341.362,918 20.356,919 84.298,920 18.011,921 25.145,922 341.362,923 46.28,924 101.53,926 0.567,927 0.288,928 0.136,929 0.07,930 9,931 6,932 0.157,933 8,935 1,936 3.314,937 135.331,939 6,940 84.239,944 17.869,945 8.963,946 6.878,948 46.28,949 8.458,954 2.431,956 18.011,957 489.172,958 25,962 12.126,965 0.116,967 49.901,968 58.019,969 0.225,970 0.506,971 0.737,972 0.793,973 0.807,974 0.807,975 4.46,976 0.789,977 5.313,978 2.275,979 4.007,980 4.357,981 2.19,982 6.009,983 3.979,984 5.603,985 0.211,986 6.817,987 1.82,988 3.611,989 4.06,990 1.668,991 6.756,992 3.579,993 6.852,994 -0.09,995 8.42,996 0.44,997 5.493,998 6.294,999 3.12,1000 9.75,1001 5.45,1002 8.13,1003 -0.729,1004 10.08,1005 -0.216,1006 5.832,1007 6.73,1008 3.181,1009 11.305,1010 5.802,1011 9.439,1012 -0.835,1013 11.778,1014 -1.628,1015 7.244,1016 8.542,1017 4.315,1018 13.849,1019 7.204,1020 10.769,1021 -1,1022 13.504,1023 -2,1024 7.933,1025 9.324,1026 4.656,1027 15.762,1028 7.913,1029 12.117,1030 -1,1031 15.252,1032 -2,1033 9.146,1034 10.945,1035 5.602,1036 18.134,1037 9.121,1038 2.945,1039 -1,1040 17.017,1041 -2.043,1042 10.017,1043 11.92,1044 6.091,1045 20.215,1046 10.011,1047 2.56,1048 9.39,1049 18.796,1050 -3,1051 11.143,1052 13.432,1053 6.927,1054 22.513,1055 11.135,1056 2.238,1057 7.255,1058 20.586,1059 3.722,1060 12.109,1061 14.524,1062 7.501,1063 24.675,1064 12.117,1065 2.099,1066 5.734,1067 22.385,1068 3.13,1069 13.198,1070 15.968,1071 8.273,1072 26.94,1073 13.207,1074 1.813,1075 5.173,1076 24.192,1077 2.575,1078 14.214,1079 17.134,1080 8.894,1081 29.14,1082 14.235,1083 1.37,1084 4.498,1085 26.006,1086 2.226,1087 15.289,1088 18.534,1089 9.631,1090 31.391,1091 15.312,1092 1,1093 2.962,1094 27.825,1095 2.008,1096 16.331,1097 19.75,1098 10.279,1099 33.61,1100 16.363,1101 4481,1102 6132,1103 12.83,1104 31.126,1105 30.486,1106 31.307,1107 31.36,1108 30.068,1109 30.05,1110 35.407,1111 6.222,1112 79.094,1113 29.57,1114 5.14,1115 5.768,1116 6.02,1117 4.949,1118 4.945,1119 6.722,1120 3.497,1121 16.02,1122 4.954,1123 14.29,1124 1.452,1125 1.491,1126 1.493,1127 1.432,1128 1.431,1129 1.686,1130 0.296,1131 3.766,1132 1.408,1133 3.984,1134 4.016,1135 3.913,1136 3.922,1137 7.428,1138 3.915,1139 3.749,1140 3.823,1141 3.623,1142 3.576,1143 4.728,1144 3.575,1145 3.665,1146 3.731,1147 3.516,1148 3.52,1149 4.349,1150 3.508,1151 3.518,1152 3.588,1153 3.378,1154 3.334,1155 4.21,1156 3.334,1157 3.336,1158 3.425,1159 3.132,1160 3.131,1161 4.102,1162 3.12,1163 3.005,1164 3.093,1165 2.817,1166 2.759,1167 3.91,1168 2.759,1169 2.895,1170 3.009,1171 2.687,1172 2.735,1173 3.674,1174 2.715,1175 2.874,1176 3.009,1177 2.647,1178 2.699,1179 3.489,1180 2.678,1181 0.2,1182 0.179,1183 0.301,1184 0.188,1185 0.14,1186 4.207,1187 0.177,1188 3.768,1189 0.095,1190 6.331,1191 0.447,1192 3.949,1193 0.141,1194 2.945,1195 3.722,1196 1.987,1197 9.39,1198 2.954,1199 1.966,1200 1.939,1201 2.097,1202 2.052,1203 1.326,1204 2.068,1205 1.72,1206 1.657,1207 1.958,1208 1.934,1209 1.237,1210 1.947,1211 1.666,1212 1.597,1213 1.92,1214 1.846,1215 1.15,1216 1.874,1217 1.488,1218 1.425,1219 1.742,1220 1.717,1221 0.863,1222 1.728,1223 1.345,1224 1.251,1225 1.677,1226 1.575,1227 0.813,1228 1.615,1229 0.958,1230 0.874,1231 1.417,1232 1.281,1233 0.475,1234 1.308,1235 0.937,1236 0.844,1237 1.417,1238 1.239,1239 0.469,1240 1.308,1241 0.934,1242 0.821,1243 1.321,1244 1.239,1245 0.469,1246 1.3,1247 3.761,1249 5.017,1251 6.438,1253 7.937,1255 9.483,1257 10.5,1263 3.815,1264 3.017,1267 0.575,1268 2.128,1272 28.133,1273 65.028,1274 146.442,1275 213.255,1276 229.519,1277 233.519,1278 233.519,1279 55.056,1280 5.903,1281 32.34,1282 32.34,1283 6,1284 11.641,1285 3,1286 2.322,1287 54.113,1288 78,1289 77,1290 0.337,1291 181.914,1292 316.93,1293 435.631,1294 2239,1296 15.828,1297 0.754,1298 0.674,1299 15.828,1300 14.148,1301 9.897,1302 0.471,1303 0.377,1304 7.836,1305 9.639,1306 7.391,1307 6.358,1308 9.897,1309 7.911,1310 8.925,1311 0.331,1312 0.241,1313 8.925,1314 6.509,1315 6.028,1316 0.208,1317 0.124,1318 6.028,1319 3.598,1320 4.363,1321 0.136,1322 0.073,1323 4.363,1324 2.325,1325 3.1,1326 0.089,1327 0.039,1328 3.1,1329 1.382,1330 0.542,1331 61.193,1332 0.279,1333 21.513,1334 0.882,1335 96,1336 217.714,1337 101.351,1338 215.577,1339 284.62,1340 200,1341 104,1342 195.735,1343 109.49,1344 205.903,1345 288.75,1346 189,1347 3.7}
{0 CHEMBL189321,1 1.629,2 7.889,3 2.264,4 5.127,5 66.642,6 8.176,7 0.632,8 3.502,9 3.603,10 3.113,11 3.088,12 4.808,13 3.082,14 3.938,15 4.065,16 3.452,17 3.446,18 5.352,19 3.419,20 4.193,21 4.362,22 3.528,23 3.555,24 5.5,25 3.513,26 4.248,27 4.438,28 3.361,29 3.451,30 5.644,31 3.39,32 4.133,33 4.367,34 3.072,35 3.298,36 5.268,37 3.193,38 3.879,39 4.119,40 2.95,41 3.08,42 5.011,43 2.986,44 3.753,45 3.977,46 2.873,47 2.814,48 5.156,49 2.784,50 3.595,51 3.827,52 2.55,53 2.464,54 5.004,55 2.458,56 0.087,57 0.456,58 5.07,59 2.771,60 18.618,61 3.041,62 0.195,63 0.704,64 8.52,65 4.518,66 40.937,67 5.256,68 0.201,69 0.902,70 12.592,71 5.996,72 37.819,73 7.076,74 0.419,75 0.945,76 14.873,77 5.928,78 76.833,79 6.706,80 0.317,81 0.745,82 14.445,83 5.488,84 61.854,85 6.927,86 0.15,87 0.606,88 10.679,89 4.335,90 27.819,91 5.806,92 0.207,93 0.569,94 9.676,95 3.467,96 34.459,97 4.124,98 0.28,99 0.42,100 9.251,101 2.731,102 55.493,103 3.001,104 21,105 26,106 0.31,107 0.63,108 0.698,109 0.81,110 0.859,111 0.859,112 2.96,113 0.859,114 -4.3,115 -4.24,116 -4,118 46.7,124 1,137 7,138 4,139 1,150 1,154 1,155 1,156 1,158 1,161 1,162 11,163 1,166 1,169 1,171 2,174 14,175 2,176 1,179 2,184 3,187 13,188 2,190 1,192 2,197 4,200 9,201 1,202 2,204 1,209 3,212 6,213 1,214 2,217 1,222 3,225 2,226 2,228 2,231 2,236 4,240 2,242 2,245 2,250 3,256 1,265 1,271 1,272 348,273 11.939,274 11.939,275 11.939,276 11.939,277 11.939,278 10.358,279 7.774,280 6.909,281 12.005,282 9.26,283 9.26,284 9.26,285 9.26,286 9.26,287 6.857,288 7.923,289 3.14,290 9.395,291 3.277,292 1.602,293 1.242,294 0.654,295 0.4,296 0.4,297 3.612,300 1,301 1,302 289,303 2.55,307 118.506,314 1.346,315 26.536,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 142,328 4.354,329 3.576,330 6.248,331 3.97,332 2.978,333 4.037,334 1.437,335 9.398,336 2.953,337 4.124,338 3.215,339 5.953,340 3.739,341 2.748,342 3.696,343 0.522,344 8.301,345 2.714,346 3.838,347 2.758,348 5.843,349 3.489,350 2.504,351 3.226,353 7.92,354 2.451,355 3.092,356 2.085,357 4.424,358 2.612,359 1.612,360 2.302,362 4.283,363 1.603,364 2.883,365 1.997,366 4.2,367 2.488,368 1.528,369 2.019,371 3.83,372 1.453,373 2.626,374 1.422,375 3.727,376 2.104,377 1.103,378 1.6,380 2.734,381 1.088,382 2.5,383 1,384 3.414,385 2,386 1,387 1.5,389 2.275,390 1,391 1.725,392 0.785,393 2.874,394 1.475,395 0.53,396 0.614,398 0.895,399 0.497,400 1.195,401 0.469,402 2.622,403 0.848,404 -0.086,405 -0.103,407 -0.165,408 -0.078,409 0.834,410 0.361,411 2.165,412 0.418,413 -0.553,414 -0.7,416 -1.234,417 -0.527,418 0.579,419 -0.382,420 2,421 0.143,422 -0.843,423 -1.125,425 -2,426 -0.826,427 0.5,428 -0.65,429 1.856,431 -1,432 -1.352,434 -2.237,435 -0.969,436 0.425,437 -1,438 1.645,439 -0.011,440 -1,441 -1.5,443 -3,444 -1,445 -0.034,446 -1.007,447 1.248,448 -0.375,449 -1.282,450 -1.633,452 -3.312,453 -1.162,454 -0.45,455 -1.335,456 1.014,457 -0.662,458 -1.62,459 -1.975,461 -4.661,462 -1.58,463 8.352,464 0.464,465 0.473,466 0.026,467 24,468 1.333,469 13.5,470 0.75,471 10.5,472 0.583,473 10.703,474 0.595,475 19.248,476 0.642,477 16.876,478 0.938,479 5.137,480 0.285,481 3.477,482 0.193,483 0.162,485 0.359,488 1,490 0.708,491 0.785,492 0.741,493 0.814,494 0.724,495 0.787,496 0.505,497 0.912,498 0.748,499 0.978,500 0.508,501 0.947,502 0.764,503 1.116,504 0.859,505 1.124,506 0.745,507 1.053,508 1.186,509 1.061,510 1.255,511 1.122,512 1.172,513 1.189,514 0.861,515 0.854,516 1.048,517 0.954,518 0.882,519 1.035,520 0.506,521 1.026,522 0.785,523 1.092,524 0.489,525 1.044,526 1.194,527 1.307,528 1.023,529 1.145,530 1.119,531 1.046,532 1.759,533 1.006,534 1.239,535 0.864,536 1.778,537 0.872,538 4,540 2.667,541 1.063,542 0.836,543 0.66,544 0.344,545 0.168,546 0.16,547 0.111,548 2579,549 9736,550 1.963,551 40,553 9,556 3,561 1.585,562 1.8,563 3.009,564 1.142,566 1,567 1,568 1,570 48.884,571 1.629,572 3.305,573 3.665,574 4.253,575 4.507,576 4.507,577 2.489,578 3.419,579 4.139,580 3.131,581 479.005,582 7.016,583 4504.42,585 1,587 1,588 147.207,589 1.53,590 4.076,591 0.211,593 0.103,594 0.039,595 0.04,596 0.041,597 0.025,598 0.014,599 0.02,600 0.019,601 0.511,602 0.67,603 1,604 1.066,605 76.436,606 -0.101,607 0.151,608 -0.038,609 0.173,610 -0.131,611 0.116,612 0.115,613 0.02,614 0.01,615 0.02,616 0.116,617 -0.005,618 -0.021,619 -0.144,620 0.004,621 -0.122,622 0.003,623 -0.071,624 -0.13,625 0.028,626 -0.295,627 -0.148,628 -0.129,629 -0.242,630 -0.083,631 -0.001,632 -0.06,633 0.019,634 -0.107,635 -0.005,636 0.08,637 -0.197,638 0.173,639 -0.116,640 0.091,641 0.011,642 -0.097,643 -0.202,644 0.027,645 -0.194,646 -0.04,647 -0.075,648 -0.3,649 0.004,650 -0.072,651 0.054,652 -0.311,653 0.068,654 2.636,655 5.298,656 0.667,657 12.741,658 1.019,659 1.125,660 3.075,661 9.455,662 0.681,663 2.996,664 3.296,665 3.526,666 3.664,667 3.871,668 3.912,669 3.932,670 3.784,671 3.85,672 3.807,673 4.845,674 0.667,675 245.27,676 2.996,677 4.511,678 5.342,679 6.196,680 7.047,681 7.904,682 8.76,683 9.619,684 10.477,685 11.337,686 3.3,687 1,701 7,706 5,708 12,716 1,723 1,724 30,726 13,727 2,728 19,730 31,731 14,732 12,733 5,734 7,735 1,737 2,738 2,743 1,751 13,752 1,754 1,758 1,761 1,764 1,765 1,767 12,768 4,769 3,770 4,773 1,777 1,778 2,789 2,804 1,808 1,810 2,817 1,819 18,820 1,826 1,827 1,838 1,839 6.7,841 1,842 1,846 10,847 5.176,848 4.083,849 1.607,850 2.374,851 1.39,852 0.955,853 3.514,854 8.466,855 3.296,856 3.892,857 4.46,858 4.972,859 5.533,860 5.773,861 6.14,862 6.32,863 6.687,864 6.961,865 1,866 27,867 6.631,869 2.833,870 0.006,871 8.306,872 12.054,874 9.605,876 2.806,877 50.5,881 105.94,882 91.213,883 32.897,885 67.828,886 14.96,888 91.213,889 173.768,890 47.857,892 35.003,893 66.334,894 68.738,895 21.863,896 14.96,897 105.94,899 105.94,900 124.11,901 82.788,904 120.9,905 67.828,908 35.003,909 89.107,912 120.9,913 100.725,914 91.213,917 105.94,918 24.879,919 66.334,921 115.686,922 105.94,923 115.686,924 91.213,926 0.581,927 0.344,928 0.164,929 0.086,930 12,931 6,932 0.097,933 3,935 1,936 2.98,937 122.669,939 12,940 71.059,944 12.431,945 5.087,946 2.641,948 115.686,949 11.096,954 1.974,956 75.581,957 312.838,958 26,962 10.728,965 -0.969,967 30.571,968 33.748,969 0.332,970 0.674,971 0.747,972 0.867,973 0.918,974 0.918,975 4.5,976 0.53,977 5.333,978 2.275,979 3.97,980 4.575,981 1.736,982 6.116,983 3.942,984 5.719,985 -0.086,986 6.891,987 0.895,988 3.611,989 4.388,991 7.008,992 3.554,993 7.026,994 -0.553,995 8.546,996 -0.165,997 5.549,998 6.769,999 2.269,1000 10.016,1001 5.502,1002 8.37,1003 -0.843,1004 10.255,1005 -1.234,1006 5.969,1007 7.346,1009 11.667,1010 5.893,1011 9.74,1012 -1,1013 11.996,1014 -2,1015 7.401,1016 9.223,1017 2.925,1018 14.183,1019 7.334,1020 11.129,1021 -1,1022 13.758,1023 -2.237,1024 8.161,1025 10.156,1027 16.136,1028 8.07,1029 12.532,1030 -1.282,1031 15.532,1032 -3,1033 9.384,1034 11.802,1035 3.619,1036 18.469,1037 9.297,1038 2.978,1039 -1.62,1040 17.316,1041 -3.312,1042 10.302,1043 12.922,1045 20.557,1046 10.196,1047 2.748,1048 9.398,1049 19.105,1050 -4.661,1051 11.435,1052 14.448,1053 4.33,1054 22.816,1055 11.328,1056 2.504,1057 8.301,1058 20.9,1059 4.037,1060 12.428,1061 15.675,1063 24.969,1064 12.307,1065 1.612,1066 7.92,1067 22.697,1068 3.696,1069 13.522,1070 17.135,1071 5.047,1072 27.2,1073 13.397,1074 1.528,1075 4.283,1076 24.498,1077 3.226,1078 14.553,1079 18.425,1081 29.386,1082 14.417,1083 1.103,1084 3.83,1085 26.3,1086 2.302,1087 15.632,1088 19.849,1089 5.769,1090 31.608,1091 15.49,1092 1,1093 2.734,1094 28.104,1095 2.019,1096 16.683,1097 21.176,1099 33.812,1100 16.531,1101 2686,1102 5275,1103 12.137,1104 20.421,1105 28.388,1106 29.177,1107 29.577,1108 28.089,1109 28.009,1110 37.988,1111 3.916,1112 79.271,1113 27.517,1114 5.021,1115 5.576,1116 5.77,1117 4.97,1118 4.978,1119 7.037,1120 2.873,1121 15.748,1122 4.953,1123 10.279,1124 1.494,1125 1.536,1126 1.557,1127 1.478,1128 1.474,1129 1.999,1130 0.206,1131 4.172,1132 1.448,1133 4.023,1134 4.044,1135 3.978,1136 3.972,1137 8.201,1138 3.97,1139 3.805,1140 3.829,1141 3.755,1142 3.725,1143 7.475,1144 3.727,1145 3.341,1146 3.411,1147 3.269,1148 3.138,1149 6.351,1150 3.155,1151 3.223,1152 3.24,1153 3.087,1154 2.983,1155 5.021,1156 3.003,1157 2.854,1158 2.925,1159 2.796,1160 2.735,1161 4.751,1162 2.715,1163 2.852,1164 2.888,1165 2.687,1166 2.641,1167 4.443,1168 2.669,1169 2.689,1170 2.782,1171 2.508,1172 2.428,1173 3.674,1174 2.438,1175 2.403,1176 2.464,1177 2.279,1178 2.156,1179 3.625,1180 2.181,1181 0.229,1182 0.188,1183 0.329,1184 0.209,1185 0.157,1186 4.354,1187 0.212,1188 3.576,1189 0.076,1190 6.248,1191 0.495,1192 3.97,1193 0.155,1194 2.978,1195 4.037,1196 1.437,1197 9.398,1198 2.953,1199 1.998,1200 1.98,1201 2.083,1202 2.067,1203 1.221,1204 2.073,1205 1.786,1206 1.763,1207 1.897,1208 1.895,1209 1.008,1210 1.895,1211 1.283,1212 1.219,1213 1.552,1214 1.555,1215 0.62,1216 1.559,1217 1.095,1218 1.077,1219 1.211,1220 1.392,1221 0.246,1222 1.324,1223 0.886,1224 0.821,1225 1.181,1226 1.062,1227 0.218,1228 1.107,1229 0.774,1230 0.734,1231 1.053,1232 1.01,1233 0.037,1234 1.026,1235 0.627,1236 0.546,1237 0.888,1238 0.93,1240 0.925,1241 0.333,1242 0.277,1243 0.73,1244 0.647,1246 0.675,1247 3.664,1249 4.963,1251 6.469,1253 8.061,1255 9.692,1259 13.298,1261 5.444,1262 8.799,1263 0.132,1272 19.995,1273 48.884,1274 99.149,1275 109.946,1276 127.597,1277 135.207,1278 135.207,1279 37.584,1280 6.091,1281 63.32,1282 63.32,1283 12,1284 11.888,1285 3.807,1286 3,1287 31.083,1288 52,1289 46,1290 0.307,1291 125.77,1292 220.41,1293 298.638,1294 2713,1295 3.3,1296 13.121,1297 0.729,1298 0.531,1299 12.251,1300 9.559,1301 8.613,1302 0.453,1303 0.286,1304 5.37,1305 8.316,1306 5.266,1307 4.369,1308 8.203,1309 5.438,1310 7.638,1311 0.294,1312 0.15,1313 7.12,1314 3.893,1315 6.353,1316 0.193,1317 0.083,1318 5.827,1319 2.731,1320 4.732,1321 0.125,1322 0.045,1323 4.415,1324 1.716,1325 3.618,1326 0.077,1327 0.024,1328 3.443,1329 1.135,1330 0.471,1331 54.055,1332 0.287,1333 18.046,1334 0.863,1335 90,1336 341.309,1337 98.953,1338 306.72,1339 397.41,1340 282,1341 104,1342 273.423,1343 111.48,1344 273.881,1345 396.86,1346 257,1347 3}
{0 CHEMBL189475,1 2.177,2 9.652,3 2.805,4 7.867,5 73.516,6 10.725,7 0.261,8 3.693,9 3.733,10 3.825,11 3.218,12 4.935,13 3.208,14 4.295,15 4.374,16 4.166,17 3.491,18 6.347,19 3.54,20 4.495,21 4.607,22 4.077,23 3.562,24 6.538,25 3.597,26 4.358,27 4.496,28 3.853,29 3.587,30 5.971,31 3.54,32 4.458,33 4.621,34 3.823,35 3.548,36 6.001,37 3.519,38 4.414,39 4.596,40 3.663,41 3.331,42 5.996,43 3.336,44 4.113,45 4.295,46 3.439,47 3.089,48 5.64,49 3.057,50 3.829,51 3.961,52 3.375,53 2.868,54 5.293,55 2.883,56 0.358,57 0.707,58 6.39,59 4.311,60 95.975,61 3.051,62 1.273,63 1.401,64 18.145,65 7.086,66 262.294,67 5.603,68 1.868,69 0.914,70 14.785,71 6.728,72 331.071,73 5.755,74 1.134,75 0.931,76 15.966,77 7.383,78 209.176,79 7.004,80 1.367,81 1.045,82 23.346,83 8.063,84 255.764,85 7.445,86 1.604,87 0.99,88 21.362,89 6.989,90 286.655,91 5.795,92 1.209,93 0.698,94 19.541,95 5.709,96 207.17,97 4.803,98 0.716,99 0.503,100 14.089,101 4.129,102 154.194,103 3.482,104 114,105 36,106 0.401,107 0.69,108 0.786,109 0.807,110 0.807,111 0.807,112 3.187,113 1.194,114 -1.93,115 -1.98,116 -1.98,118 31.4,119 1,121 1,123 1,131 1,137 4,138 1,139 1,150 1,162 6,165 4,166 3,169 3,171 1,174 7,179 4,184 2,187 6,191 2,192 9,197 2,200 2,204 11,209 2,217 7,230 1,231 6,234 1,245 2,258 4,262 2,272 655,273 13.32,274 13.32,275 13.32,276 13.32,277 13.32,278 11.813,279 13.952,280 7.29,281 13.913,282 11.288,283 11.288,284 11.288,285 11.288,286 11.288,287 8.793,288 13.986,289 3.44,290 12.373,291 2.953,292 1.383,293 0.865,294 0.75,295 0.75,296 0.75,297 3.808,299 1,300 1,301 1,302 427,303 5.196,307 89.559,314 1.784,315 66.202,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 57,327 222,328 4.999,329 5.697,330 8.104,331 4.514,332 3.69,333 4.697,334 6.006,335 14.438,336 3.087,337 4.646,338 4.326,339 6.519,340 4.116,341 3.164,342 4.437,343 1.969,344 10.301,345 3.024,346 4.176,347 3.798,348 6.233,349 3.851,350 2.867,351 3.701,352 1.914,353 9.174,354 2.779,355 3.763,356 3.723,357 5.569,358 3.388,359 2.453,360 3.066,361 0.219,362 7.389,363 2.295,364 3.364,365 2.784,366 5.106,367 2.937,368 2.026,369 2.499,371 6.042,372 1.834,373 3.21,374 2.432,375 4.868,376 2.73,377 1.775,378 2.334,380 5.285,381 1.589,382 2.5,383 1.407,384 3.611,385 2,386 1,387 1.5,389 2.275,390 1,391 2.046,392 1.132,393 3.414,394 1.771,395 0.774,396 0.909,398 1.935,399 0.764,400 1.237,401 1,402 3.324,403 0.889,404 -0.052,405 -0.063,407 -0.139,408 -0.048,409 1,410 0.911,411 2.819,412 0.579,413 -0.459,414 -0.576,416 -1.236,417 -0.464,418 1,419 0.51,420 2.683,421 0.163,422 -0.834,423 -1,425 -2.28,426 -0.7,427 1,428 0.51,429 2,431 -1,432 -1,434 -3,435 -0.7,436 0.53,437 0.208,438 2,440 -1,441 -1.039,443 -3,444 -0.789,445 0.5,446 0.039,447 2,449 -1,450 -1.239,452 -3,453 -0.831,454 0.283,455 -0.23,456 2,457 -0.202,458 -1,459 -1.5,461 -3,462 -1,463 10.424,464 0.453,465 1.272,466 0.055,467 28.25,468 1.228,469 14,470 0.609,471 14.25,472 0.62,473 17.723,474 0.771,475 28.576,476 0.816,477 26.179,478 1.138,479 5.456,480 0.237,481 4.772,482 0.207,483 0.338,484 0.208,485 0.192,489 3,490 0.568,491 1.138,492 0.815,493 1.571,494 0.726,495 1.063,496 0.397,497 0.834,498 0.814,499 1.232,500 0.496,501 0.989,502 0.659,503 0.636,504 0.693,505 0.642,506 0.669,507 0.935,508 0.61,509 0.738,510 0.904,511 1.014,512 0.54,513 1.168,514 0.872,515 0.894,516 1.035,517 1.057,518 0.856,519 1.118,520 1.283,521 1.006,522 1.035,523 0.814,524 1.198,525 1.014,526 1.177,527 0.891,528 1.174,529 0.862,530 1.076,531 0.92,532 0.98,533 0.987,534 1.154,535 1.372,536 1.07,537 1.178,538 9.5,539 0.149,540 4.222,541 2,542 1.542,543 0.882,544 0.61,545 0.384,546 0.358,547 0.16,548 4729,549 29659,550 1.738,551 34.3,552 3,553 7,556 1,557 1,561 1.653,562 1.525,563 3.212,564 -0.026,566 1,570 76.187,571 2.177,572 3.746,573 4.265,574 4.379,575 4.379,576 4.379,577 2.707,578 3.849,579 4.496,580 3.464,581 876.311,582 7.721,583 10253.1,584 1,585 1,586 1,587 1,588 179.525,589 1.85,590 4.327,591 0.413,592 0.012,593 0.117,594 0.059,595 0.053,596 0.031,597 0.028,598 0.023,599 0.024,600 0.01,601 0.77,602 0.33,603 1,604 1.835,605 108.784,606 0.032,607 -0.106,608 0.239,609 -0.189,610 -0.131,611 -0.005,612 0.474,613 0.19,614 0.137,615 -0.143,616 0.349,617 -0.028,618 0.254,619 0.186,620 0.028,621 0.132,622 0.208,623 -0.041,624 0.046,625 -0.064,626 -0.044,627 -0.083,628 0.106,629 -0.113,630 -0.118,631 -0.185,632 -0.08,633 -0.123,634 -0.073,635 -0.045,636 -0.323,637 -0.126,638 -0.114,639 0.016,640 -0.256,641 -0.004,642 -0.206,643 0.014,644 -0.09,645 0.11,646 -0.179,647 0.147,648 -0.167,649 -0.278,650 -0.055,651 -0.308,652 -0.214,653 -0.114,654 6.811,655 4.638,656 0.261,657 20.151,658 1.084,659 1.158,660 0.699,661 0.489,662 0.662,663 3.178,664 3.611,665 3.638,666 3.638,667 3.761,668 3.714,669 3.807,670 3.892,671 3.85,672 3.434,673 6.117,674 0.672,675 375.38,676 3.178,677 4.779,678 5.58,679 6.482,680 7.313,681 8.203,682 9.046,683 9.931,684 10.781,685 11.663,686 2.9,693 1,701 4,706 2,708 6,724 35,726 11,727 1,728 23,730 35,731 11,732 6,733 2,734 4,737 1,738 1,743 1,751 7,752 4,753 1,754 5,756 2,758 5,761 1,763 1,764 1,765 3,767 12,768 10,769 1,770 12,771 2,773 1,777 1,778 6,789 1,810 1,813 2,815 2,817 3,819 23,823 1,825 1,828 1,829 1,831 1,833 1,838 3,839 17.1,842 5,844 1,846 15.083,847 6.679,848 4.701,849 1.697,850 1.469,851 1.241,852 0.918,853 5.602,854 7.576,855 3.466,856 4.135,857 4.294,858 4.629,859 5.023,860 5.13,861 5.499,862 5.741,863 5.686,864 5.324,865 1,866 34,867 7.543,869 3.767,870 0.006,871 9.257,872 14.533,874 11.761,876 3.757,877 86.417,881 129.482,882 86.736,883 16.405,885 122.316,886 44.88,887 13.557,888 73.179,889 251.798,890 61.285,891 16.016,892 16.405,893 51.462,894 118.475,895 61.855,897 129.482,898 6.125,899 129.482,900 89.584,901 167.197,902 13.557,904 129.482,905 122.316,906 44.88,907 6.125,908 25.23,909 58.229,910 13.557,912 174.362,913 138.721,914 86.736,916 13.557,917 135.607,918 13.134,919 53.921,920 16.405,921 167.197,922 129.482,923 183.602,924 86.736,926 0.628,927 0.318,928 0.119,929 0.062,930 16,931 10,932 0.143,933 5,935 1,936 3.194,937 166.985,939 6,940 91.287,943 2,944 19.592,945 6.577,946 5.593,948 183.602,949 4.132,954 -0.343,956 16.405,957 399.82,958 31,960 -9.536,962 55.207,965 -0.843,967 37.942,968 40.52,969 0.424,970 0.73,971 0.831,972 0.854,973 0.854,974 0.854,975 4.775,976 0.774,977 5.753,978 2.275,979 4.29,980 4.82,981 4.251,982 6.693,983 4.131,984 6.112,985 -0.052,986 7.441,987 1.935,988 4.575,989 5.366,990 4.988,991 8.31,992 4.244,993 7.546,994 -0.459,995 9.259,996 -0.139,997 6.184,998 7.264,999 7.415,1000 11.254,1001 5.82,1002 9.014,1003 -0.834,1004 11.153,1005 -1.236,1006 7.107,1007 8.448,1008 8.783,1009 13.557,1010 6.552,1011 10.51,1012 -1,1013 13.094,1014 -2.28,1015 8.437,1016 10.06,1017 10.871,1018 16.266,1019 7.809,1020 12.024,1021 -1,1022 15.07,1023 -3,1024 9.576,1025 11.453,1026 12.463,1027 18.802,1028 8.762,1029 13.553,1030 -1,1031 17.071,1032 -3,1033 10.847,1034 12.997,1035 14.399,1036 21.468,1037 9.919,1038 3.69,1039 -1,1040 19.091,1041 -3,1042 12.068,1043 14.466,1044 16.093,1045 24.087,1046 10.959,1047 3.164,1048 14.438,1049 21.128,1050 -3,1051 13.334,1052 15.993,1053 17.956,1054 26.748,1055 12.081,1056 2.867,1057 10.301,1058 23.176,1059 4.697,1060 14.59,1061 17.493,1062 19.7,1063 29.398,1064 13.159,1065 2.453,1066 9.174,1067 25.234,1068 4.437,1069 15.863,1070 19.017,1071 21.527,1072 32.062,1073 14.27,1074 2.026,1075 7.389,1076 27.3,1077 3.701,1078 17.136,1079 20.532,1080 23.296,1081 34.723,1082 15.364,1083 1.775,1084 6.042,1085 29.371,1086 3.066,1087 18.418,1088 22.057,1089 25.105,1090 37.39,1091 16.473,1092 1,1093 5.285,1094 31.447,1095 2.499,1096 19.701,1097 23.579,1098 26.886,1099 40.056,1100 17.575,1101 5161,1102 13158,1103 12.712,1104 23.17,1105 35.841,1106 38.461,1107 37.151,1108 35.726,1109 35.5,1110 46.286,1111 20.216,1112 113.679,1113 32.744,1114 5.874,1115 7.697,1116 7.519,1117 5.571,1118 5.69,1119 7.697,1120 10.217,1121 22.666,1122 5.087,1123 18.935,1124 1.558,1125 1.672,1126 1.615,1127 1.553,1128 1.543,1129 2.012,1130 0.879,1131 4.943,1132 1.424,1133 4.041,1134 4.023,1135 4.74,1136 3.969,1137 8.518,1138 3.916,1139 3.96,1140 3.904,1141 4.714,1142 3.905,1143 7.999,1144 3.767,1145 3.835,1146 3.808,1147 3.856,1148 3.782,1149 7.999,1150 3.688,1151 3.471,1152 3.505,1153 3.41,1154 3.327,1155 7.72,1156 3.318,1157 2.966,1158 3.042,1159 3.079,1160 2.735,1161 7.707,1162 2.715,1163 2.932,1164 2.949,1165 2.8,1166 2.647,1167 7.426,1168 2.675,1169 2.854,1170 2.925,1171 2.687,1172 2.584,1173 6.999,1174 2.598,1175 2.693,1176 2.752,1177 2.566,1178 2.34,1179 6.999,1180 2.421,1181 0.217,1182 0.248,1183 0.352,1184 0.196,1185 0.16,1186 4.999,1187 0.204,1188 5.697,1189 0.261,1190 8.104,1191 0.628,1192 4.514,1193 0.134,1194 3.69,1195 4.697,1196 6.006,1197 14.438,1198 3.087,1199 1.935,1200 1.923,1201 2.036,1202 2.036,1203 1.216,1204 2.049,1205 1.727,1206 1.767,1207 1.728,1208 1.886,1209 0.969,1210 1.937,1211 1.595,1212 1.67,1213 1.606,1214 1.785,1215 0.837,1216 1.809,1217 1.425,1218 1.392,1219 1.208,1220 1.61,1221 0.618,1222 1.637,1223 0.89,1224 0.821,1225 1.181,1226 1.24,1227 0.239,1228 1.248,1229 0.886,1230 0.804,1231 1.1,1232 1.062,1233 0.218,1234 1.107,1235 0.718,1236 0.67,1237 0.92,1238 1.05,1239 0.057,1240 0.991,1241 0.511,1242 0.478,1243 0.638,1244 0.916,1246 0.873,1247 3.85,1249 5.252,1251 6.808,1253 8.427,1255 10.077,1257 2.152,1259 36.502,1264 1.748,1265 3.893,1267 -0.932,1269 -5.561,1272 23.522,1273 76.187,1274 131.119,1275 149.26,1276 153.26,1277 153.26,1278 153.26,1279 116.425,1280 6.107,1281 106.61,1282 123.37,1283 6,1284 12.204,1285 3.585,1286 3.17,1287 62.761,1288 87,1289 63,1290 0.374,1291 153.811,1292 284.01,1293 367.06,1294 2690,1295 8.6,1296 18.052,1297 0.785,1298 0.583,1299 16.052,1300 13.42,1301 10.228,1302 0.445,1303 0.398,1304 5.954,1305 8.03,1306 5.531,1307 4.582,1308 10.832,1309 9.151,1310 11.72,1311 0.326,1312 0.217,1313 12.912,1314 7.799,1315 7.296,1316 0.197,1317 0.111,1318 6.286,1319 4.1,1320 4.562,1321 0.123,1322 0.065,1323 5.512,1324 2.41,1325 3.286,1326 0.078,1327 0.038,1328 3.647,1329 1.583,1330 0.591,1331 84.623,1332 0.28,1333 22.673,1334 1.015,1335 118,1336 714.8,1337 228.245,1338 628.818,1339 778.26,1340 562,1341 132,1342 467.735,1343 245.157,1344 518.665,1345 765.57,1346 475,1347 5.92}
{0 CHEMBL189544,1 1.375,2 5.071,3 2.567,4 6.592,5 53.176,6 6.937,7 0.429,8 3.394,9 3.498,10 2.847,11 2.906,12 4.617,13 2.873,14 3.873,15 4.042,16 3.242,17 3.288,18 5.16,19 3.238,20 4.15,21 4.303,22 3.29,23 3.482,24 5.36,25 3.392,26 4.418,27 4.684,28 3.166,29 3.419,30 5.656,31 3.27,32 4.142,33 4.414,34 2.802,35 3.129,36 5.14,37 2.977,38 3.806,39 4.029,40 2.712,41 2.71,42 5.156,43 2.646,44 3.721,45 3.895,46 1.512,47 2.092,48 5.22,49 2.046,50 2.831,51 3.305,52 0.12,53 1.283,54 2.944,55 0.81,56 0.052,57 0.344,58 6.165,59 2.885,60 12.03,61 3.579,62 0.155,63 0.538,64 10.434,65 4.6,66 38.556,67 6.056,68 0.074,69 0.701,70 13.668,71 5.977,72 20.714,73 7.83,74 0.431,75 0.778,76 19.979,77 6.761,78 84.997,79 9.726,80 0.213,81 0.584,82 15.096,83 5.062,84 50.839,85 7.25,86 0.112,87 0.397,88 10.67,89 3.313,90 26.131,91 4.568,92 0.563,93 0.251,94 11.549,95 1.821,96 108.142,97 1.959,98 0.074,99 0.119,100 4.385,101 1.136,102 14.254,103 2.053,104 41,105 21,106 0.275,107 0.627,108 0.675,109 0.724,110 0.724,111 0.724,112 2.734,113 0.941,114 -4.12,115 -4.06,116 -3.85,118 39.3,119 3,122 1,137 3,138 2,139 1,150 1,158 1,161 1,162 8,163 1,166 1,169 1,171 3,174 12,175 1,179 1,184 3,185 1,187 10,188 2,192 2,195 1,196 1,197 3,200 6,201 2,204 2,209 3,213 3,217 3,222 6,272 144,273 8.317,274 8.317,275 8.317,276 8.317,277 8.317,278 7.435,279 10.498,280 4.628,281 8.356,282 6.859,283 6.859,284 6.859,285 6.859,286 6.859,287 5.506,288 9.293,289 2.148,290 6.934,291 3.433,292 1.671,293 1.43,294 1.189,295 1.189,296 1.189,297 3.327,300 1,301 1,302 134,303 3.24,307 46.952,314 0.796,315 19.654,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 31,327 71,328 4.506,329 3.641,330 7.121,331 4.332,332 3.333,333 4.061,334 1.437,335 11.718,336 3.33,337 4.156,338 3.503,339 6.329,340 3.864,341 2.876,342 3.424,344 9.379,345 2.83,346 3.324,347 2.662,348 4.722,349 2.9,350 1.912,351 2.53,353 4.9,354 1.869,355 2.9,356 1.664,357 4.585,358 2.547,359 1.567,360 2.009,362 4.556,363 1.529,364 2.532,365 1.331,366 3.607,367 2.005,368 1,369 1.475,371 2.421,372 0.994,373 1.216,374 0.493,375 2.873,376 0.856,377 -0.088,378 -0.106,380 -0.203,381 -0.081,382 0.667,383 0.252,384 2.316,385 0.194,386 -0.816,387 -1,389 -2,390 -0.803,391 0.409,392 -0.728,393 2,395 -1,396 -1,398 -2.508,399 -0.981,401 -0.884,402 2,404 -1,405 -1.078,407 -3,408 -1,410 -1,411 2,412 -0.018,413 -1,414 -1.429,416 -3,417 -1,418 -0.029,419 -1,420 1.499,421 -0.311,422 -1.242,423 -1.46,425 -3.295,426 -1.154,427 -0.5,428 -1.458,429 1.241,430 -0.709,431 -1.686,432 -2.101,434 -5.603,435 -1.673,436 -0.514,437 -1.675,438 1,439 -0.86,440 -1.857,441 -2.326,443 -6.354,444 -1.86,445 -0.667,446 -2,447 0.708,448 -1,449 -2,450 -3,451 -1.437,452 -7.01,453 -2,463 6.5,464 0.464,465 0.68,466 0.049,467 15.75,468 1.125,469 8,470 0.571,471 7.75,472 0.554,473 11.001,474 0.786,475 16.3,476 0.582,477 10.444,478 0.746,479 2.986,480 0.213,481 3.335,482 0.238,483 0.385,484 0.077,485 0.308,490 0.864,491 1.083,492 0.92,493 1.076,494 0.877,495 1.02,496 0.38,497 0.903,498 0.596,499 0.897,500 0.362,501 0.81,502 0.698,503 1.499,504 1.126,505 1.504,506 0.696,507 1.424,508 0.551,509 0.949,510 0.811,511 0.959,512 0.569,513 0.945,514 0.794,515 0.962,516 0.887,517 0.964,518 0.853,519 0.949,520 1.137,521 1.413,522 0.963,523 1.366,524 1.056,525 1.162,526 4.354,527 0.356,528 2.641,529 0.394,530 4.321,531 1.027,538 5,540 2.444,541 1.313,542 0.853,543 0.813,548 976,549 3154,550 1.753,551 50,552 9,553 3,556 2,561 1.515,562 1.541,563 2.434,564 0.477,568 1,570 38.494,571 1.375,572 3.136,573 3.377,574 3.619,575 3.619,576 3.619,577 1.788,578 2.182,579 3.782,580 2.524,581 229.646,582 6.333,583 1830.16,585 1,588 134.606,589 1.788,590 3.628,591 0.357,593 0.116,594 0.066,595 0.053,596 0.074,601 0.666,602 1,603 1,604 1.197,605 51.84,606 -0.114,607 0.118,608 -0.046,609 0.111,610 -0.161,611 0.057,612 0.226,613 0.216,614 0.282,615 0.225,616 0.262,617 0.26,618 -0.043,619 -0.386,620 -0.26,621 -0.393,622 -0.038,623 -0.378,624 0.227,625 -0.03,626 0.135,627 -0.025,628 0.198,629 0.026,630 -0.015,631 -0.053,632 0.06,633 -0.039,634 -0.057,635 0.017,636 -0.009,637 -0.505,638 0.039,639 -0.461,640 0.087,641 -0.239,642 -1.232,643 0.364,644 -1.287,645 0.237,646 -1.224,647 -0.421,648 0.313,649 0.642,650 0.963,651 0.716,652 0.309,653 0.943,654 2.77,655 3.741,656 0.429,657 7.184,658 1.006,659 1.126,660 2.889,661 8.345,662 0.632,663 2.708,664 3.091,665 3.178,666 3.258,667 3.401,668 3.401,669 2.833,670 2.197,673 3.529,674 0.601,675 194.25,676 2.708,677 4.263,678 5.069,679 5.958,680 6.797,681 7.683,682 8.529,683 9.414,684 10.263,685 11.146,701 3,706 3,708 6,716 1,721 1,724 28,726 7,727 1,728 14,730 28,731 11,732 6,733 3,734 3,735 1,737 1,738 1,743 3,744 1,751 7,752 4,754 1,758 1,761 1,764 1,767 14,768 3,769 2,770 3,777 1,778 3,789 1,808 1,810 1,815 3,819 14,826 2,833 1,839 10.7,841 2,842 1,846 9.083,847 5.817,848 2.972,849 1.524,850 1.344,851 1.259,852 0.822,853 2.741,854 6.537,855 2.944,856 3.541,857 3.994,858 4.447,859 4.925,860 5.03,861 4.868,862 4.239,865 1,866 20,867 5.163,868 0.002,869 2.154,870 0.006,871 8.28,872 9.43,873 0.001,874 7.406,875 0.001,876 2.78,877 38.917,878 0.003,881 141.253,882 62.185,885 110.512,888 62.185,889 251.765,891 26.476,893 28.429,894 111.421,895 6.371,897 141.253,899 141.253,900 62.185,901 110.512,904 141.253,905 110.512,908 26.476,909 35.71,912 141.253,913 110.512,914 62.185,917 141.253,918 7.281,919 54.904,921 110.512,922 141.253,923 110.512,924 62.185,926 0.614,927 0.324,928 0.141,929 0.075,930 10,931 6,932 0.071,933 2,935 1,936 2.367,937 83.625,939 6,940 48.548,944 10.896,945 3.522,946 2.414,948 110.512,949 4.67,954 0.663,956 85.367,957 313.95,958 18,962 10.741,965 -1.103,967 28.167,968 31.535,969 0.286,970 0.652,971 0.703,972 0.753,973 0.753,974 0.753,975 4.212,976 -1,977 5.187,978 -2,979 3.761,980 4.22,981 1.635,982 6.08,983 3.741,984 5.494,985 -1,986 6.836,987 -2.508,988 3.892,989 4.35,991 7.479,992 3.862,993 6.855,994 -1,995 8.601,996 -3,997 5.541,998 6.42,999 2.253,1000 10.404,1001 5.512,1002 8.247,1003 -1.242,1004 10.429,1005 -3,1006 6.347,1007 7.209,1009 12.486,1010 6.312,1011 9.664,1012 -1.686,1013 12.293,1014 -3.295,1015 7.667,1016 8.914,1017 2.922,1018 15.071,1019 7.634,1020 11.098,1021 -1.857,1022 14.181,1023 -5.603,1024 8.71,1025 9.989,1027 17.382,1028 8.674,1029 12.545,1030 -2,1031 16.084,1032 -6.354,1033 9.933,1034 11.539,1035 3.619,1036 19.868,1037 9.897,1038 3.333,1040 17.999,1041 -7.01,1042 11.062,1043 12.758,1045 22.264,1046 11.025,1047 2.876,1048 11.718,1049 19.922,1051 12.256,1052 14.234,1053 4.33,1054 24.722,1055 12.22,1056 1.912,1057 9.379,1058 21.851,1059 4.061,1060 13.419,1061 15.53,1063 27.151,1064 13.383,1065 1.567,1066 4.9,1067 23.785,1068 3.424,1069 14.607,1070 16.966,1071 5.047,1072 29.603,1073 14.572,1074 1,1075 4.556,1076 25.722,1077 2.53,1078 15.786,1079 18.306,1081 32.047,1082 15.751,1083 -0.088,1084 2.421,1085 27.663,1086 2.009,1087 16.974,1088 19.723,1089 5.769,1090 34.5,1091 16.94,1092 -0.816,1093 -0.203,1094 29.607,1095 1.475,1096 18.161,1097 21.087,1099 36.951,1100 18.127,1101 1149,1102 2149,1103 7.86,1104 17.693,1105 21.98,1106 22.473,1107 22.729,1108 21.439,1109 21.377,1110 26.999,1111 2.873,1112 65.947,1113 21.104,1114 5.173,1115 5.641,1116 6.414,1117 5.332,1118 5.333,1119 7.061,1120 2.873,1121 18.728,1122 5.33,1123 9.769,1124 1.57,1125 1.605,1126 1.623,1127 1.531,1128 1.527,1129 1.929,1130 0.205,1131 4.71,1132 1.507,1133 3.981,1134 4.001,1135 3.929,1136 3.916,1137 7.475,1138 3.915,1139 3.609,1140 3.654,1141 3.489,1142 3.48,1143 6.469,1144 3.473,1145 3.244,1146 3.238,1147 3.174,1148 2.99,1149 6.35,1150 3.028,1151 2.874,1152 3.009,1153 2.7,1154 2.636,1155 4.61,1156 2.639,1157 2.874,1158 3.009,1159 2.499,1160 2.618,1161 4.157,1162 2.57,1163 2.834,1164 2.87,1165 2.499,1166 2.618,1167 3.586,1168 2.57,1169 2.648,1170 2.691,1171 2.497,1172 2.33,1173 3.467,1174 2.382,1175 2.095,1176 2.168,1177 1.837,1178 1.534,1179 3.467,1180 1.587,1181 0.322,1182 0.26,1183 0.509,1184 0.309,1185 0.238,1186 4.506,1187 0.29,1188 3.641,1189 0.103,1190 7.121,1191 0.837,1192 4.332,1193 0.238,1194 3.333,1195 4.061,1196 1.437,1197 11.718,1198 3.33,1199 1.955,1200 1.935,1201 2.077,1202 2.044,1203 1.285,1204 2.053,1205 1.603,1206 1.557,1207 1.814,1208 1.772,1209 0.923,1210 1.787,1211 1.095,1212 1.09,1213 1.417,1214 1.402,1215 0.469,1216 1.338,1217 0.934,1218 0.804,1219 1.417,1220 1.239,1221 0.469,1222 1.308,1223 0.934,1224 0.804,1225 1.244,1226 1.239,1227 0.227,1228 1.308,1229 0.774,1230 0.731,1231 1.018,1232 1.051,1233 0.029,1234 1.032,1235 0.513,1236 0.488,1237 0.812,1238 0.895,1240 0.891,1243 0.502,1244 0.474,1246 0.472,1247 3.367,1249 4.727,1251 6.267,1253 7.885,1255 9.542,1257 5.973,1262 18.086,1269 -0.113,1272 16.832,1273 38.494,1274 87.812,1275 94.567,1276 101.322,1277 101.322,1278 101.322,1279 34.767,1280 5.193,1281 57.53,1282 57.53,1283 6,1284 11.687,1285 3,1286 2.322,1287 27.687,1288 31,1289 20,1290 0.514,1291 109.172,1292 191.41,1293 258.14,1294 720,1296 10.931,1297 0.781,1298 0.61,1299 10.931,1300 8.535,1301 6.32,1302 0.451,1303 0.314,1304 4.345,1305 6.111,1306 4.071,1307 3.487,1308 6.32,1309 4.389,1310 6.761,1311 0.322,1312 0.204,1313 6.761,1314 4.287,1315 4.339,1316 0.189,1317 0.091,1318 4.339,1319 2.093,1320 3.073,1321 0.123,1322 0.047,1323 3.073,1324 1.174,1325 2.173,1326 0.075,1327 0.026,1328 2.173,1329 0.749,1330 0.741,1331 39.654,1332 0.357,1333 13.742,1334 1.6,1335 70,1336 224.035,1337 76.532,1338 216.751,1339 277.37,1340 196,1341 79,1342 190.697,1343 84.316,1344 197.139,1345 280.6,1346 181,1347 4.31}
{0 CHEMBL189593,1 1.49,2 6.438,3 2.206,4 4.867,5 62.653,6 7.898,7 0.706,8 3.394,9 3.495,10 2.986,11 3.007,12 4.678,13 2.99,14 3.796,15 3.909,16 3.31,17 3.358,18 5.187,19 3.315,20 4.044,21 4.211,22 3.306,23 3.452,24 5.261,25 3.379,26 4.08,27 4.285,28 3.152,29 3.331,30 5.26,31 3.243,32 3.929,33 4.141,34 3.036,35 3.182,36 5.115,37 3.099,38 3.792,39 4.004,40 2.822,41 2.971,42 5.042,43 2.885,44 3.633,45 3.873,46 2.515,47 2.595,48 4.905,49 2.521,50 3.183,51 3.422,52 2.066,53 1.996,54 4.776,55 1.928,56 0.05,57 0.344,58 4.819,59 2.368,60 11.478,61 2.749,62 0.122,63 0.506,64 7.435,65 3.857,66 27.776,67 4.767,68 0.08,69 0.652,70 10.736,71 4.936,72 18.044,73 6.236,74 0.156,75 0.648,76 12.717,77 5.158,78 35.013,79 6.541,80 0.113,81 0.562,82 10.923,83 4.437,84 25.939,85 5.75,86 0.109,87 0.491,88 9.563,89 3.693,90 22.68,91 4.72,92 0.151,93 0.397,94 9.188,95 3.067,96 33.345,97 3.841,98 0.183,99 0.246,100 5.955,101 1.8,102 36.459,103 2.309,104 11,105 23,106 0.29,107 0.532,108 0.676,109 0.849,110 0.898,111 0.913,112 2.853,113 0.857,114 -3.91,115 -3.87,116 -3.67,118 48.1,137 8,138 3,139 1,150 1,154 1,155 1,156 1,158 1,161 1,162 11,163 1,166 1,169 1,171 3,174 14,175 2,176 2,179 2,184 4,187 12,188 2,190 2,192 2,197 4,200 8,201 2,202 2,204 2,209 4,212 6,213 2,214 2,217 2,222 4,225 3,226 1,228 2,231 1,236 2,237 1,239 1,240 1,242 1,243 1,245 1,247 1,248 1,249 1,250 1,252 1,272 258,273 10.569,274 10.569,275 10.569,276 10.569,277 10.569,278 8.988,279 5.44,280 6.299,281 10.594,282 8.389,283 8.389,284 8.389,285 8.389,286 8.389,287 6.056,288 4.151,289 2.982,290 8.432,291 3.265,292 2.028,293 1.287,294 0.398,295 0.148,296 0.074,297 3.502,300 1,301 1,302 211,303 2.236,307 98.533,314 1.063,315 16.78,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 34.5,327 103,328 4.327,329 3.579,330 6.225,331 3.951,332 2.951,333 3.989,334 1.437,335 9.355,336 2.947,337 4.013,338 2.893,339 5.85,340 3.634,341 2.635,342 3.547,344 7.97,345 2.622,346 3.595,347 2.391,348 5.039,349 3.199,350 2.214,351 2.954,353 6.03,354 2.176,355 3.063,356 1.951,357 4.29,358 2.591,359 1.593,360 2.264,362 4,363 1.58,364 2.729,365 1.39,366 3.697,367 2.247,368 1.25,369 1.822,371 2.819,372 1.244,373 2.534,374 1.189,375 3.467,376 2.006,377 1,378 1.5,380 2.438,381 1,382 2.5,383 1,384 3.434,385 2,386 1,387 1.473,389 2.321,390 0.994,391 0.981,392 0.435,393 2.519,394 0.588,395 -0.386,396 -0.495,398 -0.863,399 -0.374,400 0.845,401 -0.245,402 2,403 0.45,404 -0.539,405 -0.711,407 -1.37,408 -0.533,409 0.709,410 -0.502,411 2,412 0.244,413 -0.768,414 -1.007,416 -2,417 -0.756,418 0.5,419 -0.693,420 1.716,422 -1,423 -1.429,425 -2.085,426 -0.981,427 0.408,428 -1,429 1.469,430 -0.019,431 -1,432 -1.5,434 -2.701,435 -1,436 -0.076,437 -1.274,438 1.322,439 -0.401,440 -1.371,441 -1.841,443 -3.407,444 -1.331,445 -0.473,446 -1.568,447 1.067,448 -0.683,449 -1.675,450 -2.139,452 -5.238,453 -1.683,454 -0.5,455 -1.885,456 1,457 -0.907,458 -1.905,459 -2.428,461 -5.325,462 -1.905,463 7.567,464 0.473,465 0.421,466 0.026,467 23.25,468 1.453,469 14,470 0.875,471 9.25,472 0.578,473 8.103,474 0.506,475 16.433,476 0.609,477 15.048,478 0.94,479 4.884,480 0.305,481 2.78,482 0.174,483 0.141,485 0.33,490 0.859,491 0.784,492 0.799,493 0.755,494 0.86,495 0.752,496 0.361,497 1.034,498 0.777,499 1.021,500 0.376,501 0.986,502 0.686,503 1.123,504 0.995,505 1.148,506 0.687,507 1.129,508 0.98,509 1.018,510 1.025,511 1.033,512 0.99,513 1.04,514 0.844,515 1.039,516 0.923,517 1.033,518 0.839,519 1,520 1.03,521 1.173,522 1.089,523 1.16,524 1.007,525 1.135,526 1.525,527 1.047,528 1.076,529 0.977,530 1.529,531 0.952,532 1.382,533 0.931,534 1.134,535 1.021,536 1.369,537 1.038,538 3.5,540 1.778,541 0.875,542 0.684,543 0.542,544 0.204,545 0.156,546 0.041,548 1809,549 5894,550 1.993,551 40.7,553 8,556 3,561 1.553,562 1.846,563 2.787,564 1.189,568 1,570 40.222,571 1.49,572 2.727,573 3.468,574 4.357,575 4.607,576 4.681,577 2.203,578 3.281,579 3.975,580 2.859,581 343.112,582 6.699,583 2954.33,585 1,587 1,588 128.382,589 1.477,590 3.918,591 0.206,593 0.077,594 0.04,595 0.038,596 0.034,597 0.017,598 0.02,599 0.01,601 0.442,602 0.83,603 1,604 0.953,605 63.874,606 -0.146,607 0.272,608 -0.04,609 0.199,610 -0.19,611 0.125,612 0.25,613 -0.05,614 -0.003,615 -0.042,616 0.24,617 -0.064,618 -0.039,619 -0.145,620 -0.138,621 -0.182,622 -0.02,623 -0.177,624 -0.085,625 -0.082,626 -0.058,627 -0.059,628 -0.093,629 -0.055,630 -0.021,631 -0.096,632 0.047,633 -0.058,634 -0.014,635 -0.005,636 -0.077,637 -0.21,638 -0.1,639 -0.211,640 -0.057,641 -0.167,642 -0.152,643 -0.118,644 0.048,645 -0.03,646 -0.157,647 0.031,648 0.319,649 0.038,650 0.056,651 -0.111,652 0.324,653 -0.095,654 2.592,655 3.827,656 0.75,657 8.625,658 1.006,659 1.111,660 2.682,661 7.195,662 0.693,663 2.89,664 3.178,665 3.367,666 3.555,667 3.761,668 3.664,669 3.689,670 3.555,671 3.434,672 3.219,673 4.158,674 0.67,675 213.25,676 2.89,677 4.394,678 5.209,679 6.061,680 6.899,681 7.753,682 8.598,683 9.453,684 10.301,685 11.156,686 3.7,690 1,701 8,706 4,708 12,716 1,717 1,724 27,726 13,727 2,728 17,730 28,731 13,732 12,733 4,734 8,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,767 11,768 3,769 3,770 3,773 1,777 1,778 2,789 2,808 1,810 2,819 16,820 1,826 1,839 7.4,841 1,842 1,846 8.667,847 4.617,848 3.556,849 1.411,850 2.4,851 1.411,852 0.959,853 2.816,854 8.244,855 3.219,856 3.807,857 4.35,858 4.896,859 5.455,860 5.577,861 5.955,862 6.157,863 6.405,864 6.529,865 1,866 22,867 5.855,869 2.456,870 0.006,871 8.083,872 10.816,874 8.578,876 2.583,877 41.333,878 0.001,881 94.169,882 89.033,883 32.897,885 67.828,888 89.033,889 161.997,890 32.897,893 108.707,894 68.738,895 12.313,897 94.169,899 94.169,900 121.931,901 67.828,904 94.169,905 67.828,909 121.931,912 94.169,913 100.725,914 89.033,917 94.169,918 13.223,919 75.81,921 100.725,922 94.169,923 100.725,924 89.033,926 0.578,927 0.324,928 0.165,929 0.094,930 11,931 5,932 0.071,933 2,935 1,936 2.802,937 104.251,939 12,940 64,944 10.553,945 4.269,946 2.36,948 100.725,949 14.152,954 2.716,956 75.581,957 283.928,958 24,962 10.827,965 -0.925,967 27.174,968 29.993,969 0.313,970 0.574,971 0.729,972 0.916,973 0.969,974 0.984,975 4.407,976 -0.386,977 5.187,978 2.321,979 3.85,980 4.489,981 1.635,982 5.943,983 3.84,984 5.619,985 -0.539,986 6.718,987 -0.863,988 3.434,989 4.205,991 6.749,992 3.407,993 6.911,994 -0.768,995 8.347,996 -1.37,997 5.389,998 6.654,999 2.253,1000 9.787,1001 5.373,1002 8.238,1003 -1,1004 10.033,1005 -2,1006 5.74,1007 7.124,1009 11.39,1010 5.71,1011 9.592,1012 -1,1013 11.754,1014 -2.085,1015 7.203,1016 9.071,1017 2.922,1018 13.931,1019 7.181,1020 10.966,1021 -1.371,1022 13.498,1023 -2.701,1024 7.912,1025 9.92,1027 15.869,1028 7.883,1029 12.355,1030 -1.675,1031 15.259,1032 -3.407,1033 9.156,1034 11.616,1035 3.619,1036 18.218,1037 9.131,1038 2.951,1039 -1.905,1040 17.031,1041 -5.238,1042 10.042,1043 12.677,1045 20.309,1046 10.013,1047 2.635,1048 9.355,1049 18.813,1050 -5.325,1051 11.185,1052 14.233,1053 4.33,1054 22.581,1055 11.158,1056 2.214,1057 7.97,1058 20.6,1059 3.989,1060 12.161,1061 15.42,1063 24.742,1064 12.131,1065 1.593,1066 6.03,1067 22.393,1068 3.547,1069 13.26,1070 16.897,1071 5.047,1072 26.985,1073 13.23,1074 1.25,1075 4,1076 24.19,1077 2.954,1078 14.281,1079 18.158,1081 29.18,1082 14.25,1083 1,1084 2.819,1085 25.991,1086 2.264,1087 15.361,1088 19.591,1089 5.769,1090 31.412,1091 15.33,1092 1,1093 2.438,1094 27.794,1095 1.822,1096 16.406,1097 20.898,1099 33.624,1100 16.373,1101 1883,1102 3462,1103 11.038,1104 18.722,1105 25.756,1106 26.21,1107 26.123,1108 25.337,1109 25.288,1110 35.099,1111 2.873,1112 69.868,1113 25.127,1114 4.981,1115 5.579,1116 5.78,1117 4.951,1118 4.951,1119 6.989,1120 2.873,1121 15.721,1122 4.947,1123 7.977,1124 1.515,1125 1.542,1126 1.537,1127 1.49,1128 1.488,1129 2.065,1130 0.169,1131 4.11,1132 1.478,1133 4.012,1134 4.034,1135 3.963,1136 3.963,1137 7.475,1138 3.96,1139 3.778,1140 3.806,1141 3.715,1142 3.701,1143 6.351,1144 3.7,1145 3.28,1146 3.272,1147 3.231,1148 3.043,1149 5.114,1150 3.081,1151 3.049,1152 3.144,1153 2.911,1154 2.864,1155 4.719,1156 2.865,1157 2.921,1158 2.98,1159 2.784,1160 2.794,1161 4.425,1162 2.786,1163 2.64,1164 2.699,1165 2.488,1166 2.432,1167 3.724,1168 2.435,1169 2.507,1170 2.591,1171 2.322,1172 2.29,1173 3.57,1174 2.306,1175 2.369,1176 2.499,1177 2.063,1178 1.989,1179 3.384,1180 1.987,1181 0.255,1182 0.211,1183 0.366,1184 0.232,1185 0.174,1186 4.327,1187 0.235,1188 3.579,1189 0.085,1190 6.225,1191 0.55,1192 3.951,1193 0.173,1194 2.951,1195 3.989,1196 1.437,1197 9.355,1198 2.947,1199 1.993,1200 1.974,1201 2.083,1202 2.061,1203 1.194,1204 2.069,1205 1.769,1206 1.742,1207 1.891,1208 1.875,1209 0.948,1210 1.88,1211 1.131,1212 1.129,1213 1.287,1214 1.425,1215 0.292,1216 1.362,1217 1.005,1218 0.938,1219 1.248,1220 1.302,1221 0.227,1222 1.302,1223 0.94,1224 0.877,1225 1.187,1226 1.09,1227 0.186,1228 1.126,1229 0.601,1230 0.542,1231 0.931,1232 0.875,1234 0.896,1235 0.479,1236 0.422,1237 0.836,1238 0.776,1240 0.814,1241 0.36,1242 0.201,1243 0.812,1244 0.697,1246 0.75,1247 3.555,1249 4.844,1251 6.333,1253 7.908,1255 9.525,1261 5.677,1262 8.886,1272 18.085,1273 40.222,1274 73.627,1275 93.627,1276 117.627,1277 124.382,1278 126.382,1279 23.906,1280 5.844,1281 63.32,1282 63.32,1283 12,1284 11.711,1285 3.807,1286 3,1287 25.88,1288 39,1289 32,1290 0.337,1291 114.979,1292 197.04,1293 272.309,1294 1991,1296 11.544,1297 0.721,1298 0.534,1299 11.544,1300 8.552,1301 7.665,1302 0.451,1303 0.286,1304 4.82,1305 7.486,1306 4.706,1307 3.936,1308 7.665,1309 4.859,1310 6.963,1311 0.303,1312 0.153,1313 6.963,1314 3.511,1315 5.342,1316 0.191,1317 0.083,1318 5.342,1319 2.329,1320 4.21,1321 0.124,1322 0.046,1323 4.21,1324 1.55,1325 3.413,1326 0.081,1327 0.025,1328 3.413,1329 1.035,1330 0.504,1331 47.432,1332 0.301,1333 15.982,1334 0.988,1335 80,1336 243.197,1337 85.455,1338 241.744,1339 320.5,1340 222,1341 91,1342 227.512,1343 95.155,1344 235.116,1345 336.59,1346 220,1347 3.89}
{0 CHEMBL189647,1 1.46,2 8.412,3 2.059,4 4.238,5 66.426,6 7.576,7 0.667,8 3.486,9 3.594,10 3.044,11 3.091,12 4.722,13 3.064,14 3.918,15 4.053,16 3.353,17 3.45,18 5.233,19 3.393,20 4.162,21 4.344,22 3.382,23 3.561,24 5.313,25 3.475,26 4.204,27 4.408,28 3.187,29 3.445,30 5.388,31 3.334,32 4.104,33 4.368,34 2.869,35 3.237,36 5.095,37 3.087,38 3.719,39 3.983,40 2.664,41 2.946,42 4.609,43 2.812,44 3.444,45 3.621,46 2.705,47 2.732,48 4.74,49 2.681,50 3.542,51 3.74,52 2.527,53 2.576,54 4.932,55 2.525,56 0.041,57 0.385,58 5.748,59 2.735,60 11.842,61 3.334,62 0.136,63 0.584,64 9.356,65 4.458,66 32.631,67 5.705,68 0.055,69 0.727,70 12.916,71 5.907,72 18.924,73 7.748,74 0.133,75 0.742,76 14.44,77 5.833,78 33.839,79 7.587,80 0.167,81 0.656,82 14.422,83 5.422,84 38.488,85 7.44,86 0.054,87 0.45,88 9.422,89 3.875,90 15.327,91 5.468,92 0.019,93 0.344,94 6.336,95 2.632,96 8.936,97 3.393,98 0.116,99 0.364,100 7.845,101 2.545,102 28.06,103 3.075,104 14,105 24,106 0.278,107 0.575,108 0.633,109 0.735,110 0.808,111 0.808,112 2.907,113 0.889,114 -3.91,115 -3.86,116 -3.67,118 46.7,124 1,137 8,138 4,150 1,154 1,155 1,156 1,158 1,161 1,162 13,163 1,166 1,169 1,171 2,174 16,175 2,176 1,179 2,184 4,187 14,188 2,190 2,192 2,197 4,200 10,201 1,202 2,204 1,209 2,212 8,213 1,214 1,217 1,222 2,225 4,226 2,228 1,231 2,236 4,239 1,240 2,242 2,245 2,250 4,254 1,256 2,259 1,264 2,270 1,272 307,273 11.439,274 11.439,275 11.439,276 11.439,277 11.439,278 9.91,279 7.497,280 6.717,281 11.454,282 8.782,283 8.782,284 8.782,285 8.782,286 8.782,287 6.467,288 8.874,289 3.07,290 8.809,291 3.447,292 1.892,293 1.584,294 1.05,295 0.667,296 0.667,297 3.561,300 1,301 1,302 293,303 2.449,307 112.171,314 1.426,315 16.091,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 36.5,327 143,328 4.29,329 3.576,330 6.161,331 3.912,332 2.912,333 3.947,334 1.437,335 9.106,336 2.911,337 4.04,338 2.899,339 5.889,340 3.67,341 2.669,342 3.57,343 0.522,344 8.074,345 2.663,346 3.723,347 2.617,348 5.296,349 3.373,350 2.376,351 3.114,353 6.765,354 2.366,355 3.099,356 2.057,357 4.41,358 2.634,359 1.633,360 2.304,362 4.303,363 1.626,364 2.638,365 1.455,366 3.727,367 2.129,368 1.125,369 1.614,371 2.745,372 1.115,373 2.5,374 1,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 2.5,383 1,384 3.414,385 2,386 1,387 1.5,389 2.275,390 1,391 1.665,392 0.774,393 2.792,394 1.45,395 0.498,396 0.562,398 0.77,399 0.472,400 1.039,401 0.447,402 2.331,403 0.672,404 -0.318,405 -0.403,407 -0.651,408 -0.313,409 0.673,410 -0.205,411 2,412 0.25,413 -0.746,414 -0.964,416 -1.6,417 -0.731,418 0.5,419 -0.592,420 2,422 -1,423 -1.376,425 -2,426 -0.974,427 0.5,428 -1,429 1.789,431 -1,432 -1.5,434 -3,435 -1,436 0.419,437 -1,438 1.178,439 -0.013,440 -1,441 -1.5,443 -3,444 -1,445 -0.406,446 -1.247,447 1,448 -0.543,449 -1.528,450 -1.765,452 -4.016,453 -1.513,454 -0.5,455 -1.552,456 0.978,457 -0.712,458 -1.702,459 -2.141,461 -5.275,462 -1.702,463 8.067,464 0.475,465 0.383,466 0.023,467 23.25,468 1.368,469 13.5,470 0.794,471 9.75,472 0.574,473 9.453,474 0.556,475 17.733,476 0.591,477 15.246,478 0.897,479 4.918,480 0.289,481 3.285,482 0.193,483 0.132,485 0.31,490 0.853,491 0.836,492 0.83,493 0.813,494 0.851,495 0.806,496 0.424,497 0.935,498 0.846,499 0.976,500 0.443,501 0.974,502 0.585,503 1.103,504 0.9,505 1.121,506 0.573,507 1.076,508 0.994,509 1.16,510 1.169,511 1.191,512 0.978,513 1.206,514 0.847,515 0.84,516 0.974,517 0.887,518 0.882,519 0.94,520 0.362,521 0.905,522 0.709,523 0.927,524 0.39,525 0.887,526 0.904,527 1.387,528 0.895,529 1.292,530 0.824,531 1.128,532 1.943,533 1.262,534 1.335,535 1.171,536 1.879,537 1.151,538 3.5,539 0.033,540 2.222,541 0.75,542 0.564,543 0.549,544 0.323,545 0.125,546 0.103,547 0.087,548 2326,549 7245,550 1.994,551 43.3,553 10,556 3,561 1.564,562 1.855,563 3.064,564 1.136,566 1,567 1,568 1,570 43.798,571 1.46,572 3.015,573 3.323,574 3.857,575 4.24,576 4.24,577 2.514,578 3.337,579 4.053,580 3.167,581 430.731,582 6.829,583 3892.55,585 1,587 1,588 147.207,589 1.447,590 4.01,591 0.194,592 0.011,593 0.093,594 0.031,595 0.031,596 0.042,597 0.029,598 0.011,599 0.013,600 0.022,601 0.478,602 0.83,603 1,604 1.045,605 71.105,606 -0.133,607 0.245,608 -0.031,609 0.176,610 -0.169,611 0.111,612 0.205,613 0.092,614 -0.025,615 0.024,616 0.189,617 -0.022,618 0.016,619 -0.14,620 -0.024,621 -0.119,622 0.054,623 -0.087,624 -0.108,625 -0.2,626 -0.227,627 -0.225,628 -0.091,629 -0.242,630 -0.054,631 0.084,632 0.034,633 0.09,634 -0.091,635 0.08,636 0.129,637 0.007,638 0.259,639 0.077,640 0.104,641 0.17,642 0.046,643 -0.417,644 0.04,645 -0.331,646 0.132,647 -0.18,648 -0.279,649 -0.279,650 -0.271,651 -0.274,652 -0.22,653 -0.271,654 2.574,655 3.718,656 0.706,657 12.547,658 1.002,659 1.114,660 2.678,661 7.172,662 0.683,663 2.944,664 3.219,665 3.434,666 3.555,667 3.761,668 3.807,669 3.85,670 3.611,671 3.611,672 3.714,673 4.893,674 0.654,675 227.28,676 2.944,677 4.443,678 5.263,679 6.103,680 6.94,681 7.785,682 8.629,683 9.476,684 10.322,685 11.171,686 3.3,687 1,701 8,706 4,708 12,716 1,724 30,726 13,727 2,728 18,730 31,731 14,732 12,733 4,734 8,735 1,737 2,738 2,743 1,751 13,752 1,754 1,758 1,761 1,764 1,767 13,768 3,769 3,770 3,773 1,777 1,778 2,789 2,804 1,808 1,810 2,819 17,820 1,826 1,827 1,839 6.7,841 1,842 1,846 9.167,847 5.117,848 3.889,849 1.619,850 2.361,851 1.395,852 0.954,853 3.331,854 8.333,855 3.258,856 3.829,857 4.388,858 4.896,859 5.455,860 5.674,861 6.067,862 6.188,863 6.512,864 6.876,865 0.833,866 24,867 6.229,869 2.585,870 0.006,871 8.02,872 11.633,874 9.231,876 2.52,877 42.833,878 0.001,881 117.711,882 91.568,883 32.897,885 67.828,888 91.568,889 185.539,890 32.897,892 35.003,893 75.81,894 68.738,895 12.742,897 117.711,899 117.711,900 124.465,901 67.828,904 117.711,905 67.828,908 35.003,909 89.462,912 117.711,913 100.725,914 91.568,917 117.711,918 15.758,919 75.81,921 100.725,922 117.711,923 100.725,924 91.568,926 0.573,927 0.334,928 0.156,929 0.083,930 11,931 5,932 0.097,933 3,935 1,936 2.957,937 110.993,939 12,940 61.487,944 11.522,945 4.914,946 2.588,948 100.725,949 14.738,954 3.431,956 75.581,957 310.004,958 25,962 10.718,965 -0.907,967 30.058,968 33.408,969 0.298,970 0.614,971 0.677,972 0.786,973 0.864,974 0.864,975 4.443,976 0.498,977 5.231,978 2.275,979 3.892,980 4.511,981 1.736,982 5.979,983 3.886,984 5.644,985 -0.318,986 6.763,987 0.77,988 3.434,989 4.205,991 6.81,992 3.426,993 6.934,994 -0.746,995 8.392,996 -0.651,997 5.434,998 6.671,999 2.269,1000 9.793,1001 5.426,1002 8.261,1003 -1,1004 10.076,1005 -1.6,1006 5.771,1007 7.142,1009 11.408,1010 5.761,1011 9.615,1012 -1,1013 11.794,1014 -2,1015 7.239,1016 9.082,1017 2.925,1018 13.888,1019 7.23,1020 10.988,1021 -1,1022 13.534,1023 -3,1024 7.933,1025 9.921,1027 15.818,1028 7.921,1029 12.374,1030 -1.528,1031 15.289,1032 -3,1033 9.171,1034 11.609,1035 3.619,1036 18.117,1037 9.16,1038 2.912,1039 -1.702,1040 17.054,1041 -4.016,1042 10.038,1043 12.652,1045 20.185,1046 10.025,1047 2.669,1048 9.106,1049 18.827,1050 -5.275,1051 11.171,1052 14.203,1053 4.33,1054 22.415,1055 11.159,1056 2.376,1057 8.074,1058 20.606,1059 3.947,1060 12.125,1061 15.368,1063 24.548,1064 12.112,1065 1.633,1066 6.765,1067 22.388,1068 3.57,1069 13.211,1070 16.84,1071 5.047,1072 26.752,1073 13.198,1074 1.125,1075 4.303,1076 24.175,1077 3.114,1078 14.211,1079 18.08,1081 28.917,1082 14.197,1083 1,1084 2.745,1085 25.964,1086 2.304,1087 15.276,1088 19.505,1089 5.769,1090 31.113,1091 15.262,1092 1,1093 2.275,1094 27.756,1095 1.614,1096 16.301,1097 20.792,1099 33.293,1100 16.286,1101 2406,1102 4317,1103 11.731,1104 20.483,1105 26.687,1106 27.312,1107 27.54,1108 26.425,1109 26.426,1110 36.222,1111 3.916,1112 72.626,1113 26.305,1114 4.952,1115 5.576,1116 5.712,1117 4.912,1118 4.912,1119 6.947,1120 2.873,1121 15.228,1122 4.911,1123 8.708,1124 1.483,1125 1.517,1126 1.53,1127 1.468,1128 1.468,1129 2.012,1130 0.218,1131 4.035,1132 1.461,1133 4.017,1134 4.039,1135 3.965,1136 3.971,1137 7.475,1138 3.966,1139 3.8,1140 3.827,1141 3.736,1142 3.729,1143 6.351,1144 3.726,1145 3.354,1146 3.414,1147 3.276,1148 3.161,1149 5.033,1150 3.176,1151 3.18,1152 3.206,1153 3.044,1154 2.895,1155 4.777,1156 2.927,1157 2.854,1158 2.925,1159 2.687,1160 2.735,1161 4.523,1162 2.715,1163 2.854,1164 2.925,1165 2.687,1166 2.735,1167 3.674,1168 2.715,1169 2.689,1170 2.752,1171 2.554,1172 2.437,1173 3.674,1174 2.463,1175 2.363,1176 2.459,1177 2.171,1178 2.113,1179 3.629,1180 2.122,1181 0.238,1182 0.199,1183 0.342,1184 0.217,1185 0.162,1186 4.29,1187 0.219,1188 3.576,1189 0.08,1190 6.161,1191 0.506,1192 3.912,1193 0.162,1194 2.912,1195 3.947,1196 1.437,1197 9.106,1198 2.911,1199 2.001,1200 1.981,1201 2.095,1202 2.065,1203 1.222,1204 2.076,1205 1.795,1206 1.769,1207 1.918,1208 1.897,1209 1.023,1210 1.904,1211 1.289,1212 1.236,1213 1.541,1214 1.553,1215 0.619,1216 1.553,1217 1.043,1218 1.013,1219 1.189,1220 1.374,1221 0.218,1222 1.309,1223 0.886,1224 0.821,1225 1.181,1226 1.062,1227 0.218,1228 1.107,1229 0.886,1230 0.821,1231 1.181,1232 1.062,1233 0.183,1234 1.107,1235 0.619,1236 0.561,1237 0.914,1238 0.905,1240 0.919,1241 0.328,1242 0.246,1243 0.755,1244 0.676,1246 0.714,1247 3.611,1249 4.89,1251 6.378,1253 7.948,1255 9.555,1261 5.526,1262 8.801,1263 0.526,1272 19.612,1273 43.798,1274 90.452,1275 99.697,1276 115.697,1277 127.207,1278 127.207,1279 25.844,1280 5.971,1281 63.32,1282 63.32,1283 12,1284 11.73,1285 3.807,1286 3,1287 28.633,1288 49,1289 50,1290 0.297,1291 124.571,1292 214.34,1293 295.714,1294 2364,1296 12.251,1297 0.721,1298 0.545,1299 12.251,1300 9.259,1301 8.203,1302 0.456,1303 0.296,1304 5.289,1305 8.017,1306 5.164,1307 4.311,1308 8.203,1309 5.332,1310 7.108,1311 0.296,1312 0.158,1313 7.108,1314 3.784,1315 5.895,1316 0.196,1317 0.088,1318 5.895,1319 2.655,1320 4.351,1321 0.128,1322 0.048,1323 4.351,1324 1.639,1325 3.32,1326 0.079,1327 0.026,1328 3.32,1329 1.089,1330 0.461,1331 50.725,1332 0.292,1333 17.318,1334 0.819,1335 84,1336 247.197,1337 89.122,1338 244.716,1339 325.46,1340 226,1341 96,1342 229.089,1343 99.988,1344 236.4,1345 340.28,1346 222,1347 3}
{0 CHEMBL189951,1 1.681,2 9.476,3 1.668,4 2.783,5 77.784,6 7.835,7 0.286,8 3.754,9 3.846,10 3.518,11 3.298,12 4.894,13 3.241,14 4.298,15 4.449,16 3.714,17 3.645,18 5.763,19 3.576,20 4.582,21 4.762,22 3.722,23 3.77,24 5.827,25 3.694,26 4.649,27 4.853,28 3.685,29 3.76,30 6.038,31 3.653,32 4.565,33 4.79,34 3.602,35 3.691,36 5.772,37 3.564,38 4.473,39 4.69,40 3.439,41 3.526,42 5.746,43 3.404,44 4.26,45 4.5,46 3.161,47 3.292,48 5.439,49 3.161,50 4.038,51 4.279,52 2.953,53 3.084,54 5.13,55 2.963,56 0.13,57 0.556,58 10.978,59 4.26,60 25.823,61 4.929,62 0.479,63 0.847,64 19.22,65 7.133,66 88.783,67 8.684,68 0.547,69 1.012,70 23.182,71 8.055,72 107.756,73 10.132,74 0.761,75 1.032,76 26.598,77 8.732,78 153.947,79 11.078,80 0.466,81 0.973,82 26.528,83 8.68,84 78.798,85 10.934,86 0.536,87 0.835,88 24.13,89 7.489,90 92.924,91 9.214,92 0.407,93 0.662,94 19.969,95 6.143,96 77.016,97 7.818,98 0.32,99 0.538,100 14.363,101 4.563,102 68.396,103 6.078,104 78,105 30,106 0.303,107 0.634,108 0.777,109 0.822,110 0.84,111 0.84,112 3.101,113 1.189,114 -2.49,115 -2.52,116 -2.46,118 35,119 2,120 1,121 2,123 1,137 4,138 2,150 2,158 1,161 1,162 11,163 1,165 1,166 2,169 4,171 2,174 13,175 2,179 4,184 4,187 12,188 1,191 2,192 5,197 3,200 8,201 2,204 8,209 4,212 5,213 2,217 7,222 3,225 3,226 1,231 6,236 2,239 2,240 1,245 4,250 2,253 1,254 1,259 4,260 1,264 2,265 1,272 570,273 12.723,274 12.723,275 12.723,276 12.723,277 12.723,278 11.335,279 14.699,280 7.26,281 12.812,282 10.297,283 10.297,284 10.297,285 10.297,286 10.297,287 8.074,288 14.095,289 3.428,290 10.443,291 3.641,292 1.803,293 1.007,294 0.757,295 0.657,296 0.657,297 3.726,299 1,300 1,301 1,302 383,303 4.583,307 80.519,314 1.787,315 38.9,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 47.5,327 199,328 4.646,329 4.326,330 6.519,331 4.117,332 3.164,333 4.437,334 2.341,335 10.301,336 3.031,337 4.188,338 3.725,339 6.233,340 3.867,341 2.88,342 3.719,343 1.969,344 9.176,345 2.807,346 3.908,347 3.717,348 5.814,349 3.707,350 2.706,351 3.141,352 0.219,353 7.881,354 2.692,355 3.677,356 2.836,357 5.277,358 3.322,359 2.318,360 2.915,362 6.493,363 2.316,364 3.263,365 2.556,366 4.923,367 2.853,368 1.84,369 2.463,371 5.37,372 1.851,373 2.5,374 1.766,375 3.649,376 2.085,377 1.075,378 1.5,380 2.479,381 1.067,382 2.383,383 1.243,384 3.45,385 2,386 1,387 1.275,389 2.275,390 1,391 2.01,392 1,393 3.414,394 1.747,395 0.74,396 0.867,398 1.818,399 0.739,400 1.089,401 0.914,402 2.785,403 0.86,404 -0.14,405 -0.16,407 -0.336,408 -0.139,409 1,410 0.458,411 2.359,412 0.579,413 -0.46,414 -0.577,416 -1.236,417 -0.466,418 1,419 0.228,420 2,421 0.15,422 -0.85,423 -0.98,425 -2,426 -0.789,427 0.5,428 0.076,429 2,431 -1,432 -1.238,434 -2.037,435 -0.85,436 0.463,437 -0.699,438 2,440 -1,441 -1.274,443 -3,444 -0.961,445 0.353,446 -0.871,447 1.897,449 -1,450 -1.5,452 -3,453 -1,454 0.283,455 -0.97,456 1.489,457 -0.202,458 -1,459 -1.557,461 -3,462 -1,463 9.9,464 0.471,465 0.902,466 0.043,467 24,468 1.143,469 12,470 0.571,471 12,472 0.571,473 17.818,474 0.848,475 24.9,476 0.623,477 18.796,478 0.895,479 4.497,480 0.214,481 5.101,482 0.243,483 0.32,484 0.084,485 0.303,490 0.585,491 1.365,492 0.875,493 1.359,494 0.695,495 1.076,496 0.378,497 1.149,498 1.002,499 1.215,500 0.433,501 1.045,502 1.098,503 1.054,504 0.903,505 0.95,506 1.11,507 1.099,508 0.959,509 0.961,510 0.926,511 0.895,512 0.901,513 1.036,514 0.82,515 1.076,516 0.983,517 1.072,518 0.788,519 1.029,520 1.136,521 1.008,522 1.061,523 1.007,524 1.095,525 1.049,526 0.955,527 0.971,528 0.951,529 0.972,530 0.946,531 0.966,532 0.932,533 0.929,534 0.78,535 0.818,536 0.971,537 0.961,538 7,539 0.099,540 2.889,541 1.625,542 1.222,543 0.743,544 0.507,545 0.262,546 0.259,547 0.12,548 3791,549 15346,550 1.782,551 47.5,552 8,553 7,556 2,557 2,561 1.628,562 1.585,563 3.216,564 0.425,565 1,566 1,568 1,570 67.254,571 1.681,572 3.519,573 4.315,574 4.565,575 4.665,576 4.665,577 2.743,578 3.654,579 4.361,580 3.43,581 720.298,582 7.453,583 7914.73,584 1,585 1,587 1,588 212.877,589 1.772,590 4.237,591 0.333,592 0.011,593 0.096,594 0.058,595 0.047,596 0.031,597 0.027,598 0.017,599 0.022,600 0.01,601 0.652,602 0.33,603 1,604 1.918,605 96.488,606 0.028,607 -0.054,608 0.201,609 -0.035,610 -0.123,611 0.032,612 0.344,613 0.006,614 -0.009,615 -0.075,616 0.282,617 0.005,618 -0.187,619 -0.035,620 -0.125,621 -0.056,622 -0.187,623 -0.132,624 -0.02,625 0.005,626 -0.069,627 0.01,628 0.02,629 -0.069,630 -0.049,631 -0.095,632 -0.011,633 -0.066,634 -0.014,635 -0.015,636 -0.165,637 -0.066,638 -0.09,639 -0.047,640 -0.118,641 -0.075,642 -0.078,643 -0.068,644 0.005,645 -0.026,646 -0.06,647 0.027,648 -0.091,649 -0.017,650 0.033,651 0.021,652 -0.118,653 0.006,654 4.491,655 4.743,656 0.286,657 18.816,658 1.019,659 1.13,660 1.261,661 1.589,662 0.644,663 3.091,664 3.434,665 3.466,666 3.555,667 3.664,668 3.611,669 3.664,670 3.664,671 3.611,672 3.219,673 5.896,674 0.613,675 313.41,676 3.091,677 4.635,678 5.416,679 6.282,680 7.086,681 7.949,682 8.763,683 9.624,684 10.444,685 11.304,686 2.5,693 1,701 4,706 2,708 6,724 40,726 10,727 1,728 21,730 40,731 14,732 6,733 2,734 4,737 1,738 1,743 2,749 1,751 8,752 6,753 2,754 4,756 1,758 4,761 2,763 1,764 1,767 19,768 6,769 2,770 7,771 1,773 1,777 1,778 5,789 1,800 1,808 1,810 1,813 1,815 3,819 21,823 1,826 1,827 1,828 1,831 2,839 12.5,841 1,842 4,846 13.25,847 7.783,848 4.542,849 2.224,850 1.424,851 1.24,852 0.88,853 5.789,854 7.353,855 3.367,856 3.942,857 4.115,858 4.537,859 4.93,860 5.002,861 5.268,862 5.418,863 5.455,864 5.22,865 1,866 28,867 7.989,869 3.564,870 0.006,871 8.464,872 14.194,874 11.348,876 2.964,877 62.25,881 200.109,882 83.073,883 16.405,885 137.286,887 5.807,888 77.266,889 337.395,890 16.405,891 24.841,892 18.94,893 43.712,894 142.901,895 6.371,897 200.109,899 200.109,900 93.671,901 137.286,902 5.807,904 200.109,905 137.286,908 36.59,909 57.081,910 5.807,912 200.109,913 153.691,914 83.073,916 5.807,917 200.109,918 14.52,919 62.746,920 16.405,921 137.286,922 200.109,923 153.691,924 83.073,926 0.6,927 0.302,928 0.13,929 0.069,930 12,931 8,932 0.15,933 6,935 1,936 3.139,937 142.052,939 6,940 86.239,943 1,944 17.506,945 6.944,946 5.759,948 153.691,949 6.908,954 1.521,956 59.088,957 436.873,958 28,960 -3.575,962 44.593,965 -1.455,967 40.767,968 45.202,969 0.316,970 0.661,971 0.811,972 0.858,973 0.877,974 0.877,975 4.62,976 0.74,977 5.493,978 2.275,979 4.111,980 4.625,981 2.786,982 6.301,983 4.082,984 5.881,985 -0.14,986 7.081,987 1.818,988 4.111,989 4.913,990 2.591,991 7.476,992 4.022,993 7.242,994 -0.46,995 8.771,996 -0.336,997 5.796,998 6.885,999 4.061,1000 10.332,1001 5.718,1002 8.634,1003 -0.85,1004 10.513,1005 -1.236,1006 6.463,1007 7.866,1008 4.416,1009 12.174,1010 6.319,1011 10.052,1012 -1,1013 12.285,1014 -2,1015 7.769,1016 9.489,1017 5.527,1018 14.664,1019 7.621,1020 11.487,1021 -1,1022 14.075,1023 -2.037,1024 8.689,1025 10.738,1026 6.127,1027 16.761,1028 8.48,1029 12.937,1030 -1,1031 15.878,1032 -3,1033 9.869,1034 12.26,1035 7.085,1036 19.132,1037 9.641,1038 3.164,1039 -1,1040 17.691,1041 -3,1042 10.897,1043 13.626,1044 7.805,1045 21.342,1046 10.615,1047 2.88,1048 10.301,1049 19.51,1050 -3,1051 12.033,1052 15.117,1053 8.695,1054 23.672,1055 11.721,1056 2.706,1057 9.176,1058 21.336,1059 4.437,1060 13.11,1061 16.54,1062 9.476,1063 25.935,1064 12.748,1065 2.318,1066 7.881,1067 23.166,1068 3.719,1069 14.234,1070 18.022,1071 10.337,1072 28.252,1073 13.835,1074 1.84,1075 6.493,1076 25,1077 3.141,1078 15.336,1079 19.474,1080 11.149,1081 30.541,1082 14.889,1083 1.075,1084 5.37,1085 26.838,1086 2.915,1087 16.459,1088 20.954,1089 11.998,1090 32.856,1091 15.97,1092 1,1093 2.479,1094 28.679,1095 2.463,1096 17.574,1097 22.422,1098 12.826,1099 35.159,1100 17.038,1101 4139,1102 8432,1103 12.137,1104 25.779,1105 31.817,1106 34.113,1107 32.845,1108 31.548,1109 31.446,1110 40.633,1111 9.057,1112 91.584,1113 31.006,1114 5.517,1115 6.326,1116 5.933,1117 5.117,1118 5.164,1119 7.437,1120 3.925,1121 17.206,1122 5.031,1123 16.095,1124 1.515,1125 1.624,1126 1.564,1127 1.502,1128 1.497,1129 1.935,1130 0.431,1131 4.361,1132 1.476,1133 4.018,1134 4.026,1135 4.716,1136 3.961,1137 7.719,1138 3.924,1139 3.917,1140 3.894,1141 3.904,1142 3.877,1143 7.474,1144 3.76,1145 3.679,1146 3.708,1147 3.592,1148 3.539,1149 7.426,1150 3.535,1151 3.462,1152 3.497,1153 3.389,1154 3.306,1155 6.999,1156 3.303,1157 3.026,1158 3.045,1159 2.914,1160 2.747,1161 6.351,1162 2.764,1163 2.963,1164 3.04,1165 2.77,1166 2.735,1167 4.723,1168 2.715,1169 2.891,1170 2.992,1171 2.687,1172 2.645,1173 4.068,1174 2.665,1175 2.854,1176 2.925,1177 2.621,1178 2.632,1179 3.938,1180 2.641,1181 0.221,1182 0.206,1183 0.31,1184 0.196,1185 0.151,1186 4.646,1187 0.211,1188 4.326,1189 0.111,1190 6.519,1191 0.491,1192 4.117,1193 0.144,1194 3.164,1195 4.437,1196 2.341,1197 10.301,1198 3.031,1199 1.966,1200 1.942,1201 2.085,1202 2.052,1203 1.302,1204 2.068,1205 1.743,1206 1.769,1207 1.88,1208 1.902,1209 1.132,1210 1.95,1211 1.635,1212 1.607,1213 1.709,1214 1.8,1215 0.961,1216 1.827,1217 1.427,1218 1.384,1219 1.606,1220 1.614,1221 0.818,1222 1.643,1223 0.937,1224 0.854,1225 1.331,1226 1.269,1227 0.474,1228 1.256,1229 0.888,1230 0.821,1231 1.19,1232 1.24,1233 0.218,1234 1.244,1235 0.886,1236 0.813,1237 1.181,1238 1.165,1239 0.216,1240 1.177,1241 0.841,1242 0.804,1243 1.052,1244 1.062,1245 0.039,1246 1.107,1247 3.761,1249 5.094,1251 6.581,1253 8.13,1255 9.713,1257 4.155,1262 8.857,1263 0.402,1264 1.935,1267 -1.09,1272 24.524,1273 67.254,1274 140.771,1275 172.612,1276 182.612,1277 186.612,1278 186.612,1279 89.676,1280 5.93,1281 100.54,1282 108.92,1283 6,1284 11.863,1285 3.459,1286 3,1287 54.001,1288 74,1289 63,1290 0.369,1291 160.939,1292 287.76,1293 384.452,1294 2170,1296 16.207,1297 0.772,1298 0.618,1299 16.457,1300 12.976,1301 9.598,1302 0.457,1303 0.396,1304 6.511,1305 8.479,1306 6.059,1307 5.099,1308 10.525,1309 8.323,1310 9.839,1311 0.328,1312 0.23,1313 11.221,1314 6.894,1315 6.31,1316 0.204,1317 0.119,1318 6.777,1319 3.694,1320 4.364,1321 0.128,1322 0.069,1323 4.94,1324 2.348,1325 3.118,1326 0.082,1327 0.041,1328 3.445,1329 1.547,1330 0.582,1331 69.969,1332 0.287,1333 21.087,1334 0.996,1335 102,1336 386.285,1337 144.87,1338 385.537,1339 483.68,1340 346,1341 112,1342 300.378,1343 160.59,1344 335.227,1345 468.35,1346 308,1347 3.59}
{0 CHEMBL190243,1 1.916,2 11.885,3 3.83,4 14.667,5 90.434,6 8.393,7 0.222,8 3.953,9 4.051,10 3.746,11 3.425,12 5.049,13 3.413,14 4.581,15 4.739,16 4.176,17 3.777,18 6.254,19 3.774,20 4.822,21 5.027,22 4.084,23 3.883,24 6.536,25 3.825,26 4.733,27 4.964,28 3.803,29 3.849,30 5.856,31 3.743,32 4.758,33 5,34 3.806,35 3.762,36 6.019,37 3.691,38 4.668,39 4.921,40 3.68,41 3.588,42 5.951,43 3.552,44 4.449,45 4.666,46 3.59,47 3.501,48 5.699,49 3.439,50 4.381,51 4.572,52 3.6,53 3.544,54 5.514,55 3.463,56 0.237,57 0.864,58 11.393,59 5.019,60 49.398,61 5.417,62 1.269,63 1.694,64 24.674,65 7.966,66 216.382,67 9.148,68 1.805,69 1.241,70 30.121,71 9.399,72 283.614,73 12.347,74 0.849,75 1.193,76 29.397,77 9.568,78 115.105,79 12.573,80 0.984,81 1.268,82 30.89,83 8.947,84 126.96,85 11.897,86 1.094,87 1.215,88 28.154,89 7.704,90 154.073,91 9.707,92 0.958,93 0.986,94 22.996,95 6.922,96 138.083,97 7.986,98 0.603,99 0.914,100 22.042,101 6.867,102 103.874,103 8.449,104 53,105 39,106 0.333,107 0.607,108 0.745,109 0.804,110 0.804,111 0.804,112 3.303,113 1.068,114 -2.91,115 -2.91,116 -2.82,118 34,119 1,120 2,121 1,124 4,131 1,137 4,138 1,139 1,150 1,162 7,165 3,166 5,169 1,171 1,174 7,179 4,182 1,184 2,187 6,192 7,197 2,200 2,203 1,204 8,209 4,217 5,230 1,231 6,234 1,239 2,245 4,253 4,258 2,262 2,267 4,272 1074,273 16.355,274 16.355,275 16.355,276 16.355,277 16.355,278 15.225,279 21.423,280 9.44,281 17.022,282 13.266,283 13.266,284 13.266,285 13.266,286 13.266,287 11.379,288 23.8,289 4.455,290 14.433,291 3.638,292 2.059,293 1.266,294 0.926,295 0.926,296 0.926,297 3.955,300 1,301 1,302 629,303 4.848,306 93.876,307 101.823,314 2.201,315 54.137,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 61.5,327 309,328 4.999,329 5.697,330 8.104,331 4.514,332 3.69,333 4.697,334 6.006,335 14.438,336 3.086,337 4.199,338 3.799,339 6.332,340 3.944,341 2.942,342 3.706,343 1.987,344 9.39,345 2.941,346 3.794,347 3.766,348 5.571,349 3.475,350 2.546,351 3.1,352 1.914,353 7.4,354 2.37,355 3.541,356 2.853,357 5.354,358 3.411,359 2.473,360 2.575,361 0.8,362 6.999,363 2.321,364 3.384,365 2.789,366 5.137,367 3.002,368 2.076,369 2.51,370 0.324,371 6.105,372 1.911,373 3.235,374 2.435,375 4.902,376 2.77,377 1.852,378 2.343,380 5.446,381 1.601,382 2.5,383 1.643,384 3.758,385 2.394,386 1.414,387 1.5,389 3.068,390 1.381,391 2.454,392 1.407,393 3.476,394 2,395 1.017,396 1.45,398 2.349,399 1,400 2.103,401 1.201,402 3.414,403 1.977,404 1,405 1.066,407 2.275,408 0.973,409 1.86,410 1.124,411 3.322,412 1.615,413 0.618,414 0.697,416 1.372,417 0.605,418 1.618,419 1,420 3,421 1.591,422 0.606,423 0.618,425 1.362,426 0.6,427 1.236,428 0.744,429 2.958,430 0.888,431 -0.053,432 -0.063,434 -0.14,435 -0.049,436 1,437 0.51,438 2.735,439 0.683,440 -0.303,441 -0.336,443 -0.682,444 -0.295,445 0.892,446 0.51,447 2.353,448 0.163,449 -0.834,450 -1,452 -2.28,453 -0.7,454 0.53,455 0.285,456 2,458 -1,459 -1,461 -2.657,462 -0.7,463 11.824,464 0.455,465 0.987,466 0.038,467 27.75,468 1.067,469 11,470 0.423,471 16.75,472 0.644,473 23.275,474 0.895,475 31.976,476 0.68,477 24.468,478 0.941,479 5.334,480 0.205,481 6.765,482 0.26,483 0.199,484 0.113,485 0.203,489 3,490 0.552,491 1.205,492 0.746,493 1.464,494 0.607,495 1.125,496 0.408,497 0.859,498 0.642,499 1.109,500 0.414,501 1.021,502 0.385,503 0.672,504 0.668,505 0.81,506 0.316,507 0.989,508 0.567,509 0.749,510 0.833,511 1.028,512 0.527,513 1.069,514 0.703,515 0.867,516 0.791,517 0.957,518 0.707,519 0.971,520 1.065,521 0.964,522 0.782,523 0.752,524 1.005,525 0.841,526 1.054,527 0.881,528 1.006,529 0.848,530 1.02,531 0.934,532 0.703,533 0.907,534 1.085,535 1.33,536 0.758,537 1.211,538 7.5,539 0.114,540 4.222,541 1.722,542 1.347,543 0.795,544 0.554,545 0.47,546 0.329,547 0.165,548 8156,549 30768,550 1.892,551 44.7,552 3,553 12,556 1,557 1,558 4,561 1.684,562 1.714,563 3.507,564 -0.18,566 1,570 90.072,571 1.916,572 3.496,573 4.288,574 4.629,575 4.629,576 4.629,577 2.884,578 4.027,579 4.67,580 3.749,581 1218.54,582 8.059,583 16166.5,585 1,587 1,588 261.066,589 1.767,590 4.574,591 0.278,592 0.007,593 0.108,594 0.047,595 0.045,596 0.027,597 0.021,598 0.02,599 0.014,600 0.007,601 0.574,602 0.33,603 1,604 1.233,605 130.458,606 0.018,607 -0.138,608 0.189,609 -0.144,610 -0.082,611 -0.018,612 0.433,613 0.168,614 0.249,615 -0.071,616 0.361,617 -0.031,618 0.439,619 0.148,620 0.145,621 0.059,622 0.447,623 -0.015,624 0.006,625 -0.094,626 0.039,627 -0.067,628 0.03,629 -0.017,630 -0.01,631 -0.167,632 0.081,633 -0.073,634 0.014,635 0.036,636 -0.143,637 -0.083,638 0.067,639 0.056,640 -0.096,641 0.119,642 -0.114,643 0.044,644 -0.055,645 0.113,646 -0.124,647 0.05,648 -0.05,649 -0.152,650 -0.09,651 -0.218,652 -0.067,653 -0.149,654 6.742,655 5.157,656 0.423,657 28.485,658 1.039,659 1.156,660 1.679,661 2.818,662 0.631,663 3.332,664 3.689,665 3.829,666 3.829,667 3.892,668 3.892,669 4.007,670 4.111,671 4.043,672 3.761,673 7.27,674 0.618,675 394.46,676 3.332,677 4.89,678 5.707,679 6.572,680 7.413,681 8.273,682 9.122,683 9.982,684 10.836,685 11.696,686 4.3,689 1,693 1,701 4,706 2,708 6,724 47,726 9,727 1,728 27,730 48,731 16,732 6,733 2,734 4,737 2,738 2,743 1,746 2,749 2,751 7,752 9,753 1,754 3,756 1,758 3,761 1,764 1,765 3,767 21,768 9,769 1,770 10,771 1,773 2,777 1,778 4,785 1,788 1,789 1,798 1,806 1,810 2,813 1,815 1,817 3,819 26,825 1,827 6,828 1,829 1,831 1,832 1,833 1,838 3,839 8.5,842 3,844 1,846 15.167,847 8.379,848 5.576,849 2.859,850 1.28,851 1.195,852 0.934,853 6.809,854 7.844,855 3.526,856 4.069,857 4.373,858 4.629,859 5.042,860 5.142,861 5.495,862 5.727,863 5.556,864 5.117,865 0.875,866 37,867 19.581,869 3.767,870 0.006,871 8.596,872 17.632,874 14.487,876 3.096,877 80.5,880 1,881 235.422,882 87.23,883 21.135,885 78.003,886 44.88,887 7.75,888 79.48,889 313.425,890 66.015,891 8.825,892 31.503,893 45.655,894 74.163,895 64.979,897 235.422,898 6.125,899 235.422,900 100.615,901 122.884,902 7.75,904 188.338,905 125.088,906 44.88,907 6.125,908 43.452,909 51.039,910 7.75,912 280.302,913 99.138,914 87.23,916 7.75,917 241.547,918 26.626,919 49.855,920 18.011,921 122.884,922 235.422,923 144.019,924 87.23,926 0.603,927 0.338,928 0.134,929 0.061,930 17,931 9,932 0.146,933 7,935 1,936 3.738,937 197.561,939 11,940 107.457,943 1,944 20.852,945 8.49,946 5.775,948 144.019,949 4.914,954 0.077,956 18.011,957 466.671,958 33,960 -5.704,962 34.078,965 -0.208,967 48.847,968 54.341,969 0.345,970 0.629,971 0.772,972 0.833,973 0.833,974 0.833,975 4.808,976 1.017,977 5.784,978 3.068,979 4.369,980 4.754,981 4.269,982 6.663,983 4.218,984 6.048,985 1,986 7.424,987 2.349,988 4.369,989 4.997,990 4.991,991 8.136,992 4.016,993 7.415,994 0.618,995 9.202,996 2.275,997 6.138,998 6.999,999 7.416,1000 11.143,1001 5.777,1002 8.83,1003 0.606,1004 11.071,1005 1.372,1006 6.929,1007 8.038,1008 8.783,1009 13.438,1010 6.338,1011 10.286,1012 -0.053,1013 13.002,1014 1.362,1015 8.314,1016 9.689,1017 10.872,1018 16.175,1019 7.665,1020 11.772,1021 -0.303,1022 14.976,1023 -0.14,1024 9.411,1025 11.027,1026 12.463,1027 18.73,1028 8.537,1029 13.283,1030 -0.834,1031 16.982,1032 -0.682,1033 10.705,1034 12.592,1035 14.399,1036 21.413,1037 9.717,1038 3.69,1039 -1,1040 19.011,1041 -2.28,1042 11.921,1043 14.046,1044 16.093,1045 24.047,1046 10.721,1047 2.942,1048 14.438,1049 21.057,1050 -2.657,1051 13.203,1052 15.59,1053 17.956,1054 26.719,1055 11.85,1056 2.546,1057 9.39,1058 23.115,1059 4.697,1060 14.466,1061 17.093,1062 19.7,1063 29.376,1064 12.911,1065 2.473,1066 7.4,1067 25.183,1068 3.706,1069 15.753,1070 18.633,1071 21.527,1072 32.046,1073 14.024,1074 2.076,1075 6.999,1076 27.256,1077 3.1,1078 17.037,1079 20.158,1080 23.296,1081 34.712,1082 15.111,1083 1.852,1084 6.105,1085 29.335,1086 2.575,1087 18.329,1088 21.699,1089 25.105,1090 37.381,1091 16.22,1092 1.414,1093 5.446,1094 31.417,1095 2.51,1096 19.623,1097 23.234,1098 26.886,1099 40.05,1100 17.32,1101 8252,1102 16643,1103 16.583,1104 29.665,1105 40.514,1106 41.804,1107 41.323,1108 40.772,1109 40.466,1110 48.525,1111 22.062,1112 120.408,1113 37.576,1114 5.978,1115 7.697,1116 7.762,1117 5.577,1118 5.69,1119 7.697,1120 10.217,1121 22.666,1122 5.086,1123 17.289,1124 1.501,1125 1.548,1126 1.53,1127 1.51,1128 1.499,1129 1.797,1130 0.817,1131 4.46,1132 1.392,1133 4.03,1134 4.017,1135 4.738,1136 3.948,1137 8.518,1138 3.908,1139 3.884,1140 3.926,1141 3.874,1142 3.797,1143 7.999,1144 3.708,1145 3.841,1146 3.833,1147 3.725,1148 3.686,1149 7.999,1150 3.683,1151 3.59,1152 3.641,1153 3.503,1154 3.409,1155 7.707,1156 3.417,1157 3.351,1158 3.428,1159 3.171,1160 3.188,1161 7.428,1162 3.171,1163 2.971,1164 3.052,1165 3.074,1166 2.735,1167 6.999,1168 2.715,1169 2.933,1170 2.979,1171 2.794,1172 2.671,1173 4.793,1174 2.692,1175 2.869,1176 2.949,1177 2.687,1178 2.665,1179 4.365,1180 2.635,1181 0.185,1182 0.211,1183 0.3,1184 0.167,1185 0.137,1186 4.999,1187 0.174,1188 5.697,1189 0.222,1190 8.104,1191 0.535,1192 4.514,1193 0.114,1194 3.69,1195 4.697,1196 6.006,1197 14.438,1198 3.086,1199 1.932,1200 1.918,1201 2.04,1202 2.034,1203 1.222,1204 2.041,1205 1.655,1206 1.687,1207 1.865,1208 1.89,1209 1.211,1210 1.89,1211 1.591,1212 1.563,1213 1.86,1214 1.8,1215 1.154,1216 1.812,1217 1.577,1218 1.507,1219 1.716,1220 1.751,1221 0.864,1222 1.793,1223 1.452,1224 1.408,1225 1.545,1226 1.663,1227 0.804,1228 1.667,1229 1.219,1230 1.126,1231 1.181,1232 1.479,1233 0.618,1234 1.51,1235 0.886,1236 0.821,1237 1.173,1238 1.156,1239 0.242,1240 1.165,1241 0.835,1242 0.755,1243 1.096,1244 1.062,1245 0.218,1246 1.107,1247 4.007,1249 5.352,1250 2.398,1251 6.868,1252 4.443,1253 8.459,1254 6.26,1255 10.088,1257 1.66,1259 36.88,1263 5.71,1264 2.824,1265 4.024,1267 -0.526,1268 2.262,1269 -5.492,1272 29.034,1273 90.072,1274 164.311,1275 201.556,1276 217.556,1277 217.556,1278 217.556,1279 83.151,1280 6.564,1281 75.71,1282 84.09,1283 11,1284 12.248,1285 3.322,1286 2.807,1287 55.435,1288 113,1289 102,1290 0.237,1291 182.051,1292 333.06,1293 435.963,1294 5680,1295 6.4,1296 19.372,1297 0.745,1298 0.58,1299 17.122,1300 15.068,1301 12.099,1302 0.448,1303 0.356,1304 8.135,1305 10.636,1306 7.902,1307 6.504,1308 11.776,1309 9.616,1310 12.037,1311 0.309,1312 0.196,1313 11.846,1314 7.652,1315 9.108,1316 0.202,1317 0.115,1318 7.631,1319 5.168,1320 5.701,1321 0.127,1322 0.069,1323 6.074,1324 3.093,1325 3.919,1326 0.082,1327 0.036,1328 3.953,1329 1.728,1330 0.384,1331 86.268,1332 0.246,1333 25.772,1334 0.619,1335 132,1336 652.114,1337 209.82,1338 552.593,1339 696.96,1340 502,1341 150,1342 441.463,1343 224.073,1344 460.634,1345 694.05,1346 427,1347 3.59}
{0 CHEMBL190391,1 1.251,2 12.292,3 4.304,4 18.525,5 102.477,6 5.699,7 0.24,8 4.083,9 4.235,10 3.402,11 3.594,12 4.938,13 3.508,14 4.694,15 4.927,16 3.691,17 3.999,18 5.456,19 3.868,20 5.007,21 5.278,22 3.722,23 4.165,24 5.757,25 3.99,26 5.082,27 5.386,28 3.614,29 4.124,30 5.836,31 3.922,32 4.941,33 5.231,34 3.513,35 4.011,36 5.721,37 3.811,38 4.869,39 5.179,40 3.352,41 3.882,42 5.589,43 3.669,44 4.696,45 5.005,46 3.305,47 3.751,48 5.36,49 3.558,50 4.616,51 4.887,52 3.344,53 3.713,54 5.462,55 3.562,56 0.072,57 0.797,58 14.555,59 5.881,60 8.175,61 8.628,62 0.223,63 1.287,64 25.543,65 9.578,66 18.63,67 14.388,68 0.247,69 1.586,70 33.544,71 12.433,72 30.306,73 18.634,74 0.325,75 1.568,76 35.15,77 12.754,78 43.105,79 19.024,80 0.235,81 1.384,82 30.649,83 11.35,84 37.509,85 16.887,86 0.291,87 1.25,88 28.231,89 10.017,90 32.771,91 15.166,92 0.171,93 1.078,94 23.687,95 8.608,96 17.003,97 13.025,98 0.231,99 1.011,100 22.907,101 7.769,102 27.88,103 11.675,104 19,105 32,106 0.209,107 0.462,108 0.682,109 0.779,110 0.806,111 0.806,112 3.226,113 1.158,114 -4.76,115 -4.67,116 -4.39,118 36.2,119 3,120 5,121 2,124 4,137 4,138 2,150 1,162 14,166 4,169 1,171 2,174 16,179 3,184 2,187 13,192 3,195 1,197 2,200 13,204 2,209 2,212 10,216 1,217 2,222 3,225 6,231 3,236 2,239 5,245 5,250 1,253 5,259 5,264 2,267 6,272 918,273 15.966,274 15.966,275 15.966,276 15.966,277 15.966,278 15.137,279 21.428,280 9.821,281 16.121,282 12.334,283 12.334,284 12.334,285 12.334,286 12.334,287 11.011,288 24.252,289 4.691,290 12.557,291 4.607,292 3.097,293 1.781,294 1.203,295 1.039,296 1.039,297 3.891,300 1,301 1,302 607,303 3.937,307 191.484,314 2.149,315 14.905,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 50,327 295,328 4.207,329 3.768,330 6.331,331 3.949,332 2.945,333 3.722,334 1.987,335 9.39,336 2.954,337 3.835,338 2.868,339 5.451,340 3.562,341 2.562,342 3.13,343 0.8,344 7.255,345 2.562,346 3.522,347 2.83,348 5.34,349 3.45,350 2.52,351 2.578,352 0.324,353 6.965,354 2.342,355 3.379,356 2.608,357 5.029,358 3.11,359 2.11,360 2.515,362 5.729,363 2.104,364 2.979,365 1.924,366 4.407,367 2.818,368 1.824,369 2.009,371 4.499,372 1.81,373 2.628,374 1.754,375 3.795,376 2.587,377 1.593,378 1.627,380 3.352,381 1.58,382 2.5,383 1.493,384 3.61,385 2.28,386 1.306,387 1.5,389 2.855,390 1.268,391 2.343,392 1.246,393 3.414,394 2,395 1,396 1.339,398 2.275,399 1,400 2.009,401 1.077,402 3.265,403 1.984,404 1,405 1,407 2.136,408 0.983,409 2,410 1,411 3.247,412 1.794,413 0.797,414 0.89,416 1.869,417 0.79,418 1.441,419 0.776,420 2.702,421 1.262,422 0.269,423 0.296,425 0.584,426 0.265,427 1.131,428 0.201,429 2.454,430 0.916,431 -0.087,432 -0.099,434 -0.209,435 -0.087,436 0.624,437 -0.076,438 2.097,439 0.491,440 -0.497,441 -0.525,443 -1.088,444 -0.487,445 0.5,446 -0.57,447 2,448 0.165,449 -0.835,450 -0.978,452 -2,453 -0.835,454 0.406,455 -0.747,456 1.655,457 0.008,458 -1,459 -1,461 -2.043,462 -0.946,463 11.633,464 0.485,465 0.527,466 0.022,467 21.5,468 0.896,469 7.5,470 0.313,471 14,472 0.583,473 26.191,474 1.091,475 28.567,476 0.493,477 13.253,478 0.552,479 3.508,480 0.146,481 8.051,482 0.335,483 0.158,485 0.249,490 0.784,491 1.487,492 1.109,493 1.324,494 0.62,495 1.25,496 0.87,497 1.172,498 1.096,499 1.12,500 0.545,501 1.115,502 1.084,503 1.13,504 1.1,505 1.114,506 0.939,507 1.105,508 1.242,509 0.889,510 0.998,511 0.922,512 1.29,513 0.939,514 1.144,515 1.105,516 1.03,517 1.08,518 1.307,519 1.056,520 1.133,521 0.96,522 0.994,523 0.943,524 1.272,525 0.957,526 0.838,527 0.992,528 0.869,529 0.95,530 0.779,531 0.912,532 2.019,533 0.959,534 1.117,535 0.934,536 2.312,537 0.957,538 4.5,539 0.045,540 2.222,541 1.313,542 0.973,543 0.5,544 0.404,545 0.274,546 0.235,547 0.126,548 7025,549 11451,550 1.972,551 58.6,552 14,553 12,556 1,557 1,558 4,559 2,561 1.661,562 1.846,563 3.582,564 -0.424,566 1,570 72.55,571 1.251,572 2.761,573 4.077,574 4.655,575 4.819,576 4.819,577 3.115,578 3.918,579 4.553,580 3.772,581 1040.96,582 7.82,583 13254.1,585 1,587 1,588 339.763,589 1.384,590 4.513,591 0.18,592 0.003,593 0.069,594 0.042,595 0.036,596 0.021,597 0.02,598 0.014,599 0.011,600 0.007,601 0.403,602 0.5,603 1,604 1.004,605 118.284,606 0.024,607 -0.126,608 0.037,609 -0.039,610 -0.017,611 -0.007,612 0.074,613 0.017,614 -0.022,615 -0.015,616 0.071,617 -0.023,618 -0.056,619 -0.069,620 -0.078,621 -0.086,622 0.003,623 -0.082,624 -0.031,625 0.075,626 -0.004,627 0.031,629 0.018,630 -0.018,631 -0.128,632 -0.036,633 -0.089,634 -0.006,635 -0.069,636 0.046,637 -0.01,638 -0.009,639 -0.005,640 -0.047,641 -0.011,642 0.071,643 -0.025,644 0.101,645 0.01,646 0.031,647 0.054,648 -0.164,649 0.058,650 -0.04,651 0.038,652 -0.159,653 0.013,654 1.523,655 5.333,656 0.5,657 26.458,658 0.977,659 1.135,660 3.529,661 12.457,662 0.615,663 3.258,664 3.497,665 3.638,666 3.761,667 3.871,668 3.761,669 3.85,670 3.807,671 3.611,672 3.497,673 7.245,674 0.555,675 330.57,676 3.258,677 4.745,678 5.533,679 6.354,680 7.159,681 7.983,682 8.795,683 9.621,684 10.437,685 11.265,686 3.4,689 1,693 1,701 4,706 2,708 6,724 58,726 7,727 1,728 25,730 59,731 21,732 6,733 2,734 4,737 2,738 2,743 3,746 3,749 5,751 7,752 14,753 2,754 1,758 1,761 1,764 1,767 34,768 3,769 1,770 3,773 2,777 1,778 1,789 2,798 1,806 1,810 2,815 3,819 24,827 9,828 1,831 2,832 1,839 1.7,842 1,846 13,847 10.867,848 5.472,849 4.043,850 1.094,851 1.17,852 0.918,853 7.943,854 7.511,855 3.401,856 3.795,857 4.147,858 4.526,859 4.937,860 4.929,861 5.163,862 5.143,863 4.715,864 4.467,865 1,866 31,867 8.973,869 3.604,870 0.006,871 7.444,872 18.072,874 14.74,876 1.944,877 46.667,878 0.001,879 1,880 1,881 388.446,882 96.552,883 21.135,885 25.145,888 96.552,889 413.591,890 21.135,891 26.476,892 39.106,893 37.905,894 29.85,895 9.495,897 388.446,899 388.446,900 117.687,901 25.145,904 317.82,905 95.772,908 68.706,909 48.981,912 388.446,913 46.28,914 96.552,917 388.446,918 32.171,919 67.505,920 18.011,921 25.145,922 388.446,923 46.28,924 96.552,926 0.564,927 0.306,928 0.154,929 0.079,930 12,931 6,932 0.136,933 8,935 1,936 3.752,937 168.841,939 12,940 100.039,944 19.147,945 9.956,946 6.695,948 46.28,949 8.538,954 2.457,956 18.011,957 531.278,958 29,962 12.333,965 0.144,967 56.669,968 65.849,969 0.214,970 0.471,971 0.696,972 0.795,973 0.823,974 0.823,975 4.61,976 1,977 5.476,978 2.855,979 4.174,980 4.477,981 2.19,982 6.168,983 4.144,984 5.721,985 1,986 6.967,987 2.275,988 3.611,989 4.06,990 1.668,991 6.855,992 3.579,993 6.958,994 0.797,995 8.558,996 2.136,997 5.652,998 6.369,999 3.12,1000 9.887,1001 5.594,1002 8.224,1003 0.269,1004 10.209,1005 1.869,1006 5.889,1007 6.754,1008 3.181,1009 11.415,1010 5.841,1011 9.525,1012 -0.087,1013 11.9,1014 0.584,1015 7.393,1016 8.585,1017 4.315,1018 13.953,1019 7.321,1020 10.849,1021 -0.497,1022 13.621,1023 -0.209,1024 8.019,1025 9.347,1026 4.656,1027 15.846,1028 7.965,1029 12.191,1030 -0.835,1031 15.362,1032 -1.088,1033 9.282,1034 10.969,1035 5.602,1036 18.204,1037 9.21,1038 2.945,1039 -1,1040 17.12,1041 -2,1042 10.112,1043 11.935,1044 6.091,1045 20.27,1046 10.06,1047 2.562,1048 9.39,1049 18.892,1050 -2.043,1051 11.261,1052 13.445,1053 6.927,1054 22.556,1055 11.2,1056 2.52,1057 7.255,1058 20.674,1059 3.722,1060 12.2,1061 14.532,1062 7.501,1063 24.708,1064 12.157,1065 2.11,1066 6.965,1067 22.466,1068 3.13,1069 13.296,1070 15.974,1071 8.273,1072 26.965,1073 13.252,1074 1.824,1075 5.729,1076 24.265,1077 2.578,1078 14.294,1079 17.139,1080 8.894,1081 29.159,1082 14.265,1083 1.593,1084 4.499,1085 26.071,1086 2.515,1087 15.369,1088 18.537,1089 9.631,1090 31.405,1091 15.343,1092 1.306,1093 3.352,1094 27.882,1095 2.009,1096 16.398,1097 19.752,1098 10.279,1099 33.621,1100 16.385,1101 7034,1102 9083,1103 16.296,1104 35.648,1105 36.167,1106 37.023,1107 36.863,1108 35.855,1109 35.853,1110 41.213,1111 6.222,1112 93.82,1113 35.316,1114 5.207,1115 5.768,1116 6.133,1117 4.985,1118 4.945,1119 6.722,1120 3.497,1121 16.02,1122 4.954,1123 12.631,1124 1.447,1125 1.481,1126 1.475,1127 1.434,1128 1.434,1129 1.649,1130 0.249,1131 3.753,1132 1.413,1133 3.987,1134 4.022,1135 3.914,1136 3.923,1137 7.428,1138 3.917,1139 3.862,1140 3.929,1141 3.729,1142 3.705,1143 4.728,1144 3.7,1145 3.702,1146 3.76,1147 3.584,1148 3.563,1149 4.353,1150 3.554,1151 3.593,1152 3.664,1153 3.43,1154 3.44,1155 4.211,1156 3.43,1157 3.438,1158 3.501,1159 3.274,1160 3.293,1161 4.129,1162 3.28,1163 3.138,1164 3.238,1165 2.948,1166 2.941,1167 3.927,1168 2.91,1169 3.111,1170 3.206,1171 2.866,1172 2.886,1173 3.675,1174 2.891,1175 2.902,1176 3.009,1177 2.726,1178 2.735,1179 3.674,1180 2.715,1181 0.168,1182 0.151,1183 0.253,1184 0.158,1185 0.118,1186 4.207,1187 0.149,1188 3.768,1189 0.079,1190 6.331,1191 0.376,1192 3.949,1193 0.118,1194 2.945,1195 3.722,1196 1.987,1197 9.39,1198 2.954,1199 1.966,1200 1.939,1201 2.098,1202 2.055,1203 1.419,1204 2.069,1205 1.839,1206 1.772,1207 2.065,1208 2.027,1209 1.325,1210 2.044,1211 1.698,1212 1.642,1213 1.938,1214 1.877,1215 1.196,1216 1.897,1217 1.597,1218 1.528,1219 1.858,1220 1.785,1221 1.141,1222 1.815,1223 1.444,1224 1.384,1225 1.713,1226 1.631,1227 0.854,1228 1.66,1229 1.153,1230 1.064,1231 1.513,1232 1.402,1233 0.825,1234 1.429,1235 1.106,1236 1.009,1237 1.428,1238 1.376,1239 0.666,1240 1.421,1241 0.937,1242 0.85,1243 1.417,1244 1.239,1245 0.475,1246 1.308,1247 3.932,1249 5.187,1251 6.624,1253 8.139,1255 9.695,1257 6.458,1263 10.528,1264 3.102,1267 0.588,1268 2.52,1272 32.186,1273 72.55,1274 160.127,1275 236.479,1276 269.988,1277 279.498,1278 279.498,1279 51.58,1280 6.417,1281 32.34,1282 32.34,1283 12,1284 11.843,1285 3,1286 2.322,1287 48.878,1288 103,1289 94,1290 0.225,1291 203.298,1292 356.47,1293 487.807,1294 4993,1296 17.364,1297 0.723,1298 0.653,1299 17.364,1300 15.684,1301 11.559,1302 0.462,1303 0.386,1304 9.583,1305 11.315,1306 9.224,1307 7.784,1308 11.559,1309 9.649,1310 10.035,1311 0.314,1312 0.238,1313 10.035,1314 7.608,1315 7.584,1316 0.205,1317 0.133,1318 7.584,1319 4.916,1320 5.719,1321 0.136,1322 0.081,1323 5.719,1324 3.416,1325 4.24,1326 0.09,1327 0.049,1328 4.24,1329 2.285,1330 0.368,1331 70.995,1332 0.248,1333 24.357,1334 0.576,1335 114,1336 235.714,1337 120.017,1338 232.442,1339 314.18,1340 218,1341 126,1342 222.439,1343 132.157,1344 228.834,1345 327.81,1346 215,1347 3.98}
{0 CHEMBL191413,1 1.565,2 8.684,3 2.761,4 7.621,5 76.092,6 7.086,7 0.316,8 3.728,9 3.84,10 3.44,11 3.3,12 4.721,13 3.208,14 4.3,15 4.483,16 3.605,17 3.647,18 5.583,19 3.541,20 4.565,21 4.772,22 3.587,23 3.77,24 5.664,25 3.646,26 4.632,27 4.889,28 3.591,29 3.755,30 5.856,31 3.598,32 4.511,33 4.738,34 3.457,35 3.675,36 5.622,37 3.509,38 4.459,39 4.716,40 3.248,41 3.523,42 5.522,43 3.33,44 4.215,45 4.486,46 3.025,47 3.268,48 5.236,49 3.089,50 3.992,51 4.238,52 2.812,53 3.064,54 5.034,55 2.908,56 0.072,57 0.559,58 12.307,59 4.375,60 15.524,61 5.525,62 0.326,63 0.858,64 20.275,65 7.354,66 61.021,67 9.385,68 0.297,69 1.021,70 23.944,71 8.29,72 65.786,73 11.119,74 0.416,75 1.045,76 26.576,77 9.111,78 104.45,79 12.328,80 0.23,81 0.952,82 25.006,83 8.488,84 56.629,85 10.845,86 0.264,87 0.846,88 23.783,89 7.754,90 61.11,91 10.04,92 0.17,93 0.651,94 18.602,95 6.127,96 42.713,97 8.016,98 0.177,99 0.526,100 13.569,101 4.447,102 41.971,103 5.995,104 60,105 27,106 0.283,107 0.562,108 0.713,109 0.769,110 0.787,111 0.787,112 3.008,113 1.292,114 -3.32,115 -3.3,116 -3.16,118 35,119 3,120 1,121 2,123 1,137 4,138 2,150 1,162 12,165 1,166 1,169 3,171 1,174 15,179 2,184 2,187 13,191 2,192 4,197 2,200 10,204 6,209 2,212 7,217 5,222 1,225 4,231 5,236 1,239 3,245 3,250 1,253 2,259 4,264 2,272 440,273 11.516,274 11.516,275 11.516,276 11.516,277 11.516,278 10.31,279 11.912,280 6.671,281 11.6,282 9.356,283 9.356,284 9.356,285 9.356,286 9.356,287 7.425,288 10.688,289 3.179,290 9.497,291 3.757,292 2.219,293 1.382,294 1.075,295 0.975,296 0.975,297 3.629,299 1,300 1,301 1,302 317,303 4.243,307 71.297,314 1.596,315 26.142,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 41.5,327 165,328 4.646,329 4.326,330 6.519,331 4.116,332 3.164,333 4.437,334 1.969,335 10.301,336 3.03,337 4.185,338 3.724,339 6.233,340 3.861,341 2.873,342 3.717,343 0.219,344 9.175,345 2.795,346 3.807,347 2.862,348 5.445,349 3.539,350 2.538,351 3.099,353 7.239,354 2.535,355 3.332,356 2.601,357 4.968,358 3.045,359 2.039,360 2.515,362 5.524,363 2.045,364 2.969,365 1.923,366 4.403,367 2.747,368 1.74,369 2.002,371 4.471,372 1.747,373 2.5,374 1.247,375 3.579,376 2,377 1,378 1.5,380 2.275,381 1,382 2.031,383 1,384 3.414,385 1.776,386 0.769,387 0.898,389 1.908,390 0.768,391 1.132,392 0.914,393 2.811,394 0.925,395 -0.074,396 -0.084,398 -0.182,399 -0.074,400 1,401 0.254,402 2.446,403 0.579,404 -0.459,405 -0.576,407 -1.235,408 -0.465,409 1,410 0.095,411 2,412 0.165,413 -0.835,414 -0.978,416 -2,417 -0.789,418 0.5,419 -0.698,420 2,422 -1,423 -1,425 -2.043,426 -0.836,427 0.406,428 -0.871,429 2,431 -1,432 -1.238,434 -3,435 -1,436 0.283,437 -1,438 1.893,440 -1,441 -1.5,443 -3,444 -1,446 -1,447 1.393,448 -0.202,449 -1,450 -1.592,452 -3,453 -1,454 -0.174,455 -1,456 1.251,457 -0.313,458 -1.349,459 -1.894,461 -3.607,462 -1.402,463 9.233,464 0.486,465 0.813,466 0.043,467 21,468 1.105,469 10.5,470 0.553,471 10.5,472 0.553,473 16.975,474 0.893,475 22.567,476 0.564,477 14.682,478 0.773,479 3.624,480 0.191,481 5.063,482 0.266,483 0.325,484 0.09,485 0.271,490 0.445,491 1.412,492 0.928,493 1.4,494 0.645,495 1.155,496 0.402,497 1.117,498 1.032,499 1.174,500 0.449,501 1.024,502 1.16,503 1.063,504 0.907,505 0.96,506 1.177,507 1.117,508 0.597,509 0.916,510 0.725,511 0.844,512 0.558,513 0.902,514 1.036,515 1.145,516 1.116,517 1.139,518 1.005,519 1.134,520 1.074,521 0.984,522 1.015,523 0.985,524 1.06,525 1.029,526 0.865,527 0.958,528 0.88,529 0.956,530 0.867,531 0.916,532 1.227,533 0.964,534 0.872,535 0.85,536 1.234,537 1.024,538 6.5,539 0.099,540 2.222,541 1.625,542 1.062,543 0.632,544 0.466,545 0.207,546 0.209,547 0.06,548 2809,549 8207,550 1.788,551 52.5,552 12,553 7,556 1,557 1,561 1.6,562 1.594,563 3.1,564 -0.249,565 1,566 1,568 1,570 62.581,571 1.565,572 3.103,573 3.94,574 4.246,575 4.346,576 4.346,577 2.531,578 3.471,579 4.215,580 3.285,581 561.796,582 7.166,583 5661.23,584 1,585 1,586 1,587 1,588 212.877,589 1.786,590 4.096,591 0.342,592 0.02,593 0.082,594 0.068,595 0.044,596 0.032,597 0.031,598 0.016,599 0.021,600 0.007,601 0.663,602 0.5,603 1,604 1.885,605 83.566,606 0.125,607 -0.09,608 0.244,609 -0.066,610 -0.132,611 0.012,612 0.381,613 0.021,614 0.01,615 -0.051,616 0.3,617 0.036,618 -0.159,619 -0.043,620 -0.113,621 -0.066,622 -0.175,623 -0.14,624 0.217,625 0.033,626 0.119,627 0.054,628 0.238,629 0.071,630 -0.106,631 -0.138,632 -0.124,633 -0.122,634 -0.069,635 -0.138,636 -0.105,637 -0.052,638 -0.056,639 -0.035,640 -0.077,641 -0.067,642 -0.001,643 -0.056,644 0.06,645 -0.012,646 0.02,647 0.056,648 -0.158,649 -0.036,650 -0.066,651 -0.013,652 -0.153,653 -0.091,654 4.417,655 4.732,656 0.316,657 15.446,658 1,659 1.13,660 2.088,661 4.36,662 0.641,663 2.996,664 3.332,665 3.332,666 3.497,667 3.555,668 3.497,669 3.555,670 3.434,671 3.219,672 2.833,673 5.363,674 0.591,675 283.43,676 2.996,677 4.533,678 5.303,679 6.176,680 6.969,681 7.84,682 8.645,683 9.512,684 10.325,685 11.191,686 2.5,693 1,701 4,706 2,708 6,724 40,726 9,727 1,728 19,730 40,731 14,732 6,733 2,734 4,737 1,738 1,743 3,749 1,751 7,752 7,753 2,754 3,756 1,758 3,761 1,763 1,764 1,767 21,768 4,769 1,770 5,771 1,773 1,777 1,778 3,789 1,810 1,813 1,815 4,819 19,823 1,827 1,828 1,831 2,839 7.5,842 3,846 11.917,847 8.167,848 4.097,849 2.382,850 1.347,851 1.235,852 0.903,853 5.275,854 7.074,855 3.258,856 3.839,857 4.012,858 4.504,859 4.862,860 4.907,861 5.157,862 5.164,863 4.996,864 4.822,865 0.833,866 24,867 7.237,869 3.147,870 0.006,871 8.11,872 13.34,874 10.681,876 2.61,877 49.583,878 0.001,881 235.422,882 90.989,883 16.405,885 69.458,887 5.807,888 85.181,889 304.88,890 16.405,891 33.666,892 18.94,893 43.712,894 74.163,895 6.371,897 235.422,899 235.422,900 101.586,901 69.458,902 5.807,904 235.422,905 69.458,908 45.415,909 56.171,910 5.807,912 235.422,913 85.863,914 90.989,916 5.807,917 235.422,918 13.61,919 71.571,920 16.405,921 69.458,922 235.422,923 85.863,924 90.989,926 0.594,927 0.282,928 0.14,929 0.072,930 11,931 7,932 0.125,933 5,935 1,936 2.967,937 123.185,939 6,940 72.711,943 1,944 15.874,945 6.313,946 5.54,948 85.863,949 7.73,954 2.031,956 16.405,957 412.274,958 25,960 -3.5,962 33.773,965 -0.501,967 39.996,968 45.199,969 0.294,970 0.583,971 0.74,972 0.798,973 0.817,974 0.817,975 4.505,976 -0.074,977 5.38,978 1.908,979 4.007,980 4.522,981 2.035,982 6.184,983 3.977,984 5.766,985 -0.459,986 6.957,987 -0.182,988 4.007,989 4.82,990 1.593,991 7.376,992 3.914,993 7.127,994 -0.835,995 8.639,996 -1.235,997 5.687,998 6.806,999 3.061,1000 10.225,1001 5.602,1002 8.522,1003 -1,1004 10.376,1005 -2,1006 6.347,1007 7.799,1008 3.123,1009 12.09,1010 6.189,1011 9.945,1012 -1,1013 12.146,1014 -2.043,1015 7.659,1016 9.439,1017 4.261,1018 14.582,1019 7.495,1020 11.387,1021 -1,1022 13.938,1023 -3,1024 8.579,1025 10.698,1026 4.586,1027 16.699,1028 8.348,1029 12.843,1030 -1,1031 15.744,1032 -3,1033 9.766,1034 12.231,1035 5.532,1036 19.077,1037 9.515,1038 3.164,1039 -1.349,1040 17.561,1041 -3,1042 10.8,1043 13.604,1044 6.005,1045 21.3,1046 10.489,1047 2.873,1048 10.301,1049 19.386,1050 -3.607,1051 11.943,1052 15.102,1053 6.84,1054 23.636,1055 11.601,1056 2.538,1057 9.175,1058 21.218,1059 4.437,1060 13.027,1061 16.529,1062 7.398,1063 25.907,1064 12.631,1065 2.039,1066 7.239,1067 23.055,1068 3.717,1069 14.158,1070 18.014,1071 8.167,1072 28.229,1073 13.724,1074 1.74,1075 5.524,1076 24.896,1077 3.099,1078 15.267,1079 19.468,1080 8.774,1081 30.523,1082 14.782,1083 1,1084 4.471,1085 26.741,1086 2.515,1087 16.395,1088 20.95,1089 9.505,1090 32.841,1091 15.869,1092 0.769,1093 2.275,1094 28.589,1095 2.002,1096 17.517,1097 22.419,1098 10.141,1099 35.148,1100 16.942,1101 3091,1102 5484,1103 11.038,1104 25.631,1105 28.519,1106 30.633,1107 29.331,1108 28.316,1109 28.245,1110 36.334,1111 4.376,1112 81.785,1113 27.842,1114 5.515,1115 6.326,1116 5.933,1117 5.116,1118 5.164,1119 7.437,1120 3.473,1121 17.206,1122 5.03,1123 13.925,1124 1.501,1125 1.612,1126 1.544,1127 1.49,1128 1.487,1129 1.912,1130 0.23,1131 4.304,1132 1.465,1133 4.018,1134 4.027,1135 4.716,1136 3.961,1137 7.719,1138 3.923,1139 3.915,1140 3.895,1141 3.9,1142 3.878,1143 7.427,1144 3.76,1145 3.657,1146 3.712,1147 3.529,1148 3.543,1149 6.999,1150 3.522,1151 3.45,1152 3.497,1153 3.337,1154 3.308,1155 4.726,1156 3.294,1157 2.967,1158 3.043,1159 2.82,1160 2.745,1161 4.207,1162 2.736,1163 2.895,1164 3.009,1165 2.687,1166 2.735,1167 3.987,1168 2.715,1169 2.874,1170 2.989,1171 2.641,1172 2.645,1173 3.745,1174 2.649,1175 2.854,1176 2.925,1177 2.499,1178 2.618,1179 3.674,1180 2.57,1181 0.245,1182 0.228,1183 0.343,1184 0.217,1185 0.167,1186 4.646,1187 0.234,1188 4.326,1189 0.104,1190 6.519,1191 0.542,1192 4.116,1193 0.159,1194 3.164,1195 4.437,1196 1.969,1197 10.301,1198 3.03,1199 1.968,1200 1.943,1201 2.096,1202 2.053,1203 1.325,1204 2.071,1205 1.747,1206 1.77,1207 1.931,1208 1.905,1209 1.162,1210 1.955,1211 1.656,1212 1.613,1213 1.726,1214 1.804,1215 0.966,1216 1.854,1217 1.435,1218 1.386,1219 1.606,1220 1.615,1221 0.842,1222 1.651,1223 0.937,1224 0.853,1225 1.417,1226 1.24,1227 0.475,1228 1.308,1229 0.934,1230 0.821,1231 1.308,1232 1.239,1233 0.469,1234 1.251,1235 0.887,1236 0.804,1237 1.182,1238 1.159,1239 0.218,1240 1.209,1241 0.886,1242 0.804,1243 1.181,1244 1.062,1245 0.209,1246 1.107,1247 3.664,1249 4.99,1251 6.469,1253 8.015,1255 9.598,1257 6.966,1263 0.99,1264 1.997,1267 0.097,1272 23.621,1273 62.581,1274 124.122,1275 157.593,1276 169.858,1277 173.858,1278 173.858,1279 63.974,1280 5.727,1281 63.24,1282 71.62,1283 6,1284 11.748,1285 3.322,1286 2.807,1287 45.789,1288 60,1289 56,1290 0.386,1291 155.874,1292 272.82,1293 372.093,1294 1630,1296 14.629,1297 0.77,1298 0.664,1299 14.879,1300 12.621,1301 8.687,1302 0.457,1303 0.431,1304 6.401,1305 7.71,1306 5.873,1307 5.029,1308 9.614,1309 8.184,1310 9.012,1311 0.334,1312 0.261,1313 10.394,1314 7.048,1315 5.272,1316 0.195,1317 0.125,1318 5.739,1319 3.375,1320 4.233,1321 0.132,1322 0.074,1323 4.809,1324 2.379,1325 2.832,1326 0.083,1327 0.045,1328 3.159,1329 1.514,1330 0.602,1331 63.35,1332 0.301,1333 19.206,1334 1.058,1335 92,1336 290.4,1337 130.442,1338 300.343,1339 383.96,1340 270,1341 100,1342 240.711,1343 145.267,1344 278.545,1345 387.87,1346 255,1347 6.22}
{0 CHEMBL192571,1 1.646,2 17.591,3 5.85,4 34.225,5 180.617,6 7.528,7 0.383,8 4.514,9 4.631,10 4.202,11 4.079,12 5.561,13 4.011,14 5.083,15 5.261,16 4.519,17 4.491,18 6.275,19 4.401,20 5.376,21 5.573,22 4.621,23 4.693,24 6.399,25 4.562,26 5.575,27 5.833,28 4.589,29 4.691,30 6.665,31 4.534,32 5.464,33 5.716,34 4.606,35 4.612,36 6.476,37 4.485,38 5.387,39 5.588,40 4.638,41 4.608,42 6.745,43 4.502,44 5.4,45 5.614,46 4.562,47 4.611,48 6.498,49 4.491,50 5.345,51 5.544,52 4.597,53 4.576,54 6.597,55 4.473,56 0.192,57 1.273,58 21.694,59 8.578,60 23.163,61 10.906,62 0.59,63 2.056,64 39.808,65 14.66,66 97,67 18.876,68 0.394,69 2.645,70 56.038,71 20.246,72 67.332,73 25.927,74 0.982,75 2.866,76 73.249,77 23.74,78 172.355,79 31.301,80 0.809,81 2.611,82 67.361,83 20.859,84 118.58,85 27.366,86 1.237,87 2.477,88 57.698,89 19.099,90 221.77,91 24.246,92 0.78,93 2.495,94 63.894,95 20.428,96 120.355,97 25.31,98 0.926,99 2.407,100 56.153,101 18.467,102 150.449,103 23.264,104 88,105 67,106 0.247,107 0.54,108 0.727,109 0.808,110 0.818,111 0.818,112 3.81,113 1.091,114 -5,115 -4.9,116 -4.59,118 37.6,119 2,120 3,122 1,123 2,124 4,126 1,137 12,138 1,139 5,150 1,157 2,162 13,165 2,166 7,169 3,171 3,174 17,179 12,182 1,184 7,187 8,191 2,192 12,195 3,197 3,200 6,203 2,204 10,207 1,209 2,212 13,216 5,217 9,220 5,221 1,222 2,225 17,230 2,231 7,236 1,239 14,244 6,245 12,248 1,250 4,253 10,259 18,264 4,267 5,272 4676,273 28.54,274 28.54,275 28.54,276 28.54,277 28.54,278 25.707,279 34.003,280 16.619,281 29.206,282 23.161,283 23.161,284 23.161,285 23.161,286 23.161,287 18.818,288 44.894,289 7.9,290 24.231,291 4.763,292 2.808,293 1.56,294 1.018,295 0.953,296 0.953,297 4.495,301 1,302 1634,303 5.523,307 743.43,314 2.955,315 59.675,318 0.75,319 0.5,320 0.67,321 0.9,322 1,323 0.5,324 0.5,325 0.69,326 95.5,327 774,328 4.868,329 4.691,330 7.316,331 4.334,332 3.41,333 4.721,334 2.95,335 12.549,336 3.2,337 4.371,338 4.415,339 6.716,340 4.21,341 3.216,342 4.062,343 2.612,344 10.903,345 3.135,346 4.254,347 3.8,348 6.42,349 3.928,350 2.96,351 3.787,352 0.98,353 9.841,354 2.871,355 4.157,356 3.528,357 6.147,358 3.82,359 2.848,360 3.445,361 0.8,362 9.053,363 2.758,364 3.904,365 3.268,366 5.974,367 3.578,368 2.607,369 3.254,370 0.8,371 8.385,372 2.512,373 3.855,374 2.977,375 5.448,376 3.499,377 2.573,378 3.113,379 0.4,380 7.238,381 2.381,382 3.628,383 2.975,384 5.285,385 3.36,386 2.406,387 2.997,389 6.784,390 2.285,391 3.413,392 2.663,393 4.896,394 3.05,395 2.132,396 2.533,398 5.207,399 1.957,400 3.163,401 2.569,402 4.805,403 2.869,404 1.893,405 2.27,407 5.165,408 1.839,409 3.043,410 2.129,411 4.586,412 2.697,413 1.723,414 2.133,416 4.833,417 1.668,418 2.968,419 2.068,420 4.454,421 2.545,422 1.568,423 2.052,425 4.423,426 1.527,427 2.882,428 1.709,429 4.003,430 2.437,431 1.48,432 1.983,434 3.151,435 1.398,436 2.607,437 1.643,438 3.802,439 2.15,440 1.143,441 1.595,443 3.126,444 1.141,445 2.563,446 1.531,447 3.639,448 2,449 1,450 1.531,452 2.42,453 1,454 2.5,455 1.329,456 3.613,457 2,458 1,459 1.5,461 2.372,462 1,463 21.333,464 0.485,465 1.432,466 0.033,467 54.25,468 1.233,469 27,470 0.614,471 27.25,472 0.619,473 47.246,474 1.074,475 49.467,476 0.582,477 50.905,478 1.157,479 9.929,480 0.226,481 10.897,482 0.248,483 0.172,484 0.063,485 0.244,490 0.467,491 1.346,492 0.823,493 1.158,494 0.562,495 1.036,496 0.607,497 1.055,498 0.92,499 0.962,500 0.413,501 0.931,502 0.788,503 1.27,504 1.095,505 1.247,506 0.655,507 1.2,508 0.788,509 0.978,510 0.92,511 0.97,512 0.748,513 0.937,514 0.888,515 0.921,516 0.87,517 0.925,518 0.91,519 0.822,520 0.948,521 0.965,522 0.99,523 0.984,524 0.99,525 0.986,526 1.178,527 1.055,528 1.156,529 1.124,530 1.288,531 0.992,532 0.996,533 1.119,534 0.941,535 1.01,536 1.083,537 1.035,538 12,539 0.442,540 6,541 2.688,542 2.64,543 2.229,544 1.118,545 1.047,546 0.863,547 0.631,548 35787,549 89867,550 1.982,551 48.2,552 6,553 27,556 2,558 4,559 2,561 1.822,562 1.821,563 4.028,564 0.149,570 139.919,571 1.646,572 3.601,573 4.85,574 5.391,575 5.456,576 5.456,577 3.522,578 4.715,579 5.426,580 4.273,581 4042.72,582 9.609,583 78696.8,588 544.798,589 1.671,590 5.36,591 0.255,592 0.008,593 0.09,594 0.04,595 0.041,596 0.034,597 0.016,598 0.016,599 0.013,600 0.01,601 0.523,602 0.17,603 0.63,604 1.043,605 259.435,606 0.171,607 -0.089,608 0.158,609 -0.013,610 -0.057,611 0.013,612 0.196,613 0.099,614 0.061,615 0.09,616 0.259,617 0.075,618 -0.033,619 -0.174,620 -0.083,621 -0.177,622 0.012,623 -0.179,624 0.132,625 -0.022,626 0.095,627 0.018,628 0.145,629 0.056,630 0.068,631 0.058,632 0.181,633 0.084,634 0.008,635 0.17,636 0.266,637 0.072,638 0.027,639 0.017,640 0.266,641 -0.018,642 -0.072,643 -0.036,644 -0.04,645 -0.042,646 -0.133,647 0.008,648 0.143,649 -0.077,650 0.02,651 -0.035,652 0.072,653 -0.067,654 5.29,655 6.144,656 0.545,657 70.492,658 1.002,659 1.128,660 3.77,661 14.214,662 0.662,663 3.871,664 4.22,665 4.394,666 4.585,667 4.836,668 4.913,669 4.977,670 5.069,671 5.176,672 5.252,673 10.14,674 0.618,675 639.92,676 3.871,677 5.434,678 6.26,679 7.138,680 7.985,681 8.865,682 9.722,683 10.604,684 11.466,685 12.35,686 5.9,689 1,691 1,692 1,693 1,697 1,701 12,706 6,708 18,718 1,719 1,720 1,724 85,726 23,727 3,728 47,730 88,731 32,732 18,733 6,734 12,735 1,737 4,738 4,743 2,744 1,745 1,746 2,749 4,751 19,752 13,754 5,755 1,756 1,758 5,761 1,767 41,768 9,769 2,770 12,771 2,773 5,777 1,778 5,789 4,806 1,810 4,811 1,813 2,815 4,819 44,823 1,827 7,828 2,830 1,831 1,832 2,833 1,839 5.9,842 3,845 2,846 24.167,847 16.1,848 9.486,849 4.95,850 2.903,851 1.352,852 0.948,853 11.494,854 11.147,855 4.127,856 4.705,857 5.125,858 5.604,859 6.102,860 6.321,861 6.56,862 6.733,863 6.92,864 7.173,865 0.917,866 68,867 16.88,869 7.647,870 0.006,871 7.898,872 31.271,874 25.934,876 2.398,877 105.5,881 459.073,882 220.267,883 46.334,885 120.205,887 38.027,888 182.24,889 579.278,890 46.334,891 40.113,892 31.225,893 119.522,894 92.173,895 20.806,897 491.293,898 50.747,899 459.073,900 228.575,901 120.205,902 38.027,904 388.446,905 140.084,906 50.747,908 52,909 152.894,910 29.488,911 32.22,912 459.073,913 166.539,914 220.267,916 5.807,917 459.073,918 66.302,919 160.077,920 34.416,921 120.205,922 459.073,923 166.539,924 220.267,926 0.592,927 0.32,928 0.156,929 0.091,930 29,931 15,932 0.148,933 13,935 1,936 5.183,937 434.107,939 24,940 220.215,941 1,943 1,944 33.948,945 14.897,946 9.781,948 160.869,949 20.348,954 1.718,956 34.416,957 845.88,958 61,959 -0.614,960 -4.373,962 63.256,965 -0.803,967 85.203,968 95.852,969 0.257,970 0.562,971 0.757,972 0.841,973 0.851,974 0.851,975 5.391,976 2.132,977 6.297,978 6.784,979 4.905,980 5.394,981 3.519,982 7.132,983 4.821,984 6.62,985 1.893,986 7.886,987 5.207,988 4.745,989 5.447,990 2.431,991 8.36,992 4.607,993 7.959,994 1.723,995 9.588,996 5.165,997 6.594,998 7.612,999 5.385,1000 11.317,1001 6.422,1002 9.334,1003 1.568,1004 11.357,1005 4.833,1006 7.201,1007 8.461,1008 4.513,1009 13.336,1010 6.973,1011 10.743,1012 1.48,1013 13.17,1014 4.423,1015 8.602,1016 10.199,1017 7.44,1018 15.924,1019 8.342,1020 12.177,1021 1.143,1022 15.015,1023 3.151,1024 9.53,1025 11.399,1026 6.557,1027 18.231,1028 9.214,1029 13.631,1030 1,1031 16.883,1032 3.126,1033 10.777,1034 12.992,1035 9.54,1036 20.731,1037 10.425,1038 3.41,1039 1,1040 18.768,1041 2.42,1042 11.846,1043 14.359,1044 8.548,1045 23.149,1046 11.439,1047 3.216,1048 12.549,1049 20.666,1050 2.372,1051 13.043,1052 15.903,1053 11.658,1054 25.637,1055 12.594,1056 2.96,1057 10.903,1058 22.577,1059 4.721,1060 14.177,1061 17.353,1062 10.509,1063 28.103,1064 13.673,1065 2.848,1066 9.841,1067 24.496,1068 4.062,1069 15.362,1070 18.884,1071 13.789,1072 30.596,1073 14.81,1074 2.607,1075 9.053,1076 26.424,1077 3.787,1078 16.526,1079 20.377,1080 12.452,1081 33.086,1082 15.92,1083 2.573,1084 8.385,1085 28.358,1086 3.445,1087 17.713,1088 21.907,1089 15.928,1090 35.587,1091 17.054,1092 2.406,1093 7.238,1094 30.299,1095 3.254,1096 18.894,1097 23.424,1098 14.386,1099 38.09,1100 18.18,1101 34523,1102 55279,1103 30.107,1104 56.302,1105 70.825,1106 76.293,1107 71.998,1108 70.406,1109 70.357,1110 89.576,1111 17.084,1112 205.344,1113 67.492,1114 5.868,1115 6.691,1116 7.118,1117 5.446,1118 5.41,1119 7.721,1120 5.9,1121 20.023,1122 5.2,1123 28.204,1124 1.507,1125 1.623,1126 1.532,1127 1.498,1128 1.497,1129 1.906,1130 0.363,1131 4.369,1132 1.436,1133 4.124,1134 4.123,1135 4.738,1136 4.079,1137 7.815,1138 4.013,1139 3.974,1140 4.013,1141 4.027,1142 3.887,1143 7.718,1144 3.88,1145 3.892,1146 3.916,1147 3.91,1148 3.861,1149 7.427,1150 3.828,1151 3.838,1152 3.87,1153 3.891,1154 3.729,1155 6.999,1156 3.718,1157 3.767,1158 3.808,1159 3.703,1160 3.643,1161 6.999,1162 3.607,1163 3.708,1164 3.728,1165 3.615,1166 3.522,1167 4.757,1168 3.499,1169 3.489,1170 3.563,1171 3.444,1172 3.281,1173 4.716,1174 3.256,1175 3.388,1176 3.434,1177 3.384,1178 3.145,1179 4.663,1180 3.159,1181 0.104,1182 0.1,1183 0.156,1184 0.092,1185 0.073,1186 4.868,1187 0.1,1188 4.691,1189 0.063,1190 7.316,1191 0.267,1192 4.334,1193 0.068,1194 3.41,1195 4.721,1196 2.95,1197 12.549,1198 3.2,1199 1.988,1200 1.99,1201 2.109,1202 2.117,1203 1.452,1204 2.112,1205 1.945,1206 1.911,1207 2.014,1208 2.08,1209 1.316,1210 2.086,1211 1.881,1212 1.859,1213 1.982,1214 1.955,1215 1.173,1216 1.981,1217 1.825,1218 1.784,1219 1.973,1220 1.942,1221 1.093,1222 1.956,1223 1.715,1224 1.661,1225 1.916,1226 1.91,1227 1.068,1228 1.923,1229 1.521,1230 1.525,1231 1.714,1232 1.774,1233 0.902,1234 1.764,1235 1.421,1236 1.35,1237 1.617,1238 1.697,1239 0.825,1240 1.689,1241 1.301,1242 1.233,1243 1.513,1244 1.565,1245 0.799,1246 1.569,1247 4.554,1249 5.894,1251 7.412,1253 9.005,1255 10.641,1257 8.432,1263 6.094,1264 5.325,1266 1.638,1267 -0.122,1268 4.292,1269 0.309,1272 52.538,1273 139.919,1274 306.113,1275 412.23,1276 458.269,1277 463.779,1278 463.779,1279 146.634,1280 8.244,1281 127.57,1282 161.25,1283 24,1284 12.888,1285 4.585,1286 3.907,1287 85.341,1288 266,1289 280,1290 0.151,1291 332.165,1292 586.95,1293 802.243,1294 51332,1296 31.907,1297 0.725,1298 0.62,1299 32.511,1300 27.288,1301 20.826,1302 0.443,1303 0.364,1304 14.655,1305 18.819,1306 13.92,1307 11.643,1308 22.101,1309 17.095,1310 20.179,1311 0.301,1312 0.222,1313 22.057,1314 14.902,1315 15.026,1316 0.188,1317 0.129,1318 16.829,1319 10.297,1320 11.653,1321 0.12,1322 0.071,1323 13.355,1324 6.917,1325 9.556,1326 0.076,1327 0.043,1328 11.129,1329 5.316,1330 0.245,1331 143.331,1332 0.182,1333 39.439,1334 0.396,1335 228,1336 676,1337 307.466,1338 693.906,1339 917.8,1340 636,1341 261,1342 619.359,1343 346.103,1344 676.294,1345 971.96,1346 627,1347 4.866}
{0 CHEMBL192949,1 1.725,2 7.565,3 4.837,4 23.4,5 69.9,6 10.782,7 0.5,8 3.59,9 3.654,10 3.396,11 3.12,12 5.035,13 3.192,14 4.143,15 4.229,16 3.974,17 3.476,18 6.441,19 3.563,20 4.253,21 4.369,22 3.862,23 3.601,24 5.888,25 3.651,26 4.448,27 4.619,28 3.829,29 3.523,30 6.049,31 3.607,32 4.266,33 4.399,34 3.922,35 3.414,36 5.937,37 3.551,38 4.42,39 4.566,40 4.101,41 3.255,42 6.851,43 3.457,44 4.161,45 4.342,46 3.531,47 2.941,48 5.938,49 3.141,50 3.782,51 3.929,52 3.38,53 2.431,54 5.697,55 2.78,56 0.525,57 0.923,58 1.612,59 3.283,60 112.308,61 2.253,62 1.491,63 1.991,64 4.986,65 5.428,66 284.542,67 3.762,68 1.112,69 1.554,70 4.985,71 6.441,72 198.967,73 5.405,74 1.857,75 1.592,76 14.843,77 7.325,78 355.933,79 5.69,80 1.299,81 1.722,82 8.34,83 6.222,84 260.232,85 5.114,86 2.48,87 2.554,88 12.868,89 6.607,90 454.068,91 4.226,92 1.593,93 1.202,94 13.234,95 5.107,96 303.166,97 3.362,98 1.038,99 0.938,100 7.015,101 3.369,102 201.4,103 2.004,104 74,105 37,106 0.326,107 0.549,108 0.662,109 0.782,110 0.794,111 0.794,112 3.189,113 0.764,114 -6.27,115 -6.1,116 -5.67,118 48.4,130 2,137 7,138 5,150 1,158 1,161 1,162 13,163 1,166 1,169 1,171 1,174 16,175 2,179 2,184 2,187 14,188 2,192 2,197 2,200 10,201 2,204 2,209 2,212 8,213 2,217 2,222 2,225 4,226 2,231 2,236 2,239 1,240 1,245 1,250 1,272 704,273 13.96,274 13.96,275 13.96,276 13.96,277 13.96,278 12.536,279 11.187,280 7.779,281 14.468,282 11.838,283 11.838,284 11.838,285 11.838,286 11.838,287 9.549,288 11.429,289 3.697,290 12.814,291 3.229,292 2.051,293 1.457,294 0.823,295 0.758,296 0.758,297 3.835,300 1,301 1,302 347,303 4.183,307 153.818,314 1.187,315 71.055,318 0.75,319 0.83,320 0.83,321 0.3,322 0.5,323 0.83,324 1,325 0.72,326 57,327 174,328 4.587,329 4.482,330 7.186,331 4.291,332 3.404,333 4.144,334 3.825,335 11.983,336 3.09,337 4.292,338 4.439,339 7.052,340 4.059,341 3.23,342 3.78,343 3.825,344 11.446,345 2.827,346 4.246,347 3.579,348 6.207,349 3.888,350 2.903,351 3.425,352 1.437,353 9.287,354 2.676,355 3.88,356 2.867,357 5.841,358 3.545,359 2.56,360 3.208,362 7.936,363 2.492,364 3.278,365 2.279,366 4.889,367 2.833,368 1.899,369 2.499,371 5.597,372 1.734,373 2.924,374 1.884,375 4.377,376 2.462,377 1.485,378 2.048,380 3.92,381 1.416,382 2.65,383 1.634,384 4.278,385 2.211,386 1.285,387 1.698,389 3.843,390 1.157,391 2.541,392 1.28,393 3.696,394 2.031,395 1.036,396 1.532,398 2.693,399 1.026,400 2.518,401 1.047,402 3.435,403 2.005,404 1,405 1.474,407 2.322,408 0.994,409 0.937,410 0.51,411 2.861,412 0.523,413 -0.476,414 -0.645,416 -1.299,417 -0.474,418 0.756,419 0.51,420 2.818,421 0.333,422 -0.644,423 -0.852,425 -2,426 -0.625,427 0.732,428 0.51,429 2.596,430 0.263,431 -0.748,432 -0.984,434 -2.051,435 -0.7,436 0.544,437 0.51,438 2,439 0.071,440 -0.923,441 -1,443 -2.059,444 -0.7,445 0.408,446 0.435,447 2,448 -0.018,449 -1,450 -1,452 -2.677,453 -0.7,455 -0.377,456 2,457 -0.3,458 -1,459 -1,461 -3,462 -0.7,463 9.881,464 0.43,465 1.105,466 0.048,467 27.5,468 1.196,469 13.5,470 0.587,471 14,472 0.609,473 16.938,474 0.736,475 26.719,476 0.862,477 26.52,478 1.153,479 6.02,480 0.262,481 4.461,482 0.194,483 0.241,484 0.101,485 0.304,487 6,490 0.632,491 0.787,492 0.525,493 0.907,494 0.72,495 0.801,496 0.36,497 0.561,498 0.495,499 0.84,500 0.376,501 0.908,502 0.61,503 0.873,504 0.733,505 1.222,506 0.577,507 1.271,508 1.129,509 0.93,510 1.258,511 0.912,512 1.14,513 1.037,514 0.903,515 1.171,516 0.67,517 1.24,518 0.935,519 1.027,520 0.941,521 0.943,522 0.982,523 1.024,524 0.897,525 1.05,526 1.599,527 1.228,528 1.51,529 0.946,530 1.586,531 0.931,532 1.727,533 1.644,534 1.229,535 1.416,536 1.734,537 1.023,538 8.5,540 3.556,541 1.688,542 1.631,543 1.917,544 0.471,545 0.479,546 0.46,548 4356,549 25801,550 1.855,551 25.8,553 7,556 1,561 1.666,562 1.643,563 2.903,564 -0.198,570 53.467,571 1.725,572 2.904,573 3.497,574 4.131,575 4.196,576 4.196,577 2.193,578 3.414,579 4.498,580 3.093,581 782.498,582 7.787,583 8830.28,585 1,588 153.58,589 1.864,590 4.366,591 0.354,593 0.096,594 0.047,595 0.049,596 0.053,597 0.013,598 0.022,599 0.026,601 0.661,602 0.67,603 0.88,604 1.11,605 105.177,606 -0.033,607 0.028,608 -0.029,609 0.082,610 -0.114,611 0.07,612 0.492,613 0.462,614 0.172,615 0.168,616 0.47,617 -0.066,618 0.021,619 -0.13,620 0.007,621 -0.262,622 0.054,623 -0.25,624 -0.255,625 -0.077,626 -0.219,627 0.045,628 -0.268,629 0.048,630 -0.099,631 -0.331,632 0.237,633 -0.283,634 -0.125,635 0.001,636 0.277,637 0.273,638 0.1,639 -0.029,640 0.306,641 -0.149,642 -0.493,643 -0.234,644 -0.307,645 0.006,646 -0.479,647 0.113,648 -0.527,649 -0.543,650 -0.088,651 -0.468,652 -0.528,653 -0.1,654 6.208,655 4.798,656 0.522,657 16.548,658 1.094,659 1.173,660 5.036,661 25.362,662 0.673,663 3.219,664 3.638,665 3.761,666 3.932,667 4.263,668 4.357,669 4.394,670 4.382,671 4.29,672 4.205,673 5.024,674 0.723,675 334.23,676 3.219,677 4.812,678 5.638,679 6.547,680 7.408,681 8.311,682 9.185,683 10.087,684 10.967,685 11.868,701 7,706 5,708 12,716 1,724 31,726 13,727 2,728 24,730 32,731 15,732 12,733 5,734 7,735 1,737 2,738 2,743 2,748 2,751 13,752 2,754 1,758 1,761 1,765 6,767 8,768 8,769 1,770 8,777 1,778 2,789 2,808 1,810 2,817 6,819 23,826 1,833 2,838 6,839 6.5,841 1,842 1,846 14,847 5.557,848 4.722,849 1.612,850 2.395,851 1.365,852 0.945,853 4.236,854 8.962,855 3.466,856 4.094,857 4.605,858 5.147,859 5.763,860 6.043,861 6.452,862 6.673,863 6.966,864 7.208,865 0.8,866 36,867 10.208,869 6.065,870 0.006,871 9.304,872 14.294,874 11.569,876 3.804,877 87.5,881 82.398,882 98.691,885 67.828,886 89.761,888 98.691,889 150.226,890 89.761,893 66.334,894 68.738,895 105.689,897 82.398,898 15.519,899 82.398,900 98.691,901 157.589,904 82.398,905 157.589,908 15.519,909 83.171,912 172.158,913 67.828,914 98.691,917 97.917,918 16.838,919 66.334,921 157.589,922 82.398,923 157.589,924 98.691,926 0.619,927 0.32,928 0.14,929 0.093,930 18,931 10,932 0.063,933 2,935 1,936 3.186,937 183.043,939 12,940 82.532,944 17.049,945 5.715,946 3.911,948 157.589,949 5.799,954 -3.573,956 42.683,957 338.677,958 31,962 10.877,965 -1.338,967 33.916,968 36.363,969 0.348,970 0.586,971 0.706,972 0.834,973 0.847,974 0.847,975 4.762,976 1.036,977 5.759,978 3.843,979 4.317,980 4.779,981 3.802,982 6.668,983 4.177,984 6.049,985 1,986 7.41,987 2.693,988 4.443,989 4.856,990 4.586,991 8.08,992 4.069,993 7.413,994 -0.476,995 9.177,996 2.322,997 6.129,998 6.992,999 6.13,1000 11.011,1001 5.815,1002 8.807,1003 -0.644,1004 11.007,1005 -1.299,1006 6.929,1007 7.721,1008 7.382,1009 13.1,1010 6.378,1011 10.225,1012 -0.748,1013 12.875,1014 -2,1015 8.27,1016 9.474,1017 8.753,1018 15.694,1019 7.732,1020 11.66,1021 -0.923,1022 14.766,1023 -2.051,1024 9.309,1025 10.502,1026 10.082,1027 18.015,1028 8.576,1029 13.108,1030 -1,1031 16.674,1032 -2.059,1033 10.544,1034 12.082,1035 11.428,1036 20.513,1037 9.772,1038 3.404,1039 -1,1040 18.592,1041 -2.677,1042 11.674,1043 13.268,1044 12.767,1045 22.919,1046 10.745,1047 3.23,1048 11.983,1049 20.52,1050 -3,1051 12.878,1052 14.76,1053 14.11,1054 25.389,1055 11.876,1056 2.903,1057 11.446,1058 22.454,1059 4.144,1060 14.046,1061 16.037,1062 15.451,1063 27.83,1064 12.912,1065 2.56,1066 9.287,1067 24.393,1068 3.78,1069 15.242,1070 17.484,1071 16.793,1072 30.294,1073 14.019,1074 1.899,1075 7.936,1076 26.336,1077 3.425,1078 16.428,1079 18.813,1080 18.134,1081 32.749,1082 15.086,1083 1.485,1084 5.597,1085 28.282,1086 3.208,1087 17.625,1088 20.238,1089 19.476,1090 35.213,1091 16.186,1092 1.285,1093 3.92,1094 30.232,1095 2.499,1096 18.82,1097 21.6,1098 20.818,1099 37.675,1100 17.271,1101 4602,1102 11309,1103 14.216,1104 20.864,1105 38.582,1106 36.721,1107 38.422,1108 38,1109 37.604,1110 47.616,1111 18.174,1112 118.053,1113 34.825,1114 5.287,1115 6.482,1116 6.73,1117 5.291,1118 5.404,1119 7.144,1120 5.335,1121 19.289,1122 5.09,1123 16.512,1124 1.608,1125 1.53,1126 1.601,1127 1.583,1128 1.567,1129 1.984,1130 0.757,1131 4.919,1132 1.451,1133 4.04,1134 4.058,1135 4.008,1136 3.984,1137 8.518,1138 3.984,1139 3.825,1140 3.845,1141 3.79,1142 3.739,1143 8.509,1144 3.744,1145 3.431,1146 3.47,1147 3.475,1148 3.113,1149 7.999,1150 3.179,1151 3.309,1152 3.307,1153 3.292,1154 3.073,1155 7.999,1156 3.114,1157 3.142,1158 3.175,1159 3.112,1160 2.907,1161 7.999,1162 2.931,1163 2.802,1164 2.862,1165 2.713,1166 2.535,1167 7.999,1168 2.58,1169 2.615,1170 2.667,1171 2.474,1172 2.333,1173 7.475,1174 2.379,1175 2.508,1176 2.585,1177 2.393,1178 2.261,1179 6.351,1180 2.271,1181 0.191,1182 0.187,1183 0.299,1184 0.179,1185 0.142,1186 4.587,1187 0.173,1188 4.482,1189 0.159,1190 7.186,1191 0.499,1192 4.291,1193 0.129,1194 3.404,1195 4.144,1196 3.825,1197 11.983,1198 3.09,1199 2.004,1200 1.988,1201 2.079,1202 2.074,1203 1.225,1204 2.074,1205 1.793,1206 1.773,1207 1.884,1208 1.901,1209 0.994,1210 1.891,1211 1.179,1212 1.151,1213 1.253,1214 1.532,1215 0.318,1216 1.414,1217 1.146,1218 1.146,1219 1.224,1220 1.436,1221 0.308,1222 1.362,1223 1.012,1224 0.975,1225 1.196,1226 1.279,1227 0.227,1228 1.221,1229 0.669,1230 0.616,1231 0.918,1232 0.978,1234 0.962,1235 0.503,1236 0.461,1237 0.814,1238 0.844,1240 0.846,1241 0.439,1242 0.366,1243 0.643,1244 0.733,1246 0.753,1247 3.892,1249 5.283,1251 6.843,1253 8.472,1255 10.141,1259 76.787,1262 8.864,1269 -9.916,1272 22.417,1273 53.467,1274 90.012,1275 108.419,1276 128.07,1277 130.07,1278 130.07,1279 90.674,1280 6.567,1281 37.3,1282 37.3,1283 12,1284 12.393,1285 3.807,1286 3,1287 44.846,1288 68,1289 65,1290 0.331,1291 134.559,1292 257.06,1293 320.083,1294 4776,1295 19.4,1296 17.414,1297 0.757,1298 0.485,1299 12.414,1300 11.165,1301 10.481,1302 0.437,1303 0.255,1304 5.934,1305 9.747,1306 5.921,1307 4.807,1308 8.059,1309 6.115,1310 11.524,1311 0.311,1312 0.127,1313 7.608,1314 4.681,1315 7.558,1316 0.18,1317 0.072,1318 5.58,1319 3.031,1320 5.463,1321 0.109,1322 0.039,1323 4.695,1324 1.953,1325 4.957,1326 0.071,1327 0.02,1328 3.58,1329 1.407,1330 0.496,1331 68.542,1332 0.265,1333 21.889,1334 0.981,1335 122,1336 794.552,1337 160.462,1338 600.293,1339 736.53,1340 546,1341 140,1342 476.667,1343 164.275,1344 445.117,1345 686.64,1346 414,1347 3.49}
{0 CHEMBL192965,1 1.408,2 9.35,3 3.233,4 10.451,5 78.104,6 6.451,7 0.3,8 3.794,9 3.924,10 3.191,11 3.297,12 4.887,13 3.242,14 4.335,15 4.536,16 3.525,17 3.668,18 5.442,19 3.578,20 4.634,21 4.854,22 3.592,23 3.829,24 5.728,25 3.714,26 4.757,27 5.017,28 3.492,29 3.805,30 5.817,31 3.671,32 4.597,33 4.839,34 3.434,35 3.709,36 5.83,37 3.57,38 4.529,39 4.798,40 3.191,41 3.591,42 5.49,43 3.424,44 4.385,45 4.659,46 3.063,47 3.407,48 5.381,49 3.252,50 4.203,51 4.455,52 2.949,53 3.231,54 5.286,55 3.101,56 0.038,57 0.562,58 9.949,59 4.292,60 9.832,61 5.85,62 0.227,63 0.879,64 17.473,65 6.887,66 47.26,67 9.797,68 0.304,69 1.093,70 23.985,71 8.556,72 51.57,73 12.312,74 0.368,75 1.111,76 27.467,77 8.966,78 75.468,79 13.044,80 0.415,81 0.986,82 23.261,83 8.108,84 99.258,85 11.732,86 0.206,87 0.894,88 21.413,89 7.554,90 44.784,91 11.02,92 0.204,93 0.741,94 18.678,95 6.395,96 46.661,97 9.268,98 0.191,99 0.624,100 15.719,101 5.072,102 44.943,103 7.358,104 61,105 27,106 0.252,107 0.566,108 0.709,109 0.801,110 0.817,111 0.817,112 3.056,113 1.039,114 -3.91,115 -3.86,116 -3.66,118 37.2,119 4,120 1,121 2,126 1,137 4,138 2,150 2,158 1,161 1,162 12,166 1,169 2,171 2,172 1,174 15,175 1,179 3,182 1,183 1,184 3,187 13,192 3,193 1,197 2,200 11,201 1,203 1,204 3,207 1,209 3,212 9,213 2,217 3,222 3,225 6,226 2,231 3,236 3,239 5,240 2,245 3,250 3,253 3,254 1,259 3,264 3,267 1,268 1,272 514,273 12.483,274 12.483,275 12.483,276 12.483,277 12.483,278 11.471,279 13.991,280 7.312,281 12.526,282 9.792,283 9.792,284 9.792,285 9.792,286 9.792,287 8.187,288 12.977,289 3.438,290 9.84,291 4.019,292 2.267,293 1.466,294 0.954,295 0.861,296 0.861,297 3.682,299 1,300 1,301 1,302 360,303 4.243,307 76.287,314 1.685,315 23.69,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 43.5,327 187,328 4.216,329 3.828,330 6.345,331 3.968,332 2.967,333 3.723,334 2.376,335 9.447,336 2.967,337 3.907,338 3.667,339 5.757,340 3.643,341 2.655,342 3.174,343 1.985,344 7.576,345 2.614,346 3.745,347 2.868,348 5.443,349 3.513,350 2.513,351 2.95,352 0.368,353 7.19,354 2.503,355 3.344,356 2.61,357 4.989,358 3.058,359 2.05,360 2.525,361 0.085,362 5.528,363 2.06,364 2.974,365 2.008,366 4.406,367 2.772,368 1.766,369 2.006,371 4.482,372 1.77,373 2.5,374 1.92,375 3.748,376 2.089,377 1.104,378 1.5,380 2.624,381 1.069,382 2.377,383 1.246,384 3.414,385 2,386 1,387 1.28,389 2.275,390 1,391 1.982,392 1,393 3.126,394 1.681,395 0.655,396 0.785,398 1.486,399 0.664,400 1.131,401 0.538,402 2.513,403 0.921,404 -0.079,405 -0.09,407 -0.193,408 -0.079,409 0.763,410 0.27,411 2.177,412 0.466,413 -0.556,414 -0.646,416 -1.291,417 -0.56,418 0.5,419 0.118,420 2,421 0.165,422 -0.835,423 -0.978,425 -2,426 -0.836,427 0.434,428 -0.681,429 1.704,431 -1,432 -1,434 -2,435 -0.961,436 0.405,437 -0.827,438 1.384,440 -1,441 -1.271,443 -2.043,444 -1,446 -0.97,447 1.298,449 -1,450 -1.5,452 -3,453 -1,454 -0.164,455 -1,456 1.222,457 -0.297,458 -1.332,459 -1.572,461 -3.338,462 -1.382,463 9.4,464 0.47,465 0.693,466 0.035,467 20.25,468 1.013,469 9,470 0.45,471 11.25,472 0.563,473 18.751,474 0.938,475 23.6,476 0.549,477 14.643,478 0.732,479 3.762,480 0.188,481 5.545,482 0.277,483 0.319,485 0.372,490 0.737,491 1.306,492 0.97,493 1.223,494 0.693,495 1.143,496 0.386,497 1.162,498 0.82,499 1.104,500 0.408,501 1.042,502 0.846,503 1.154,504 1.07,505 1.159,506 0.871,507 1.15,508 1.2,509 0.906,510 1.029,511 0.902,512 1.195,513 0.931,514 0.737,515 1.095,516 1,517 1.101,518 0.787,519 1.095,520 0.812,521 1.048,522 0.983,523 1.077,524 0.824,525 1.061,526 0.955,527 0.962,528 0.913,529 0.974,530 0.938,531 0.947,532 1.23,533 1.039,534 1.064,535 1.041,536 1.198,537 1.027,538 5.5,539 0.066,540 2.667,541 1.375,542 1.062,543 0.632,544 0.466,545 0.247,546 0.189,547 0.091,548 3318,549 8889,550 1.808,551 53.5,552 12,553 5,556 2,557 1,558 3,561 1.615,562 1.622,563 3.223,564 0.311,566 1,568 1,570 60.533,571 1.408,572 3.159,573 3.961,574 4.472,575 4.565,576 4.565,577 2.709,578 3.484,579 4.288,580 3.385,581 643.179,582 7.314,583 6780.19,585 1,587 1,588 233.329,589 1.581,590 4.19,591 0.275,592 0.011,593 0.099,594 0.051,595 0.044,596 0.029,597 0.027,598 0.016,599 0.015,600 0.01,601 0.577,602 0.5,603 1,604 2.059,605 90.127,606 -0.06,607 -0.002,608 -0.014,609 0.022,610 -0.08,611 0.013,612 0.256,613 -0.007,614 0.121,615 0.018,616 0.192,617 0.041,618 0.031,619 -0.063,620 -0.099,621 -0.116,622 -0.017,623 -0.129,624 -0.132,625 0.056,626 -0.038,627 0.054,628 -0.106,629 0.028,630 0.184,631 -0.091,632 -0.032,633 -0.093,634 0.194,635 -0.096,636 -0.03,637 -0.087,638 -0.041,639 -0.092,640 -0.034,641 -0.071,642 -0.032,643 -0.046,644 0.048,645 -0.011,646 -0.018,647 0.025,648 -0.109,649 -0.083,650 -0.067,651 -0.086,652 -0.072,653 -0.07,654 2.696,655 4.947,656 0.3,657 17.64,658 0.995,659 1.132,660 2.676,661 7.161,662 0.622,663 3.045,664 3.332,665 3.434,666 3.497,667 3.611,668 3.555,669 3.611,670 3.497,671 3.219,672 3.045,673 5.673,674 0.58,675 277.4,676 3.045,677 4.554,678 5.342,679 6.18,680 6.993,681 7.832,682 8.655,683 9.494,684 10.323,685 11.164,686 2.3,693 1,701 4,706 2,708 6,724 43,726 8,727 1,728 20,730 43,731 16,732 6,733 2,734 4,737 1,738 1,743 4,749 2,751 8,752 8,753 2,754 2,758 2,761 2,763 1,764 1,767 23,768 4,769 2,770 4,773 1,777 1,778 3,789 1,798 1,800 1,808 1,810 1,815 4,819 20,826 1,827 1,828 1,831 3,839 7,841 1,842 2,846 12.333,847 8.617,848 4.5,849 2.71,850 1.258,851 1.216,852 0.863,853 6.058,854 7.076,855 3.258,856 3.726,857 4.065,858 4.435,859 4.885,860 4.885,861 5.131,862 5.124,863 4.766,864 4.691,865 1,866 27,867 7.434,869 3.033,870 0.006,871 8.033,872 13.966,874 10.932,876 2.533,877 50.667,881 247.193,882 87.726,883 18.011,885 92.973,888 87.726,889 340.166,890 18.011,891 35.301,892 20.545,893 37.905,894 98.588,895 6.371,897 247.193,899 247.193,900 105.737,901 92.973,904 211.88,905 128.287,908 55.846,909 49.891,912 247.193,913 110.984,914 87.726,917 247.193,918 14.52,919 73.206,920 18.011,921 92.973,922 247.193,923 110.984,924 87.726,926 0.585,927 0.314,928 0.137,929 0.073,930 10,931 7,932 0.14,933 6,935 1,936 3.096,937 131.054,939 6,940 80.439,944 16.548,945 7.322,946 5.191,948 110.984,949 7.931,954 2.142,956 60.694,957 445.903,958 25,962 22.673,965 -1.297,967 42.803,968 48.694,969 0.259,970 0.582,971 0.73,972 0.824,973 0.841,974 0.841,975 4.483,976 0.655,977 5.352,978 2.275,979 4.007,980 4.407,981 2.838,982 6.098,983 3.998,984 5.667,985 -0.079,986 6.899,987 1.486,988 3.761,989 4.248,990 2.591,991 6.934,992 3.753,993 6.946,994 -0.556,995 8.541,996 -0.193,997 5.557,998 6.392,999 4.12,1000 9.921,1001 5.537,1002 8.252,1003 -0.835,1004 10.235,1005 -1.291,1006 6.019,1007 6.915,1008 4.473,1009 11.492,1010 6.001,1011 9.582,1012 -1,1013 11.959,1014 -2,1015 7.372,1016 8.653,1017 5.608,1018 14.035,1019 7.344,1020 10.929,1021 -1,1022 13.704,1023 -2,1024 8.141,1025 9.478,1026 6.22,1027 15.933,1028 8.114,1029 12.289,1030 -1,1031 15.464,1032 -2.043,1033 9.321,1034 11.047,1035 7.194,1036 18.302,1037 9.287,1038 2.967,1039 -1.332,1040 17.237,1041 -3,1042 10.236,1043 12.038,1044 7.929,1045 20.364,1046 10.204,1047 2.655,1048 9.447,1049 19.019,1050 -3.338,1051 11.344,1052 13.517,1053 8.834,1054 22.66,1055 11.307,1056 2.513,1057 7.576,1058 20.808,1059 3.723,1060 12.332,1061 14.612,1062 9.63,1063 24.807,1064 12.297,1065 2.05,1066 7.19,1067 22.605,1068 3.174,1069 13.412,1070 16.034,1071 10.507,1072 27.072,1073 13.374,1074 1.766,1075 5.528,1076 24.407,1077 2.95,1078 14.437,1079 17.199,1080 11.334,1081 29.264,1082 14.401,1083 1.104,1084 4.482,1085 26.215,1086 2.525,1087 15.507,1088 18.585,1089 12.199,1090 31.515,1091 15.47,1092 1,1093 2.624,1094 28.026,1095 2.006,1096 16.554,1097 19.798,1098 13.042,1099 33.731,1100 16.518,1101 3624,1102 6066,1103 11.849,1104 26.745,1105 30.088,1106 31.107,1107 31.259,1108 29.448,1109 29.421,1110 35.885,1111 9.627,1112 81.216,1113 29.295,1114 5.114,1115 5.828,1116 5.76,1117 4.968,1118 4.967,1119 6.723,1120 3.99,1121 16.204,1122 4.967,1123 14.55,1124 1.504,1125 1.555,1126 1.563,1127 1.472,1128 1.471,1129 1.794,1130 0.481,1131 4.061,1132 1.465,1133 3.983,1134 4.014,1135 3.914,1136 3.922,1137 7.474,1138 3.915,1139 3.739,1140 3.785,1141 3.652,1142 3.572,1143 7.428,1144 3.575,1145 3.632,1146 3.689,1147 3.49,1148 3.475,1149 6.351,1150 3.477,1151 3.438,1152 3.487,1153 3.315,1154 3.28,1155 4.727,1156 3.275,1157 3.031,1158 3.057,1159 2.895,1160 2.746,1161 4.211,1162 2.749,1163 2.95,1164 3.032,1165 2.738,1166 2.735,1167 4.149,1168 2.715,1169 2.895,1170 3.009,1171 2.687,1172 2.649,1173 3.925,1174 2.682,1175 2.874,1176 2.989,1177 2.639,1178 2.631,1179 3.674,1180 2.639,1181 0.211,1182 0.191,1183 0.317,1184 0.198,1185 0.148,1186 4.216,1187 0.186,1188 3.828,1189 0.119,1190 6.345,1191 0.472,1192 3.968,1193 0.148,1194 2.967,1195 3.723,1196 2.376,1197 9.447,1198 2.967,1199 1.966,1200 1.94,1201 2.097,1202 2.052,1203 1.325,1204 2.067,1205 1.704,1206 1.652,1207 1.937,1208 1.899,1209 1.162,1210 1.904,1211 1.607,1212 1.555,1213 1.831,1214 1.805,1215 0.988,1216 1.822,1217 1.427,1218 1.373,1219 1.704,1220 1.621,1221 0.844,1222 1.647,1223 0.937,1224 0.853,1225 1.417,1226 1.272,1227 0.475,1228 1.308,1229 0.934,1230 0.821,1231 1.309,1232 1.24,1233 0.469,1234 1.258,1235 0.891,1236 0.815,1237 1.231,1238 1.239,1239 0.236,1240 1.22,1241 0.886,1242 0.804,1243 1.181,1244 1.159,1245 0.218,1246 1.187,1247 3.714,1249 5.004,1251 6.463,1253 7.995,1255 9.565,1257 7.564,1262 8.789,1263 1.011,1264 2.486,1267 -0.631,1272 24.961,1273 60.533,1274 135.843,1275 170.31,1276 192.31,1277 196.31,1278 196.31,1279 64.676,1280 5.817,1281 66.4,1282 66.4,1283 6,1284 11.731,1285 3.17,1286 2.585,1287 49.788,1288 67,1289 62,1290 0.373,1291 161.001,1292 286.27,1293 384.601,1294 1872,1296 15.284,1297 0.764,1298 0.626,1299 15.284,1300 12.512,1301 9.307,1302 0.465,1303 0.346,1304 6.868,1305 9.034,1306 6.521,1307 5.56,1308 9.307,1309 6.929,1310 8.704,1311 0.322,1312 0.209,1313 8.704,1314 5.63,1315 6.219,1316 0.207,1317 0.108,1318 6.219,1319 3.246,1320 4.154,1321 0.13,1322 0.061,1323 4.154,1324 1.965,1325 3.057,1326 0.085,1327 0.034,1328 3.057,1329 1.227,1330 0.587,1331 57.985,1332 0.291,1333 20.211,1334 1.013,1335 94,1336 281.954,1337 102.696,1338 271.121,1339 348.26,1340 248,1341 104,1342 236.275,1343 111.425,1344 240.486,1345 342,1346 224,1347 4.6}
{0 CHEMBL192999,1 1.6,2 7.059,3 4.282,4 18.332,5 67.562,6 10.684,7 0.667,8 3.333,9 3.389,10 3.189,11 3.055,12 4.638,13 3.027,14 3.752,15 3.82,16 3.598,17 3.427,18 5.216,19 3.376,20 4.007,21 4.123,22 3.68,23 3.545,24 5.312,25 3.461,26 3.985,27 4.114,28 3.724,29 3.426,30 5.356,31 3.333,32 3.841,33 3.997,34 3.316,35 3.229,36 5.118,37 3.136,38 3.678,39 3.838,40 3.251,41 3.034,42 5.009,43 2.944,44 3.475,45 3.603,46 3.172,47 2.652,48 5.157,49 2.602,50 2.947,51 3.107,52 2.378,53 2.028,54 4.39,55 1.937,56 0.086,57 0.247,58 1.702,59 1.79,60 12.429,61 1.943,62 0.186,63 0.38,64 2.757,65 2.877,66 31.511,67 3.328,68 0.242,69 0.499,70 10.593,71 4.51,72 30.217,73 5.134,74 0.351,75 0.495,76 14.537,77 4.692,78 47.204,79 4.91,80 0.262,81 0.442,82 12.012,83 4.254,84 36.314,85 4.819,86 0.22,87 0.377,88 8.691,89 3.615,90 31.7,91 4.076,92 0.358,93 0.277,94 11.592,95 3.119,96 45.522,97 2.926,98 0.206,99 0.166,100 7.514,101 1.964,102 34.062,103 1.66,104 18,105 25,106 0.317,107 0.54,108 0.711,109 0.883,110 0.921,111 0.921,112 2.908,113 0.937,114 -5.54,115 -5.41,116 -5.05,118 52,137 7,138 3,139 2,150 1,158 1,161 1,162 9,163 1,166 1,169 1,171 1,174 16,175 2,179 2,184 2,187 13,188 2,192 2,197 2,200 12,201 2,204 2,209 2,212 8,213 1,217 1,222 1,225 5,226 3,231 3,236 3,239 2,253 1,254 1,259 1,264 1,272 301,273 11.069,274 11.069,275 11.069,276 11.069,277 11.069,278 9.435,279 5.48,280 6.468,281 11.321,282 8.856,283 8.856,284 8.856,285 8.856,286 8.856,287 6.445,288 3.574,289 3.043,290 9.357,291 3.044,292 1.922,293 1.056,294 0.19,297 3.556,298 2,300 1,301 1,302 245,303 2.345,307 106.206,314 1.017,315 20.869,318 0.75,319 1,320 1,321 0.4,323 1,324 1,325 0.74,326 36.667,327 120,328 4.413,329 3.579,330 6.477,331 4.016,332 3.043,333 4.101,334 1.437,335 10.06,336 2.961,337 4.082,338 3.258,339 5.917,340 3.681,341 2.702,342 3.641,344 8.18,345 2.624,346 3.649,347 2.776,348 5.226,349 3.2,350 2.277,351 3.019,353 6.429,354 2.042,355 3.229,356 2.421,357 4.739,358 2.719,359 1.824,360 2.481,362 4.947,363 1.572,364 2.872,365 1.871,366 4.025,367 2.375,368 1.423,369 2.002,371 3.417,372 1.276,373 2.598,374 1.318,375 3.688,376 2.091,377 1.104,378 1.63,380 2.714,381 1.073,382 2.529,383 1.113,384 3.435,385 2.005,386 1,387 1.475,389 2.322,390 0.994,391 1.319,392 0.439,393 2.706,394 0.867,400 0.801,401 0.403,402 2.359,403 0.302,404 -0.514,405 -0.621,407 -1.242,408 -0.293,409 0.769,410 0.256,411 2,412 0.267,413 -0.696,414 -0.927,416 -1.673,417 -0.651,418 0.602,419 -0.588,420 2,421 0.115,422 -0.855,423 -1.154,425 -2,426 -0.8,427 0.409,428 -0.759,429 1.543,430 -0.018,431 -1,432 -1.431,434 -2.421,435 -0.981,436 0.095,437 -1.061,438 1.375,439 -0.424,440 -1.21,441 -1.669,443 -3.287,444 -1.061,445 -0.227,446 -1.194,447 1.339,448 -0.691,449 -1.508,450 -1.956,452 -4.043,453 -1.177,454 -0.477,455 -1.566,456 1,457 -0.777,458 -1.679,459 -2.155,461 -5.24,462 -1.678,463 8.595,464 0.506,465 0.511,466 0.03,467 23.5,468 1.382,469 13.5,470 0.794,471 10,472 0.588,473 10.712,474 0.63,475 17.205,476 0.688,477 15.155,478 0.891,479 4.823,480 0.284,481 3.253,482 0.191,483 0.244,485 0.349,490 0.673,491 0.799,492 0.495,493 0.618,494 0.731,495 0.656,496 0.454,497 0.986,498 0.591,499 0.778,500 0.406,501 0.85,502 0.837,503 1.067,504 1.012,505 1.033,506 0.747,507 1.057,508 1.048,509 1.043,510 0.915,511 0.965,512 1.087,513 1.049,514 0.985,515 1.024,516 1.016,517 1.044,518 0.978,519 1.066,520 1.04,521 1.128,522 0.882,523 0.963,524 1.052,525 0.997,526 1.445,527 1.066,528 1.463,529 1.386,530 1.483,531 1.161,532 2.426,533 0.803,534 1.739,535 0.991,536 2.598,537 1.018,538 4,540 2.222,541 1.313,542 0.796,543 0.625,544 0.384,545 0.137,546 0.111,548 2082,549 9367,550 1.96,551 32,553 7,556 1,561 1.572,562 1.789,563 2.86,564 -0.256,570 39.991,571 1.6,572 2.722,573 3.588,574 4.454,575 4.644,576 4.644,577 2.257,578 3.735,579 4.061,580 2.929,581 398.396,582 6.878,583 3548.85,585 1,587 1,588 116.096,589 1.549,590 3.989,591 0.222,593 0.089,594 0.052,595 0.038,596 0.037,597 0.027,598 0.014,599 0.028,601 0.507,602 0.83,603 0.88,604 0.972,605 69.488,606 -0.074,607 0.125,608 -0.017,609 0.101,610 -0.133,611 0.066,612 0.168,613 -0.068,614 0.004,615 -0.015,616 0.216,617 -0.078,618 -0.093,619 -0.133,620 -0.123,621 -0.132,622 -0.043,623 -0.132,624 -0.087,625 -0.083,626 0.058,627 0.006,628 -0.128,629 -0.078,630 -0.117,631 -0.045,632 -0.089,633 -0.055,634 -0.111,635 -0.029,636 -0.091,637 -0.142,638 0.069,639 0.054,640 -0.072,641 0.06,642 0.084,643 -0.087,644 -0.088,645 -0.26,646 0.085,647 -0.115,648 -0.629,649 0.231,650 -0.276,651 0.255,652 -0.666,653 0.122,654 2.628,655 3.869,656 0.706,657 9.571,658 1.029,659 1.095,660 4.306,661 18.541,662 0.777,663 2.944,664 3.258,665 3.466,666 3.664,667 3.85,668 3.829,669 3.784,670 3.689,671 3.611,672 3.332,673 4.301,674 0.749,675 267.11,676 2.944,677 4.466,678 5.293,679 6.159,680 7.008,681 7.877,682 8.732,683 9.602,684 10.46,685 11.331,701 7,706 5,708 12,716 1,723 2,724 25,726 13,727 2,728 18,730 26,731 13,732 12,733 5,734 7,735 1,737 2,738 2,739 2,751 13,754 1,758 1,761 1,764 1,767 8,768 2,769 1,770 4,771 2,777 1,778 2,789 2,808 1,810 2,816 2,819 17,826 1,838 2,839 8,841 1,842 1,846 9.5,847 4.486,848 3.75,849 1.351,850 2.427,851 1.406,852 0.949,853 3.478,854 8.4,855 3.258,856 3.871,857 4.425,858 4.977,859 5.524,860 5.714,861 6.025,862 6.263,863 6.529,864 6.646,865 0.8,866 25,867 6.217,869 2.634,870 0.006,871 8.16,872 11.37,874 9.055,876 2.66,877 45.222,878 0.001,881 82.398,882 83.802,884 78.297,885 67.828,888 83.802,889 228.523,893 66.334,894 68.738,895 16.558,897 82.398,898 78.297,899 82.398,900 83.802,901 67.828,902 78.297,904 82.398,905 67.828,909 83.802,910 78.297,912 82.398,913 67.828,914 162.099,917 82.398,918 17.468,919 66.334,921 146.126,922 82.398,923 67.828,924 162.099,926 0.586,927 0.334,928 0.17,929 0.093,930 12,931 6,932 0.077,933 2,935 1,936 2.846,937 115.155,939 12,940 69.487,944 12.115,945 4.88,946 2.666,948 67.828,949 11.728,954 2.799,956 42.683,957 312.325,958 25,962 10.869,965 -0.961,967 25.72,968 27.383,969 0.344,970 0.586,971 0.773,972 0.959,973 1,974 1,975 4.466,977 5.293,978 2.322,979 3.932,980 4.554,981 1.635,982 6.084,983 3.831,984 5.695,985 -0.514,986 6.851,988 3.611,989 4.388,991 6.974,992 3.386,993 7.006,994 -0.696,995 8.508,996 -1.242,997 5.509,998 6.753,999 2.253,1000 10.029,1001 5.354,1002 8.349,1003 -0.855,1004 10.221,1005 -1.673,1006 5.943,1007 7.332,1009 11.714,1010 5.694,1011 9.72,1012 -1,1013 11.968,1014 -2,1015 7.37,1016 9.213,1017 2.922,1018 14.296,1019 7.17,1020 11.11,1021 -1.21,1022 13.739,1023 -2.421,1024 8.149,1025 10.157,1027 16.318,1028 7.881,1029 12.516,1030 -1.508,1031 15.527,1032 -3.287,1033 9.38,1034 11.811,1035 3.619,1036 18.726,1037 9.134,1038 3.043,1039 -1.679,1040 17.329,1041 -4.043,1042 10.323,1043 12.952,1045 20.9,1046 10.028,1047 2.702,1048 10.06,1049 19.14,1050 -5.24,1051 11.472,1052 14.487,1053 4.33,1054 23.24,1055 11.179,1056 2.277,1057 8.18,1058 20.96,1059 4.101,1060 12.495,1061 15.739,1063 25.482,1064 12.162,1065 1.824,1066 6.429,1067 22.786,1068 3.641,1069 13.61,1070 17.21,1071 5.047,1072 27.798,1073 13.267,1074 1.423,1075 4.947,1076 24.617,1077 3.019,1078 14.672,1079 18.526,1081 30.073,1082 14.296,1083 1.104,1084 3.417,1085 26.453,1086 2.481,1087 15.775,1088 19.964,1089 5.769,1090 32.38,1091 15.382,1092 1,1093 2.714,1094 28.292,1095 2.002,1096 16.856,1097 21.317,1099 34.67,1100 16.433,1101 2179,1102 4686,1103 11.444,1104 19.432,1105 27.298,1106 27.975,1107 28.125,1108 27.11,1109 26.744,1110 36.698,1111 2.873,1112 76.135,1113 25.086,1114 5.076,1115 5.579,1116 6.021,1117 5.016,1118 5.043,1119 7.101,1120 2.873,1121 16.852,1122 4.961,1123 9.564,1124 1.517,1125 1.554,1126 1.563,1127 1.506,1128 1.486,1129 2.039,1130 0.16,1131 4.23,1132 1.394,1133 4.012,1134 4.026,1135 4.115,1136 3.975,1137 7.475,1138 3.968,1139 3.774,1140 3.789,1141 3.829,1142 3.717,1143 6.351,1144 3.71,1145 3.276,1146 3.262,1147 3.576,1148 3.05,1149 5.027,1150 3.084,1151 2.958,1152 2.988,1153 3.248,1154 2.883,1155 4.688,1156 2.869,1157 2.877,1158 2.921,1159 3.044,1160 2.792,1161 4.596,1162 2.765,1163 2.645,1164 2.686,1165 2.642,1166 2.486,1167 4.071,1168 2.471,1169 2.511,1170 2.56,1171 2.446,1172 2.301,1173 3.604,1174 2.324,1175 2.019,1176 2.061,1177 2.326,1178 1.482,1179 3.508,1180 1.427,1181 0.245,1182 0.199,1183 0.36,1184 0.223,1185 0.169,1186 4.413,1187 0.228,1188 3.579,1189 0.08,1190 6.477,1191 0.559,1192 4.016,1193 0.165,1194 3.043,1195 4.101,1196 1.437,1197 10.06,1198 2.961,1199 1.987,1200 1.973,1201 2.056,1202 2.043,1203 1.194,1204 2.052,1205 1.757,1206 1.74,1207 1.838,1208 1.834,1209 0.942,1210 1.845,1211 1.123,1212 1.126,1213 1.247,1214 1.415,1215 0.259,1216 1.349,1217 0.947,1218 0.913,1219 1.139,1220 1.066,1221 0.226,1222 1.1,1223 0.868,1224 0.824,1225 1.089,1226 1.012,1227 0.164,1228 1.055,1229 0.568,1230 0.538,1231 0.824,1232 0.85,1234 0.86,1235 0.466,1236 0.42,1237 0.717,1238 0.658,1240 0.707,1243 0.346,1244 0.392,1246 0.342,1247 3.611,1249 4.92,1251 6.428,1253 8.025,1255 9.666,1258 11.872,1262 8.915,1272 18.719,1273 39.991,1274 68.039,1275 89.69,1276 111.342,1277 116.096,1278 116.096,1279 29.421,1280 5.974,1281 37.3,1282 37.3,1283 12,1284 11.876,1285 3.807,1286 3,1287 28.326,1288 43,1289 41,1290 0.337,1291 124.851,1292 216.46,1293 296.395,1294 2328,1295 8,1296 12.414,1297 0.73,1298 0.598,1299 13.414,1300 10.165,1301 8.075,1302 0.449,1303 0.312,1304 4.896,1305 7.332,1306 4.718,1307 3.891,1308 8.653,1309 5.621,1310 7.49,1311 0.3,1312 0.174,1313 8.269,1314 4.354,1315 5.801,1316 0.187,1317 0.094,1318 6.396,1319 2.899,1320 4.65,1321 0.122,1322 0.054,1323 5.399,1324 2.061,1325 3.543,1326 0.077,1327 0.027,1328 3.922,1329 1.255,1330 0.504,1331 55.958,1332 0.296,1333 16.86,1334 0.99,1335 86,1336 294.292,1337 121.467,1338 347.223,1339 439.75,1340 318,1341 99,1342 263.392,1343 123.791,1344 289.161,1345 419.09,1346 271,1347 4.38}
{0 CHEMBL193114,1 1.56,2 6.529,3 1.939,4 3.759,5 64.347,6 8.188,7 0.667,8 3.447,9 3.538,10 3.053,11 3.019,12 4.79,13 3.022,14 3.834,15 3.933,16 3.4,17 3.377,18 5.282,19 3.357,20 4.102,21 4.246,22 3.443,23 3.484,24 5.412,25 3.445,26 4.174,27 4.353,28 3.347,29 3.383,30 5.64,31 3.325,32 4.04,33 4.247,34 3.113,35 3.227,36 5.274,37 3.158,38 3.849,39 4.052,40 2.965,41 3.005,42 5.168,43 2.952,44 3.719,45 3.922,46 2.724,47 2.665,48 5.106,49 2.647,50 3.367,51 3.583,52 2.387,53 2.147,54 5.065,55 2.135,56 0.102,57 0.361,58 4.882,59 2.475,60 19.78,61 2.627,62 0.159,63 0.529,64 7.164,65 3.987,66 32.734,67 4.639,68 0.171,69 0.68,70 10.752,71 5.081,72 31.845,73 5.975,74 0.422,75 0.688,76 13.6,77 5.418,78 77.987,79 6.652,80 0.257,81 0.606,82 12.513,83 4.793,84 49.497,85 5.978,86 0.181,87 0.507,88 9.987,89 3.807,90 30.282,91 4.775,92 0.255,93 0.409,94 9.705,95 3.097,96 49.136,97 3.575,98 0.273,99 0.277,100 7.135,101 2.076,102 50.929,103 2.613,104 18,105 25,106 0.302,107 0.584,108 0.739,109 0.902,110 0.916,111 0.916,112 2.909,113 0.833,114 -3.88,115 -3.84,116 -3.65,118 46.4,137 7,138 3,139 2,150 1,154 1,155 1,156 1,158 1,161 1,162 9,163 1,166 1,169 1,171 5,174 12,175 1,176 2,179 1,184 5,185 1,187 11,188 2,190 2,192 2,195 1,196 1,197 5,200 7,201 2,202 2,204 2,209 5,212 4,213 2,214 2,217 2,222 6,225 2,226 1,228 2,231 1,236 2,237 1,240 1,243 1,245 1,247 1,248 1,249 2,250 2,252 2,272 297,273 11.069,274 11.069,275 11.069,276 11.069,277 11.069,278 9.435,279 7.597,280 6.47,281 11.127,282 8.856,283 8.856,284 8.856,285 8.856,286 8.856,287 6.445,288 5.911,289 3.046,290 8.969,291 3.247,292 1.788,293 0.988,294 0.143,295 0.071,296 0.071,297 3.556,300 1,301 1,302 226,303 2.345,307 107.155,314 1.087,315 23.708,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 37.5,327 111,328 4.408,329 3.613,330 6.414,331 4.027,332 3.035,333 4.09,334 1.437,335 9.803,336 3.007,337 4.102,338 2.919,339 6.076,340 3.723,341 2.732,342 3.674,344 8.737,345 2.702,346 3.598,347 2.632,348 5.042,349 3.201,350 2.217,351 2.974,353 6.047,354 2.178,355 3.283,356 2.282,357 4.701,358 2.851,359 1.875,360 2.495,362 4.767,363 1.809,364 2.861,365 1.495,366 4.238,367 2.399,368 1.414,369 2.017,371 3.805,372 1.39,373 2.588,374 1.332,375 3.606,376 2.098,377 1.102,378 1.63,380 2.527,381 1.097,382 2.532,383 1.118,384 3.472,385 2.005,386 1,387 1.475,389 2.416,390 0.994,391 1.279,392 0.487,393 2.669,394 0.902,395 -0.048,396 -0.06,398 -0.112,399 -0.045,400 0.928,401 0.235,402 2.316,403 0.555,404 -0.408,405 -0.513,407 -0.909,408 -0.391,409 0.712,410 -0.248,411 2,412 0.269,413 -0.732,414 -0.952,416 -2,417 -0.72,418 0.588,419 -0.667,420 2,421 0.116,422 -0.875,423 -1.189,425 -2.075,426 -0.854,427 0.408,428 -0.782,429 1.59,430 -0.018,431 -1,432 -1.432,434 -2.542,435 -0.981,436 -0.007,437 -1.133,438 1.429,439 -0.328,440 -1.279,441 -1.709,443 -3.329,444 -1.214,445 -0.11,446 -1.291,447 1.228,448 -0.461,449 -1.414,450 -1.896,452 -3.468,453 -1.357,454 -0.5,455 -1.582,456 1.067,457 -0.729,458 -1.711,459 -2.162,461 -5.341,462 -1.708,463 7.9,464 0.465,465 0.511,466 0.03,467 24.5,468 1.441,469 14.5,470 0.853,471 10,472 0.588,473 9.011,474 0.53,475 17.9,476 0.639,477 16.893,478 0.994,479 5.14,480 0.302,481 2.935,482 0.173,483 0.177,485 0.38,490 0.947,491 0.764,492 0.806,493 0.725,494 0.946,495 0.716,496 0.442,497 1.061,498 0.709,499 1.04,500 0.438,501 0.964,502 0.795,503 1.157,504 0.969,505 1.174,506 0.792,507 1.124,508 0.766,509 1.048,510 0.989,511 1.075,512 0.779,513 1.088,514 0.948,515 0.986,516 0.989,517 0.984,518 0.972,519 0.996,520 0.92,521 1.172,522 0.983,523 1.151,524 0.899,525 1.091,526 1.588,527 1.096,528 1.165,529 1.027,530 1.594,531 0.998,532 1.225,533 0.934,534 1.037,535 1.015,536 1.185,537 1.005,538 4,540 2.222,541 1.188,542 0.876,543 0.653,544 0.284,545 0.234,546 0.061,548 2078,549 7401,550 1.96,551 39.3,553 7,556 4,561 1.573,562 1.789,563 2.789,564 2.063,566 1,568 1,570 43.692,571 1.56,572 3.02,573 3.82,574 4.664,575 4.736,576 4.736,577 2.184,578 3.572,579 4.062,580 2.889,581 392.886,582 6.881,583 3537,585 1,587 1,588 134.606,589 1.549,590 3.989,591 0.222,593 0.089,594 0.047,595 0.042,596 0.038,597 0.02,598 0.023,599 0.01,601 0.493,602 0.5,603 1,604 0.972,605 69.435,606 -0.19,607 0.317,608 -0.071,609 0.258,610 -0.229,611 0.16,612 0.177,613 -0.044,614 0.03,615 -0.031,616 0.187,617 -0.037,618 -0.07,619 -0.161,620 -0.132,621 -0.194,622 -0.066,623 -0.18,624 0.176,625 -0.108,626 -0.024,627 -0.102,628 0.153,629 -0.111,630 -0.089,631 -0.049,632 0.004,633 -0.007,634 -0.093,635 0.016,636 -0.055,637 -0.21,638 0.004,639 -0.197,640 -0.021,641 -0.102,642 -0.247,643 -0.179,644 -0.053,645 -0.102,646 -0.255,647 -0.044,648 0.284,649 -0.005,650 0.159,651 -0.121,652 0.322,653 -0.058,654 2.826,655 3.888,656 0.706,657 9.848,658 1.018,659 1.114,660 2.654,661 7.042,662 0.685,663 2.944,664 3.258,665 3.466,666 3.664,667 3.85,668 3.807,669 3.807,670 3.761,671 3.555,672 3.434,673 4.272,674 0.671,675 229.25,676 2.944,677 4.466,678 5.293,679 6.159,680 7.008,681 7.876,682 8.731,683 9.6,684 10.459,685 11.328,686 3.6,690 1,701 7,706 5,708 12,716 1,717 1,721 1,724 28,726 13,727 2,728 18,730 29,731 13,732 12,733 5,734 7,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,767 11,768 4,769 4,770 4,773 1,777 1,778 3,789 2,808 1,810 2,819 17,820 1,826 2,839 10.7,841 2,842 1,846 9.5,847 4.733,848 3.75,849 1.413,850 2.381,851 1.399,852 0.924,853 3.021,854 8.344,855 3.258,856 3.871,857 4.425,858 4.977,859 5.524,860 5.703,861 6.049,862 6.32,863 6.512,864 6.711,865 1,866 25,867 6.239,869 2.68,870 0.006,871 8.265,872 11.292,874 8.994,876 2.765,877 47,878 0.001,881 82.398,882 79.557,883 32.897,885 110.512,888 79.557,889 192.909,890 32.897,893 99.231,894 111.421,895 12.313,897 82.398,899 82.398,900 112.454,901 110.512,904 82.398,905 110.512,909 112.454,912 82.398,913 143.409,914 79.557,917 82.398,918 13.223,919 66.334,921 143.409,922 82.398,923 143.409,924 79.557,926 0.586,927 0.334,928 0.172,929 0.093,930 12,931 6,932 0.069,933 2,935 1,936 2.845,937 115.189,939 12,940 69.487,944 11.484,945 4.473,946 2.397,948 143.409,949 11.553,954 1.752,956 118.264,957 305.364,958 25,962 10.888,965 -1.159,967 28.502,968 31.203,969 0.325,970 0.628,971 0.795,972 0.97,973 0.985,974 0.985,975 4.466,976 -0.048,977 5.293,978 2.416,979 3.932,980 4.554,981 1.635,982 6.084,983 3.906,984 5.695,985 -0.408,986 6.851,987 -0.112,988 3.611,989 4.388,991 6.974,992 3.554,993 7.006,994 -0.732,995 8.508,996 -0.909,997 5.509,998 6.753,999 2.253,1000 10.027,1001 5.466,1002 8.349,1003 -0.875,1004 10.221,1005 -2,1006 5.943,1007 7.332,1009 11.705,1010 5.871,1011 9.72,1012 -1,1013 11.968,1014 -2.075,1015 7.37,1016 9.213,1017 2.922,1018 14.277,1019 7.309,1020 11.11,1021 -1.279,1022 13.739,1023 -2.542,1024 8.149,1025 10.157,1027 16.284,1028 8.065,1029 12.516,1030 -1.414,1031 15.527,1032 -3.329,1033 9.38,1034 11.81,1035 3.619,1036 18.671,1037 9.301,1038 3.035,1039 -1.711,1040 17.327,1041 -3.468,1042 10.323,1043 12.95,1045 20.821,1046 10.227,1047 2.732,1048 9.803,1049 19.138,1050 -5.341,1051 11.471,1052 14.484,1053 4.33,1054 23.133,1055 11.374,1056 2.217,1057 8.737,1058 20.955,1059 4.09,1060 12.492,1061 15.734,1063 25.346,1064 12.381,1065 1.875,1066 6.047,1067 22.778,1068 3.674,1069 13.606,1070 17.204,1071 5.047,1072 27.63,1073 13.491,1074 1.414,1075 4.767,1076 24.606,1077 2.974,1078 14.665,1079 18.517,1081 29.872,1082 14.539,1083 1.102,1084 3.805,1085 26.437,1086 2.495,1087 15.767,1088 19.953,1089 5.769,1090 32.146,1091 15.633,1092 1,1093 2.527,1094 28.271,1095 2.017,1096 16.845,1097 21.302,1099 34.402,1100 16.701,1101 2173,1102 4172,1103 11.444,1104 19.176,1105 27.3,1106 27.737,1107 28.21,1108 26.845,1109 26.752,1110 36.712,1111 2.873,1112 76.203,1113 26.355,1114 5.062,1115 5.613,1116 5.966,1117 5.027,1118 5.035,1119 7.09,1120 2.873,1121 16.189,1122 5.007,1123 9.517,1124 1.517,1125 1.541,1126 1.567,1127 1.491,1128 1.486,1129 2.04,1130 0.16,1131 4.233,1132 1.464,1133 4.015,1134 4.034,1135 3.971,1136 3.962,1137 7.475,1138 3.961,1139 3.783,1140 3.807,1141 3.728,1142 3.7,1143 6.469,1144 3.702,1145 3.28,1146 3.272,1147 3.231,1148 3.043,1149 6.35,1150 3.082,1151 3.063,1152 3.147,1153 2.952,1154 2.867,1155 5.113,1156 2.878,1157 2.956,1158 3.002,1159 2.82,1160 2.795,1161 4.641,1162 2.79,1163 2.648,1164 2.699,1165 2.497,1166 2.435,1167 4.364,1168 2.438,1169 2.623,1170 2.681,1171 2.458,1172 2.318,1173 3.64,1174 2.365,1175 2.375,1176 2.51,1177 2.066,1178 1.989,1179 3.555,1180 1.987,1181 0.245,1182 0.201,1183 0.356,1184 0.224,1185 0.169,1186 4.408,1187 0.227,1188 3.613,1189 0.08,1190 6.414,1191 0.545,1192 4.027,1193 0.167,1194 3.035,1195 4.09,1196 1.437,1197 9.803,1198 3.007,1199 1.989,1200 1.972,1201 2.073,1202 2.061,1203 1.191,1204 2.066,1205 1.763,1206 1.741,1207 1.87,1208 1.876,1209 0.937,1210 1.873,1211 1.13,1212 1.129,1213 1.284,1214 1.425,1215 0.248,1216 1.362,1217 1.003,1218 0.944,1219 1.247,1220 1.306,1221 0.226,1222 1.302,1223 0.938,1224 0.88,1225 1.165,1226 1.139,1227 0.183,1228 1.14,1229 0.603,1230 0.544,1231 0.923,1232 0.903,1234 0.897,1235 0.503,1236 0.473,1237 0.835,1238 0.868,1240 0.889,1241 0.361,1242 0.201,1243 0.805,1244 0.718,1246 0.765,1247 3.611,1249 4.92,1251 6.428,1253 8.025,1255 9.666,1261 5.658,1262 18.308,1272 18.8,1273 43.692,1274 84.548,1275 106.954,1276 130.606,1277 132.606,1278 132.606,1279 32.406,1280 5.964,1281 83.55,1282 83.55,1283 12,1284 11.874,1285 3.807,1286 3,1287 28.31,1288 43,1289 36,1290 0.338,1291 118.975,1292 205.83,1293 282.06,1294 2272,1296 12.414,1297 0.73,1298 0.525,1299 12.414,1300 8.921,1301 8.075,1302 0.449,1303 0.278,1304 4.945,1305 7.829,1306 4.841,1307 4.033,1308 8.075,1309 4.999,1310 7.49,1311 0.3,1312 0.147,1313 7.49,1314 3.663,1315 5.799,1316 0.187,1317 0.079,1318 5.799,1319 2.447,1320 4.657,1321 0.123,1322 0.042,1323 4.657,1324 1.605,1325 3.574,1326 0.078,1327 0.023,1328 3.574,1329 1.058,1330 0.505,1331 50.473,1332 0.296,1333 16.843,1334 0.994,1335 86,1336 283.347,1337 93.559,1338 277.937,1339 364.75,1340 254,1341 99,1342 257.542,1343 105.148,1344 264.09,1345 379.91,1346 247,1347 3.44}
{0 CHEMBL193949,1 1.404,2 5,3 2.361,4 5.575,5 48.701,6 7.209,7 0.462,8 3.292,9 3.389,10 2.776,11 2.804,12 4.548,13 2.782,14 3.747,15 3.904,16 3.117,17 3.151,18 5.091,19 3.103,20 3.998,21 4.174,22 3.169,23 3.275,24 5.226,25 3.207,26 4.112,27 4.325,28 3.05,29 3.175,30 5.525,31 3.074,32 3.947,33 4.209,34 2.641,35 2.902,36 5.017,37 2.77,38 3.596,39 3.814,40 2.386,41 2.439,42 4.953,43 2.374,44 3.399,45 3.597,46 1.216,47 1.804,48 4.836,49 1.732,50 2.455,51 2.918,52 0.081,53 1.008,54 2.565,55 0.606,56 0.064,57 0.305,58 5.295,59 2.539,60 13.007,61 3.047,62 0.158,63 0.469,64 8.89,65 3.986,66 35.943,67 5.154,68 0.125,69 0.576,70 11.791,71 4.886,72 25.401,73 6.373,74 0.391,75 0.583,76 14.405,77 4.969,78 72.609,79 6.785,80 0.226,81 0.473,82 12.647,83 4.073,84 49.055,85 5.753,86 0.182,87 0.308,88 8.871,89 2.555,90 34.355,91 3.42,92 0.413,93 0.188,94 8.425,95 1.414,96 78.49,97 1.55,98 0.058,99 0.082,100 3.197,101 0.79,102 11.059,103 1.46,104 30,105 18,106 0.289,107 0.666,108 0.756,109 0.812,110 0.812,111 0.812,112 2.668,113 0.942,114 -3.83,115 -3.79,116 -3.6,118 40,119 2,121 1,137 3,138 2,139 1,150 1,158 1,161 1,162 7,163 1,166 1,169 1,171 3,174 9,175 1,179 1,184 3,185 1,187 8,188 2,192 2,195 1,196 1,197 3,200 4,201 2,204 2,209 3,213 2,217 2,222 4,272 129,273 8.052,274 8.052,275 8.052,276 8.052,277 8.052,278 7.156,279 9.285,280 4.63,281 8.091,282 6.353,283 6.353,284 6.353,285 6.353,286 6.353,287 4.97,288 6.352,289 2.134,290 6.427,291 3.24,292 1.406,293 0.971,294 0.7,295 0.7,296 0.7,297 3.262,300 1,301 1,302 123,303 2.739,307 42.762,314 0.769,315 19.11,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 29,327 65,328 4.365,329 3.616,330 6.391,331 3.996,332 3.006,333 4.009,334 1.437,335 9.653,336 2.972,337 3.791,338 2.992,339 5.836,340 3.55,341 2.554,342 3.088,344 7.814,345 2.538,346 3.277,347 2.583,348 4.7,349 2.856,350 1.879,351 2.473,353 4.758,354 1.814,355 2.532,356 1.39,357 3.815,358 2.224,359 1.235,360 1.476,362 2.932,363 1.218,364 2.447,365 1.258,366 3.594,367 2.005,368 1,369 1.44,371 2.414,372 0.994,373 1.189,374 0.483,375 2.323,376 0.836,377 -0.108,378 -0.13,380 -0.244,381 -0.1,382 0.665,383 0.218,384 2.28,385 0.193,386 -0.817,387 -1,389 -2,390 -0.804,391 0.409,392 -0.732,393 1.705,395 -1,396 -1.077,398 -2,399 -0.981,401 -0.889,402 1.434,403 -0.018,404 -1,405 -1.427,407 -2.501,408 -1,409 -0.028,410 -1,411 1.221,412 -0.303,413 -1.236,414 -1.447,416 -3.201,417 -1.151,418 -0.5,419 -1.449,420 1,421 -0.701,422 -1.676,423 -2.092,425 -5.268,426 -1.66,427 -0.504,428 -1.669,429 1,430 -0.839,431 -1.836,432 -2.312,434 -6,435 -1.84,436 -0.641,437 -2,438 0.702,439 -1,440 -2,441 -3,442 -1.437,443 -6.356,444 -2,463 6,464 0.462,465 0.48,466 0.037,467 15.25,468 1.173,469 8,470 0.615,471 7.25,472 0.558,473 8.708,474 0.67,475 15,476 0.6,477 9.781,478 0.752,479 3.001,480 0.231,481 3.018,482 0.232,483 0.333,485 0.417,490 0.873,491 1.041,492 0.887,493 1.031,494 0.87,495 0.974,496 0.397,497 1.024,498 0.672,499 1.023,500 0.387,501 0.933,502 0.716,503 1.246,504 0.909,505 1.238,506 0.706,507 1.14,508 0.694,509 1.118,510 0.962,511 1.129,512 0.71,513 1.115,514 0.883,515 0.98,516 0.923,517 0.98,518 0.936,519 0.964,520 1.413,521 1.237,522 1.16,523 1.211,524 1.352,525 1.137,526 3.597,527 0.319,528 2.354,529 0.355,530 3.573,531 0.936,538 3.5,540 2,541 1.063,542 0.733,543 0.583,548 815,549 2805,550 1.791,551 48,552 7,553 3,556 2,561 1.49,562 1.592,563 2.437,564 0.53,568 1,570 35.103,571 1.404,572 3.237,573 3.673,574 3.943,575 3.943,576 3.943,577 1.826,578 3.239,579 3.673,580 2.496,581 194.696,582 6.111,583 1466.52,585 1,588 116.096,589 1.549,590 3.555,591 0.269,593 0.111,594 0.059,595 0.052,596 0.065,601 0.557,602 1,603 1,604 1.23,605 46.669,606 -0.127,607 0.134,608 -0.054,609 0.127,610 -0.159,611 0.066,612 0.22,613 0.077,614 0.179,615 0.081,616 0.242,617 0.113,618 -0.017,619 -0.199,620 -0.033,621 -0.189,622 -0.005,623 -0.127,624 0.212,625 -0.166,626 -0.011,627 -0.174,628 0.183,629 -0.152,630 -0.04,631 -0.086,632 0.047,633 -0.07,634 -0.076,635 -0.003,636 -0.166,637 -0.364,638 -0.126,639 -0.344,640 -0.088,641 -0.244,642 -1.053,643 0.406,644 -1.066,645 0.303,646 -1.045,647 -0.274,648 0.337,649 0.661,650 1.04,651 0.746,652 0.33,653 1.015,654 2.764,655 3.637,656 0.462,657 6.521,658 1.011,659 1.125,660 2.597,661 6.746,662 0.637,663 2.639,664 2.944,665 3.091,666 3.178,667 3.296,668 3.178,669 2.639,670 1.946,673 3.419,674 0.612,675 180.22,676 2.639,677 4.143,678 4.949,679 5.802,680 6.637,681 7.492,682 8.333,683 9.188,684 10.031,685 10.885,701 3,706 3,708 6,716 1,721 1,724 25,726 7,727 1,728 13,730 25,731 10,732 6,733 3,734 3,735 1,737 1,738 1,743 2,751 7,752 3,753 1,754 1,758 1,761 1,764 1,767 12,768 3,769 2,770 3,777 1,778 3,789 1,808 1,810 1,815 2,819 13,826 2,831 1,839 12,841 2,842 1,846 8.167,847 4.9,848 2.917,849 1.461,850 1.356,851 1.268,852 0.834,853 2.808,854 6.413,855 2.89,856 3.45,857 3.937,858 4.393,859 4.857,860 4.862,861 4.699,862 3.992,865 1,866 18,867 4.786,868 -0.003,869 1.981,870 0.006,871 8.346,872 8.694,873 -0.001,874 6.712,875 -0.002,876 2.846,877 37,878 0.003,881 117.711,882 53.36,885 110.512,888 53.36,889 228.223,891 17.65,893 28.429,894 111.421,895 6.371,897 117.711,899 117.711,900 53.36,901 110.512,904 117.711,905 110.512,908 17.65,909 35.71,912 117.711,913 110.512,914 53.36,917 117.711,918 7.281,919 46.079,921 110.512,922 117.711,923 110.512,924 53.36,926 0.592,927 0.333,928 0.153,929 0.081,930 8,931 5,932 0.08,933 2,935 1,936 2.334,937 73.241,939 6,940 46.106,944 9.903,945 3.687,946 2.142,948 110.512,949 4.646,954 0.693,956 85.367,957 281.583,958 17,962 10.637,965 -1.097,967 25.284,968 28.119,969 0.302,970 0.697,971 0.791,972 0.849,973 0.849,974 0.849,975 4.103,976 -1,977 4.977,978 -2,979 3.611,980 4.127,981 1.635,982 5.771,983 3.587,984 5.329,985 -1,986 6.555,987 -2,988 3.434,989 4.086,991 6.735,992 3.386,993 6.64,994 -1.236,995 8.235,996 -2.501,997 5.198,998 6.285,999 2.253,1000 9.735,1001 5.157,1002 7.986,1003 -1.676,1004 9.966,1005 -3.201,1006 5.74,1007 6.965,1009 11.44,1010 5.675,1011 9.359,1012 -1.836,1013 11.728,1014 -5.268,1015 7.086,1016 8.741,1017 2.922,1018 13.985,1019 7.026,1020 10.752,1021 -2,1022 13.51,1023 -6,1024 7.928,1025 9.751,1027 15.993,1028 7.846,1029 12.159,1031 15.306,1032 -6.356,1033 9.115,1034 11.341,1035 3.619,1036 18.364,1037 9.033,1038 3.006,1040 17.112,1042 10.09,1043 12.521,1045 20.509,1046 9.99,1047 2.554,1048 9.653,1049 18.926,1051 11.215,1052 14.018,1053 4.33,1054 22.81,1055 11.11,1056 1.879,1057 7.814,1058 20.745,1059 4.009,1060 12.251,1061 15.291,1063 25.018,1064 12.13,1065 1.235,1066 4.758,1067 22.569,1068 3.088,1069 13.352,1070 16.738,1071 5.047,1072 27.293,1073 13.223,1074 1,1075 2.932,1076 24.396,1077 2.473,1078 14.417,1079 18.062,1081 29.53,1082 14.274,1083 -0.108,1084 2.414,1085 26.226,1086 1.476,1087 15.511,1088 19.483,1089 5.769,1090 31.796,1091 15.358,1092 -0.817,1093 -0.244,1094 28.059,1095 1.44,1096 16.59,1097 20.835,1099 34.047,1100 16.424,1101 961,1102 1856,1103 7.573,1104 15.932,1105 19.747,1106 20.212,1107 20.979,1108 19.417,1109 19.347,1110 24.97,1111 2.873,1112 55.139,1113 19.072,1114 5.006,1115 5.616,1116 5.688,1117 4.996,1118 5.006,1119 7.009,1120 2.873,1121 16.009,1122 4.972,1123 8.545,1124 1.519,1125 1.555,1126 1.614,1127 1.494,1128 1.488,1129 1.921,1130 0.221,1131 4.241,1132 1.467,1133 3.965,1134 3.984,1135 3.914,1136 3.898,1137 7.475,1138 3.898,1139 3.54,1140 3.593,1141 3.409,1142 3.394,1143 6.469,1144 3.386,1145 3.238,1146 3.236,1147 3.155,1148 2.985,1149 6.35,1150 3.021,1151 2.874,1152 3.009,1153 2.69,1154 2.635,1155 4.592,1156 2.636,1157 2.836,1158 2.876,1159 2.499,1160 2.618,1161 4.064,1162 2.57,1163 2.648,1164 2.691,1165 2.497,1166 2.33,1167 3.586,1168 2.382,1169 2.121,1170 2.21,1171 1.847,1172 1.619,1173 3.467,1174 1.64,1175 1.989,1176 2.051,1177 1.748,1178 1.398,1179 3.143,1180 1.426,1181 0.336,1182 0.278,1183 0.492,1184 0.307,1185 0.231,1186 4.365,1187 0.308,1188 3.616,1189 0.111,1190 6.391,1191 0.743,1192 3.996,1193 0.229,1194 3.006,1195 4.009,1196 1.437,1197 9.653,1198 2.972,1199 1.939,1200 1.92,1201 2.057,1202 2.03,1203 1.253,1204 2.037,1205 1.536,1206 1.482,1207 1.78,1208 1.724,1209 0.894,1210 1.744,1211 1.094,1212 1.087,1213 1.417,1214 1.401,1215 0.469,1216 1.338,1217 0.934,1218 0.804,1219 1.244,1220 1.239,1221 0.227,1222 1.308,1223 0.782,1224 0.735,1225 1.039,1226 1.059,1227 0.079,1228 1.044,1229 0.515,1230 0.489,1231 0.814,1232 0.895,1234 0.891,1235 0.015,1237 0.585,1238 0.507,1240 0.527,1243 0.462,1244 0.368,1246 0.367,1247 3.296,1249 4.595,1251 6.089,1253 7.672,1255 9.301,1257 3.94,1262 17.918,1267 0.263,1272 15.305,1273 35.103,1274 80.935,1275 91.832,1276 98.587,1277 98.587,1278 98.587,1279 28.731,1280 5.056,1281 57.53,1282 57.53,1283 6,1284 11.442,1285 3,1286 2.322,1287 24.646,1288 27,1289 20,1290 0.512,1291 99.58,1292 174.11,1293 234.734,1294 611,1296 10.008,1297 0.77,1298 0.586,1299 10.008,1300 7.612,1301 6.02,1302 0.463,1303 0.314,1304 4.038,1305 5.811,1306 3.855,1307 3.278,1308 6.02,1309 4.083,1310 5.702,1311 0.317,1312 0.18,1313 5.702,1314 3.236,1315 4.098,1316 0.195,1317 0.091,1318 4.098,1319 1.918,1320 2.926,1321 0.127,1322 0.047,1323 2.926,1324 1.084,1325 2.081,1326 0.08,1327 0.026,1328 2.081,1329 0.687,1330 0.736,1331 37.851,1332 0.363,1333 12.857,1334 1.589,1335 62,1336 216.035,1337 68.532,1338 207.199,1339 264.75,1340 188,1341 70,1342 180.697,1343 75.316,1344 184.043,1345 263.61,1346 171,1347 4.42}
{0 CHEMBL193998,1 1.508,2 9.957,3 2.659,4 7.072,5 85.11,6 7.784,7 0.48,8 3.794,9 3.886,10 3.388,11 3.347,12 4.99,13 3.341,14 4.309,15 4.451,16 3.765,17 3.738,18 5.54,19 3.718,20 4.527,21 4.676,22 3.85,23 3.886,24 5.727,25 3.849,26 4.645,27 4.82,28 3.744,29 3.866,30 5.883,31 3.802,32 4.623,33 4.854,34 3.552,35 3.722,36 5.763,37 3.628,38 4.312,39 4.534,40 3.327,41 3.475,42 5.433,43 3.385,44 4.099,45 4.323,46 3.217,47 3.33,48 5.129,49 3.249,50 4.077,51 4.255,52 3.195,53 3.251,54 5.29,55 3.205,56 0.062,57 0.524,58 7.417,59 3.816,60 10.51,61 4.461,62 0.317,63 0.859,64 14.385,65 6.168,66 43.699,67 7.611,68 0.241,69 1.042,70 18.073,71 7.836,72 36.657,73 9.514,74 0.387,75 1.13,76 22.009,77 8.568,78 59.385,79 10.461,80 0.472,81 1.049,82 24.209,83 8.718,84 68.479,85 11.371,86 0.372,87 0.794,88 17.16,89 6.296,90 55.241,91 8.317,92 0.25,93 0.681,94 13.22,95 4.909,96 19.269,97 6.708,98 0.234,99 0.6,100 12.881,101 4.92,102 39.093,103 5.889,104 31,105 36,106 0.267,107 0.625,108 0.787,109 0.857,110 0.857,111 0.857,112 3.188,113 0.879,114 -3.77,115 -3.73,116 -3.55,118 45,119 1,121 1,123 1,124 1,137 7,138 3,139 2,150 2,158 1,161 1,162 10,163 1,165 1,166 8,169 1,171 1,174 11,175 2,179 10,184 2,187 8,188 2,192 9,197 2,200 6,201 2,203 1,204 5,209 2,212 8,216 1,217 2,218 1,225 8,230 1,231 3,234 1,239 6,245 3,246 1,253 5,254 2,258 1,259 3,262 1,264 2,267 3,268 2,272 699,273 15.301,274 15.301,275 15.301,276 15.301,277 15.301,278 13.652,279 22.535,280 8.688,281 15.56,282 12.202,283 12.202,284 12.202,285 12.202,286 12.202,287 9.542,288 31.137,289 3.989,290 12.513,291 3.814,292 1.796,293 0.879,294 0.488,295 0.488,296 0.488,297 3.864,299 1,300 1,301 1,302 482,303 3.24,306 49.167,307 134.849,310 94.915,314 1.611,315 28.57,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 50.5,327 229,328 4.515,329 3.805,330 6.801,331 4.216,332 3.238,333 4.091,334 2.397,335 11.165,336 3.168,337 4.19,338 3.785,339 6.286,340 3.912,341 2.912,342 3.733,343 1.23,344 9.207,345 2.907,346 3.923,347 2.914,348 6.004,349 3.581,350 2.617,351 3.252,352 0.86,353 8.494,354 2.519,355 3.647,356 2.824,357 5.342,358 3.252,359 2.287,360 2.978,361 0.521,362 6.758,363 2.199,364 3.317,365 2.594,366 4.963,367 2.913,368 1.925,369 2.526,370 0.242,371 5.351,372 1.882,373 3.093,374 2.447,375 4.841,376 2.724,377 1.717,378 2.238,380 5.038,381 1.718,382 2.792,383 1.677,384 4.458,385 2.386,386 1.404,387 1.87,389 4.053,390 1.37,391 2.5,392 1.365,393 3.519,394 2,395 1,396 1.5,398 2.275,399 1,400 2.204,401 1.068,402 3.414,403 1.835,404 0.839,405 1.067,407 2.013,408 0.825,409 1.916,410 1.022,411 3.198,412 1.619,413 0.627,414 0.75,416 1.462,417 0.614,418 1.63,419 1,420 2.827,421 1.316,422 0.431,423 0.492,425 0.666,426 0.377,427 1.108,428 0.411,429 2.635,430 0.734,431 -0.284,432 -0.367,434 -0.692,435 -0.286,436 0.798,437 0.341,438 2.264,439 0.404,440 -0.584,441 -0.751,443 -1.281,444 -0.562,445 0.643,446 -0.241,447 2.16,448 0.238,449 -0.74,450 -0.946,452 -1.94,453 -0.726,454 0.5,455 -0.428,456 2,458 -1,459 -1.268,461 -2,462 -0.961,463 10.733,464 0.467,465 0.665,466 0.029,467 30.5,468 1.326,469 16,470 0.696,471 14.5,472 0.63,473 16.542,474 0.719,475 24.667,476 0.617,477 22.753,478 0.989,479 6.205,480 0.27,481 4.802,482 0.209,483 0.186,485 0.41,490 0.748,491 1.199,492 0.741,493 1.047,494 0.658,495 0.921,496 0.698,497 0.957,498 0.758,499 0.849,500 0.477,501 0.818,502 0.927,503 1.182,504 0.969,505 1.12,506 0.868,507 1.064,508 1.149,509 1.17,510 1.197,511 1.165,512 1.199,513 1.183,514 0.99,515 0.885,516 0.972,517 0.921,518 1.074,519 0.942,520 0.813,521 0.974,522 0.943,523 0.931,524 0.947,525 0.96,526 0.552,527 0.865,528 0.878,529 0.93,530 0.481,531 0.951,532 1.29,533 1.043,534 1.093,535 1.101,536 1.324,537 1.065,538 5,539 0.098,540 3.333,541 2.201,542 1.401,543 0.865,544 0.474,545 0.303,546 0.233,547 0.175,548 5384,549 16872,550 2.016,551 42.5,552 3,553 12,556 1,557 1,561 1.655,562 1.84,563 3.289,564 -0.326,565 1,566 1,568 1,570 60.332,571 1.508,572 3.526,573 4.443,574 4.834,575 4.834,576 4.834,577 2.757,578 4.002,579 4.491,580 3.424,581 866.369,582 7.724,583 9717.1,584 1,585 1,586 1,587 1,588 212.877,589 1.538,590 4.428,591 0.2,592 0.01,593 0.093,594 0.058,595 0.044,596 0.033,597 0.023,598 0.016,599 0.013,600 0.012,601 0.501,602 0.33,603 1,604 1.178,605 107.468,606 -0.057,607 -0.097,608 0.029,609 -0.013,610 -0.077,611 0.017,612 0.101,613 0.125,614 0.102,615 0.147,616 0.131,617 0.128,618 -0.099,619 -0.143,620 -0.094,621 -0.124,622 -0.054,623 -0.11,624 -0.178,625 -0.164,626 -0.258,627 -0.196,628 -0.137,629 -0.234,630 -0.044,631 0.045,632 0.05,633 0.053,634 -0.063,635 0.067,636 0.049,637 -0.01,638 0.047,639 0.043,640 -0.03,641 0.043,642 0.128,643 0.191,644 0.068,645 0.025,646 0.074,647 0.038,648 -0.16,649 -0.098,650 -0.107,651 -0.124,652 -0.144,653 -0.105,654 2.533,655 5.515,656 0.652,657 20.129,658 1.012,659 1.116,660 2.541,661 6.458,662 0.673,663 3.258,664 3.611,665 3.912,666 4.143,667 4.357,668 4.489,669 4.663,670 4.736,671 4.727,672 4.745,673 5.792,674 0.652,675 311.36,676 3.258,677 4.812,678 5.68,679 6.569,680 7.456,681 8.353,682 9.248,683 10.148,684 11.047,685 11.951,686 2.5,693 1,701 7,706 5,708 12,715 1,722 1,724 40,726 14,727 2,728 25,730 42,731 18,732 12,733 5,734 7,735 1,737 3,738 4,743 1,751 14,752 4,753 1,754 2,758 2,761 2,763 1,764 1,767 17,768 5,769 1,770 5,773 1,777 0.667,778 4,788 1,789 2,792 1,800 1,808 1,810 2,815 2,819 23,826 1,827 1,829 1,831 1,832 1,839 10,841 1,842 2,844 1,846 12.5,847 7.817,848 5.083,849 2.292,850 2.444,851 1.346,852 0.943,853 4.095,854 9.512,855 3.526,856 4.111,857 4.668,858 5.194,859 5.717,860 5.966,861 6.335,862 6.6,863 6.845,864 7.144,865 0.857,866 38,867 8.516,869 3.684,870 0.006,871 8.022,872 15.874,874 13.035,876 2.522,877 58,880 1,881 188.338,882 111.319,883 3.124,885 103.973,888 111.319,889 292.311,890 3.124,891 19.708,892 5.23,893 66.334,894 98.588,895 28.557,897 188.338,899 188.338,900 114.443,901 103.973,904 188.338,905 103.973,908 14.055,909 100.388,912 188.338,913 107.097,914 111.319,917 188.338,918 25.277,919 89.166,921 103.973,922 188.338,923 107.097,924 111.319,926 0.592,927 0.359,928 0.178,929 0.093,930 18,931 9,932 0.095,933 4,934 1,935 1.133,936 3.439,937 184.516,938 0.133,939 15,940 100.042,944 15.566,945 6.051,946 2.822,948 107.097,949 12.505,954 3.8,956 42.683,957 406.754,958 33,962 23.541,965 -0.92,967 40.48,968 44.658,969 0.283,970 0.663,971 0.835,972 0.908,973 0.908,974 0.908,975 4.779,976 1,977 5.694,978 4.053,979 4.29,980 4.796,981 2.734,982 6.544,983 4.249,984 5.995,985 0.839,986 7.29,987 2.275,988 4.007,989 4.649,990 2.283,991 7.532,992 3.948,993 7.312,994 0.627,995 8.983,996 2.013,997 5.932,998 6.946,999 3.857,1000 10.63,1001 5.853,1002 8.663,1003 0.431,1004 10.732,1005 1.462,1006 6.447,1007 7.556,1008 4.229,1009 12.419,1010 6.349,1011 10.043,1012 -0.284,1013 12.514,1014 0.666,1015 7.874,1016 9.37,1017 5.38,1018 15.051,1019 7.761,1020 11.443,1021 -0.584,1022 14.32,1023 -0.692,1024 8.737,1025 10.33,1026 6.056,1027 17.176,1028 8.605,1029 12.859,1030 -0.74,1031 16.143,1032 -1.281,1033 9.982,1034 11.938,1035 7.049,1036 19.651,1037 9.835,1038 3.238,1039 -1,1040 17.979,1041 -1.94,1042 11.001,1043 13.084,1044 7.839,1045 21.925,1046 10.836,1047 2.912,1048 11.165,1049 19.826,1050 -2,1051 12.179,1052 14.59,1053 8.768,1054 24.346,1055 11.998,1056 2.617,1057 9.207,1058 21.681,1059 4.091,1060 13.27,1061 15.84,1062 9.604,1063 26.688,1064 13.07,1065 2.287,1066 8.494,1067 23.544,1068 3.733,1069 14.427,1070 17.293,1071 10.503,1072 29.092,1073 14.209,1074 1.925,1075 6.758,1076 25.412,1077 3.252,1078 15.551,1079 18.603,1080 11.361,1081 31.467,1082 15.313,1083 1.717,1084 5.351,1085 27.286,1086 2.978,1087 16.704,1088 20.028,1089 12.247,1090 33.869,1091 16.446,1092 1.404,1093 5.038,1094 29.164,1095 2.526,1096 17.846,1097 21.374,1098 13.113,1099 36.26,1100 17.567,1101 5368,1102 9568,1103 16.126,1104 26.915,1105 38.416,1106 39.658,1107 40.052,1108 37.948,1109 37.993,1110 48.994,1111 10.502,1112 112.961,1113 37.157,1114 5.359,1115 5.805,1116 6.348,1117 5.235,1118 5.238,1119 7.091,1120 4.03,1121 18.531,1122 5.168,1123 13.597,1124 1.537,1125 1.586,1126 1.602,1127 1.518,1128 1.52,1129 1.96,1130 0.42,1131 4.518,1132 1.486,1133 4.053,1134 4.078,1135 4.011,1136 3.966,1137 7.474,1138 3.973,1139 3.893,1140 3.914,1141 3.835,1142 3.832,1143 7.428,1144 3.829,1145 3.567,1146 3.596,1147 3.493,1148 3.39,1149 6.351,1150 3.405,1151 3.389,1152 3.421,1153 3.309,1154 3.173,1155 4.854,1156 3.197,1157 3.136,1158 3.215,1159 2.947,1160 2.908,1161 4.715,1162 2.902,1163 2.996,1164 3.038,1165 2.845,1166 2.788,1167 4.353,1168 2.789,1169 2.968,1170 3.006,1171 2.809,1172 2.735,1173 3.984,1174 2.715,1175 2.854,1176 2.925,1177 2.687,1178 2.633,1179 3.806,1180 2.678,1181 0.181,1182 0.152,1183 0.272,1184 0.169,1185 0.13,1186 4.515,1187 0.164,1188 3.805,1189 0.096,1190 6.801,1191 0.447,1192 4.216,1193 0.127,1194 3.238,1195 4.091,1196 2.397,1197 11.165,1198 3.168,1199 1.936,1200 1.91,1201 2.046,1202 2.029,1203 1.22,1204 2.035,1205 1.886,1206 1.871,1207 1.976,1208 1.97,1209 1.142,1210 1.971,1211 1.526,1212 1.487,1213 1.738,1214 1.74,1215 0.891,1216 1.731,1217 1.272,1218 1.227,1219 1.573,1220 1.524,1221 0.679,1222 1.536,1223 1.216,1224 1.156,1225 1.493,1226 1.503,1227 0.572,1228 1.499,1229 0.942,1230 0.893,1231 1.181,1232 1.268,1233 0.238,1234 1.229,1235 0.886,1236 0.821,1237 1.159,1238 1.15,1239 0.218,1240 1.145,1241 0.858,1242 0.814,1243 1.088,1244 1.062,1245 0.151,1246 1.107,1247 3.932,1249 5.273,1250 2.398,1251 6.812,1252 4.844,1253 8.434,1254 7.034,1255 10.1,1257 3.235,1262 9.05,1263 0.485,1265 5.195,1267 -0.57,1268 1.68,1272 26.095,1273 60.332,1274 141.045,1275 177.716,1276 193.367,1277 193.367,1278 193.367,1279 45.687,1280 7.067,1281 66.84,1282 66.84,1283 17,1284 12.471,1285 3.907,1286 3.17,1287 36.967,1288 79,1289 79,1290 0.235,1291 160.612,1292 286.12,1293 383.654,1294 9752,1296 16.56,1297 0.72,1298 0.563,1299 16.56,1300 12.945,1301 11.007,1302 0.44,1303 0.293,1304 7.215,1305 10.554,1306 6.985,1307 5.801,1308 11.007,1309 7.325,1310 10.048,1311 0.279,1312 0.155,1313 10.048,1314 5.566,1315 8.87,1316 0.181,1317 0.086,1318 8.87,1319 4.192,1320 6.865,1321 0.111,1322 0.044,1323 6.865,1324 2.718,1325 5.364,1326 0.07,1327 0.023,1328 5.364,1329 1.786,1330 0.366,1331 69.428,1332 0.249,1333 22.48,1334 0.652,1335 122,1336 395.001,1337 134.269,1338 374.756,1339 500.27,1340 348,1341 146,1342 356.37,1343 157.636,1344 361.535,1345 528.17,1346 338,1347 4.91}
{0 CHEMBL19490,1 1.656,2 8.4,3 3.906,4 15.26,5 77.198,6 8.581,7 0.524,8 3.617,9 3.709,10 3.283,11 3.203,12 4.848,13 3.183,14 4.106,15 4.254,16 3.677,17 3.572,18 5.405,19 3.538,20 4.307,21 4.446,22 3.722,23 3.698,24 5.576,25 3.643,26 4.423,27 4.6,28 3.668,29 3.681,30 5.693,31 3.613,32 4.411,33 4.595,34 3.553,35 3.583,36 5.698,37 3.53,38 4.385,39 4.602,40 3.453,41 3.528,42 5.616,43 3.423,44 4.23,45 4.463,46 3.216,47 3.305,48 5.592,49 3.16,50 3.898,51 4.172,52 3.124,53 3,54 5.006,55 2.838,56 0.073,57 0.435,58 5.426,59 3.091,60 10.808,61 3.598,62 0.238,63 0.697,64 11.306,65 5.032,66 39.461,67 6.245,68 0.328,69 0.808,70 15.832,71 6.228,72 40.282,73 7.2,74 0.361,75 0.894,76 18.599,77 7.124,78 35.079,79 8.795,80 0.447,81 0.849,82 17.998,83 6.754,84 81.015,85 7.758,86 0.457,87 0.815,88 19.813,89 7.081,90 71.737,91 8.736,92 0.522,93 0.666,94 17.91,95 6.199,96 94.298,97 8.02,98 0.204,99 0.451,100 15.119,101 4.901,102 30.455,103 6.552,104 39,105 30,106 0.306,107 0.673,108 0.793,109 0.834,110 0.834,111 0.834,112 3.058,113 0.921,114 -3.75,115 -3.71,116 -3.53,118 44.1,119 1,120 1,123 1,137 5,138 2,139 1,146 2,149 1,150 1,158 1,161 1,162 6,163 1,166 5,169 1,171 1,174 8,178 1,179 5,180 1,187 6,188 1,191 1,192 7,195 1,197 1,200 6,201 1,204 4,209 1,212 7,213 1,217 2,218 1,222 1,225 6,226 1,230 1,231 2,234 1,236 1,239 3,240 2,245 2,250 2,253 2,254 2,259 2,264 2,267 1,272 500,273 12.776,274 12.776,275 12.776,276 12.776,277 12.776,278 11.036,279 12.166,280 7.36,281 12.989,282 10.302,283 10.302,284 10.302,285 10.302,286 10.302,287 7.684,288 14.809,289 3.472,290 10.688,291 3.431,292 1.448,293 0.798,294 0.574,295 0.574,296 0.574,297 3.704,298 1,299 1,300 1,301 1,302 341,303 3.162,306 59.359,307 68.331,314 1.28,315 27.702,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 43.833,327 168,328 4.611,329 3.692,330 6.902,331 4.232,332 3.254,333 4.324,334 2.397,335 11.428,336 3.19,337 4.099,338 3.606,339 6.016,340 3.703,341 2.714,342 3.697,343 0.242,344 8.489,345 2.676,346 3.703,347 3.022,348 5.426,349 3.312,350 2.352,351 3.047,353 6.702,354 2.257,355 3.508,356 2.892,357 4.998,358 3.089,359 2.139,360 2.736,362 5.848,363 1.95,364 3.184,365 2.221,366 4.743,367 2.789,368 1.818,369 2.368,371 4.831,372 1.746,373 2.944,374 1.968,375 4.477,376 2.518,377 1.546,378 2.082,380 4.368,381 1.467,382 2.5,383 1.694,384 3.874,385 2,386 1,387 1.5,389 2.451,390 1,391 2.464,392 1,393 3.414,394 1.959,395 0.949,396 1.323,398 2.275,399 0.931,400 1.203,401 0.746,402 2.777,403 0.918,404 -0.056,405 -0.066,407 -0.141,408 -0.05,409 1.113,410 0.479,411 2.462,412 0.637,413 -0.277,414 -0.346,416 -0.63,417 -0.215,418 0.85,419 0.347,420 2.183,421 0.556,422 -0.432,423 -0.529,425 -1.003,426 -0.415,427 0.5,428 0.076,429 2,430 0.038,431 -1,432 -1.118,434 -2,435 -0.912,436 0.459,437 -0.56,438 1.862,440 -1,441 -1.449,443 -2.561,444 -0.97,445 0.161,446 -0.686,447 1.606,448 -0.086,449 -1,450 -1.5,452 -2.968,453 -1,454 0.058,455 -1,456 1.334,457 -0.352,458 -1.227,459 -1.561,461 -3,462 -1.024,463 9.614,464 0.481,465 0.689,466 0.034,467 25.25,468 1.263,469 13,470 0.65,471 12.25,472 0.613,473 15.035,474 0.752,475 21.586,476 0.635,477 18.582,478 0.929,479 5.263,480 0.263,481 4.133,482 0.207,483 0.282,485 0.406,490 0.686,491 1.21,492 0.599,493 0.922,494 0.657,495 0.875,496 0.548,497 1.022,498 0.58,499 0.783,500 0.441,501 0.761,502 1.022,503 1.099,504 1.068,505 1.049,506 0.991,507 1.077,508 0.82,509 1.167,510 0.912,511 1.157,512 0.864,513 1.137,514 1.327,515 0.993,516 0.787,517 0.891,518 1.499,519 0.968,520 0.944,521 0.966,522 0.783,523 0.959,524 1.026,525 1.027,526 0.698,527 0.929,528 0.782,529 0.952,530 0.777,531 1.058,532 0.677,533 0.854,534 0.786,535 0.783,536 0.577,537 0.752,538 5,539 0.058,540 2.667,541 2.292,542 1.352,543 0.889,544 0.354,545 0.273,546 0.138,547 0.056,548 3234,549 12450,550 1.911,551 41.2,552 3,553 8,556 1,557 2,561 1.621,562 1.714,563 3.034,564 -0.271,566 1,570 56.313,571 1.656,572 3.64,573 4.29,574 4.514,575 4.514,576 4.514,577 2.471,578 3.784,579 4.289,580 3.162,581 600.858,582 7.346,583 6024.03,585 1,586 1,587 1,588 172.974,589 1.571,590 4.201,591 0.238,592 0.019,593 0.089,594 0.076,595 0.048,596 0.036,597 0.018,598 0.02,599 0.013,600 0.009,601 0.566,602 0.67,603 1,604 1.169,605 87.686,606 -0.064,607 -0.091,608 -0.002,609 0.01,610 -0.088,611 0.015,612 0.12,613 0.077,614 0.139,615 0.149,616 0.165,617 0.168,618 -0.141,619 -0.041,620 -0.203,621 -0.101,622 -0.13,623 -0.167,624 0.021,625 -0.148,626 -0.106,627 -0.224,628 0.01,629 -0.191,630 -0.229,631 -0.008,632 -0.078,633 0.017,634 -0.236,635 -0.043,636 -0.027,637 -0.024,638 0.031,639 -0.012,640 -0.062,641 -0.034,642 0.235,643 -0.029,644 0.094,645 0.012,646 0.196,647 -0.034,648 0.122,649 -0.013,650 0.453,651 0.266,652 0.155,653 0.371,654 2.587,655 5.487,656 0.55,657 14.4,658 1.017,659 1.117,660 2.52,661 6.349,662 0.693,663 3.091,664 3.434,665 3.664,666 3.912,667 4.025,668 3.989,669 3.989,670 3.932,671 3.761,672 3.611,673 4.932,674 0.667,675 291.75,676 3.091,677 4.635,678 5.476,679 6.365,680 7.232,681 8.125,682 9.004,683 9.9,684 10.786,685 11.683,686 2.9,694 1,701 5,706 5,707 1,708 11,713 1,723 1,724 34,726 13,727 1,728 21,730 35,731 15,732 10,733 2,734 4,735 1,737 2,738 2,739 1,743 1,749 1,751 12,752 3,754 2,758 2,761 2,764 1,767 14,768 3,769 1,770 5,771 1,773 1,777 1,778 3,784 1,788 1,789 1,800 1,808 1,810 2,815 2,816 1,819 20,826 1,827 1,838 1,839 8.8,841 1,842 2,846 11.667,847 6.793,848 4.389,849 1.879,850 2.073,851 1.333,852 0.93,853 4.189,854 8.292,855 3.384,856 4.003,857 4.539,858 5.099,859 5.467,860 5.621,861 5.864,862 6.019,863 6.204,864 6.373,865 0.833,866 30,867 7.384,869 3.13,870 0.006,871 8.164,872 13.553,874 10.778,876 2.664,877 53.278,881 153.024,882 88.566,883 1.899,884 39.149,885 92.973,888 88.566,889 285.146,890 1.899,891 17.222,892 2.535,893 47.381,894 99.017,895 11.771,896 5.513,897 153.024,898 39.149,899 153.024,900 90.465,901 92.973,902 39.149,904 153.024,905 92.973,908 13.259,909 77.206,910 39.149,912 153.024,913 94.872,914 127.715,917 153.024,918 23.963,919 66.502,921 132.122,922 153.024,923 94.872,924 127.715,926 0.592,927 0.336,928 0.18,929 0.098,930 14,931 8,932 0.114,933 4,935 1,936 3.072,937 145.995,939 11,940 82.439,944 14.664,945 5.714,946 3.068,948 92.973,949 8.371,954 2.969,955 1.639,956 42.683,957 375.611,958 28.5,962 23.293,965 -1.061,967 34.593,968 37.977,969 0.326,970 0.715,971 0.843,972 0.887,973 0.887,974 0.887,975 4.623,976 0.949,977 5.501,978 2.451,979 4.111,980 4.687,981 2.35,982 6.34,983 4.05,984 5.867,985 -0.056,986 7.091,987 2.275,988 3.892,989 4.663,990 2.243,991 7.33,992 3.774,993 7.196,994 -0.277,995 8.78,996 -0.141,997 5.733,998 6.9,999 3.742,1000 10.444,1001 5.63,1002 8.559,1003 -0.432,1004 10.527,1005 -0.63,1006 6.275,1007 7.646,1008 4.213,1009 12.27,1010 6.132,1011 9.951,1012 -1,1013 12.31,1014 -1.003,1015 7.67,1016 9.418,1017 5.351,1018 14.942,1019 7.532,1020 11.365,1021 -1,1022 14.122,1023 -2,1024 8.555,1025 10.526,1026 6.05,1027 17.123,1028 8.391,1029 12.798,1030 -1,1031 15.956,1032 -2.561,1033 9.792,1034 12.111,1035 7.042,1036 19.642,1037 9.623,1038 3.254,1039 -1.227,1040 17.807,1041 -2.968,1042 10.834,1043 13.395,1044 7.838,1045 21.971,1046 10.643,1047 2.714,1048 11.428,1049 19.672,1050 -3,1051 12.017,1052 14.901,1053 8.766,1054 24.435,1055 11.814,1056 2.352,1057 8.489,1058 21.548,1059 4.324,1060 13.129,1061 16.271,1062 9.604,1063 26.825,1064 12.906,1065 2.139,1066 6.702,1067 23.434,1068 3.697,1069 14.298,1070 17.746,1071 10.503,1072 29.27,1073 14.059,1074 1.818,1075 5.848,1076 25.328,1077 3.047,1078 15.442,1079 19.159,1080 11.361,1081 31.686,1082 15.183,1083 1.546,1084 4.831,1085 27.228,1086 2.736,1087 16.609,1088 20.621,1089 12.247,1090 34.124,1091 16.332,1092 1,1093 4.368,1094 29.133,1095 2.368,1096 17.769,1097 22.055,1098 13.113,1099 36.551,1100 17.472,1101 3387,1102 6712,1103 12.948,1104 23.557,1105 32.311,1106 33.44,1107 33.987,1108 31.736,1109 31.545,1110 42.155,1111 5.279,1112 92.786,1113 30.432,1114 5.386,1115 5.692,1116 6.316,1117 5.232,1118 5.254,1119 7.324,1120 4.03,1121 18.831,1122 5.19,1123 13.027,1124 1.539,1125 1.592,1126 1.618,1127 1.511,1128 1.502,1129 2.007,1130 0.251,1131 4.418,1132 1.449,1133 4.062,1134 4.094,1135 4.054,1136 3.958,1137 7.474,1138 3.968,1139 3.861,1140 3.886,1141 3.928,1142 3.793,1143 7.427,1144 3.79,1145 3.473,1146 3.481,1147 3.463,1148 3.254,1149 6.351,1150 3.28,1151 3.206,1152 3.307,1153 3.332,1154 3.018,1155 4.933,1156 3.019,1157 3.15,1158 3.15,1159 2.977,1160 2.947,1161 4.707,1162 2.947,1163 2.857,1164 2.941,1165 2.857,1166 2.735,1167 4.269,1168 2.715,1169 2.854,1170 2.925,1171 2.687,1172 2.605,1173 3.903,1174 2.593,1175 2.587,1176 2.618,1177 2.598,1178 2.414,1179 3.674,1180 2.417,1181 0.22,1182 0.176,1183 0.329,1184 0.202,1185 0.155,1186 4.611,1187 0.206,1188 3.692,1189 0.114,1190 6.902,1191 0.544,1192 4.232,1193 0.152,1194 3.254,1195 4.324,1196 2.397,1197 11.428,1198 3.19,1199 1.912,1200 1.895,1201 1.991,1202 1.998,1203 1.102,1204 1.999,1205 1.681,1206 1.641,1207 1.841,1208 1.874,1209 1.031,1210 1.865,1211 1.625,1212 1.587,1213 1.795,1214 1.753,1215 0.925,1216 1.771,1217 1.229,1218 1.181,1219 1.536,1220 1.532,1221 0.629,1222 1.521,1223 1.043,1224 1.012,1225 1.218,1226 1.258,1227 0.297,1228 1.248,1229 0.886,1230 0.821,1231 1.181,1232 1.129,1233 0.218,1234 1.132,1235 0.825,1236 0.753,1237 1.117,1238 1.062,1239 0.173,1240 1.107,1241 0.607,1242 0.547,1243 0.834,1244 0.834,1246 0.861,1247 3.761,1249 5.094,1250 2.398,1251 6.605,1252 4.844,1253 8.201,1254 7.002,1255 9.843,1257 3.503,1258 5.805,1262 8.865,1263 -0.106,1272 22.681,1273 56.313,1274 123.754,1275 145.854,1276 153.464,1277 153.464,1278 153.464,1279 46.047,1280 6.219,1281 59.3,1282 59.3,1283 11,1284 12.209,1285 3.807,1286 3.087,1287 36.304,1288 57,1289 62,1290 0.32,1291 146.493,1292 255.64,1293 349.203,1294 3113,1295 2.9,1296 14.861,1297 0.743,1298 0.597,1299 15.361,1300 11.939,1301 9.397,1302 0.447,1303 0.307,1304 6.028,1305 8.776,1306 5.759,1307 4.798,1308 9.685,1309 6.449,1310 8.918,1311 0.297,1312 0.169,1313 9.326,1314 5.069,1315 6.868,1316 0.181,1317 0.09,1318 7.156,1319 3.429,1320 5.721,1321 0.117,1322 0.048,1323 5.888,1324 2.343,1325 4.128,1326 0.075,1327 0.027,1328 4.343,1329 1.479,1330 0.484,1331 61.91,1332 0.278,1333 19.668,1334 0.927,1335 102,1336 347.469,1337 126.466,1338 363.841,1339 468.37,1340 334,1341 119,1342 305.335,1343 136.961,1344 320.515,1345 463.4,1346 299,1347 5.04}
{0 CHEMBL202798,1 1.639,2 22.113,3 6.354,4 40.367,5 213.595,6 7.62,7 0.421,8 4.684,9 4.793,10 4.365,11 4.237,12 5.747,13 4.184,14 5.247,15 5.415,16 4.658,17 4.629,18 6.427,19 4.553,20 5.496,21 5.69,22 4.765,23 4.812,24 6.523,25 4.701,26 5.636,27 5.862,28 4.76,29 4.834,30 6.757,31 4.707,32 5.633,33 5.861,34 4.789,35 4.824,36 6.651,37 4.708,38 5.635,39 5.846,40 4.798,41 4.832,42 6.892,43 4.722,44 5.631,45 5.857,46 4.735,47 4.828,48 6.672,49 4.705,50 5.553,51 5.753,52 4.798,53 4.802,54 6.755,55 4.702,56 0.209,57 1.458,58 24.298,59 10.069,60 25.23,61 12.46,62 0.784,63 2.337,64 45.794,65 16.82,66 105.798,67 20.982,68 0.631,69 2.92,70 62.216,71 22.634,72 76.929,73 28.479,74 1.012,75 3.151,76 74.123,77 25.644,78 167.984,79 33.002,80 0.949,81 3.116,82 75.651,83 25.279,84 129.061,85 32.494,86 1.417,87 3.128,88 72.013,89 24.431,90 240.865,91 31.265,92 1.048,93 3.1,94 77.731,95 25.932,96 137.613,97 32.483,98 0.997,99 2.959,100 65.997,101 23.443,102 157.718,103 29.757,104 76,105 78,106 0.237,107 0.537,108 0.739,109 0.832,110 0.853,111 0.853,112 3.991,113 1.053,114 -4.61,115 -4.53,116 -4.26,118 39,120 3,123 3,124 7,126 1,137 15,138 4,139 5,150 1,157 2,162 18,165 2,166 6,169 3,171 3,174 23,178 1,179 13,182 1,184 7,187 20,191 2,192 14,195 3,197 3,200 12,203 2,204 17,207 1,209 3,212 16,216 4,217 13,220 4,221 1,222 3,225 16,230 3,231 12,236 2,239 14,244 5,245 17,248 2,250 4,253 13,259 21,264 4,267 9,272 7968,273 35.462,274 35.462,275 35.462,276 35.462,277 35.462,278 31.944,279 41.15,280 21.144,281 36.466,282 28.086,283 28.086,284 28.086,285 28.086,286 28.086,287 22.631,288 51.514,289 9.995,290 29.563,291 5.005,292 2.932,293 1.532,294 0.886,295 0.743,296 0.743,297 4.688,302 2496,303 5.745,307 1151.3,314 3.562,315 68.999,318 0.5,319 0.5,320 0.5,321 0.8,322 1,323 0.33,325 0.52,326 115.5,327 1172,328 4.868,329 4.691,330 7.316,331 4.334,332 3.41,333 4.721,334 2.95,335 12.549,336 3.137,337 4.417,338 4.415,339 6.514,340 4.038,341 3.052,342 4.101,343 2.612,344 10.232,345 3.006,346 4.369,347 3.8,348 6.42,349 3.922,350 2.956,351 4.06,352 0.98,353 9.84,354 2.855,355 4.101,356 3.527,357 6.011,358 3.714,359 2.717,360 3.656,361 0.86,362 8.494,363 2.687,364 3.904,365 3.177,366 5.449,367 3.501,368 2.576,369 3.445,370 0.86,371 7.239,372 2.419,373 3.743,374 2.977,375 5.444,376 3.464,377 2.531,378 3.128,379 0.8,380 7.173,381 2.381,382 3.628,383 2.888,384 5.336,385 3.371,386 2.407,387 2.999,388 0.8,389 6.947,390 2.286,391 3.517,392 2.663,393 5.285,394 3.359,395 2.386,396 2.599,397 0.4,398 6.784,399 2.283,400 3.416,401 2.613,402 5.032,403 3.05,404 2.132,405 2.525,407 5.762,408 1.957,409 3.32,410 2.569,411 4.882,412 2.955,413 1.994,414 2.501,416 5.206,417 1.91,418 3.157,419 2.38,420 4.804,421 2.857,422 1.884,423 2.261,425 5.107,426 1.826,427 3.021,428 2.161,429 4.586,430 2.608,431 1.635,432 2.132,434 4.823,435 1.582,436 2.894,437 2.071,438 4.189,439 2.447,440 1.549,441 2.009,443 3.684,444 1.404,445 2.872,446 1.945,447 3.937,448 2.441,449 1.486,450 1.972,452 3.238,453 1.394,454 2.638,455 1.708,456 3.679,457 2.395,458 1.408,459 1.639,461 3.142,462 1.371,463 25.5,464 0.481,465 1.327,466 0.025,467 66.25,468 1.25,469 33,470 0.623,471 33.25,472 0.627,473 55.981,474 1.056,475 59.1,476 0.591,477 66.396,478 1.253,479 12.88,480 0.243,481 12.637,482 0.238,483 0.124,484 0.033,485 0.263,490 0.567,491 1.329,492 0.807,493 1.163,494 0.569,495 1.022,496 0.881,497 1.002,498 0.979,499 0.937,500 0.497,501 0.924,502 0.848,503 1.131,504 1.06,505 1.138,506 0.695,507 1.08,508 0.801,509 1.034,510 0.982,511 1.05,512 0.818,513 1.006,514 0.914,515 1.012,516 0.928,517 1.013,518 0.925,519 0.935,520 0.94,521 0.986,522 0.983,523 0.977,524 0.931,525 0.999,526 1.008,527 0.972,528 1.075,529 1.034,530 1.169,531 0.949,532 0.759,533 1.148,534 0.874,535 1.049,536 0.88,537 1.047,538 11.5,539 0.582,540 6,541 3.125,542 2.871,543 2.444,544 1.218,545 1.153,546 0.936,547 0.737,548 64799,549 170318,550 2.031,551 47,552 2,553 39,556 2,558 2,559 2,561 1.862,562 1.899,563 4.341,564 0.098,570 163.928,571 1.639,572 3.712,573 5.112,574 5.758,575 5.901,576 5.901,577 3.832,578 5.388,579 5.693,580 4.587,581 6320.88,582 10.131,583 146670,588 664.386,589 1.492,590 5.652,591 0.202,592 0.008,593 0.077,594 0.038,595 0.036,596 0.03,597 0.015,598 0.014,599 0.011,600 0.009,601 0.44,602 0.17,603 0.5,604 0.97,605 332.8,606 0.124,607 -0.102,608 0.148,609 -0.035,610 -0.049,611 0.005,612 0.065,613 0.132,614 0.006,615 0.101,616 0.208,617 0.058,618 -0.034,619 -0.051,620 -0.035,621 -0.069,622 0.013,623 -0.067,624 0.088,625 -0.03,626 0.039,627 -0.027,628 0.138,630 0.021,631 -0.022,632 0.102,633 0.012,634 -0.009,635 0.07,636 0.129,637 0.027,638 0.006,639 0.009,640 0.216,641 -0.023,642 -0.038,643 0.023,644 0.002,645 0.02,646 -0.097,647 0.059,648 0.173,649 -0.12,650 0.06,651 -0.063,652 0.139,653 -0.056,654 5.358,655 6.321,656 0.566,657 104.435,658 1.005,659 1.125,660 3.377,661 11.404,662 0.665,663 4.06,664 4.369,665 4.585,666 4.796,667 5.024,668 5.081,669 5.193,670 5.313,671 5.407,672 5.505,673 12.439,674 0.625,675 762.05,676 4.06,677 5.602,678 6.431,679 7.296,680 8.145,681 9.015,682 9.872,683 10.746,684 11.609,685 12.487,686 5,689 2,691 1,693 1,697 1,701 15,706 9,708 24,718 1,719 1,722 1,724 100,726 29,727 4,728 57,730 104,731 39,732 24,733 9,734 15,735 1,737 5,738 5,749 4,751 25,752 14,754 5,755 1,756 1,758 5,761 1,767 47,768 11,769 2,770 14,771 2,773 5,777 1,778 7,789 5,806 2,809 1,810 5,811 1,813 2,815 3,819 53,823 1,827 10,828 2,829 2,830 1,831 1,832 2,839 7,842 3,843 1,844 1,845 2,846 27.917,847 18.433,848 11.764,849 5.819,850 4.08,851 1.454,852 0.962,853 14.869,854 13.057,855 4.317,856 4.883,857 5.359,858 5.873,859 6.391,860 6.636,861 6.963,862 7.236,863 7.506,864 7.841,865 0.933,866 82,867 20.243,869 9.043,870 0.006,871 7.854,872 37.633,874 30.759,876 2.354,877 124.75,881 529.7,882 265.263,883 46.334,885 142.205,887 38.027,888 227.236,889 671.904,890 46.334,891 33.346,892 42.516,893 147.951,894 103.173,895 43.849,897 561.919,898 50.747,899 529.7,900 273.57,901 142.205,902 38.027,904 482.615,905 127.542,906 61.747,908 48.764,909 201.125,910 29.488,911 32.22,912 529.7,913 188.539,914 265.263,916 5.807,917 529.7,918 89.636,919 181.738,920 34.416,921 142.205,922 529.7,923 188.539,924 265.263,926 0.577,927 0.325,928 0.168,929 0.094,930 32,931 16,932 0.173,933 18,935 1,936 6.008,937 553.293,939 30,940 283.58,941 1,943 1,944 40.394,945 19.509,946 11.848,948 182.869,949 26.078,954 4.096,956 34.416,957 983.501,958 74,959 -0.623,960 -4.441,962 64.069,965 -0.856,967 100.509,968 112.517,969 0.247,970 0.559,971 0.769,972 0.867,973 0.888,974 0.888,975 5.557,976 2.386,977 6.422,978 6.947,979 5.056,980 5.572,981 3.603,982 7.219,983 4.965,984 6.758,985 2.132,986 7.978,987 6.784,988 4.691,989 5.515,990 2.431,991 8.263,992 4.539,993 8.075,994 1.994,995 9.645,996 5.762,997 6.666,998 7.78,999 5.394,1000 11.295,1001 6.483,1002 9.432,1003 1.884,1004 11.381,1005 5.206,1006 7.124,1007 8.569,1008 4.513,1009 13.215,1010 6.868,1011 10.827,1012 1.635,1013 13.165,1014 5.107,1015 8.585,1016 10.356,1017 7.441,1018 15.834,1019 8.301,1020 12.251,1021 1.549,1022 14.985,1023 4.823,1024 9.422,1025 11.524,1026 6.557,1027 18.105,1028 9.06,1029 13.697,1030 1.486,1031 16.832,1032 3.684,1033 10.691,1034 13.137,1035 9.54,1036 20.621,1037 10.291,1038 3.41,1039 1.408,1040 18.7,1041 3.238,1042 11.711,1043 14.484,1044 8.548,1045 23.032,1046 11.23,1047 3.052,1048 12.549,1049 20.587,1050 3.142,1051 12.912,1052 16.033,1053 11.658,1054 25.53,1055 12.379,1056 2.956,1057 10.232,1058 22.488,1059 4.721,1060 14.021,1061 17.468,1062 10.509,1063 27.999,1064 13.406,1065 2.717,1066 9.84,1067 24.402,1068 4.101,1069 15.204,1070 18.996,1071 13.789,1072 30.501,1073 14.526,1074 2.576,1075 8.494,1076 26.326,1077 4.06,1078 16.357,1079 20.477,1080 12.452,1081 32.998,1082 15.596,1083 2.531,1084 7.239,1085 28.26,1086 3.656,1087 17.542,1088 22.001,1089 15.928,1090 35.507,1091 16.707,1092 2.407,1093 7.173,1094 30.2,1095 3.445,1096 18.718,1097 23.507,1098 14.386,1099 38.017,1100 17.799,1101 61595,1102 100420,1103 37.561,1104 66.495,1105 84.092,1106 89.969,1107 86.258,1108 84.054,1109 84.056,1110 107.802,1111 20.524,1112 236.374,1113 80.184,1114 5.868,1115 6.691,1116 7.118,1117 5.446,1118 5.41,1119 7.721,1120 5.9,1121 20.024,1122 5.137,1123 29.908,1124 1.475,1125 1.578,1126 1.513,1127 1.475,1128 1.475,1129 1.891,1130 0.36,1131 4.147,1132 1.407,1133 4.129,1134 4.129,1135 4.738,1136 4.085,1137 7.815,1138 4.028,1139 4.013,1140 4.029,1141 4.032,1142 3.965,1143 7.718,1144 3.947,1145 3.895,1146 3.921,1147 3.972,1148 3.865,1149 7.427,1150 3.829,1151 3.852,1152 3.888,1153 3.892,1154 3.754,1155 6.999,1156 3.752,1157 3.798,1158 3.834,1159 3.753,1160 3.644,1161 6.999,1162 3.608,1163 3.755,1164 3.803,1165 3.673,1166 3.587,1167 4.89,1168 3.598,1169 3.704,1170 3.72,1171 3.615,1172 3.519,1173 4.747,1174 3.497,1175 3.489,1176 3.563,1177 3.443,1178 3.308,1179 4.667,1180 3.3,1181 0.085,1182 0.082,1183 0.128,1184 0.076,1185 0.06,1186 4.868,1187 0.083,1188 4.691,1189 0.052,1190 7.316,1191 0.22,1192 4.334,1193 0.055,1194 3.41,1195 4.721,1196 2.95,1197 12.549,1198 3.137,1199 2.01,1200 2.001,1201 2.096,1202 2.117,1203 1.339,1204 2.111,1205 1.975,1206 1.97,1207 2.014,1208 2.074,1209 1.316,1210 2.077,1211 1.881,1212 1.859,1213 1.989,1214 1.992,1215 1.215,1216 1.993,1217 1.826,1218 1.796,1219 1.981,1220 1.951,1221 1.17,1222 1.977,1223 1.727,1224 1.673,1225 1.917,1226 1.916,1227 1.105,1228 1.93,1229 1.712,1230 1.657,1231 1.902,1232 1.9,1233 1.068,1234 1.899,1235 1.523,1236 1.525,1237 1.717,1238 1.768,1239 0.916,1240 1.762,1241 1.455,1242 1.4,1243 1.712,1244 1.697,1245 0.9,1246 1.692,1247 4.745,1249 6.057,1251 7.554,1253 9.135,1255 10.761,1257 5.527,1263 8.517,1264 5.33,1265 11.125,1266 1.629,1267 -0.144,1268 4.443,1272 62.548,1273 163.928,1274 371.217,1275 511.153,1276 575.756,1277 590.121,1278 590.121,1279 165.711,1280 8.978,1281 146.03,1282 179.71,1283 30,1284 13.028,1285 4.907,1286 4.17,1287 99.698,1288 396,1289 445,1290 0.118,1291 391.128,1292 694.45,1293 946.113,1294 139386,1296 37.796,1297 0.713,1298 0.603,1299 38.4,1300 31.958,1301 25.517,1302 0.448,1303 0.351,1304 17.488,1305 23.207,1306 16.794,1307 13.951,1308 26.792,1309 20.012,1310 23.123,1311 0.296,1312 0.204,1313 25.001,1314 15.873,1315 18.204,1316 0.188,1317 0.118,1318 20.008,1319 11.453,1320 14.625,1321 0.122,1322 0.067,1323 16.326,1324 7.986,1325 11.823,1326 0.078,1327 0.039,1328 13.396,1329 5.848,1330 0.194,1331 173.63,1332 0.163,1333 46.14,1334 0.3,1335 270,1336 841.471,1337 354.89,1338 841.153,1339 1116.13,1340 778,1341 310,1342 751.837,1343 400.528,1344 808.796,1345 1167.08,1346 752,1347 4.027}
{0 CHEMBL2180871,1 1.698,2 39.68,3 2.9885,4 8.9325,5 90.986,6 7.245,7 0.113,8 5.889,9 6.027,10 5.401,11 5.306,12 7.051,13 5.289,14 6.456,15 6.646,16 5.742,17 5.712,18 7.64,19 5.654,20 6.825,21 7.055,22 5.885,23 5.915,24 7.941,25 5.84,26 6.958,27 7.19,28 6.025,29 5.997,30 8.112,31 5.945,32 7.027,33 7.241,34 6.2,35 6.078,36 8.446,37 6.038,38 7.13,39 7.347,40 6.255,41 6.207,42 8.407,43 6.15,44 7.252,45 7.467,46 6.351,47 6.338,48 8.452,49 6.274,50 7.379,51 7.601,52 6.482,53 6.443,54 8.696,55 6.368,56 0.935,57 4.928,58 79.097,59 29.14,60 153.099,61 40.379,62 2.928,63 7.481,64 145.536,65 48.87,66 468.839,67 72,68 5.332,69 9.246,70 227.422,71 63.322,72 769.722,73 95.339,74 5.87,75 10.068,76 264.998,77 65.644,78 934.689,79 102.043,80 8.715,81 10.894,82 284.198,83 71.415,84 1540.56,85 108.98,86 8.718,87 12.26,88 314.522,89 84.626,90 1378.67,91 124.172,92 8.092,93 13.86,94 358.26,95 97.206,96 1374.12,97 142.169,98 10.882,99 15.436,100 413.468,101 111.718,102 1882.33,103 163.872,104 2669,105 238,106 0.198,107 0.432,108 0.624,109 0.752,110 0.829,111 0.858,112 5.154,113 1.011,114 -3.34,115 -3.32,116 -3.18,118 32.2,119 10,120 25,121 5,124 9,126 18,137 8,138 4,145 2,146 2,150 24,151 2,154 5,155 5,156 5,158 6,159 1,161 6,162 35,163 5,164 1,165 1,166 10,167 1,168 4,169 27,170 2,171 28,172 1,173 4,174 26,175 3,176 1,177 2,178 1,179 22,182 20,183 17,184 39,185 3,187 12,189 1,190 2,192 32,193 5,195 3,196 3,197 32,198 6,200 7,201 1,202 6,203 21,204 29,205 5,207 27,208 7,209 32,210 3,212 18,213 2,214 4,216 9,217 29,218 2,220 31,221 21,222 34,223 3,224 2,225 26,226 5,227 1,230 4,231 41,232 4,233 1,234 8,235 9,236 36,237 6,238 5,239 30,240 8,241 1,244 21,245 44,246 7,247 5,248 29,249 12,250 42,251 5,252 4,253 31,254 5,255 2,256 1,258 11,259 39,260 7,261 3,262 39,263 22,264 42,265 7,266 2,267 39,268 6,270 5,272 186464,273 111.343,274 111.343,275 111.343,276 111.343,277 111.343,278 104.137,279 110.939,280 66.843,281 112.654,282 87.022,283 87.022,284 87.022,285 87.022,286 87.022,287 75.487,288 98.965,289 31.553,290 88.889,291 6.707,292 4.699,293 3.049,294 1.954,295 1.297,296 1.047,297 5.832,300 1,302 13937,303 12.865,306 1472.55,307 1195.17,310 1794.49,314 5.42,315 433.902,318 0.25,320 0.17,321 0.6,322 1,323 0.17,325 0.31,326 389.5,327 6825,328 4.53,329 3.972,330 6.734,331 4.13,332 3.162,333 4.474,334 2.376,335 10.887,336 3.057,337 4.53,338 3.931,339 6.543,340 4.08,341 3.093,342 4.474,343 2.341,344 10.339,345 3.051,346 4.281,347 3.886,348 6.542,349 4.076,350 3.089,351 3.437,352 2.341,353 10.336,354 3.045,355 4.174,356 3.877,357 6.441,358 4.025,359 3.04,360 3.335,361 2.341,362 9.878,363 2.985,364 4.145,365 3.861,366 6.433,367 4,368 3.015,369 3.306,370 2.341,371 9.84,372 2.963,373 4.131,374 3.834,375 6.234,376 3.945,377 2.962,378 3.3,379 2.341,380 9.322,381 2.903,382 4.088,383 3.823,384 6.198,385 3.911,386 2.927,387 3.258,388 2.026,389 9.202,390 2.869,391 4.068,392 3.802,393 6.185,394 3.907,395 2.924,396 3.238,397 2.01,398 9.159,399 2.867,400 4.056,401 3.776,402 6.173,403 3.869,404 2.884,405 3.217,406 2.008,407 9.094,408 2.832,409 4.008,410 3.747,411 6.137,412 3.836,413 2.85,414 3.172,415 2.001,416 8.98,417 2.802,418 4,419 3.721,420 6.09,421 3.813,422 2.828,423 3.16,424 1.996,425 8.824,426 2.774,427 3.937,428 3.697,429 6.085,430 3.765,431 2.778,432 3.094,433 1.987,434 8.789,435 2.733,436 3.907,437 3.688,438 6.026,439 3.73,440 2.737,441 3.069,442 1.978,443 8.598,444 2.709,445 3.894,446 3.67,447 5.974,448 3.711,449 2.724,450 3.05,451 1.969,452 8.437,453 2.678,454 3.839,455 3.637,456 5.954,457 3.645,458 2.653,459 2.997,460 1.96,461 8.33,462 2.622,463 78.567,464 0.457,465 4.976,466 0.029,467 166.25,468 0.967,469 57,470 0.331,471 109.25,472 0.635,473 394.896,474 2.296,475 206.433,476 0.609,477 320.105,478 1.861,479 31.729,480 0.184,481 49.725,482 0.289,483 0.221,485 0.355,490 0.801,491 1.496,492 0.839,493 1.206,494 0.655,495 1.097,496 0.492,497 1.395,498 0.886,499 1.296,500 0.456,501 1.192,502 0.916,503 1.044,504 1.019,505 1.06,506 0.93,507 1.052,508 1.186,509 1.085,510 0.997,511 0.981,512 1.153,513 0.935,514 0.967,515 1.09,516 0.953,517 1.016,518 0.959,519 0.969,520 1.044,521 0.974,522 1.04,523 1.01,524 1.082,525 0.999,526 1.156,527 1.117,528 1.097,529 1.108,530 1.162,531 1.036,532 0.939,533 1.093,534 1.054,535 1.124,536 0.926,537 1.045,538 40.5,539 3.653,540 20.222,541 12.014,542 11.644,543 7.643,544 5.786,545 6.108,546 4.457,547 3.563,548 1169220,549 3652200,550 1.896,551 49.3,552 39,553 44,554 2,556 36,557 10,558 36,561 2.106,562 1.726,563 5.115,564 25.298,566 1,570 575.745,571 1.698,572 3.707,573 5.356,574 6.451,575 7.108,576 7.358,577 4.613,578 7.236,579 7.396,580 5.375,581 79047.9,582 13.611,583 3894390,585 1,587 1,588 2849.34,589 1.564,590 7.32,591 0.229,592 0.008,593 0.085,594 0.046,595 0.039,596 0.022,597 0.016,598 0.015,599 0.01,600 0.008,601 0.476,602 0.17,603 0.25,604 2.798,605 1391.33,606 -0.111,607 -0.051,608 0.031,609 0.056,610 -0.054,611 0.039,612 0.191,613 -0.132,614 0.026,615 -0.123,616 0.141,617 -0.092,618 -0.014,619 0.047,620 -0.036,621 -0.015,622 -0.078,623 -0.032,624 -0.157,625 -0.042,626 0.016,627 0.029,628 -0.132,629 0.057,630 0.138,631 -0.021,632 0.073,633 0.009,634 0.16,635 0.02,636 0.018,637 0.107,638 -0.009,639 0.039,640 -0.012,641 0.003,642 -0.119,643 -0.037,644 -0.041,645 -0.012,646 -0.098,647 -0.014,648 0.076,649 -0.03,650 0.022,651 -0.025,652 0.092,653 -0.023,654 3.557,655 8.744,656 0.256,657 567.357,658 1.015,659 1.147,660 -8.106,661 65.708,662 0.616,663 5.182,664 5.476,665 5.649,666 5.849,667 6.021,668 6.089,669 6.211,670 6.344,671 6.373,672 6.452,673 22.224,674 0.591,675 2456.21,676 5.182,677 6.723,678 7.535,679 8.394,680 9.233,681 10.095,682 10.947,683 11.812,684 12.672,685 13.539,686 9.1,687 5,688 1,693 18,694 2,695 2,698 1,699 1,700 4,701 10,703 2,706 2,708 20,724 339,726 48,727 2,728 177,730 344,731 109,732 16,733 4,734 8,737 6,738 9,741 2,743 11,746 8,749 43,751 42,752 67,753 5,754 28,758 24,760 3,761 26,764 1,767 167,768 58,769 36,770 63,771 2,773 31,774 1,777 0.5,778 30,784 2,785 1,788 3,789 2,792 2,798 17,799 1,800 6,804 5,805 1,808 6,810 3,812 1,813 2,815 10,819 172,820 5,826 6,827 34,828 18,830 2,831 23,832 1,839 8.8,841 6,842 24,846 99.667,847 59.417,848 38.972,849 20.529,850 2.179,851 1.199,852 0.887,853 67.423,854 13.121,855 5.375,856 5.804,857 6.099,858 6.463,859 6.825,860 6.959,861 7.234,862 7.543,863 7.431,864 7.613,865 1,866 262,867 67.161,869 30.937,870 0.006,871 8.248,872 118.18,874 95.351,876 2.748,877 472.667,881 1542.01,882 432.169,883 622.474,885 859.578,887 60.363,888 371.806,889 2401.59,890 622.474,891 14.438,892 15.568,893 72.141,894 101.8965,895 20.6815,897 182.4525,899 1542.01,900 994.28,901 859.578,902 60.363,904 176.567,905 110.512,908 32.9415,909 85.9695,910 5.807,912 1542.01,913 1482.05,914 432.169,917 1542.01,918 250.013,919 185.281,920 357.765,921 1121.16,922 1542.01,923 1482.05,924 432.169,926 0.573,927 0.313,928 0.162,929 0.093,930 74,931 56,932 0.201,933 69,934 3,935 1.136,936 11.16,937 2881.84,938 0.136,939 44,940 1263.32,941 2,944 148.834,945 77.917,946 53.529,947 2.173,948 1433.17,949 16.525,951 6.148,954 0.781,956 778.351,957 3456.24,958 215,962 343.802,964 11.579,965 -30.552,967 344.212,968 388.803,969 0.202,970 0.441,971 0.637,972 0.768,973 0.846,974 0.875,975 6.637,976 2.924,977 7.526,978 9.202,979 6.168,980 6.495,981 5.179,982 8.299,983 6.129,984 7.8,985 2.884,986 9.073,987 9.159,988 5.82,989 6.337,990 4.821,991 9.163,992 5.791,993 9.079,994 2.85,995 10.72,996 9.094,997 7.732,998 8.428,999 6.37,1000 12.225,1001 7.655,1002 10.381,1003 2.828,1004 12.424,1005 8.98,1006 8.158,1007 9.068,1008 6.631,1009 13.895,1010 8.09,1011 11.713,1012 2.778,1013 14.164,1014 8.824,1015 9.57,1016 10.712,1017 7.746,1018 16.481,1019 9.459,1020 13.065,1021 2.737,1022 15.93,1023 8.789,1024 10.345,1025 11.746,1026 8.275,1027 18.492,1028 10.235,1029 14.433,1030 2.724,1031 17.715,1032 8.598,1033 11.563,1034 13.254,1035 9.219,1036 20.903,1037 11.418,1038 3.162,1039 2.653,1040 19.513,1041 8.437,1042 12.506,1043 14.507,1044 9.887,1045 23.069,1046 12.352,1047 3.093,1048 10.887,1049 21.322,1050 8.33,1051 13.645,1052 15.983,1053 10.758,1054 25.414,1055 13.463,1056 3.089,1057 10.339,1058 23.139,1059 4.474,1060 14.668,1061 17.356,1062 11.501,1063 27.657,1064 14.471,1065 3.04,1066 10.336,1067 24.962,1068 4.474,1069 15.778,1070 18.833,1071 12.343,1072 29.981,1073 15.556,1074 3.015,1075 9.878,1076 26.791,1077 3.437,1078 16.84,1079 20.269,1080 13.129,1081 32.263,1082 16.6,1083 2.962,1084 9.84,1085 28.625,1086 3.335,1087 17.941,1088 21.752,1089 13.962,1090 34.585,1091 17.677,1092 2.927,1093 9.322,1094 30.463,1095 3.306,1096 19.023,1097 23.22,1098 14.772,1099 36.891,1100 18.739,1101 1158220,1102 2049100,1103 110.043,1104 208.882,1105 263.165,1106 278.528,1107 272.668,1108 258.599,1109 258.729,1110 303.985,1111 113.871,1112 717.167,1113 253.891,1114 5.53,1115 5.972,1116 6.698,1117 5.232,1118 5.162,1119 7.474,1120 3.99,1121 18.288,1122 5.057,1123 149.423,1124 1.487,1125 1.574,1126 1.54,1127 1.461,1128 1.462,1129 1.717,1130 0.643,1131 4.052,1132 1.434,1133 4.22,1134 4.265,1135 4.204,1136 4.102,1137 7.507,1138 4.108,1139 4.111,1140 4.145,1141 4.116,1142 4.03,1143 7.473,1144 4.035,1145 4.033,1146 4.077,1147 4.067,1148 3.884,1149 7.472,1150 3.892,1151 3.911,1152 3.96,1153 3.944,1154 3.737,1155 7.472,1156 3.751,1157 3.87,1158 3.916,1159 3.834,1160 3.703,1161 7.472,1162 3.708,1163 3.866,1164 3.913,1165 3.8,1166 3.689,1167 7.469,1168 3.703,1169 3.84,1170 3.892,1171 3.784,1172 3.676,1173 7.452,1174 3.683,1175 3.835,1176 3.879,1177 3.759,1178 3.657,1179 7.431,1180 3.668,1181 0.026,1182 0.022,1183 0.038,1184 0.023,1185 0.018,1186 4.53,1187 0.025,1188 3.972,1189 0.013,1190 6.734,1191 0.062,1192 4.13,1193 0.017,1194 3.162,1195 4.474,1196 2.376,1197 10.887,1198 3.057,1199 1.942,1200 1.919,1201 2.041,1202 2.036,1203 1.354,1204 2.033,1205 1.942,1206 1.919,1207 2.04,1208 2.033,1209 1.333,1210 2.031,1211 1.838,1212 1.789,1213 2.032,1214 2.028,1215 1.325,1216 2.03,1217 1.82,1218 1.772,1219 2.017,1220 2.018,1221 1.317,1222 2.011,1223 1.807,1224 1.758,1225 2.013,1226 2,1227 1.316,1228 2,1229 1.806,1230 1.755,1231 2.012,1232 1.998,1233 1.303,1234 1.994,1235 1.795,1236 1.744,1237 2.009,1238 1.988,1239 1.295,1240 1.986,1241 1.774,1242 1.727,1243 1.995,1244 1.981,1245 1.274,1246 1.97,1247 5.872,1249 7.175,1250 3.434,1251 8.631,1252 5.778,1253 10.165,1254 7.854,1255 11.747,1257 16.316,1261 28.478,1262 59.589,1263 -7.919,1264 46.078,1266 1.435,1267 -34.451,1268 1.194,1272 200.304,1273 575.745,1274 1256.51,1275 1815.7,1276 2187,1277 2409.74,1278 2494.25,1279 2228.98,1280 10.942,1281 986,1282 1036.6,1283 50,1284 14.086,1285 5.615,1286 5.285,1287 620.892,1288 2243,1289 3132,1290 0.123,1291 1259.36,1292 2323.18,1293 3064.6,1294 1670670,1296 127.829,1297 0.743,1298 0.579,1299 128.536,1300 99.609,1301 81.454,1302 0.46,1303 0.337,1304 56.361,1305 76.574,1306 55.008,1307 45.671,1308 82.579,1309 59.629,1310 73.928,1311 0.311,1312 0.194,1313 75.101,1314 46.064,1315 54.051,1316 0.191,1317 0.109,1318 55.245,1319 30.716,1320 42.07,1321 0.122,1322 0.061,1323 43.489,1324 21.18,1325 33.713,1326 0.082,1327 0.034,1328 35.253,1329 14.173,1330 0.198,1331 528.805,1332 0.095,1333 106.666,1334 0.326,1335 830,1336 2929.65,1337 988.57,1338 2790.07,1339 3550.49,1340 2558,1341 936,1342 2353.59,1343 1083.51,1344 2361.8,1345 3395.57,1346 2215,1347 6.493}
{0 CHEMBL2326365,1 1.735,2 13.167,3 3.692,4 13.631,5 109.277,6 8.906,7 0.563,8 3.974,9 4.046,10 3.805,11 3.617,12 5.212,13 3.583,14 4.468,15 4.57,16 4.115,17 3.984,18 5.964,19 3.94,20 4.731,21 4.864,22 4.226,23 4.146,24 6.157,25 4.073,26 4.806,27 4.958,28 4.174,29 4.146,30 6.159,31 4.073,32 4.834,33 4.994,34 4.126,35 4.064,36 6.217,37 4.016,38 4.728,39 4.906,40 3.959,41 3.918,42 6.3,43 3.848,44 4.53,45 4.739,46 3.722,47 3.745,48 5.78,49 3.654,50 4.363,51 4.535,52 3.641,53 3.587,54 5.758,55 3.547,56 0.164,57 0.693,58 9.027,59 4.998,60 36.789,61 4.772,62 0.485,63 1.118,64 13.939,65 7.972,66 98.986,67 8.219,68 0.704,69 1.403,70 24.457,71 10.786,72 124.476,73 10.723,74 0.597,75 1.445,76 30.07,77 12.315,78 110.097,79 12.585,80 0.792,81 1.395,82 28.265,83 11.446,84 156.883,85 11.74,86 0.964,87 1.318,88 25.519,89 10.348,90 195.68,91 11.413,92 0.524,93 1.115,94 23.475,95 8.978,96 90.021,97 10.185,98 0.483,99 0.872,100 18.743,101 7.137,102 85.539,103 7.456,104 46,105 45,106 0.29,107 0.579,108 0.698,109 0.82,110 0.858,111 0.858,112 3.44,113 0.975,114 -4.85,115 -4.76,116 -4.47,118 45.8,120 1,124 1,137 12,138 3,139 3,150 2,158 1,161 1,162 14,163 1,165 1,166 1,169 2,171 3,174 17,175 1,179 9,184 3,187 16,188 1,192 13,197 2,200 13,201 2,204 8,205 2,209 3,212 14,213 1,216 2,217 4,220 2,222 3,225 10,226 2,231 7,236 4,239 7,240 2,245 8,250 2,253 8,254 1,259 3,264 1,267 11,268 1,272 1484,273 19.78,274 19.78,275 19.78,276 19.78,277 19.78,278 17.096,279 16.5,280 11.593,281 20.123,282 15.711,283 15.711,284 15.711,285 15.711,286 15.711,287 11.569,288 18.11,289 5.403,290 16.313,291 3.849,292 2.126,293 1.412,294 0.682,295 0.458,296 0.458,297 4.117,300 1,301 1,302 822,303 4.243,307 332.593,314 2.178,315 54.879,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 67,327 395,328 4.996,329 5.359,330 7.723,331 4.419,332 3.548,333 4.892,334 2.95,335 13.908,336 3.075,337 4.252,338 3.641,339 6.159,340 3.873,341 2.877,342 3.899,343 2.397,344 9.083,345 2.862,346 4.003,347 3.626,348 6.043,349 3.604,350 2.624,351 3.566,352 2.086,353 8.376,354 2.55,355 3.864,356 3.204,357 5.467,358 3.515,359 2.536,360 3.303,361 0.46,362 7.321,363 2.467,364 3.535,365 2.853,366 5.077,367 3.121,368 2.122,369 2.817,370 0.242,371 5.658,372 2.103,373 3.455,374 2.457,375 4.777,376 3.039,377 2.038,378 2.659,380 5.284,381 2.016,382 3.271,383 2.287,384 4.53,385 2.773,386 1.784,387 2.531,389 4.675,390 1.753,391 2.852,392 1.864,393 4.314,394 2.388,395 1.387,396 1.994,398 3.837,399 1.384,400 2.794,401 1.649,402 3.91,403 2.322,404 1.341,405 1.912,407 3.111,408 1.307,409 2.611,410 1.537,411 3.597,412 2.046,413 1.048,414 1.62,416 2.698,417 1.045,418 2.5,419 1.081,420 3.414,421 2,422 1,423 1.5,425 2.275,426 1,427 2.5,428 1,429 3.414,430 2,431 1,432 1.5,434 2.275,435 1,436 1.522,437 1,438 2.981,439 1.25,440 0.408,441 0.436,443 0.637,444 0.33,445 1.335,446 0.754,447 2.842,448 0.962,449 -0.026,450 -0.032,452 -0.061,453 -0.025,454 1.297,455 0.592,456 2.616,457 0.901,458 -0.079,459 -0.102,461 -0.17,462 -0.076,463 14.186,464 0.473,465 0.865,466 0.029,467 42.5,468 1.417,469 24.5,470 0.817,471 18,472 0.6,473 20.732,474 0.691,475 32.014,476 0.667,477 36.551,478 1.218,479 8.689,480 0.29,481 5.618,482 0.187,483 0.138,484 0.059,485 0.282,486 1,490 0.568,491 0.931,492 0.784,493 1.049,494 0.646,495 0.843,496 0.617,497 0.978,498 0.818,499 0.962,500 0.641,501 0.975,502 0.801,503 0.805,504 1.178,505 1.065,506 0.795,507 1.029,508 0.868,509 0.942,510 1.274,511 1.25,512 0.872,513 1.096,514 1.086,515 0.891,516 0.974,517 1.012,518 1.189,519 1.041,520 0.852,521 0.959,522 0.94,523 0.947,524 0.833,525 1.055,526 0.845,527 0.918,528 0.994,529 0.986,530 0.782,531 0.979,532 1.071,533 0.815,534 1.019,535 0.948,536 1.035,537 0.914,538 7.5,539 0.157,540 4.222,541 2.5,542 1.644,543 1.25,544 0.766,545 0.495,546 0.304,547 0.198,548 11754,549 45195,550 1.985,551 37.5,553 14,556 2,557 2,561 1.725,562 1.827,563 3.637,564 0.243,566 1,570 83.302,571 1.735,572 3.459,573 4.173,574 4.903,575 5.127,576 5.127,577 3.156,578 4.282,579 4.872,580 3.837,581 1669.17,582 8.483,583 23726.1,585 1,587 1,588 268.078,589 1.636,590 4.812,591 0.234,592 0.007,593 0.094,594 0.052,595 0.035,596 0.029,597 0.021,598 0.017,599 0.011,600 0.008,601 0.509,602 0.17,603 1,604 1.312,605 156.137,607 0.043,608 0.139,609 0.043,610 -0.105,611 0.07,612 0.127,613 0.034,614 0.019,615 0.029,616 0.097,617 -0.059,618 -0.014,619 0.113,620 -0.12,621 0.014,622 0.009,623 -0.065,624 -0.088,625 -0.072,626 -0.157,627 -0.145,628 -0.044,629 -0.082,630 -0.142,631 -0.082,632 -0.043,633 -0.062,634 -0.182,635 -0.058,636 0.126,637 -0.039,638 -0.002,639 -0.007,640 0.14,641 -0.053,642 -0.049,643 0.005,644 0.049,645 0.018,646 -0.012,647 0.081,648 -0.146,649 -0.003,650 -0.033,651 0.019,652 -0.085,653 0.079,654 4.8,655 5.996,656 0.6,657 34.596,658 1.027,659 1.115,660 3.62,661 13.102,662 0.702,663 3.497,664 3.829,665 4.06,666 4.277,667 4.477,668 4.533,669 4.644,670 4.673,671 4.718,672 4.86,673 7.574,674 0.686,675 427.48,676 3.497,677 5.043,678 5.883,679 6.765,680 7.628,681 8.517,682 9.389,683 10.282,684 11.16,685 12.056,686 2.1,693 1,701 12,706 6,708 18,724 48,726 22,727 3,728 32,730 50,731 22,732 18,733 6,734 12,736 1,737 3,738 3,743 1,749 1,751 20,752 2,754 4,756 1,758 4,761 2,764 1,765 1,767 18,768 7,769 2,770 8,771 1,773 1,777 1,778 5,789 3,798 1,800 1,808 1,810 3,813 1,817 1,819 30,822 1,826 1,827 2,828 1,838 1,839 10.4,841 1,842 4,846 16.417,847 8.426,848 6.639,849 2.58,850 3.535,851 1.476,852 0.971,853 6.535,854 10.97,855 3.829,856 4.449,857 4.972,858 5.524,859 6.057,860 6.32,861 6.758,862 7.036,863 7.368,864 7.822,865 0.889,866 48,867 11.444,869 5.302,870 0.006,871 8.358,872 20.266,874 16.652,876 2.858,877 85.75,880 1,881 188.338,882 151.795,883 18.011,885 137.286,886 14.96,887 6.046,888 145.749,889 325.624,890 32.971,892 29.015,893 119.761,894 142.901,895 15.415,896 14.96,897 188.338,899 188.338,900 163.76,901 152.246,902 6.046,904 203.298,905 137.286,908 29.015,909 134.744,910 6.046,912 203.298,913 155.297,914 151.795,916 6.046,917 188.338,918 32.034,919 113.715,920 18.011,921 152.246,922 188.338,923 170.257,924 151.795,926 0.583,927 0.332,928 0.171,929 0.094,930 20,931 10,932 0.12,933 6,935 1,936 4.052,937 257.655,939 18,940 137.207,943 1,944 21.538,945 9.102,946 5.071,948 170.257,949 18.913,954 2.222,956 60.694,957 510.39,958 45,960 -3.884,962 48.134,965 -1.848,967 49.28,968 53.542,969 0.311,970 0.619,971 0.747,972 0.878,973 0.918,974 0.918,975 5.059,976 1.387,977 5.905,978 4.675,979 4.511,980 5.136,981 3.583,982 6.763,983 4.432,984 6.306,985 1.341,986 7.506,987 3.837,988 4.29,989 5.182,990 2.591,991 8.026,992 4.083,993 7.655,994 1.048,995 9.229,996 3.111,997 6.188,998 7.436,999 5.397,1000 11.106,1001 5.969,1002 9.048,1003 1,1004 11.032,1005 2.698,1006 6.792,1007 8.316,1008 4.543,1009 13.27,1010 6.382,1011 10.481,1012 1,1013 12.893,1014 2.275,1015 8.231,1016 10.118,1017 7.398,1018 16.003,1019 7.794,1020 11.944,1021 0.408,1022 14.795,1023 2.275,1024 9.202,1025 11.379,1026 6.33,1027 18.481,1028 8.555,1029 13.432,1030 -0.026,1031 16.73,1032 0.637,1033 10.492,1034 13.025,1035 9.475,1036 21.136,1037 9.777,1038 3.548,1039 -0.079,1040 18.69,1041 -0.061,1042 11.624,1043 14.461,1044 8.067,1045 23.716,1046 10.707,1047 2.877,1048 13.908,1049 20.669,1050 -0.17,1051 12.874,1052 16.056,1053 11.59,1054 26.353,1055 11.849,1056 2.624,1057 9.083,1058 22.663,1059 4.892,1060 14.076,1061 17.573,1062 9.788,1063 28.967,1064 12.864,1065 2.536,1066 8.376,1067 24.668,1068 3.899,1069 15.322,1070 19.154,1071 13.724,1072 31.601,1073 13.975,1074 2.122,1075 7.321,1076 26.682,1077 3.566,1078 16.555,1079 20.706,1080 11.506,1081 34.226,1082 15.032,1083 2.038,1084 5.658,1085 28.703,1086 3.303,1087 17.805,1088 22.286,1089 15.87,1090 36.859,1091 16.134,1092 1.784,1093 5.284,1094 30.729,1095 2.817,1096 19.053,1097 23.855,1098 13.227,1099 39.489,1100 17.213,1101 11667,1102 22995,1103 20.572,1104 33.716,1105 47.747,1106 50.896,1107 49.745,1108 47.429,1109 47.426,1110 65.255,1111 16.271,1112 138.272,1113 45.782,1114 5.802,1115 7.359,1116 7.403,1117 5.54,1118 5.548,1119 7.892,1120 5.9,1121 22.197,1122 5.075,1123 17.979,1124 1.492,1125 1.59,1126 1.555,1127 1.482,1128 1.482,1129 2.039,1130 0.508,1131 4.321,1132 1.431,1133 4.149,1134 4.127,1135 4.755,1136 4.17,1137 8.198,1138 4.085,1139 3.951,1140 3.97,1141 3.922,1142 3.903,1143 7.715,1144 3.891,1145 3.791,1146 3.816,1147 3.761,1148 3.723,1149 7.474,1150 3.71,1151 3.57,1152 3.587,1153 3.616,1154 3.441,1155 7.424,1156 3.393,1157 3.477,1158 3.479,1159 3.44,1160 3.268,1161 6.999,1162 3.289,1163 3.425,1164 3.42,1165 3.374,1166 3.233,1167 6.351,1168 3.252,1169 2.917,1170 2.986,1171 2.834,1172 2.77,1173 4.822,1174 2.767,1175 2.854,1176 2.925,1177 2.711,1178 2.735,1179 4.684,1180 2.715,1181 0.156,1182 0.167,1183 0.241,1184 0.138,1185 0.111,1186 4.996,1187 0.153,1188 5.359,1189 0.092,1190 7.723,1191 0.435,1192 4.419,1193 0.096,1194 3.548,1195 4.892,1196 2.95,1197 13.908,1198 3.075,1199 2.056,1200 2.069,1201 2.082,1202 2.095,1203 1.311,1204 2.13,1205 1.939,1206 1.921,1207 2.015,1208 2.012,1209 1.169,1210 2.025,1211 1.769,1212 1.746,1213 1.87,1214 1.873,1215 0.989,1216 1.881,1217 1.431,1218 1.421,1219 1.594,1220 1.687,1221 0.705,1222 1.664,1223 1.36,1224 1.341,1225 1.561,1226 1.612,1227 0.683,1228 1.585,1229 1.312,1230 1.316,1231 1.181,1232 1.434,1233 0.538,1234 1.482,1235 0.886,1236 0.824,1237 1.181,1238 1.114,1239 0.218,1240 1.11,1241 0.886,1242 0.821,1243 1.18,1244 1.062,1245 0.218,1246 1.107,1247 4.174,1249 5.501,1251 7.027,1253 8.643,1255 10.307,1259 12.27,1262 9.035,1263 -1.494,1264 2.401,1272 32.907,1273 83.302,1274 166.039,1275 200.304,1276 235.323,1277 246.078,1278 246.078,1279 89.967,1280 7.434,1281 100.54,1282 108.92,1283 18,1284 12.584,1285 4.524,1286 3.807,1287 55.624,1288 137,1289 152,1290 0.201,1291 206.525,1292 369.87,1293 495.681,1294 17166,1295 2.1,1296 21.725,1297 0.724,1298 0.551,1299 21.268,1300 16.525,1301 14.307,1302 0.447,1303 0.325,1304 8.929,1305 13.001,1306 8.627,1307 7.125,1308 14.558,1309 10.405,1310 13.244,1311 0.294,1312 0.186,1313 14.424,1314 8.383,1315 10.454,1316 0.183,1317 0.11,1318 11.164,1319 6.262,1320 8.343,1321 0.118,1322 0.063,1323 9.497,1324 4.46,1325 6.58,1326 0.076,1327 0.036,1328 7.458,1329 3.099,1330 0.322,1331 97.929,1332 0.22,1333 28.67,1334 0.535,1335 154,1336 592.396,1337 209.004,1338 561.291,1339 726.62,1340 514,1341 179,1342 464.976,1343 239.281,1344 506.289,1345 733.93,1346 473,1347 5}
{0 CHEMBL233625,1 1.743,2 15.207,3 1.829,4 3.345,5 109.825,6 8.31,7 0.4,8 3.998,9 4.09,10 3.671,11 3.534,12 5.243,13 3.513,14 4.495,15 4.635,16 3.962,17 3.859,18 5.75,19 3.809,20 4.671,21 4.841,22 4.024,23 3.973,24 5.879,25 3.9,26 4.725,27 4.919,28 3.98,29 3.911,30 6.013,31 3.845,32 4.692,33 4.898,34 3.887,35 3.833,36 5.956,37 3.784,38 4.595,39 4.78,40 3.916,41 3.802,42 6.11,43 3.727,44 4.516,45 4.722,46 3.739,47 3.729,48 5.686,49 3.64,50 4.437,51 4.642,52 3.681,53 3.613,54 5.78,55 3.53,56 0.127,57 0.692,58 9.084,59 4.795,60 19.104,61 5.296,62 0.531,63 1.054,64 20.945,65 7.837,66 61.499,67 8.75,68 0.543,69 1.248,70 26.011,71 9.605,72 53.353,73 11.046,74 0.655,75 1.281,76 29.521,77 9.489,78 77.738,79 11.213,80 0.607,81 1.156,82 25.826,83 8.752,84 86.551,85 10.589,86 0.735,87 1.094,88 25.628,89 8.621,90 140.034,91 10.373,92 0.39,93 1.027,94 24.419,95 8.356,96 49.904,97 10.1,98 0.563,99 0.928,100 20.422,101 6.87,102 89.587,103 8.262,104 42,105 38,106 0.294,107 0.662,108 0.824,109 0.888,110 0.902,111 0.902,112 3.407,113 0.978,114 -2.14,115 -2.19,116 -2.17,118 40,120 1,123 1,124 4,137 5,138 3,139 1,140 1,142 1,150 3,158 1,161 1,162 6,163 1,166 7,169 2,171 4,174 7,175 1,178 1,179 5,184 4,185 1,187 3,188 2,191 1,192 9,195 2,196 1,197 4,200 4,201 1,204 4,205 2,209 1,212 5,213 1,216 3,217 6,220 3,222 2,225 6,226 1,231 5,232 1,236 1,239 3,240 1,244 2,245 5,248 1,250 2,253 3,258 1,259 2,267 2,268 1,272 1587,273 19.621,274 19.621,275 19.621,276 19.621,277 19.621,278 17.845,279 22.187,280 12.185,281 20.296,282 14.715,283 14.715,284 14.715,285 14.715,286 14.715,287 11.854,288 23.018,289 5.706,290 15.675,291 3.901,292 1.72,293 0.757,294 0.375,295 0.295,296 0.295,297 4.076,300 1,301 1,302 894,303 4.301,307 227.894,314 2.614,315 41.052,318 1,319 0.83,320 0.83,321 1,322 0.5,323 0.67,324 0.5,325 0.76,326 64.5,327 441,328 4.398,329 4.406,330 6.45,331 4.023,332 3.034,333 4.041,334 2.95,335 9.959,336 2.996,337 4.172,338 4.059,339 6.022,340 3.78,341 2.789,342 3.759,343 2.035,344 8.565,345 2.768,346 3.831,347 3.634,348 5.319,349 3.314,350 2.406,351 3.13,352 1.437,353 6.88,354 2.272,355 3.717,356 3.538,357 5.237,358 3.267,359 2.282,360 3.036,361 1.058,362 6.547,363 2.135,364 3.327,365 2.79,366 4.922,367 2.902,368 1.933,369 2.513,370 0.86,371 5.365,372 1.856,373 2.986,374 2.682,375 4.079,376 2.762,377 1.867,378 1.909,379 0.86,380 3.744,381 1.659,382 2.888,383 2.444,384 3.868,385 2.461,386 1.548,387 1.817,389 3.402,390 1.393,391 2.771,392 2.227,393 3.612,394 2.273,395 1.294,396 1.532,398 2.93,399 1.248,400 2.535,401 2.035,402 3.525,403 2.005,404 1.009,405 1.5,407 2.424,408 0.994,409 2.531,410 1.991,411 3.414,412 1.959,413 1,414 1.475,416 2.275,417 0.956,418 2.5,419 1.349,420 3.084,421 1.844,422 1,423 1.079,425 1.924,426 0.831,427 2.064,428 1.095,429 2.942,430 1.528,431 0.576,432 1.032,434 0.999,435 0.544,436 1.522,437 1,438 2.666,439 1.311,440 0.453,441 0.476,443 0.803,444 0.382,445 1.427,446 0.781,447 2.492,448 0.919,449 -0.025,450 -0.031,452 -0.048,453 -0.023,454 1.061,455 0.685,456 2.255,457 0.774,458 -0.142,459 -0.175,461 -0.266,462 -0.13,463 13.7,464 0.472,465 0.541,466 0.019,467 37,468 1.276,469 19,470 0.655,471 18,472 0.621,473 22.425,474 0.773,475 31.9,476 0.638,477 29.189,478 1.007,479 7.426,480 0.256,481 6.619,482 0.228,483 0.139,485 0.255,490 0.824,491 1.223,492 0.742,493 1.028,494 0.636,495 0.946,496 1.023,497 1.052,498 1.057,499 1.014,500 0.549,501 0.933,502 0.927,503 1.165,504 1.087,505 1.098,506 0.759,507 1.013,508 0.94,509 1.036,510 1.138,511 1.132,512 1.046,513 1.026,514 1.219,515 0.894,516 0.803,517 0.771,518 1.192,519 0.828,520 0.733,521 0.965,522 0.978,523 1.075,524 0.722,525 1.003,526 0.811,527 1.141,528 1.038,529 1.18,530 0.744,531 1.03,532 1.05,533 0.853,534 0.932,535 0.799,536 1.028,537 0.899,538 5,539 0.128,540 2.667,541 1.313,542 1.396,543 1.049,544 0.425,545 0.358,546 0.258,547 0.157,548 11494,549 40422,550 1.957,551 42,553 16,555 1,556 2,559 2,561 1.713,562 1.832,563 3.823,564 0.296,565 1,566 1,570 87.151,571 1.743,572 3.924,573 4.886,574 5.269,575 5.349,576 5.349,577 3.401,578 4.582,579 4.817,580 4.024,581 1633.86,582 8.362,583 24215,585 1,587 1,588 282.193,589 1.384,590 4.785,591 0.167,592 0.006,593 0.07,594 0.033,595 0.038,596 0.03,597 0.013,598 0.012,599 0.01,600 0.007,601 0.386,602 0.33,603 0.88,604 2.116,605 152.826,606 -0.085,607 -0.091,608 0.037,609 -0.002,610 -0.037,611 0.004,612 -0.043,613 0.004,614 -0.043,615 0.065,616 0.09,617 0.036,618 -0.048,619 -0.13,620 -0.051,621 -0.028,622 -0.003,623 -0.019,625 0.006,626 -0.077,627 -0.109,628 -0.026,629 -0.054,630 -0.165,631 0.041,632 0.087,633 0.12,634 -0.076,635 0.138,636 0.249,637 0.025,638 0.074,639 -0.036,640 0.379,641 -0.011,642 -0.02,643 -0.155,644 0.026,645 -0.117,646 0.015,647 0.002,648 -0.036,649 0.141,650 0.053,651 0.151,652 0.048,653 0.064,654 2.895,655 5.398,656 0.414,657 39.313,658 1.019,659 1.124,660 0.914,661 0.836,662 0.676,663 3.434,664 3.664,665 3.85,666 4.007,667 4.205,668 4.22,669 4.22,670 4.19,671 4.22,672 4.29,673 8.493,674 0.651,675 415.51,676 3.434,677 4.92,678 5.72,679 6.55,680 7.376,681 8.216,682 9.055,683 9.902,684 10.747,685 11.6,686 6,693 1,695 1,696 1,701 6,702 1,706 5,708 12,710 1,714 1,716 1,724 50,726 15,727 1,728 30,730 51,731 20,732 11,733 3,734 3,735 2,737 2,738 2,749 1,750 1,751 13,752 6,754 2,758 2,761 2,764 1,767 21,768 8,769 2,770 9,771 1,773 3,777 1,778 5,782 1,789 2,808 1,809 2,810 2,811 1,813 1,815 1,819 29,826 1,827 5,828 1,829 2,830 1,834 1,836 1,837 1,839 10,841 1,842 2,843 2,846 15.833,847 9.183,848 6.833,849 2.772,850 2.467,851 1.354,852 0.906,853 9.456,854 9.431,855 3.714,856 4.174,857 4.687,858 5.16,859 5.678,860 5.88,861 6.062,862 6.144,863 6.303,864 6.66,865 1,866 40,867 10.706,869 4.394,870 0.006,871 8.121,872 19.677,874 14.982,876 2.621,877 76,881 223.651,882 152.394,883 65.856,885 114.973,887 32.22,888 120.175,889 338.624,890 65.856,891 10.883,892 35.222,893 47.381,894 165.746,895 52.42,896 1.122,897 244.099,899 223.651,900 186.03,901 114.973,902 32.22,904 200.109,905 116.515,906 22,908 75.329,909 93.916,910 16.786,911 32.22,912 223.651,913 180.829,914 152.394,917 223.651,918 68.481,919 67.312,920 34.612,921 162.818,922 223.651,923 180.829,924 152.394,926 0.553,927 0.313,928 0.158,929 0.088,930 13,931 7,932 0.216,933 11,935 1,936 4.167,937 221.471,939 12,940 138.881,941 1,944 22.702,945 12.079,946 7.393,948 180.829,949 8.864,950 4.255,954 1.257,956 60.694,957 556.874,958 40,962 23.758,965 -1.707,967 50.971,968 56.199,969 0.309,970 0.695,971 0.866,972 0.934,973 0.948,974 0.948,975 4.913,976 1.294,977 5.659,978 3.402,979 4.344,980 4.86,981 3.584,982 6.382,983 4.247,984 6.083,985 1.009,986 7.166,987 2.93,988 3.761,989 4.527,991 7.159,992 3.699,993 7.357,994 1,995 8.778,996 2.424,997 5.844,998 6.949,999 5.298,1000 10.215,1001 5.698,1002 8.668,1003 1,1004 10.454,1005 2.275,1006 6.111,1007 7.469,1009 11.847,1010 6.015,1011 10.012,1012 0.576,1013 12.172,1014 1.924,1015 7.623,1016 9.344,1017 7.302,1018 14.406,1019 7.464,1020 11.379,1021 0.453,1022 13.919,1023 0.999,1024 8.302,1025 10.255,1027 16.394,1028 8.182,1029 12.765,1030 -0.025,1031 15.686,1032 0.803,1033 9.569,1034 11.891,1035 9.401,1036 18.777,1037 9.408,1038 3.034,1039 -0.142,1040 17.469,1041 -0.048,1042 10.455,1043 13.006,1045 20.925,1046 10.318,1047 2.789,1048 9.959,1049 19.264,1050 -0.266,1051 11.615,1052 14.523,1053 11.536,1054 23.243,1055 11.452,1056 2.406,1057 8.565,1058 21.068,1059 4.041,1060 12.605,1061 15.75,1063 25.465,1064 12.452,1065 2.282,1066 6.88,1067 22.88,1068 3.759,1069 13.72,1070 17.204,1071 13.687,1072 27.76,1073 13.55,1074 1.933,1075 6.547,1076 24.698,1077 3.13,1078 14.761,1079 18.496,1081 30.016,1082 14.592,1083 1.867,1084 5.365,1085 26.522,1086 3.036,1087 15.86,1088 19.917,1089 15.844,1090 32.305,1091 15.677,1092 1.548,1093 3.744,1094 28.35,1095 2.513,1096 16.927,1097 21.247,1099 34.579,1100 16.74,1101 11712,1102 22145,1103 19.474,1104 33.79,1105 44.004,1106 48.877,1107 44.412,1108 42.334,1109 42.383,1110 54.596,1111 18.399,1112 111.634,1113 40.072,1114 5.33,1115 6.406,1116 6.421,1117 5.142,1118 5.034,1119 7.041,1120 5.9,1121 16.628,1122 4.996,1123 16.448,1124 1.467,1125 1.629,1126 1.48,1127 1.411,1128 1.413,1129 1.82,1130 0.613,1131 3.721,1132 1.336,1133 3.984,1134 4.007,1135 4.025,1136 3.903,1137 7.475,1138 3.907,1139 3.863,1140 3.888,1141 3.911,1142 3.8,1143 7.429,1144 3.786,1145 3.672,1146 3.714,1147 3.631,1148 3.502,1149 6.82,1150 3.48,1151 3.489,1152 3.541,1153 3.46,1154 3.297,1155 6.351,1156 3.288,1157 3.365,1158 3.396,1159 3.329,1160 3.167,1161 4.841,1162 3.2,1163 3.293,1164 3.29,1165 3.235,1166 3.051,1167 4.699,1168 3.078,1169 3.129,1170 3.206,1171 3.092,1172 2.914,1173 4.646,1174 2.915,1175 3.043,1176 3.084,1177 2.945,1178 2.83,1179 4.453,1180 2.826,1181 0.147,1182 0.147,1183 0.215,1184 0.134,1185 0.101,1186 4.398,1187 0.135,1188 4.406,1189 0.098,1190 6.45,1191 0.332,1192 4.023,1193 0.1,1194 3.034,1195 4.041,1196 2.95,1197 9.959,1198 2.996,1199 1.929,1200 1.91,1201 2.001,1202 2.031,1203 1.201,1204 2.022,1205 1.83,1206 1.807,1207 1.905,1208 1.931,1209 1.101,1210 1.936,1211 1.618,1212 1.571,1213 1.856,1214 1.851,1215 0.984,1216 1.852,1217 1.449,1218 1.396,1219 1.733,1220 1.692,1221 0.95,1222 1.714,1223 1.251,1224 1.224,1225 1.508,1226 1.483,1227 0.563,1228 1.456,1229 1.133,1230 1.124,1231 1.325,1232 1.439,1233 0.502,1234 1.428,1235 1.096,1236 1.016,1237 1.245,1238 1.401,1239 0.289,1240 1.361,1241 0.982,1242 0.941,1243 1.207,1244 1.172,1245 0.227,1246 1.186,1247 4.111,1249 5.361,1251 6.804,1253 8.34,1255 9.932,1257 1.629,1262 9.278,1263 3.502,1264 2.553,1265 10.288,1266 1.557,1270 8.894,1271 1.872,1272 32.567,1273 87.151,1274 196.213,1275 244.319,1276 263.438,1277 267.438,1278 267.438,1279 87.37,1280 6.964,1281 121.54,1282 146.84,1283 12,1284 12.158,1285 4,1286 3.459,1287 66.181,1288 145,1289 186,1290 0.219,1291 210.052,1292 377.1,1293 504.286,1294 10092,1296 21.062,1297 0.726,1298 0.576,1299 21.416,1300 16.699,1301 14.045,1302 0.468,1303 0.326,1304 8.708,1305 12.86,1306 8.422,1307 6.984,1308 14.499,1309 9.777,1310 11.659,1311 0.307,1312 0.183,1313 12.269,1314 6.939,1315 9.177,1316 0.199,1317 0.104,1318 9.812,1319 4.771,1320 6.945,1321 0.129,1322 0.056,1323 7.512,1324 3.039,1325 5.48,1326 0.083,1327 0.032,1328 6.032,1329 2.093,1330 0.36,1331 93.968,1332 0.227,1333 28.619,1334 0.556,1335 136,1336 521.575,1337 175.042,1338 510.782,1339 658.67,1340 474,1341 152,1342 423.851,1343 183.443,1344 442.67,1345 634.96,1346 411,1347 6.155}
{0 CHEMBL247241,1 1.762,2 11.552,3 1.532,4 2.347,5 103.958,6 8.581,7 0.387,8 4.015,9 4.09,10 3.82,11 3.53,12 5.194,13 3.525,14 4.556,15 4.68,16 4.131,17 3.9,18 5.978,19 3.883,20 4.77,21 4.91,22 4.228,23 4.079,24 6.042,25 4.031,26 4.895,27 5.048,28 4.199,29 4.05,30 6.273,31 4.018,32 4.859,33 5.026,34 4.136,35 3.954,36 6.306,37 3.942,38 4.713,39 4.877,40 3.98,41 3.89,42 6.292,43 3.846,44 4.664,45 4.852,46 3.833,47 3.829,48 5.902,49 3.761,50 4.581,51 4.773,52 3.826,53 3.694,54 5.849,55 3.64,56 0.218,57 0.707,58 10.827,59 4.898,60 30.145,61 5.037,62 0.778,63 1.1,64 18.973,65 7.792,66 88.116,67 8.373,68 0.717,69 1.369,70 30.031,71 10.908,72 71.945,73 11.307,74 1.04,75 1.412,76 34.408,77 11.214,78 146.506,79 11.712,80 1.286,81 1.28,82 31.17,83 9.971,84 161.397,85 11.549,86 1.068,87 1.157,88 24.367,89 9.148,90 171.647,91 10.893,92 0.788,93 1.104,94 23.669,95 8.835,96 93.867,97 10.526,98 0.686,99 1.007,100 24.136,101 8.185,102 88.235,103 9.383,104 41,105 44,106 0.297,107 0.646,108 0.787,109 0.855,110 0.855,111 0.855,112 3.408,113 0.985,114 -1.92,115 -1.97,116 -1.97,118 38.8,123 1,124 4,137 7,138 2,139 3,150 2,158 1,161 1,162 6,163 1,165 3,166 4,169 2,171 4,174 6,175 1,178 1,179 11,184 5,185 1,187 4,188 1,192 10,193 1,195 1,196 1,197 2,200 2,201 1,203 3,204 7,205 1,207 2,209 2,212 6,213 1,216 4,217 3,220 4,222 1,225 6,226 2,230 1,231 5,236 2,239 4,240 1,245 10,250 1,253 2,254 1,258 1,259 8,260 3,262 1,264 1,272 1323,273 19.126,274 19.126,275 19.126,276 19.126,277 19.126,278 17.202,279 24.057,280 11.138,281 19.704,282 15.199,283 15.199,284 15.199,285 15.199,286 15.199,287 12.038,288 29.183,289 5.15,290 15.998,291 3.853,292 1.783,293 0.947,294 0.546,295 0.546,296 0.546,297 4.083,300 1,301 1,302 702,303 4.123,307 310.093,314 1.667,315 56.448,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 66,327 335,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 1.437,335 13.624,336 3.219,337 4.386,338 3.639,339 6.45,340 4.017,341 3.031,342 4.022,343 1.058,344 9.96,345 2.982,346 4.117,347 3.537,348 6.046,349 3.752,350 2.747,351 3.65,352 0.86,353 8.636,354 2.754,355 3.627,356 2.865,357 5.54,358 3.232,359 2.291,360 2.962,361 0.86,362 6.614,363 2.146,364 3.461,365 2.707,366 5.238,367 3.139,368 2.197,369 2.721,370 0.4,371 6.45,372 2.066,373 3.249,374 2.459,375 4.929,376 2.911,377 1.948,378 2.435,380 5.371,381 1.854,382 3.065,383 2.199,384 4.408,385 2.667,386 1.692,387 2.111,389 4.295,390 1.636,391 2.682,392 1.953,393 3.99,394 2.228,395 1.287,396 1.709,398 3.127,399 1.202,400 2.543,401 1.364,402 3.614,403 2.043,404 1.043,405 1.509,407 2.586,408 1.037,409 2.53,410 1.321,411 3.545,412 2.005,413 1,414 1.475,416 2.426,417 0.994,418 2.236,419 1.256,420 3.454,421 1.952,422 1,423 1.186,425 2.407,426 0.946,427 2,428 1.143,429 3.247,430 1.928,431 1,432 1,434 2.136,435 0.918,436 1.755,437 1.095,438 2.959,439 1.448,440 0.562,441 0.638,443 0.955,444 0.49,445 1.217,446 0.604,447 2.797,448 0.88,449 -0.075,450 -0.091,452 -0.15,453 -0.071,454 1,455 0.414,456 2.635,457 0.336,458 -0.65,459 -0.744,461 -1.56,462 -0.62,463 13.467,464 0.464,465 0.848,466 0.029,467 37.75,468 1.302,469 19,470 0.655,471 18.75,472 0.647,473 22.319,474 0.77,475 32.733,476 0.668,477 33.645,478 1.16,479 7.741,480 0.267,481 6.083,482 0.21,483 0.161,484 0.062,485 0.29,490 0.71,491 1.411,492 0.785,493 1.304,494 0.678,495 0.972,496 0.847,497 0.976,498 0.824,499 0.831,500 0.544,501 0.839,502 0.975,503 1.233,504 1.311,505 1.302,506 0.811,507 1.052,508 1.23,509 1.134,510 1.279,511 1.205,512 1.469,513 1.08,514 1.03,515 0.926,516 0.862,517 0.886,518 1.362,519 0.908,520 0.714,521 0.908,522 0.85,523 0.925,524 0.767,525 1.045,526 0.925,527 0.989,528 0.878,529 0.917,530 0.934,531 1.049,532 1.063,533 1.068,534 0.952,535 1.001,536 1.083,537 0.966,538 7,539 0.161,540 4.222,541 2.5,542 1.822,543 1.389,544 0.567,545 0.455,546 0.349,547 0.297,548 10053,549 35923,550 1.985,551 40.8,553 18,556 2,561 1.721,562 1.822,563 3.487,564 0.33,565 1,566 1,570 86.32,571 1.762,572 3.832,573 4.668,574 5.069,575 5.069,576 5.069,577 2.905,578 4.513,579 4.832,580 3.626,581 1472.32,582 8.421,583 19855.7,585 1,587 1,588 275.121,589 1.658,590 4.76,591 0.226,592 0.007,593 0.096,594 0.052,595 0.04,596 0.032,597 0.015,598 0.014,599 0.012,600 0.011,601 0.505,602 0.33,603 0.88,604 0.904,605 147.124,606 -0.025,607 -0.191,608 0.176,609 -0.106,610 -0.113,611 0.007,612 0.062,613 0.141,614 0.077,615 0.177,616 0.172,617 0.094,618 -0.135,619 -0.111,620 -0.146,621 -0.104,622 -0.015,623 -0.05,624 -0.2,625 -0.098,626 -0.192,627 -0.139,628 -0.209,629 -0.119,630 0.049,631 0.016,632 0.049,633 0.025,634 -0.103,635 0.047,636 0.216,637 0.07,638 -0.019,639 -0.019,640 0.267,641 -0.078,642 -0.069,643 -0.031,644 -0.025,645 -0.005,646 -0.084,647 -0.052,648 -0.133,649 -0.099,650 0.063,651 -0.015,652 -0.098,653 0.034,654 4.675,655 5.781,656 0.621,657 25.883,658 1.031,659 1.125,660 0.686,661 0.47,662 0.667,663 3.466,664 3.807,665 4.06,666 4.248,667 4.466,668 4.454,669 4.511,670 4.477,671 4.511,672 4.605,673 6.693,674 0.653,675 420.48,676 3.466,677 5.017,678 5.866,679 6.749,680 7.62,681 8.505,682 9.384,683 10.27,684 11.151,685 12.038,686 4.1,689 1,693 1,701 7,706 5,708 12,714 1,716 1,722 1,724 49,726 16,727 2,728 31,730 51,731 19,732 12,733 5,734 7,735 2,737 3,738 3,751 14,752 5,754 4,756 1,758 4,761 2,764 1,767 20,768 9,769 2,770 10,771 1,773 2,777 1,778 7,789 3,808 1,809 1,810 3,813 1,815 1,819 29,823 1,826 1,827 4,828 1,829 2,832 1,839 14.3,841 1,842 4,843 1,844 1,846 15.917,847 8.9,848 6.417,849 2.651,850 2.483,851 1.343,852 0.944,853 6.547,854 9.715,855 3.738,856 4.331,857 4.832,858 5.301,859 5.809,860 5.971,861 6.234,862 6.291,863 6.482,864 6.865,865 0.875,866 48,867 11.08,869 5.1,870 0.006,871 8.261,872 19.718,874 16.053,876 2.761,877 80.083,881 211.88,882 117.957,883 19.529,885 159.286,887 5.807,888 112.15,889 371.166,890 19.529,891 10.883,892 31.407,893 72.141,894 153.901,895 28.441,897 211.88,899 211.88,900 131.679,901 159.286,902 5.807,904 211.88,905 148.286,906 11,908 32.925,909 98.753,910 5.807,912 211.88,913 178.815,914 117.957,916 5.807,917 211.88,918 34.933,919 78.735,920 18.011,921 159.286,922 211.88,923 178.815,924 117.957,926 0.587,927 0.349,928 0.178,929 0.099,930 20,931 10,932 0.118,933 6,935 1,936 3.889,937 251.121,939 18,940 134.881,943 1,944 21.272,945 8.925,946 4.765,948 178.815,949 9.82,954 0.338,956 60.694,957 508.652,958 41,960 -3.759,962 49.665,965 -1.862,967 50.524,968 55.119,969 0.314,970 0.682,971 0.831,972 0.903,973 0.903,974 0.903,975 4.99,976 1.287,977 5.894,978 4.295,979 4.489,980 5.017,981 2.365,982 6.765,983 4.398,984 6.226,985 1.043,986 7.508,987 3.127,988 4.29,989 5.139,991 8.04,992 4.145,993 7.58,994 1,995 9.244,996 2.586,997 6.184,998 7.308,999 2.658,1000 11.11,1001 5.995,1002 8.98,1003 1,1004 11.056,1005 2.426,1006 6.815,1007 8.258,1009 13.25,1010 6.549,1011 10.421,1012 1,1013 12.92,1014 2.407,1015 8.247,1016 9.994,1017 3.136,1018 15.956,1019 7.935,1020 11.89,1021 0.562,1022 14.822,1023 2.136,1024 9.227,1025 11.28,1027 18.4,1028 8.825,1029 13.383,1030 -0.075,1031 16.752,1032 0.955,1033 10.508,1034 12.88,1035 3.729,1036 21.022,1037 10.047,1038 3.515,1039 -0.65,1040 18.703,1041 -0.15,1042 11.636,1043 14.308,1045 23.571,1046 11.08,1047 3.031,1048 13.624,1049 20.671,1050 -1.56,1051 12.875,1052 15.865,1053 4.386,1054 26.178,1055 12.244,1056 2.747,1057 9.96,1058 22.652,1059 4.763,1060 14.065,1061 17.356,1063 28.765,1064 13.338,1065 2.291,1066 8.636,1067 24.644,1068 4.022,1069 15.296,1070 18.902,1071 5.077,1072 31.371,1073 14.484,1074 2.197,1075 6.614,1076 26.644,1077 3.65,1078 16.514,1079 20.424,1081 33.972,1082 15.605,1083 1.948,1084 6.45,1085 28.652,1086 2.962,1087 17.748,1088 21.969,1089 5.784,1090 36.58,1091 16.747,1092 1.692,1093 5.371,1094 30.665,1095 2.721,1096 18.98,1097 23.507,1099 39.187,1100 17.882,1101 9927,1102 18912,1103 19.879,1104 32.693,1105 46.782,1106 49.405,1107 48.369,1108 46.613,1109 46.624,1110 60.364,1111 9.23,1112 137.172,1113 44.49,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 2.873,1121 21.624,1122 5.219,1123 16.945,1124 1.509,1125 1.594,1126 1.56,1127 1.504,1128 1.504,1129 1.947,1130 0.298,1131 4.425,1132 1.435,1133 4.105,1134 4.09,1135 4.742,1136 4.081,1137 7.715,1138 4.003,1139 3.942,1140 3.954,1141 3.923,1142 3.857,1143 7.475,1144 3.858,1145 3.771,1146 3.806,1147 3.747,1148 3.644,1149 7.429,1150 3.622,1151 3.515,1152 3.495,1153 3.515,1154 3.348,1155 6.999,1156 3.317,1157 3.351,1158 3.373,1159 3.282,1160 3.091,1161 6.351,1162 3.123,1163 3.272,1164 3.276,1165 3.232,1166 3.015,1167 4.845,1168 3.054,1169 3.136,1170 3.206,1171 2.972,1172 2.941,1173 4.666,1174 2.91,1175 3.111,1176 3.188,1177 2.866,1178 2.894,1179 4.603,1180 2.898,1181 0.159,1182 0.152,1183 0.247,1184 0.143,1185 0.113,1186 4.934,1187 0.154,1188 4.726,1189 0.046,1190 7.668,1191 0.439,1192 4.437,1193 0.104,1194 3.515,1195 4.763,1196 1.437,1197 13.624,1198 3.219,1199 1.983,1200 1.99,1201 2.012,1202 2.071,1203 1.28,1204 2.097,1205 1.892,1206 1.879,1207 1.96,1208 2.004,1209 1.113,1210 1.999,1211 1.704,1212 1.67,1213 1.889,1214 1.902,1215 1.074,1216 1.903,1217 1.344,1218 1.366,1219 1.573,1220 1.579,1221 0.825,1222 1.575,1223 1.231,1224 1.196,1225 1.513,1226 1.508,1227 0.58,1228 1.522,1229 1.153,1230 1.105,1231 1.312,1232 1.409,1233 0.551,1234 1.429,1235 1.117,1236 1.064,1237 1.244,1238 1.376,1239 0.301,1240 1.363,1241 1.075,1242 1.024,1243 1.158,1244 1.342,1245 0.227,1246 1.328,1247 4.143,1249 5.476,1251 7.015,1253 8.64,1255 10.311,1257 1.402,1262 9.362,1263 1.114,1264 2.514,1265 10.183,1268 1.305,1272 31.975,1273 86.32,1274 187.764,1275 228.714,1276 248.366,1277 248.366,1278 248.366,1279 88.966,1280 7.232,1281 122.24,1282 130.62,1283 18,1284 12.57,1285 4.087,1286 3.459,1287 52.439,1288 117,1289 116,1290 0.22,1291 200.119,1292 359.3,1293 480.05,1294 13229,1296 21.018,1297 0.725,1298 0.567,1299 21.268,1300 16.439,1301 13.824,1302 0.446,1303 0.328,1304 8.664,1305 12.263,1306 8.379,1307 6.891,1308 14.612,1309 10.174,1310 12.748,1311 0.29,1312 0.185,1313 14.067,1314 8.153,1315 10.494,1316 0.184,1317 0.111,1318 11.822,1319 6.304,1320 8.109,1321 0.118,1322 0.063,1323 9.214,1324 4.319,1325 6.593,1326 0.077,1327 0.034,1328 7.596,1329 2.938,1330 0.344,1331 96.637,1332 0.224,1333 27.432,1334 0.604,1335 150,1336 577.401,1337 211.063,1338 555.088,1339 725.99,1340 510,1341 176,1342 475.772,1343 243.414,1344 514.043,1345 750.2,1346 479,1347 5.092}
{0 CHEMBL247242,1 1.891,2 10.893,3 1.754,4 3.076,5 97.712,6 9.076,7 0.4,8 3.939,9 4.011,10 3.791,11 3.478,12 5.163,13 3.477,14 4.478,15 4.592,16 4.117,17 3.854,18 5.981,19 3.843,20 4.733,21 4.879,22 4.202,23 4.018,24 6.072,25 3.977,26 4.824,27 4.977,28 4.166,29 3.952,30 6.266,31 3.938,32 4.749,33 4.901,34 4.109,35 3.837,36 6.383,37 3.852,38 4.602,39 4.762,40 3.901,41 3.793,42 6.239,43 3.755,44 4.53,45 4.718,46 3.799,47 3.745,48 5.86,49 3.68,50 4.47,51 4.648,52 3.778,53 3.596,54 5.818,55 3.556,56 0.247,57 0.723,58 8.847,59 4.532,60 42.954,61 4.283,62 0.748,63 1.137,64 14.929,65 7.283,66 96.84,67 7.309,68 0.865,69 1.44,70 28.587,71 10.613,72 117.053,73 10.27,74 1.176,75 1.388,76 32.022,77 10.489,78 194.273,79 10.024,80 1.412,81 1.224,82 26.721,83 8.776,84 224.208,85 9.174,86 1.106,87 1.12,88 20.973,89 8.32,90 194.291,91 9.276,92 0.746,93 1.048,94 19.493,95 8.243,96 113.001,97 9.718,98 0.745,99 0.979,100 20.319,101 7.395,102 108.143,103 7.745,104 38,105 43,106 0.324,107 0.662,108 0.783,109 0.858,110 0.858,111 0.858,112 3.375,113 0.975,114 -2.54,115 -2.56,116 -2.5,118 40,124 4,137 7,138 2,139 3,150 2,158 1,161 1,162 6,163 1,165 3,166 2,169 2,171 4,174 6,175 1,178 1,179 9,184 5,185 1,187 4,188 1,192 10,195 1,196 1,197 2,200 2,201 1,203 2,204 7,205 1,209 2,212 6,213 1,216 4,217 3,220 4,222 1,225 6,226 2,231 4,236 2,239 4,240 1,245 8,250 1,253 2,254 1,258 1,259 7,260 3,262 1,264 1,272 1198,273 18.256,274 18.256,275 18.256,276 18.256,277 18.256,278 16.279,279 21.371,280 10.636,281 18.717,282 14.771,283 14.771,284 14.771,285 14.771,286 14.771,287 11.615,288 25.194,289 5.002,290 15.504,291 3.601,292 1.629,293 0.926,294 0.489,295 0.489,296 0.489,297 4.049,300 1,301 1,302 640,303 4,307 296.187,314 1.63,315 62.53,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 64.5,327 305,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 1.437,335 13.624,336 3.219,337 4.38,338 3.64,339 6.446,340 4.011,341 3.025,342 4.015,343 1.058,344 9.938,345 2.975,346 4.115,347 3.538,348 6.045,349 3.749,350 2.744,351 3.649,352 0.86,353 8.63,354 2.751,355 3.563,356 2.915,357 5.539,358 3.142,359 2.207,360 2.902,361 0.4,362 6.513,363 2.067,364 3.46,365 2.707,366 4.964,367 3.126,368 2.176,369 2.721,371 5.832,372 2.041,373 3.238,374 2.463,375 4.929,376 2.9,377 1.942,378 2.424,380 5.368,381 1.836,382 3.063,383 2.199,384 4.407,385 2.661,386 1.686,387 2.11,389 4.291,390 1.629,391 2.681,392 1.952,393 3.986,394 2.226,395 1.285,396 1.708,398 3.116,399 1.2,400 2.542,401 1.353,402 3.61,403 2.038,404 1.033,405 1.505,407 2.582,408 1.032,409 2.53,410 1.321,411 3.545,412 2.005,413 1,414 1.475,416 2.423,417 0.994,418 2.236,419 1.256,420 3.454,421 1.952,422 1,423 1.186,425 2.406,426 0.946,427 2,428 1.095,429 3.247,430 1.928,431 1,432 1,434 2.136,435 0.918,436 1.485,437 0.82,438 2.846,439 1.102,440 0.144,441 0.18,443 0.342,444 0.134,445 1,446 0.433,447 2.757,448 0.342,449 -0.609,450 -0.735,452 -1.527,453 -0.552,454 0.82,455 0.168,456 2.474,457 0.285,458 -0.688,459 -0.764,461 -1.628,462 -0.645,463 12.919,464 0.461,465 0.886,466 0.032,467 36.5,468 1.304,469 18.5,470 0.661,471 18,472 0.643,473 21.03,474 0.751,475 31.481,476 0.7,477 32.434,478 1.158,479 7.46,480 0.266,481 5.826,482 0.208,483 0.151,484 0.065,485 0.302,488 1,490 0.647,491 1.194,492 0.757,493 1.248,494 0.648,495 0.926,496 0.709,497 0.987,498 0.798,499 0.897,500 0.53,501 0.905,502 0.968,503 1.142,504 1.33,505 1.289,506 0.837,507 1.059,508 1.203,509 0.996,510 1.287,511 1.162,512 1.343,513 1.038,514 1.02,515 0.785,516 0.884,517 0.87,518 1.203,519 0.906,520 0.706,521 0.783,522 0.879,523 0.871,524 0.77,525 1.042,526 0.638,527 0.926,528 0.743,529 0.97,530 0.57,531 1.073,532 1.054,533 1.032,534 1.016,535 1.041,536 1.004,537 1.037,538 7,539 0.153,540 4.222,541 2.5,542 1.782,543 1.215,544 0.567,545 0.424,546 0.349,547 0.297,548 9120,549 35810,550 1.984,551 37.8,553 15,556 2,561 1.712,562 1.816,563 3.419,564 0.353,565 1,566 1,570 85.078,571 1.891,572 3.863,573 4.566,574 5.003,575 5.003,576 5.003,577 2.867,578 4.138,579 4.782,580 3.566,581 1347.85,582 8.321,583 17681.4,585 1,587 1,588 247.133,589 1.678,590 4.706,591 0.233,592 0.007,593 0.098,594 0.054,595 0.041,596 0.03,597 0.016,598 0.014,599 0.012,600 0.012,601 0.518,602 0.33,603 1,604 0.82,605 140.14,606 -0.027,607 -0.125,608 0.161,609 -0.077,610 -0.094,611 0.025,612 0.08,613 0.016,614 0.052,615 0.099,616 0.15,617 0.015,618 -0.142,619 -0.097,620 -0.166,621 -0.111,622 -0.038,623 -0.055,624 -0.216,625 -0.084,626 -0.185,627 -0.108,628 -0.213,629 -0.072,630 0.047,631 0.079,632 0.026,633 0.032,634 -0.029,635 0.036,636 0.186,637 0.129,638 -0.048,639 0.03,640 0.177,641 -0.067,642 0.078,643 -0.085,644 0.107,645 -0.044,646 0.092,647 -0.022,648 -0.162,649 -0.164,650 0.001,651 -0.055,652 -0.112,653 -0.034,654 4.705,655 5.721,656 0.643,657 24.071,658 1.041,659 1.13,660 1.309,661 1.714,662 0.676,663 3.434,664 3.784,665 4.025,666 4.22,667 4.431,668 4.382,669 4.454,670 4.407,671 4.466,672 4.564,673 6.467,674 0.669,675 408.44,676 3.434,677 4.99,678 5.838,679 6.723,680 7.592,681 8.478,682 9.355,683 10.242,684 11.122,685 12.009,686 4.4,689 1,693 1,701 7,706 5,708 12,714 1,716 1,723 1,724 45,726 16,727 2,728 30,730 47,731 18,732 12,733 5,734 7,735 2,737 3,738 3,751 14,752 4,754 4,756 1,758 4,761 2,764 1,765 1,767 17,768 9,769 2,770 10,771 1,773 2,777 1,778 6,789 3,808 1,809 1,810 3,813 1,817 1,819 28,823 1,826 1,827 4,828 1,829 1,832 1,838 1,839 13.3,841 1,842 4,843 1,846 15.417,847 7.876,848 6.083,849 2.479,850 2.488,851 1.348,852 0.956,853 5.987,854 9.642,855 3.714,856 4.317,857 4.808,858 5.278,859 5.782,860 5.909,861 6.18,862 6.223,863 6.451,864 6.833,865 1,866 46,867 10.764,869 5.09,870 0.006,871 8.449,872 18.83,874 15.535,876 2.949,877 82.583,881 176.567,882 110.952,883 19.529,885 148.286,886 14.96,887 5.807,888 105.144,889 324.853,890 34.489,892 31.407,893 72.141,894 153.901,895 21.318,896 14.96,897 176.567,899 176.567,900 124.673,901 163.246,902 5.807,904 191.527,905 137.286,906 11,908 32.925,909 91.748,910 5.807,912 191.527,913 167.815,914 110.952,916 5.807,917 176.567,918 38.81,919 67.852,920 18.011,921 163.246,922 176.567,923 182.775,924 110.952,926 0.592,927 0.346,928 0.177,929 0.099,930 20,931 10,932 0.106,933 5,935 1,936 3.805,937 239.997,939 18,940 128.606,943 1,944 20.271,945 8.269,946 4.522,948 182.775,949 8.346,954 -1.297,956 60.694,957 470.294,958 40,960 -3.789,962 49.184,965 -2.119,967 46.825,968 50.834,969 0.344,970 0.703,971 0.831,972 0.911,973 0.911,974 0.911,975 4.97,976 1.285,977 5.872,978 4.291,979 4.466,980 5.004,981 2.216,982 6.744,983 4.377,984 6.212,985 1.033,986 7.487,987 3.116,988 4.29,989 5.139,991 8.023,992 4.135,993 7.568,994 1,995 9.224,996 2.582,997 6.163,998 7.299,999 2.578,1000 11.095,1001 5.976,1002 8.969,1003 1,1004 11.038,1005 2.423,1006 6.804,1007 8.252,1009 13.24,1010 6.533,1011 10.41,1012 1,1013 12.904,1014 2.406,1015 8.23,1016 9.987,1017 3.101,1018 15.949,1019 7.919,1020 11.88,1021 0.144,1022 14.808,1023 2.136,1024 9.216,1025 11.275,1027 18.395,1028 8.811,1029 13.373,1030 -0.609,1031 16.74,1032 0.342,1033 10.497,1034 12.875,1035 3.715,1036 21.019,1037 10.033,1038 3.515,1039 -0.688,1040 18.693,1041 -1.527,1042 11.627,1043 14.303,1045 23.569,1046 11.068,1047 3.025,1048 13.624,1049 20.663,1050 -1.628,1051 12.866,1052 15.861,1053 4.381,1054 26.177,1055 12.233,1056 2.744,1057 9.938,1058 22.646,1059 4.763,1060 14.058,1061 17.353,1063 28.764,1064 13.327,1065 2.207,1066 8.63,1067 24.639,1068 4.015,1069 15.29,1070 18.899,1071 5.075,1072 31.37,1073 14.474,1074 2.176,1075 6.513,1076 26.641,1077 3.649,1078 16.509,1079 20.421,1081 33.972,1082 15.595,1083 1.942,1084 5.832,1085 28.649,1086 2.902,1087 17.744,1088 21.967,1089 5.783,1090 36.58,1091 16.738,1092 1.686,1093 5.368,1094 30.662,1095 2.721,1096 18.977,1097 23.505,1099 39.187,1100 17.873,1101 8987,1102 17959,1103 19.186,1104 30.415,1105 45.787,1106 48.323,1107 46.882,1108 45.595,1109 45.513,1110 59.277,1111 7.51,1112 134.402,1113 43.482,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 2.873,1121 21.624,1122 5.219,1123 16.484,1124 1.526,1125 1.611,1126 1.563,1127 1.52,1128 1.517,1129 1.976,1130 0.25,1131 4.48,1132 1.449,1133 4.105,1134 4.09,1135 4.742,1136 4.081,1137 8.201,1138 4.002,1139 3.941,1140 3.956,1141 3.926,1142 3.855,1143 7.715,1144 3.856,1145 3.771,1146 3.806,1147 3.748,1148 3.643,1149 7.475,1150 3.621,1151 3.513,1152 3.492,1153 3.515,1154 3.348,1155 7.429,1156 3.316,1157 3.289,1158 3.3,1159 3.254,1160 3.053,1161 6.999,1162 3.083,1163 3.267,1164 3.269,1165 3.229,1166 3.011,1167 6.351,1168 3.054,1169 3.111,1170 3.206,1171 2.866,1172 2.941,1173 4.681,1174 2.91,1175 2.869,1176 2.919,1177 2.797,1178 2.719,1179 4.603,1180 2.724,1181 0.164,1182 0.158,1183 0.256,1184 0.148,1185 0.117,1186 4.934,1187 0.159,1188 4.726,1189 0.048,1190 7.668,1191 0.454,1192 4.437,1193 0.107,1194 3.515,1195 4.763,1196 1.437,1197 13.624,1198 3.219,1199 1.983,1200 1.99,1201 2.01,1202 2.071,1203 1.28,1204 2.096,1205 1.889,1206 1.873,1207 1.954,1208 2.001,1209 1.109,1210 1.995,1211 1.704,1212 1.669,1213 1.889,1214 1.9,1215 1.063,1216 1.902,1217 1.339,1218 1.364,1219 1.513,1220 1.538,1221 0.825,1222 1.548,1223 1.153,1224 1.125,1225 1.322,1226 1.43,1227 0.554,1228 1.429,1229 1.146,1230 1.105,1231 1.245,1232 1.39,1233 0.3,1234 1.377,1235 1.109,1236 1.064,1237 1.158,1238 1.376,1239 0.227,1240 1.353,1241 0.833,1242 0.783,1243 1.059,1244 1.03,1245 0.181,1246 1.042,1247 4.111,1249 5.451,1251 6.991,1253 8.618,1255 10.289,1259 13.273,1262 9.156,1263 1.024,1264 2.379,1265 5.153,1268 1.274,1272 30.116,1273 85.078,1274 173.83,1275 205.482,1276 225.133,1277 225.133,1278 225.133,1279 94.735,1280 7.155,1281 113.01,1282 121.39,1283 18,1284 12.541,1285 4.087,1286 3.459,1287 49.65,1288 109,1289 100,1290 0.223,1291 187.728,1292 339.28,1293 449.817,1294 12014,1295 2.2,1296 20.311,1297 0.725,1298 0.55,1299 19.691,1300 15.408,1301 13.286,1302 0.443,1303 0.325,1304 8.257,1305 11.764,1306 8.037,1307 6.565,1308 13.681,1309 9.75,1310 12.579,1311 0.293,1312 0.184,1313 13.264,1314 7.931,1315 10.07,1316 0.183,1317 0.11,1318 11.055,1319 6.059,1320 7.867,1321 0.117,1322 0.062,1323 8.782,1324 4.185,1325 6.481,1326 0.078,1327 0.034,1328 7.031,1329 2.838,1330 0.349,1331 93.16,1332 0.228,1333 26.589,1334 0.616,1335 146,1336 615.777,1337 208.015,1338 570.879,1339 736.99,1340 522,1341 171,1342 478.56,1343 238.667,1344 510.016,1345 745.97,1346 477,1347 5.18}
{0 CHEMBL247791,1 1.738,2 10.893,3 2.035,4 4.139,5 102.536,6 8.427,7 0.4,8 3.984,9 4.066,10 3.783,11 3.533,12 5.14,13 3.512,14 4.529,15 4.66,16 4.102,17 3.914,18 5.939,19 3.879,20 4.767,21 4.915,22 4.191,23 4.09,24 6.019,25 4.022,26 4.898,27 5.071,28 4.156,29 4.04,30 6.248,31 3.991,32 4.804,33 4.97,34 4.08,35 3.915,36 6.238,37 3.905,38 4.692,39 4.856,40 3.907,41 3.858,42 6.286,43 3.807,44 4.603,45 4.813,46 3.775,47 3.814,48 5.736,49 3.725,50 4.533,51 4.712,52 3.765,53 3.676,54 5.824,55 3.613,56 0.175,57 0.696,58 10.987,59 4.837,60 27.738,61 5.14,62 0.648,63 1.102,64 18.577,65 7.836,66 82.027,67 8.813,68 0.58,69 1.387,70 30.205,71 11.134,72 61.882,73 11.92,74 0.945,75 1.425,76 36.129,77 11.483,78 144.29,79 12.439,80 0.978,81 1.24,82 29.367,83 9.531,84 139.423,85 10.803,86 1.096,87 1.133,88 24.625,89 8.706,90 188.495,91 10.159,92 0.475,93 1.069,94 22.805,95 9.006,96 59.725,97 11.303,98 0.614,99 0.977,100 22.713,101 7.816,102 91.993,103 8.618,104 38,105 43,106 0.294,107 0.637,108 0.782,109 0.851,110 0.851,111 0.851,112 3.375,113 1.006,114 -2.65,115 -2.67,116 -2.6,118 39.6,119 1,124 4,137 7,138 3,139 2,150 2,158 1,161 1,162 9,163 1,165 3,166 2,169 2,171 4,174 10,175 1,178 1,179 9,184 5,185 1,187 6,188 2,192 11,195 1,196 1,197 4,200 2,201 2,203 2,204 8,205 1,209 4,212 6,213 1,216 4,217 4,220 4,222 1,225 7,226 2,231 5,236 2,239 7,240 1,245 8,250 1,253 5,254 1,258 1,259 7,260 3,262 1,264 1,267 2,272 1198,273 18.256,274 18.256,275 18.256,276 18.256,277 18.256,278 16.279,279 22.169,280 10.636,281 18.655,282 14.771,283 14.771,284 14.771,285 14.771,286 14.771,287 11.615,288 26.003,289 5.002,290 15.383,291 3.847,292 1.82,293 0.967,294 0.557,295 0.557,296 0.557,297 4.049,300 1,301 1,302 640,303 4,307 296.187,314 1.63,315 53.15,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 63,327 305,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 1.437,335 13.624,336 3.219,337 4.38,338 3.638,339 6.446,340 4.015,341 3.025,342 4.015,343 1.058,344 9.938,345 2.988,346 4.115,347 3.537,348 6.045,349 3.751,350 2.744,351 3.649,352 0.86,353 8.63,354 2.756,355 3.563,356 2.734,357 5.539,358 3.186,359 2.207,360 2.902,361 0.4,362 6.513,363 2.179,364 3.46,365 2.703,366 4.964,367 3.139,368 2.176,369 2.721,371 5.832,372 2.066,373 3.238,374 2.294,375 4.929,376 2.907,377 1.942,378 2.424,380 5.368,381 1.855,382 3.063,383 2.193,384 4.407,385 2.664,386 1.686,387 2.11,389 4.291,390 1.636,391 2.681,392 1.952,393 3.986,394 2.227,395 1.285,396 1.708,398 3.116,399 1.201,400 2.542,401 1.349,402 3.61,403 2.039,404 1.033,405 1.505,407 2.582,408 1.034,409 2.53,410 1.321,411 3.545,412 2.005,413 1,414 1.475,416 2.423,417 0.994,418 2.236,419 1.256,420 3.454,421 1.952,422 1,423 1.186,425 2.406,426 0.946,427 2,428 1.095,429 3.247,430 1.928,431 1,432 1,434 2.136,435 0.918,436 1.485,437 0.728,438 2.846,439 1.141,440 0.144,441 0.18,443 0.342,444 0.142,445 1,446 0.424,447 2.757,448 0.373,449 -0.609,450 -0.735,452 -1.527,453 -0.591,454 0.82,455 0.09,456 2.474,457 0.325,458 -0.688,459 -0.764,461 -1.628,462 -0.668,463 13.133,464 0.469,465 0.886,466 0.032,467 36.25,468 1.295,469 18.5,470 0.661,471 17.75,472 0.634,473 21.962,474 0.784,475 31.267,476 0.651,477 31.503,478 1.125,479 7.297,480 0.261,481 5.989,482 0.214,483 0.165,484 0.063,485 0.297,490 0.659,491 1.355,492 0.796,493 1.258,494 0.67,495 0.958,496 0.7,497 0.999,498 0.795,499 0.861,500 0.505,501 0.873,502 0.919,503 1.259,504 1.314,505 1.331,506 0.782,507 1.101,508 1.236,509 1.063,510 1.232,511 1.135,512 1.416,513 1.011,514 1.25,515 1.011,516 0.902,517 0.935,518 1.454,519 0.925,520 0.926,521 0.778,522 0.965,523 0.83,524 1.002,525 1.017,526 0.712,527 1.02,528 0.727,529 0.942,530 0.65,531 0.999,532 1.28,533 1.058,534 1.083,535 0.999,536 1.288,537 1.019,538 7,539 0.153,540 4.222,541 2.5,542 1.782,543 1.215,544 0.567,545 0.424,546 0.349,547 0.297,548 9120,549 30950,550 1.984,551 41.7,552 3,553 15,556 2,561 1.712,562 1.816,563 3.419,564 0.318,565 1,566 1,570 83.419,571 1.738,572 3.765,573 4.618,574 5.028,575 5.028,576 5.028,577 2.867,578 4.138,579 4.782,580 3.566,581 1347.85,582 8.321,583 17681.4,585 1,587 1,588 268.078,589 1.678,590 4.706,591 0.233,592 0.007,593 0.098,594 0.054,595 0.041,596 0.03,597 0.016,598 0.014,599 0.012,600 0.012,601 0.518,602 0.33,603 1,604 0.82,605 140.14,606 -0.004,607 -0.147,608 0.18,609 -0.073,610 -0.112,611 0.024,612 0.152,613 0.12,614 0.099,615 0.146,616 0.195,617 0.07,618 -0.099,619 -0.148,620 -0.15,621 -0.147,622 -0.009,623 -0.099,624 -0.165,625 -0.052,626 -0.125,627 -0.084,628 -0.174,629 -0.045,630 -0.089,631 -0.066,632 0.006,633 -0.026,634 -0.152,635 0.011,636 0.157,637 0.202,638 -0.121,639 0.052,640 0.173,641 -0.088,642 0.006,643 -0.085,644 0.121,645 -0.01,646 0.013,647 0.037,648 -0.227,649 -0.078,650 -0.071,651 -0.014,652 -0.187,653 -0.055,654 4.656,655 5.762,656 0.643,657 24.071,658 1.025,659 1.123,660 1.425,661 2.03,662 0.672,663 3.434,664 3.784,665 4.025,666 4.22,667 4.431,668 4.382,669 4.454,670 4.407,671 4.466,672 4.564,673 6.467,674 0.651,675 404.48,676 3.434,677 4.99,678 5.838,679 6.723,680 7.592,681 8.478,682 9.355,683 10.242,684 11.122,685 12.009,686 4.2,689 1,693 1,701 7,706 5,708 12,714 1,716 1,724 48,726 16,727 2,728 30,730 50,731 19,732 12,733 5,734 7,735 2,737 3,738 3,743 1,751 14,752 5,754 4,756 1,758 4,761 2,764 1,767 20,768 8,769 2,770 9,771 1,773 2,777 1,778 6,789 3,808 1,809 1,810 3,813 1,815 1,819 28,823 1,826 1,827 4,828 1,829 1,832 1,839 12.5,841 1,842 4,843 1,846 15.417,847 8.733,848 6.083,849 2.693,850 2.488,851 1.348,852 0.953,853 6.035,854 9.642,855 3.714,856 4.317,857 4.808,858 5.278,859 5.782,860 5.909,861 6.18,862 6.223,863 6.451,864 6.833,865 1,866 46,867 10.715,869 4.959,870 0.006,871 8.235,872 19.184,874 15.809,876 2.735,877 76.583,881 211.88,882 113.841,883 19.529,885 148.286,887 5.807,888 108.034,889 360.166,890 19.529,891 8.825,892 31.407,893 72.141,894 153.901,895 15.383,897 211.88,899 211.88,900 127.563,901 148.286,902 5.807,904 211.88,905 137.286,906 11,908 41.751,909 85.812,910 5.807,912 211.88,913 167.815,914 113.841,916 5.807,917 211.88,918 32.875,919 76.677,920 18.011,921 148.286,922 211.88,923 167.815,924 113.841,926 0.592,927 0.346,928 0.177,929 0.099,930 20,931 10,932 0.1,933 5,935 1,936 3.805,937 239.997,939 18,940 128.606,943 1,944 20.335,945 8.31,946 4.548,948 167.815,949 10.312,954 0.972,956 60.694,957 493.536,958 40,960 -3.739,962 49.528,965 -1.756,967 49.196,968 53.91,969 0.311,970 0.674,971 0.827,972 0.9,973 0.9,974 0.9,975 4.97,976 1.285,977 5.872,978 4.291,979 4.466,980 5.004,981 2.216,982 6.744,983 4.392,984 6.212,985 1.033,986 7.487,987 3.116,988 4.29,989 5.139,991 8.023,992 4.164,993 7.568,994 1,995 9.224,996 2.582,997 6.163,998 7.299,999 2.578,1000 11.095,1001 5.998,1002 8.969,1003 1,1004 11.038,1005 2.423,1006 6.804,1007 8.252,1009 13.24,1010 6.56,1011 10.41,1012 1,1013 12.904,1014 2.406,1015 8.23,1016 9.987,1017 3.101,1018 15.949,1019 7.942,1020 11.88,1021 0.144,1022 14.808,1023 2.136,1024 9.216,1025 11.275,1027 18.395,1028 8.835,1029 13.373,1030 -0.609,1031 16.74,1032 0.342,1033 10.497,1034 12.875,1035 3.715,1036 21.019,1037 10.055,1038 3.515,1039 -0.688,1040 18.693,1041 -1.527,1042 11.627,1043 14.303,1045 23.569,1046 11.089,1047 3.025,1048 13.624,1049 20.663,1050 -1.628,1051 12.866,1052 15.861,1053 4.381,1054 26.177,1055 12.252,1056 2.744,1057 9.938,1058 22.646,1059 4.763,1060 14.058,1061 17.353,1063 28.764,1064 13.347,1065 2.207,1066 8.63,1067 24.639,1068 4.015,1069 15.29,1070 18.899,1071 5.075,1072 31.37,1073 14.492,1074 2.176,1075 6.513,1076 26.641,1077 3.649,1078 16.509,1079 20.421,1081 33.972,1082 15.614,1083 1.942,1084 5.832,1085 28.649,1086 2.902,1087 17.744,1088 21.967,1089 5.783,1090 36.58,1091 16.756,1092 1.686,1093 5.368,1094 30.662,1095 2.721,1096 18.977,1097 23.505,1099 39.187,1100 17.89,1101 8987,1102 16705,1103 19.186,1104 32.239,1105 45.787,1106 48.128,1107 46.882,1108 45.562,1109 45.513,1110 59.277,1111 7.51,1112 134.402,1113 43.867,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 2.873,1121 21.624,1122 5.219,1123 16.484,1124 1.526,1125 1.604,1126 1.563,1127 1.519,1128 1.517,1129 1.976,1130 0.25,1131 4.48,1132 1.462,1133 4.105,1134 4.091,1135 4.742,1136 4.082,1137 7.715,1138 4.004,1139 3.952,1140 3.969,1141 3.926,1142 3.883,1143 7.475,1144 3.877,1145 3.772,1146 3.807,1147 3.748,1148 3.645,1149 7.429,1150 3.623,1151 3.516,1152 3.501,1153 3.515,1154 3.35,1155 6.999,1156 3.32,1157 3.35,1158 3.377,1159 3.275,1160 3.157,1161 6.351,1162 3.166,1163 3.271,1164 3.275,1165 3.232,1166 3.016,1167 4.72,1168 3.054,1169 3.111,1170 3.206,1171 2.879,1172 2.941,1173 4.649,1174 2.91,1175 3.034,1176 3.091,1177 2.866,1178 2.867,1179 4.603,1180 2.861,1181 0.164,1182 0.158,1183 0.256,1184 0.148,1185 0.117,1186 4.934,1187 0.159,1188 4.726,1189 0.048,1190 7.668,1191 0.454,1192 4.437,1193 0.107,1194 3.515,1195 4.763,1196 1.437,1197 13.624,1198 3.219,1199 1.985,1200 1.991,1201 2.038,1202 2.073,1203 1.28,1204 2.097,1205 1.92,1206 1.902,1207 1.985,1208 2.014,1209 1.155,1210 2.021,1211 1.705,1212 1.671,1213 1.89,1214 1.903,1215 1.095,1216 1.906,1217 1.358,1218 1.37,1219 1.556,1220 1.571,1221 0.825,1222 1.577,1223 1.266,1224 1.237,1225 1.513,1226 1.49,1227 0.634,1228 1.498,1229 1.153,1230 1.105,1231 1.28,1232 1.405,1233 0.545,1234 1.429,1235 1.115,1236 1.064,1237 1.238,1238 1.376,1239 0.273,1240 1.361,1241 1.011,1242 0.961,1243 1.158,1244 1.247,1245 0.227,1246 1.256,1247 4.111,1249 5.451,1251 6.991,1253 8.618,1255 10.289,1257 1.748,1262 9.322,1263 1.157,1264 2.545,1265 5.18,1268 1.315,1272 31.26,1273 83.419,1274 180.721,1275 221.672,1276 241.323,1277 241.323,1278 241.323,1279 84.256,1280 7.155,1281 113.01,1282 121.39,1283 18,1284 12.541,1285 4.087,1286 3.459,1287 49.65,1288 109,1289 100,1290 0.223,1291 196.123,1292 350.51,1293 470.299,1294 12014,1296 20.311,1297 0.725,1298 0.573,1299 20.561,1300 16.03,1301 13.286,1302 0.443,1303 0.335,1304 8.593,1305 11.882,1306 8.281,1307 6.823,1308 14.074,1309 10.061,1310 12.579,1311 0.293,1312 0.193,1313 13.898,1314 8.291,1315 10.07,1316 0.183,1317 0.114,1318 11.398,1319 6.252,1320 7.867,1321 0.117,1322 0.065,1323 8.972,1324 4.327,1325 6.481,1326 0.078,1327 0.036,1328 7.485,1329 2.977,1330 0.349,1331 92.294,1332 0.228,1333 26.589,1334 0.616,1335 146,1336 529.666,1337 204.185,1338 517.643,1339 678.19,1340 474,1341 171,1342 445.227,1343 235.757,1344 485.223,1345 708.83,1346 453,1347 5.125}
{0 CHEMBL247794,1 1.891,2 10.893,3 2.213,4 4.896,5 102.3,6 9.442,7 0.4,8 3.936,9 4.004,10 3.821,11 3.506,12 5.125,13 3.491,14 4.474,15 4.584,16 4.16,17 3.892,18 5.941,19 3.862,20 4.727,21 4.866,22 4.246,23 4.062,24 6.019,25 3.998,26 4.819,27 4.969,28 4.21,29 3.993,30 6.233,31 3.957,32 4.743,33 4.89,34 4.191,35 3.867,36 6.276,37 3.873,38 4.596,39 4.751,40 3.933,41 3.829,42 6.211,43 3.771,44 4.525,45 4.71,46 3.868,47 3.776,48 5.759,49 3.699,50 4.466,51 4.64,52 3.839,53 3.645,54 5.771,55 3.581,56 0.221,57 0.647,58 8.183,59 4.447,60 35.263,61 4.226,62 0.704,63 1.023,64 14.257,65 7.24,66 87.335,67 7.332,68 0.759,69 1.288,70 30.231,71 10.913,72 87.956,73 10.65,74 1.082,75 1.3,76 32.768,77 10.942,78 165.805,79 10.244,80 1.232,81 1.133,82 27.969,83 9.163,84 174.008,85 9.075,86 1.029,87 1.024,88 22.431,89 8.532,90 174.42,91 9.591,92 0.632,93 0.979,94 19.977,95 8.413,96 79.427,97 9.779,98 0.679,99 0.909,100 20.333,101 7.674,102 93.075,103 7.903,104 38,105 43,106 0.324,107 0.662,108 0.783,109 0.858,110 0.858,111 0.858,112 3.375,113 1.013,114 -2.65,115 -2.67,116 -2.6,118 40,124 4,137 7,138 2,139 3,150 2,158 1,161 1,162 6,163 1,165 3,166 2,169 2,171 4,174 8,175 1,178 1,179 9,184 5,185 1,187 6,188 1,192 10,195 1,196 1,197 2,200 2,201 2,203 2,204 8,205 1,209 4,212 6,213 1,216 4,217 3,220 4,222 1,225 6,226 2,231 5,236 2,239 5,240 1,245 8,250 1,253 4,254 1,258 1,259 7,260 3,262 1,264 1,267 1,272 1198,273 18.256,274 18.256,275 18.256,276 18.256,277 18.256,278 16.279,279 21.345,280 10.636,281 18.791,282 14.771,283 14.771,284 14.771,285 14.771,286 14.771,287 11.615,288 25.173,289 5.002,290 15.65,291 3.601,292 1.629,293 0.926,294 0.489,295 0.489,296 0.489,297 4.049,298 1,300 1,301 1,302 640,303 4,307 296.187,314 1.63,315 56.065,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 63.333,327 305,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 1.437,335 13.624,336 3.219,337 4.38,338 3.64,339 6.446,340 4.008,341 3.025,342 4.015,343 1.058,344 9.938,345 2.965,346 4.115,347 3.538,348 6.045,349 3.748,350 2.744,351 3.649,352 0.86,353 8.63,354 2.748,355 3.563,356 2.934,357 5.539,358 3.14,359 2.207,360 2.902,361 0.4,362 6.513,363 2.066,364 3.46,365 2.707,366 4.964,367 3.083,368 2.176,369 2.721,371 5.832,372 1.937,373 3.238,374 2.47,375 4.929,376 2.892,377 1.942,378 2.424,380 5.368,381 1.771,382 3.063,383 2.199,384 4.407,385 2.657,386 1.686,387 2.11,389 4.291,390 1.607,391 2.681,392 1.952,393 3.986,394 2.225,395 1.285,396 1.708,398 3.116,399 1.197,400 2.542,401 1.354,402 3.61,403 2.036,404 1.033,405 1.505,407 2.582,408 1.028,409 2.53,410 1.321,411 3.545,412 2.005,413 1,414 1.475,416 2.423,417 0.994,418 2.236,419 1.256,420 3.454,421 1.952,422 1,423 1.186,425 2.406,426 0.946,427 2,428 1.095,429 3.247,430 1.928,431 1,432 1,434 2.136,435 0.918,436 1.485,437 0.826,438 2.846,439 1.071,440 0.144,441 0.18,443 0.342,444 0.118,445 1,446 0.433,447 2.757,448 0.339,449 -0.609,450 -0.735,452 -1.527,453 -0.449,454 0.82,455 0.178,456 2.474,457 0.246,458 -0.688,459 -0.764,461 -1.628,462 -0.631,463 13.348,464 0.477,465 0.886,466 0.032,467 36.5,468 1.304,469 18.5,470 0.661,471 18,472 0.643,473 21.858,474 0.781,475 31.052,476 0.69,477 31.606,478 1.129,479 7.329,480 0.262,481 5.957,482 0.213,483 0.178,484 0.062,485 0.292,490 0.667,491 1.347,492 0.681,493 1.166,494 0.673,495 0.885,496 0.723,497 1.03,498 0.728,499 0.82,500 0.52,501 0.863,502 0.961,503 1.215,504 1.253,505 1.272,506 0.802,507 1.058,508 1.285,509 1.084,510 1.146,511 1.118,512 1.481,513 1.015,514 1.154,515 0.938,516 0.787,517 0.903,518 1.428,519 0.891,520 0.677,521 0.818,522 0.884,523 0.892,524 0.744,525 1.052,526 0.691,527 1.054,528 0.663,529 0.946,530 0.645,531 1.038,532 1.124,533 1.093,534 0.899,535 0.96,536 1.097,537 0.99,538 7,539 0.153,540 4.222,541 2.5,542 1.782,543 1.215,544 0.567,545 0.424,546 0.349,547 0.297,548 9120,549 35810,550 1.984,551 37.8,553 15,556 2,561 1.712,562 1.816,563 3.419,564 0.353,565 1,566 1,570 85.078,571 1.891,572 3.863,573 4.566,574 5.003,575 5.003,576 5.003,577 2.867,578 4.138,579 4.782,580 3.566,581 1347.85,582 8.321,583 17681.4,585 1,587 1,588 247.133,589 1.678,590 4.706,591 0.233,592 0.007,593 0.098,594 0.054,595 0.041,596 0.03,597 0.016,598 0.014,599 0.012,600 0.012,601 0.518,602 0.33,603 1,604 0.82,605 140.14,606 -0.024,607 -0.153,608 0.117,609 -0.076,610 -0.11,611 0.024,612 0.105,613 0.092,614 0.045,615 0.133,616 0.181,617 0.03,618 -0.137,619 -0.121,620 -0.169,621 -0.126,622 -0.018,623 -0.066,624 -0.23,625 -0.06,626 -0.157,627 -0.08,628 -0.226,629 -0.062,630 -0.016,631 0.005,632 0.068,633 -0.004,634 -0.13,635 0.042,636 0.24,637 0.148,638 -0.074,640 0.253,641 -0.086,642 0.048,643 -0.113,644 0.124,645 -0.036,646 0.037,647 -0.004,648 -0.18,649 -0.111,650 0.024,651 0.017,652 -0.134,653 0.002,654 4.673,655 5.748,656 0.643,657 24.071,658 1.036,659 1.121,660 1.425,661 2.03,662 0.696,663 3.434,664 3.784,665 4.025,666 4.22,667 4.431,668 4.382,669 4.454,670 4.407,671 4.466,672 4.564,673 6.467,674 0.679,675 424.89,676 3.434,677 4.99,678 5.838,679 6.723,680 7.592,681 8.478,682 9.355,683 10.242,684 11.122,685 12.009,686 4.4,689 1,693 1,701 7,706 5,708 12,714 1,716 1,723 1,724 45,726 16,727 2,728 30,730 47,731 18,732 12,733 5,734 7,735 2,737 3,738 3,739 1,751 14,752 4,754 4,756 1,758 4,761 2,764 1,767 17,768 8,769 2,770 10,771 2,773 2,777 1,778 6,789 3,808 1,809 1,810 3,813 1,816 1,819 28,823 1,826 1,827 4,828 1,829 1,832 1,838 1,839 13.3,841 1,842 4,843 1,846 15.417,847 7.876,848 6.083,849 2.479,850 2.488,851 1.348,852 0.956,853 6.252,854 9.642,855 3.714,856 4.317,857 4.808,858 5.278,859 5.782,860 5.909,861 6.18,862 6.223,863 6.451,864 6.833,865 1,866 46,867 10.704,869 4.992,870 0.006,871 8.311,872 18.97,874 15.643,876 2.811,877 78.694,881 176.567,882 105.331,883 19.529,884 39.149,885 148.286,887 5.807,888 99.524,889 364.001,890 19.529,892 31.407,893 72.141,894 153.901,895 15.698,897 176.567,898 39.149,899 176.567,900 119.053,901 148.286,902 44.956,904 176.567,905 137.286,906 11,908 32.925,909 86.127,910 44.956,912 176.567,913 167.815,914 144.48,916 5.807,917 176.567,918 33.19,919 67.852,920 18.011,921 187.435,922 176.567,923 167.815,924 144.48,926 0.592,927 0.346,928 0.177,929 0.099,930 20,931 10,932 0.106,933 5,935 1,936 3.805,937 239.997,939 18,940 128.606,943 1,944 20.613,945 8.492,946 4.667,948 167.815,949 9.62,954 0.174,956 60.694,957 488.862,958 40,960 -3.756,962 49.407,965 -1.884,967 46.636,968 50.439,969 0.344,970 0.703,971 0.831,972 0.911,973 0.911,974 0.911,975 4.97,976 1.285,977 5.872,978 4.291,979 4.466,980 5.004,981 2.216,982 6.744,983 4.362,984 6.212,985 1.033,986 7.487,987 3.116,988 4.29,989 5.139,991 8.023,992 4.106,993 7.568,994 1,995 9.224,996 2.582,997 6.163,998 7.299,999 2.578,1000 11.095,1001 5.957,1002 8.969,1003 1,1004 11.038,1005 2.423,1006 6.804,1007 8.252,1009 13.24,1010 6.51,1011 10.41,1012 1,1013 12.904,1014 2.406,1015 8.23,1016 9.987,1017 3.101,1018 15.949,1019 7.901,1020 11.88,1021 0.144,1022 14.808,1023 2.136,1024 9.216,1025 11.275,1027 18.395,1028 8.793,1029 13.373,1030 -0.609,1031 16.74,1032 0.342,1033 10.497,1034 12.875,1035 3.715,1036 21.019,1037 10.018,1038 3.515,1039 -0.688,1040 18.693,1041 -1.527,1042 11.627,1043 14.303,1045 23.569,1046 11.053,1047 3.025,1048 13.624,1049 20.663,1050 -1.628,1051 12.866,1052 15.861,1053 4.381,1054 26.177,1055 12.219,1056 2.744,1057 9.938,1058 22.646,1059 4.763,1060 14.058,1061 17.353,1063 28.764,1064 13.314,1065 2.207,1066 8.63,1067 24.639,1068 4.015,1069 15.29,1070 18.899,1071 5.075,1072 31.37,1073 14.461,1074 2.176,1075 6.513,1076 26.641,1077 3.649,1078 16.509,1079 20.421,1081 33.972,1082 15.583,1083 1.942,1084 5.832,1085 28.649,1086 2.902,1087 17.744,1088 21.967,1089 5.783,1090 36.58,1091 16.726,1092 1.686,1093 5.368,1094 30.662,1095 2.721,1096 18.977,1097 23.505,1099 39.187,1100 17.86,1101 8987,1102 17959,1103 19.186,1104 31.335,1105 45.787,1106 48.346,1107 46.882,1108 45.667,1109 45.513,1110 59.277,1111 7.51,1112 134.402,1113 43.029,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 2.873,1121 21.624,1122 5.219,1123 16.484,1124 1.526,1125 1.612,1126 1.563,1127 1.522,1128 1.517,1129 1.976,1130 0.25,1131 4.48,1132 1.434,1133 4.104,1134 4.089,1135 4.742,1136 4.081,1137 7.715,1138 4.003,1139 3.937,1140 3.949,1141 4.025,1142 3.87,1143 7.475,1144 3.864,1145 3.77,1146 3.805,1147 3.769,1148 3.644,1149 7.429,1150 3.622,1151 3.513,1152 3.491,1153 3.523,1154 3.349,1155 6.999,1156 3.317,1157 3.284,1158 3.291,1159 3.472,1160 3.077,1161 6.351,1162 3.095,1163 3.265,1164 3.266,1165 3.233,1166 3.014,1167 4.921,1168 3.054,1169 3.111,1170 3.206,1171 3.017,1172 2.941,1173 4.668,1174 2.91,1175 2.857,1176 2.9,1177 2.866,1178 2.76,1179 4.603,1180 2.745,1181 0.164,1182 0.158,1183 0.256,1184 0.148,1185 0.117,1186 4.934,1187 0.159,1188 4.726,1189 0.048,1190 7.668,1191 0.454,1192 4.437,1193 0.107,1194 3.515,1195 4.763,1196 1.437,1197 13.624,1198 3.219,1199 1.983,1200 1.99,1201 2.008,1202 2.07,1203 1.28,1204 2.096,1205 1.892,1206 1.879,1207 1.946,1208 1.989,1209 1.112,1210 1.988,1211 1.704,1212 1.669,1213 1.889,1214 1.898,1215 1.072,1216 1.901,1217 1.34,1218 1.364,1219 1.513,1220 1.534,1221 0.825,1222 1.547,1223 1.153,1224 1.132,1225 1.317,1226 1.421,1227 0.555,1228 1.429,1229 1.148,1230 1.105,1231 1.244,1232 1.381,1233 0.305,1234 1.373,1235 1.11,1236 1.064,1237 1.158,1238 1.376,1239 0.227,1240 1.351,1241 0.839,1242 0.797,1243 1.052,1244 1.002,1245 0.181,1246 1.032,1247 4.111,1249 5.451,1251 6.991,1253 8.618,1255 10.289,1258 5.803,1262 9.264,1263 1.11,1264 2.487,1265 5.17,1268 1.301,1272 30.561,1273 85.078,1274 173.83,1275 205.482,1276 225.133,1277 225.133,1278 225.133,1279 86.682,1280 7.155,1281 113.01,1282 121.39,1283 18,1284 12.541,1285 4.087,1286 3.459,1287 49.65,1288 109,1289 100,1290 0.223,1291 194.863,1292 348.42,1293 467.226,1294 12014,1295 2.2,1296 20.311,1297 0.725,1298 0.577,1299 21.061,1300 16.164,1301 13.286,1302 0.443,1303 0.338,1304 8.312,1305 11.573,1306 8.037,1307 6.565,1308 14.363,1309 10.128,1310 12.579,1311 0.293,1312 0.195,1313 14.306,1314 8.368,1315 10.07,1316 0.183,1317 0.114,1318 11.66,1319 6.294,1320 7.867,1321 0.117,1322 0.065,1323 9.192,1324 4.357,1325 6.481,1326 0.078,1327 0.036,1328 7.824,1329 3.007,1330 0.349,1331 95.469,1332 0.228,1333 26.589,1334 0.616,1335 146,1336 555.869,1337 219.704,1338 570.879,1339 736.99,1340 522,1341 171,1342 462.089,1343 245.515,1344 510.016,1345 745.97,1346 477,1347 5.187}
{0 CHEMBL247795,1 1.891,2 10.893,3 2.297,4 5.275,5 105.118,6 10.43,7 0.4,8 3.934,9 4.002,10 3.899,11 3.521,12 5.112,13 3.497,14 4.472,15 4.582,16 4.27,17 3.912,18 5.926,19 3.87,20 4.723,21 4.862,22 4.355,23 4.086,24 6,25 4.007,26 4.817,27 4.966,28 4.318,29 4.014,30 6.222,31 3.966,32 4.739,33 4.887,34 4.386,35 3.883,36 6.235,37 3.881,38 4.593,39 4.748,40 4.014,41 3.848,42 6.201,43 3.778,44 4.523,45 4.708,46 4.034,47 3.792,48 5.721,49 3.707,50 4.463,51 4.638,52 3.987,53 3.671,54 5.754,55 3.592,56 0.209,57 0.644,58 6.091,59 4.509,60 32.811,61 4.205,62 0.684,63 1.028,64 11.738,65 7.436,66 84.481,67 7.351,68 0.708,69 1.307,70 34.757,71 11.546,72 78.552,73 10.849,74 1.036,75 1.323,76 34.356,77 11.532,78 156.413,79 10.361,80 1.14,81 1.155,82 30.167,83 9.608,84 156.089,85 9.027,86 0.993,87 1.04,88 26.79,89 9.016,90 168.14,91 9.757,92 0.575,93 0.99,94 20.499,95 8.71,96 67.863,97 9.809,98 0.647,99 0.926,100 19.546,101 8.04,102 88.199,103 7.982,104 38,105 43,106 0.324,107 0.662,108 0.783,109 0.858,110 0.858,111 0.858,112 3.375,113 1.054,114 -2.77,115 -2.78,116 -2.7,117 1,118 40,124 4,137 7,138 2,139 3,150 2,158 1,161 1,162 6,163 1,165 3,166 2,169 2,171 4,174 8,175 1,178 1,179 9,184 5,185 1,187 6,188 1,192 10,195 1,196 1,197 2,200 2,201 2,203 2,204 8,205 1,209 4,212 6,213 1,216 4,217 3,220 4,222 1,225 6,226 2,231 5,236 2,239 5,240 1,245 8,250 1,253 4,254 1,258 1,259 7,260 3,262 1,264 1,267 1,272 1198,273 18.256,274 18.256,275 18.256,276 18.256,277 18.256,278 16.279,279 21.387,280 10.636,281 18.819,282 14.771,283 14.771,284 14.771,285 14.771,286 14.771,287 11.615,288 25.208,289 5.002,290 15.705,291 3.601,292 1.629,293 0.926,294 0.489,295 0.489,296 0.489,297 4.049,300 1,301 1,302 640,303 4,307 296.187,314 1.63,315 53.851,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 62.75,327 305,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 1.437,335 13.624,336 3.219,337 4.38,338 3.64,339 6.446,340 4.007,341 3.025,342 4.015,343 1.058,344 9.938,345 2.963,346 4.115,347 3.538,348 6.045,349 3.747,350 2.744,351 3.649,352 0.86,353 8.63,354 2.747,355 3.563,356 2.904,357 5.539,358 3.14,359 2.207,360 2.902,361 0.4,362 6.513,363 2.066,364 3.46,365 2.707,366 4.964,367 3.07,368 2.176,369 2.721,371 5.832,372 1.92,373 3.238,374 2.458,375 4.929,376 2.889,377 1.942,378 2.424,380 5.368,381 1.738,382 3.063,383 2.199,384 4.407,385 2.656,386 1.686,387 2.11,389 4.291,390 1.587,391 2.681,392 1.952,393 3.986,394 2.225,395 1.285,396 1.708,398 3.116,399 1.196,400 2.542,401 1.353,402 3.61,403 2.036,404 1.033,405 1.505,407 2.582,408 1.025,409 2.53,410 1.321,411 3.545,412 2.005,413 1,414 1.475,416 2.423,417 0.994,418 2.236,419 1.256,420 3.454,421 1.952,422 1,423 1.186,425 2.406,426 0.946,427 2,428 1.095,429 3.247,430 1.928,431 1,432 1,434 2.136,435 0.918,436 1.485,437 0.816,438 2.846,439 1.063,440 0.144,441 0.18,443 0.342,444 0.109,445 1,446 0.432,447 2.757,448 0.338,449 -0.609,450 -0.735,452 -1.527,453 -0.395,454 0.82,455 0.162,456 2.474,457 0.241,458 -0.688,459 -0.764,461 -1.628,462 -0.629,463 13.967,464 0.499,465 0.886,466 0.032,467 36.25,468 1.295,469 18.5,470 0.661,471 17.75,472 0.634,473 23.432,474 0.837,475 30.433,476 0.676,477 30.033,478 1.073,479 7.058,480 0.252,481 6.228,482 0.222,483 0.215,484 0.06,485 0.279,490 0.672,491 1.319,492 0.541,493 1.046,494 0.674,495 0.858,496 0.727,497 1.001,498 0.607,499 0.755,500 0.518,501 0.839,502 0.953,503 1.208,504 1.04,505 1.214,506 0.789,507 1.053,508 1.31,509 1.069,510 0.82,511 1.036,512 1.496,513 0.996,514 1.217,515 0.964,516 0.652,517 0.887,518 1.486,519 0.88,520 0.661,521 0.822,522 0.831,523 0.882,524 0.733,525 1.048,526 0.716,527 1.047,528 0.536,529 0.882,530 0.671,531 1.012,532 1.147,533 1.064,534 0.671,535 0.875,536 1.11,537 0.961,538 7,539 0.153,540 4.222,541 2.5,542 1.782,543 1.215,544 0.567,545 0.424,546 0.349,547 0.297,548 9120,549 35810,550 1.984,551 37.8,553 15,556 2,561 1.712,562 1.816,563 3.419,564 0.353,566 1,570 85.078,571 1.891,572 3.863,573 4.566,574 5.003,575 5.003,576 5.003,577 2.867,578 4.138,579 4.782,580 3.566,581 1347.85,582 8.321,583 17681.4,588 247.133,589 1.678,590 4.706,591 0.233,592 0.007,593 0.098,594 0.054,595 0.041,596 0.03,597 0.016,598 0.014,599 0.012,600 0.012,601 0.518,602 0.33,603 0.88,604 0.82,605 140.14,606 -0.021,607 -0.149,608 0.035,609 -0.067,610 -0.112,611 0.022,612 0.116,613 0.109,614 0.021,615 0.132,616 0.185,617 0.036,618 -0.13,619 -0.12,620 -0.114,621 -0.119,622 -0.01,623 -0.07,624 -0.23,625 -0.046,626 -0.076,627 -0.059,628 -0.221,629 -0.056,630 -0.054,631 -0.022,632 0.075,633 -0.02,634 -0.168,635 0.044,636 0.264,637 0.139,638 -0.072,639 -0.015,640 0.273,641 -0.093,642 0.027,643 -0.113,644 0.093,645 -0.028,646 0.011,647 0.004,648 -0.185,649 -0.083,650 0.033,651 0.047,652 -0.136,653 0.016,654 4.662,655 5.757,656 0.643,657 24.071,658 1.034,659 1.119,660 1.539,661 2.368,662 0.707,663 3.434,664 3.784,665 4.025,666 4.22,667 4.431,668 4.382,669 4.454,670 4.407,671 4.466,672 4.564,673 6.467,674 0.684,675 469.34,676 3.434,677 4.99,678 5.838,679 6.723,680 7.592,681 8.478,682 9.355,683 10.242,684 11.122,685 12.009,686 4.4,689 1,693 1,701 7,706 5,708 12,714 1,716 1,723 1,724 45,726 16,727 2,728 30,729 1,730 47,731 18,732 12,733 5,734 7,735 2,737 3,738 3,751 14,752 4,754 4,756 1,758 4,761 2,764 1,767 17,768 8,769 2,770 10,771 2,773 2,777 1,778 6,789 3,808 1,809 1,810 3,813 1,814 1,819 28,823 1,826 1,827 4,828 1,829 1,832 1,838 1,839 13.3,841 1,842 4,843 1,846 15.417,847 7.876,848 6.083,849 2.479,850 2.488,851 1.348,852 0.961,853 6.401,854 9.642,855 3.714,856 4.317,857 4.808,858 5.278,859 5.782,860 5.909,861 6.18,862 6.223,863 6.451,864 6.833,865 1,866 46,867 10.705,869 4.968,870 0.006,871 8.262,872 19.08,874 15.728,876 2.762,877 77.333,881 176.567,882 104.886,883 65.483,885 148.286,887 5.807,888 145.032,889 324.853,890 19.529,892 31.407,893 72.141,894 153.901,895 15.252,897 176.567,898 45.954,899 176.567,900 118.607,901 148.286,902 5.807,903 45.954,904 176.567,905 137.286,906 11,908 32.925,909 85.682,910 5.807,911 45.954,912 176.567,913 167.815,914 150.84,916 5.807,917 176.567,918 32.744,919 67.852,920 63.965,921 148.286,922 176.567,923 167.815,924 150.84,926 0.592,927 0.346,928 0.177,929 0.099,930 20,931 10,932 0.106,933 5,935 1,936 3.805,937 239.997,939 18,940 128.606,943 1,944 20.803,945 8.616,946 4.749,948 167.815,949 10.066,954 0.688,956 60.694,957 495.222,958 40,960 -3.745,962 49.485,965 -1.802,967 46.542,968 50.336,969 0.344,970 0.703,971 0.831,972 0.911,973 0.911,974 0.911,975 4.97,976 1.285,977 5.872,978 4.291,979 4.466,980 5.004,981 2.216,982 6.744,983 4.357,984 6.212,985 1.033,986 7.487,987 3.116,988 4.29,989 5.139,991 8.023,992 4.096,993 7.568,994 1,995 9.224,996 2.582,997 6.163,998 7.299,999 2.578,1000 11.095,1001 5.951,1002 8.969,1003 1,1004 11.038,1005 2.423,1006 6.804,1007 8.252,1009 13.24,1010 6.503,1011 10.41,1012 1,1013 12.904,1014 2.406,1015 8.23,1016 9.987,1017 3.101,1018 15.949,1019 7.896,1020 11.88,1021 0.144,1022 14.808,1023 2.136,1024 9.216,1025 11.275,1027 18.395,1028 8.789,1029 13.373,1030 -0.609,1031 16.74,1032 0.342,1033 10.497,1034 12.875,1035 3.715,1036 21.019,1037 10.015,1038 3.515,1039 -0.688,1040 18.693,1041 -1.527,1042 11.627,1043 14.303,1045 23.569,1046 11.05,1047 3.025,1048 13.624,1049 20.663,1050 -1.628,1051 12.866,1052 15.861,1053 4.381,1054 26.177,1055 12.216,1056 2.744,1057 9.938,1058 22.646,1059 4.763,1060 14.058,1061 17.353,1063 28.764,1064 13.311,1065 2.207,1066 8.63,1067 24.639,1068 4.015,1069 15.29,1070 18.899,1071 5.075,1072 31.37,1073 14.458,1074 2.176,1075 6.513,1076 26.641,1077 3.649,1078 16.509,1079 20.421,1081 33.972,1082 15.579,1083 1.942,1084 5.832,1085 28.649,1086 2.902,1087 17.744,1088 21.967,1089 5.783,1090 36.58,1091 16.722,1092 1.686,1093 5.368,1094 30.662,1095 2.721,1096 18.977,1097 23.505,1099 39.187,1100 17.857,1101 8987,1102 17959,1103 19.186,1104 31.83,1105 45.787,1106 48.31,1107 46.882,1108 45.699,1109 45.513,1110 59.277,1111 7.51,1112 134.402,1113 42.854,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 2.873,1121 21.624,1122 5.219,1123 16.484,1124 1.526,1125 1.61,1126 1.563,1127 1.523,1128 1.517,1129 1.976,1130 0.25,1131 4.48,1132 1.428,1133 4.104,1134 4.089,1135 6.88,1136 4.082,1137 7.715,1138 4.003,1139 3.936,1140 3.948,1141 4.742,1142 3.885,1143 7.475,1144 3.868,1145 3.77,1146 3.805,1147 3.865,1148 3.645,1149 7.429,1150 3.622,1151 3.513,1152 3.49,1153 3.724,1154 3.349,1155 6.999,1156 3.317,1157 3.283,1158 3.29,1159 3.514,1160 3.108,1161 6.351,1162 3.104,1163 3.263,1164 3.265,1165 3.234,1166 3.015,1167 4.723,1168 3.054,1169 3.111,1170 3.206,1171 3.144,1172 2.941,1173 4.651,1174 2.91,1175 2.852,1176 2.896,1177 2.866,1178 2.798,1179 4.603,1180 2.757,1181 0.164,1182 0.158,1183 0.256,1184 0.148,1185 0.117,1186 4.934,1187 0.159,1188 4.726,1189 0.048,1190 7.668,1191 0.454,1192 4.437,1193 0.107,1194 3.515,1195 4.763,1196 1.437,1197 13.624,1198 3.219,1199 1.984,1200 1.99,1201 2.006,1202 2.069,1203 1.28,1204 2.096,1205 1.893,1206 1.88,1207 1.938,1208 1.986,1209 1.116,1210 1.986,1211 1.704,1212 1.67,1213 1.889,1214 1.897,1215 1.079,1216 1.901,1217 1.34,1218 1.364,1219 1.513,1220 1.533,1221 0.825,1222 1.547,1223 1.153,1224 1.135,1225 1.312,1226 1.42,1227 0.555,1228 1.429,1229 1.15,1230 1.105,1231 1.244,1232 1.378,1233 0.312,1234 1.371,1235 1.11,1236 1.064,1237 1.158,1238 1.376,1239 0.227,1240 1.349,1241 0.842,1242 0.801,1243 1.048,1244 0.997,1245 0.182,1246 1.029,1247 4.111,1249 5.451,1251 6.991,1253 8.618,1255 10.289,1256 3.189,1262 9.301,1263 1.14,1264 2.525,1265 5.176,1268 1.31,1272 30.758,1273 85.078,1274 173.83,1275 205.482,1276 225.133,1277 225.133,1278 225.133,1279 84.734,1280 7.155,1281 113.01,1282 121.39,1283 18,1284 12.541,1285 4.087,1286 3.459,1287 49.65,1288 109,1289 100,1290 0.223,1291 198.444,1292 352.49,1293 475.963,1294 12014,1295 2.2,1296 20.311,1297 0.725,1298 0.607,1299 21.561,1300 16.994,1301 13.286,1302 0.443,1303 0.351,1304 8.331,1305 11.309,1306 8.037,1307 6.565,1308 14.652,1309 10.543,1310 12.579,1311 0.293,1312 0.206,1313 14.715,1314 8.847,1315 10.07,1316 0.183,1317 0.119,1318 11.922,1319 6.552,1320 7.867,1321 0.117,1322 0.068,1323 9.411,1324 4.546,1325 6.481,1326 0.078,1327 0.038,1328 8.164,1329 3.192,1330 0.349,1331 100.666,1332 0.228,1333 26.589,1334 0.616,1335 146,1336 548.32,1337 270.055,1338 570.879,1339 736.99,1340 522,1341 171,1342 458.96,1343 264.021,1344 510.016,1345 745.97,1346 477,1347 5.319}
{0 CHEMBL249022,1 1.479,2 9.478,3 4.09,4 16.731,5 89.87,6 8.172,7 0.64,8 3.708,9 3.801,10 3.351,11 3.351,12 4.985,13 3.335,14 4.158,15 4.287,16 3.698,17 3.723,18 5.449,19 3.691,20 4.383,21 4.541,22 3.749,23 3.861,24 5.573,25 3.801,26 4.481,27 4.664,28 3.641,29 3.815,30 5.697,31 3.731,32 4.428,33 4.651,34 3.475,35 3.636,36 5.647,37 3.546,38 4.251,39 4.473,40 3.374,41 3.489,42 5.598,43 3.408,44 4.095,45 4.297,46 3.347,47 3.45,48 5.272,49 3.378,50 4.09,51 4.267,52 3.329,53 3.412,54 5.35,55 3.355,56 0.03,57 0.463,58 5.845,59 3.111,60 10.001,61 3.611,62 0.158,63 0.745,64 10.315,65 4.953,66 30.896,67 6.07,68 0.088,69 0.928,70 13.884,71 6.584,72 20.182,73 8.176,74 0.136,75 1.019,76 16.66,77 7.355,78 32.933,79 9.078,80 0.191,81 0.945,82 18.418,83 7.431,84 49.33,85 9.434,86 0.266,87 0.803,88 15.502,89 6.07,90 74.87,91 7.826,92 0.189,93 0.706,94 12.005,95 4.96,96 21.945,97 6.519,98 0.104,99 0.662,100 11.601,101 5.031,102 28.821,103 6.065,104 21,105 35,106 0.261,107 0.604,108 0.762,109 0.886,110 0.896,111 0.896,112 3.188,113 0.852,114 -4.36,115 -4.29,116 -4.05,118 51.4,123 1,132 2,137 8,138 4,146 2,150 2,158 1,161 1,162 13,163 1,166 6,169 1,171 1,174 15,175 2,179 7,184 2,187 13,188 3,192 7,197 3,200 8,201 2,204 5,205 1,209 2,212 8,216 1,217 3,218 1,220 1,225 8,226 1,230 1,231 3,234 1,236 1,239 9,240 1,245 1,250 1,253 9,254 2,258 1,259 3,264 2,267 6,268 2,272 668,273 15.508,274 15.508,275 15.508,276 15.508,277 15.508,278 13.233,279 8.765,280 9.029,281 15.623,282 12.244,283 12.244,284 12.244,285 12.244,286 12.244,287 8.68,288 6.495,289 4.165,290 12.436,291 3.73,292 1.783,293 0.885,294 0.183,295 0.129,296 0.129,297 3.867,299 1,300 1,301 1,302 465,303 3.082,306 48.077,307 139.508,310 94.435,314 1.327,315 21.479,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 218,328 4.615,329 4.059,330 6.682,331 4.129,332 3.166,333 4.57,334 2.035,335 10.731,336 3.054,337 4.389,338 3.601,339 6.431,340 4,341 3,342 4.051,343 1.437,344 9.873,345 2.99,346 3.837,347 3.195,348 5.517,349 3.294,350 2.299,351 3.152,353 6.906,354 2.284,355 3.654,356 2.673,357 5.238,358 3.209,359 2.224,360 3.046,362 6.552,363 2.184,364 3.373,365 2.274,366 4.924,367 2.941,368 1.946,369 2.605,371 5.344,372 1.922,373 3.168,374 2.151,375 4.798,376 2.682,377 1.705,378 2.444,380 5.014,381 1.661,382 2.999,383 1.755,384 3.664,385 2.388,386 1.39,387 2.052,389 3.011,390 1.386,391 2.862,392 1.413,393 3.616,394 2.005,395 1,396 1.476,398 2.426,399 0.994,400 2.533,401 1.318,402 3.501,403 1.88,404 0.902,405 1.372,407 2.123,408 0.88,409 2.426,410 0.958,411 3.202,412 1.657,413 0.68,414 1.042,416 1.52,417 0.662,418 2.106,419 0.685,420 2.837,421 1.372,422 0.408,423 0.749,425 0.693,426 0.392,427 1.205,428 0.433,429 2.503,430 0.771,431 -0.211,432 -0.279,434 -0.47,435 -0.206,436 0.917,437 0.128,438 2.267,439 0.441,440 -0.536,441 -0.753,443 -1.191,444 -0.52,445 0.682,446 -0.286,447 2.151,448 0.189,449 -0.811,450 -1.109,452 -2,453 -0.796,454 0.658,455 -0.577,456 2,457 0.162,458 -0.83,459 -1.234,461 -2.004,462 -0.816,463 10.967,464 0.477,465 0.575,466 0.025,467 34,468 1.478,469 20,470 0.87,471 14,472 0.609,473 14.069,474 0.612,475 22.633,476 0.612,477 24.612,478 1.07,479 6.959,480 0.303,481 4.138,482 0.18,483 0.143,485 0.356,490 0.753,491 1.017,492 0.717,493 0.871,494 0.639,495 0.806,496 0.517,497 0.931,498 0.757,499 0.849,500 0.352,501 0.833,502 0.703,503 1.061,504 0.945,505 1.057,506 0.593,507 1.04,508 0.947,509 1.17,510 1.171,511 1.24,512 0.916,513 1.238,514 1.077,515 1.008,516 0.997,517 1.033,518 0.995,519 1.013,520 0.919,521 0.888,522 0.91,523 0.871,524 0.77,525 0.894,526 0.573,527 0.849,528 0.869,529 0.9,530 0.723,531 0.919,532 1.164,533 1.056,534 1.022,535 1.122,536 1.126,537 1.067,538 4.5,539 0.098,540 2.889,541 2.076,542 1.236,543 0.723,544 0.37,545 0.372,546 0.241,547 0.161,548 5512,549 16853,550 2.041,551 37.8,553 13,556 1,561 1.657,562 1.89,563 3.229,564 -0.369,566 1,570 54.736,571 1.479,572 3.426,573 4.324,574 5.027,575 5.081,576 5.081,577 2.637,578 4.176,579 4.499,580 3.363,581 850.924,582 7.743,583 9709.78,585 1,586 1,587 1,588 192.75,589 1.478,590 4.443,591 0.18,592 0.009,593 0.083,594 0.058,595 0.041,596 0.029,597 0.016,598 0.016,599 0.011,600 0.009,601 0.452,602 0.33,603 1,604 0.942,605 107.513,606 -0.066,607 -0.038,608 0.013,609 0.038,610 -0.064,611 0.035,612 0.166,613 0.072,614 0.041,615 0.073,616 0.18,617 0.049,618 -0.044,619 -0.092,620 -0.09,621 -0.107,622 0.007,623 -0.105,624 -0.088,625 -0.206,626 -0.236,627 -0.277,628 -0.073,629 -0.276,630 -0.045,631 -0.075,632 0.064,633 -0.019,635 0.028,636 0.127,637 0.077,638 0.149,639 0.132,640 0.236,641 0.134,642 0.207,643 0.154,644 0.099,645 0.071,646 0.027,647 0.07,648 -0.072,649 -0.123,650 -0.05,651 -0.142,652 -0.082,653 -0.099,654 2.709,655 4.361,656 0.652,657 17.18,658 1.004,659 1.106,660 3.13,661 9.795,662 0.716,663 3.258,664 3.584,665 3.871,666 4.111,667 4.29,668 4.277,669 4.331,670 4.394,671 4.394,672 4.466,673 5.695,674 0.693,675 302.35,676 3.258,677 4.796,678 5.652,679 6.532,680 7.408,681 8.292,682 9.173,683 10.058,684 10.941,685 11.827,686 5.4,694 1,695 1,700 2,701 8,706 4,707 1,708 16,710 1,716 1,724 37,726 19,727 2,728 25,730 39,731 19,732 14,733 5,734 7,735 3,737 3,738 4,750 1,751 17,752 1,754 2,758 1,759 2,761 1,764 1,767 14,768 3,769 1,770 4,773 2,777 0.667,778 2,784 1,788 1,789 2,792 1,802 2,808 1,810 2,815 1,819 23,826 1,834 1,836 1,837 1,839 5.4,841 1,842 1,846 12.167,847 7.1,848 5.139,849 2.081,850 4.064,851 1.584,852 0.978,853 3.907,854 11.023,855 3.638,856 4.259,857 4.93,858 5.54,859 6.079,860 6.406,861 6.802,862 7.17,863 7.446,864 7.871,865 1,866 36,867 8.44,869 3.59,870 0.006,871 7.986,872 15.734,874 12.73,876 2.486,877 57.167,881 153.024,882 137.701,883 32.958,885 67.828,888 137.701,889 220.853,890 32.958,891 8.396,893 94.762,894 85.34,895 45.088,896 4.901,897 153.024,899 153.024,900 170.659,901 67.828,904 153.024,905 67.828,908 32.958,909 118.749,910 18.952,912 153.024,913 100.787,914 137.701,917 153.024,918 17.94,919 105.058,920 16.602,921 98.888,922 153.024,923 100.787,924 137.701,926 0.581,927 0.352,928 0.189,929 0.102,930 17,931 8,932 0.077,933 3,934 1,935 1.133,936 3.49,937 181.526,938 0.133,939 15,940 98.042,944 14.93,945 6.02,946 2.841,947 2.248,948 98.888,949 14.764,954 2.011,955 2.052,956 42.683,957 391.512,958 37,962 11.361,963 3.645,965 -1.043,967 37.16,968 40.907,969 0.284,970 0.658,971 0.83,972 0.965,973 0.975,974 0.975,975 4.868,976 1,977 5.645,978 3.011,979 4.263,980 4.945,981 2.596,982 6.472,983 4.231,984 6.114,985 0.902,986 7.22,987 2.426,988 3.892,989 4.796,991 7.424,992 3.827,993 7.437,994 0.68,995 8.897,996 2.123,997 5.872,998 7.239,999 3.78,1000 10.52,1001 5.805,1002 8.799,1003 0.408,1004 10.632,1005 1.52,1006 6.33,1007 7.958,1009 12.301,1010 6.221,1011 10.192,1012 -0.211,1013 12.404,1014 0.693,1015 7.788,1016 9.844,1017 5.078,1018 14.915,1019 7.675,1020 11.61,1021 -0.536,1022 14.202,1023 -0.47,1024 8.621,1025 10.975,1027 17.033,1028 8.467,1029 13.046,1030 -0.811,1031 16.018,1032 -1.191,1033 9.877,1034 12.634,1035 6.437,1036 19.481,1037 9.713,1038 3.166,1039 -0.83,1040 17.849,1041 -2,1042 10.881,1043 13.964,1045 21.738,1046 10.679,1047 3,1048 10.731,1049 19.691,1050 -2.004,1051 12.059,1052 15.528,1053 7.827,1054 24.125,1055 11.841,1056 2.299,1057 9.873,1058 21.541,1059 4.57,1060 13.137,1061 16.951,1063 26.438,1064 12.885,1065 2.224,1066 6.906,1067 23.398,1068 4.051,1069 14.287,1070 18.477,1071 9.233,1072 28.804,1073 14.012,1074 1.946,1075 6.552,1076 25.261,1077 3.152,1078 15.398,1079 19.945,1081 31.141,1082 15.092,1083 1.705,1084 5.344,1085 27.128,1086 3.046,1087 16.538,1088 21.457,1089 10.646,1090 33.5,1091 16.206,1092 1.39,1093 5.014,1094 28.999,1095 2.605,1096 17.664,1097 22.946,1099 35.849,1100 17.301,1101 5412,1102 9572,1103 16.414,1104 26.489,1105 39.364,1106 40.953,1107 39.221,1108 37.462,1109 37.439,1110 53.117,1111 6.943,1112 108.386,1113 36.82,1114 5.265,1115 6.059,1116 6.363,1117 5.13,1118 5.166,1119 7.57,1120 4.069,1121 17.726,1122 5.054,1123 11.968,1124 1.575,1125 1.638,1126 1.569,1127 1.498,1128 1.498,1129 2.125,1130 0.278,1131 4.335,1132 1.473,1133 4.144,1134 4.177,1135 4.106,1136 4.062,1137 7.475,1138 4.068,1139 3.951,1140 3.968,1141 3.914,1142 3.898,1143 6.82,1144 3.898,1145 3.529,1146 3.576,1147 3.445,1148 3.438,1149 6.351,1150 3.434,1151 3.349,1152 3.377,1153 3.318,1154 3.18,1155 4.946,1156 3.199,1157 3.254,1158 3.281,1159 3.157,1160 3.026,1161 4.663,1162 3.058,1163 3.073,1164 3.137,1165 2.932,1166 2.924,1167 4.347,1168 2.914,1169 2.94,1170 3.002,1171 2.839,1172 2.794,1173 4.011,1174 2.799,1175 2.788,1176 2.872,1177 2.562,1178 2.632,1179 3.815,1180 2.603,1181 0.185,1182 0.162,1183 0.267,1184 0.165,1185 0.127,1186 4.615,1187 0.183,1188 4.059,1189 0.081,1190 6.682,1191 0.429,1192 4.129,1193 0.122,1194 3.166,1195 4.57,1196 2.035,1197 10.731,1198 3.054,1199 1.951,1200 1.935,1201 2.033,1202 2.033,1203 1.153,1204 2.033,1205 1.933,1206 1.907,1207 2.028,1208 2.011,1209 1.144,1210 2.017,1211 1.656,1212 1.613,1213 1.795,1214 1.807,1215 0.902,1216 1.808,1217 1.285,1218 1.238,1219 1.534,1220 1.475,1221 0.581,1222 1.486,1223 1.157,1224 1.129,1225 1.319,1226 1.435,1227 0.384,1228 1.378,1229 1.085,1230 1.049,1231 1.247,1232 1.255,1233 0.227,1234 1.27,1235 0.914,1236 0.856,1237 1.104,1238 1.102,1239 0.189,1240 1.11,1241 0.808,1242 0.734,1243 1.094,1244 0.996,1245 0.077,1246 1.036,1247 3.932,1249 5.252,1250 2.398,1251 6.772,1252 4.844,1253 8.38,1254 7.018,1255 10.034,1257 1.971,1262 9.303,1270 8.895,1271 1.959,1272 25.633,1273 54.736,1274 126.776,1275 159.995,1276 185.995,1277 187.995,1278 187.995,1279 38.647,1280 6.959,1281 66.02,1282 66.02,1283 17,1284 12.359,1285 4.322,1286 3.7,1287 36.873,1288 80,1289 74,1290 0.231,1291 160.224,1292 278.02,1293 382.708,1294 9223,1296 16.397,1297 0.713,1298 0.544,1299 16.397,1300 12.523,1301 11.097,1302 0.444,1303 0.284,1304 7.033,1305 10.809,1306 6.825,1307 5.698,1308 11.097,1309 7.099,1310 9.896,1311 0.283,1312 0.15,1313 9.896,1314 5.239,1315 8.491,1316 0.181,1317 0.082,1318 8.491,1319 3.835,1320 6.888,1321 0.115,1322 0.043,1323 6.888,1324 2.602,1325 5.502,1326 0.076,1327 0.024,1328 5.502,1329 1.699,1330 0.36,1331 68.71,1332 0.247,1333 22.49,1334 0.639,1335 120,1336 357.175,1337 127.537,1338 356.878,1339 481.6,1340 330,1341 142,1342 349.244,1343 148.986,1344 360.864,1345 520.88,1346 338,1347 6.409}
{0 CHEMBL249674,1 1.818,2 12.345,3 1.427,4 2.037,5 103.233,6 9.032,7 0.387,8 3.953,9 4.025,10 3.804,11 3.517,12 5.196,13 3.511,14 4.481,15 4.594,16 4.117,17 3.895,18 5.95,19 3.874,20 4.738,21 4.881,22 4.218,23 4.073,24 6.056,25 4.021,26 4.849,27 5.004,28 4.15,29 4,30 6.3,31 3.977,32 4.759,33 4.928,34 3.979,35 3.859,36 6.246,37 3.856,38 4.537,39 4.702,40 3.892,41 3.79,42 6.094,43 3.739,44 4.521,45 4.72,46 3.747,47 3.69,48 6.003,49 3.623,50 4.323,51 4.51,52 3.599,53 3.484,54 5.721,55 3.438,56 0.205,57 0.679,58 8.924,59 4.444,60 38.809,61 4.227,62 0.675,63 1.066,64 14.898,65 7.169,66 92.99,67 7.306,68 0.678,69 1.367,70 27.834,71 10.644,72 94.149,73 10.573,74 1.035,75 1.394,76 32.727,77 10.714,78 179.802,79 10.279,80 1.139,81 1.181,82 25.274,83 8.806,84 186.877,85 9.144,86 0.702,87 1.029,88 18.875,89 7.969,90 151.579,91 9.473,92 0.759,93 0.986,94 21.014,95 7.965,96 118.828,97 9.838,98 0.569,99 0.795,100 16.883,101 6.356,102 102.55,103 7.1,104 41,105 44,106 0.308,107 0.665,108 0.767,109 0.825,110 0.825,111 0.825,112 3.408,113 0.971,114 -1.84,115 -1.9,116 -1.91,118 41.3,124 4,137 7,138 3,139 2,150 3,158 1,161 1,162 8,163 1,165 3,166 3,169 2,171 4,174 8,175 1,178 1,179 11,184 5,185 1,187 4,188 2,192 14,195 1,196 1,197 5,200 2,201 1,203 2,204 6,205 2,209 1,212 6,213 1,216 2,217 4,220 3,222 1,225 9,226 2,230 3,231 4,234 3,236 2,239 6,240 2,244 1,245 4,250 2,253 2,259 8,272 1314,273 19.126,274 19.126,275 19.126,276 19.126,277 19.126,278 17.11,279 23.068,280 11.092,281 19.535,282 15.182,283 15.182,284 15.182,285 15.182,286 15.182,287 11.848,288 26.876,289 5.113,290 15.819,291 3.706,292 1.594,293 0.992,294 0.652,295 0.652,296 0.652,297 4.083,300 1,301 1,302 751,303 4.123,307 327.093,314 1.895,315 57.794,318 1,319 0.83,320 1,321 0.4,323 0.83,324 1,325 0.72,326 65.5,327 358,328 4.931,329 4.725,330 7.666,331 4.433,332 3.511,333 4.759,334 2.035,335 13.61,336 3.212,337 4.397,338 4.059,339 6.45,340 4.022,341 3.032,342 4.04,343 1.437,344 9.959,345 2.995,346 4.123,347 3.634,348 6.019,349 3.755,350 2.747,351 3.655,352 1.058,353 8.54,354 2.762,355 3.823,356 3.538,357 5.565,358 3.284,359 2.291,360 3.102,361 0.86,362 6.614,363 2.271,364 3.478,365 2.709,366 5.238,367 3.157,368 2.215,369 2.75,370 0.4,371 6.516,372 2.083,373 3.303,374 2.681,375 4.931,376 2.922,377 1.952,378 2.476,380 5.39,381 1.873,382 3.073,383 2.242,384 4.407,385 2.666,386 1.697,387 2.089,389 4.323,390 1.632,391 2.947,392 2.181,393 4.028,394 2.21,395 1.254,396 1.668,398 3.186,399 1.187,400 2.664,401 1.977,402 3.613,403 2.005,404 1.023,405 1.5,407 2.578,408 1,409 2.532,410 1.349,411 3.538,412 2,413 1,414 1.475,416 2.424,417 0.994,418 2.5,419 1.32,420 3.414,421 1.952,422 1,423 1.194,425 2.275,426 0.946,427 2.238,428 1.256,429 3.247,430 1.946,431 1,432 1.055,434 2.136,435 0.932,436 2,437 1,438 2.989,439 1.524,440 0.566,441 1,443 0.966,444 0.539,445 1.431,446 0.743,447 2.809,448 0.909,449 -0.063,450 -0.09,452 -0.126,453 -0.06,454 1,455 0.427,456 2.599,457 0.476,458 -0.511,459 -0.675,461 -1.212,462 -0.49,463 13.533,464 0.467,465 0.848,466 0.029,467 40,468 1.379,469 21.5,470 0.741,471 18.5,472 0.638,473 20.83,474 0.718,475 31.467,476 0.684,477 34.383,478 1.186,479 7.971,480 0.275,481 5.853,482 0.202,483 0.153,484 0.062,485 0.288,490 0.672,491 1.3,492 0.772,493 1.225,494 0.646,495 0.901,496 0.723,497 0.982,498 0.818,499 0.865,500 0.506,501 0.884,502 0.928,503 1.204,504 1.327,505 1.306,506 0.756,507 1.067,508 1.311,509 1.09,510 1.375,511 1.213,512 1.427,513 1.082,514 1.358,515 0.8,516 0.894,517 0.705,518 1.464,519 0.868,520 0.562,521 1.007,522 0.741,523 1.058,524 0.589,525 1.124,526 0.537,527 0.855,528 0.77,529 0.929,530 0.528,531 1.013,532 1.048,533 0.957,534 0.839,535 0.876,536 0.932,537 0.942,538 7,539 0.215,540 4.444,541 2.5,542 1.724,543 1.278,544 0.607,545 0.457,546 0.312,547 0.236,548 10653,549 40265,550 1.985,551 37,553 15,556 2,561 1.717,562 1.822,563 3.558,564 0.33,565 1,566 1,570 83.622,571 1.818,572 3.93,573 4.531,574 4.871,575 4.871,576 4.871,577 3.017,578 4.28,579 4.83,580 3.731,581 1514.67,582 8.398,583 20859.6,585 1,587 1,588 254.084,589 1.658,590 4.76,591 0.226,592 0.009,593 0.101,594 0.052,595 0.039,596 0.033,597 0.018,598 0.015,599 0.012,600 0.01,601 0.516,602 0.33,603 0.88,604 0.904,605 148.608,606 -0.019,607 -0.143,608 0.168,609 -0.079,610 -0.085,611 0.024,612 0.124,613 0.103,614 0.049,615 0.129,616 0.167,617 0.028,618 -0.111,619 -0.135,620 -0.15,621 -0.128,622 -0.002,623 -0.062,624 -0.233,625 -0.087,626 -0.256,627 -0.154,628 -0.22,629 -0.116,630 -0.189,631 0.098,632 -0.049,633 0.14,634 -0.223,635 0.081,636 0.241,637 -0.073,638 0.099,639 -0.126,640 0.234,641 -0.105,642 0.282,643 0.063,644 0.143,645 -0.002,646 0.239,647 0.039,648 -0.089,649 -0.048,650 0.109,651 0.065,652 -0.01,653 0.082,654 4.592,655 5.618,656 0.621,657 28.597,658 1.033,659 1.121,660 0.613,661 0.376,662 0.69,663 3.466,664 3.807,665 4.06,666 4.234,667 4.431,668 4.454,669 4.533,670 4.431,671 4.489,672 4.595,673 7.14,674 0.679,675 415.46,676 3.466,677 5.017,678 5.866,679 6.746,680 7.615,681 8.498,682 9.373,683 10.258,684 11.135,685 12.02,686 6.5,689 1,693 1,695 1,701 7,706 5,708 12,710 1,714 1,716 1,724 46,726 17,727 2,728 31,730 48,731 19,732 12,733 5,734 7,735 2,737 3,738 3,750 1,751 14,752 4,754 4,756 1,758 4,761 2,764 1,767 17,768 9,769 2,770 10,771 1,773 3,777 1,778 6,789 3,808 1,809 1,810 3,813 1,819 29,823 1,826 1,827 4,828 1,829 1,832 1,834 1,836 1,837 1,839 13,841 1,842 4,843 1,846 15.917,847 8.183,848 6.417,849 2.556,850 2.561,851 1.354,852 0.951,853 6.19,854 9.793,855 3.784,856 4.357,857 4.879,858 5.334,859 5.829,860 6.104,861 6.412,862 6.324,863 6.542,864 6.929,865 1,866 48,867 11.032,869 5.104,870 0.006,871 8.365,872 19.517,874 16.009,876 2.865,877 83.083,881 176.567,882 121.618,883 50.589,885 148.286,887 5.807,888 115.81,889 324.853,890 50.589,892 31.407,893 72.141,894 170.502,895 46.442,897 176.567,899 176.567,900 166.399,901 148.286,902 5.807,904 176.567,905 137.286,906 11,908 63.985,909 102.414,910 5.807,912 176.567,913 198.875,914 121.618,916 5.807,917 176.567,918 32.875,919 67.852,920 34.612,921 179.345,922 176.567,923 198.875,924 121.618,926 0.588,927 0.35,928 0.175,929 0.094,930 20,931 10,932 0.104,933 5,935 1,936 3.943,937 247.412,939 18,940 130.881,943 1,944 20.816,945 8.624,946 4.572,948 198.875,949 9.25,954 0.181,956 60.694,957 497.059,958 43,960 -3.676,962 49.068,965 -1.892,967 47.531,968 51.578,969 0.329,970 0.712,971 0.82,972 0.882,973 0.882,974 0.882,975 5.043,976 1.254,977 5.894,978 4.323,979 4.489,980 5.043,981 2.859,982 6.763,983 4.414,984 6.287,985 1.023,986 7.508,987 3.186,988 4.29,989 5.139,991 8.04,992 4.164,993 7.64,994 1,995 9.243,996 2.578,997 6.184,998 7.335,999 3.86,1000 11.103,1001 6.02,1002 9.035,1003 1,1004 11.055,1005 2.424,1006 6.815,1007 8.269,1009 13.245,1010 6.573,1011 10.471,1012 1,1013 12.919,1014 2.275,1015 8.245,1016 10.014,1017 5.101,1018 15.947,1019 7.959,1020 11.935,1021 0.566,1022 14.82,1023 2.136,1024 9.224,1025 11.291,1027 18.392,1028 8.847,1029 13.421,1030 -0.063,1031 16.749,1032 0.966,1033 10.504,1034 12.892,1035 6.443,1036 21.013,1037 10.067,1038 3.511,1039 -0.511,1040 18.7,1041 -0.126,1042 11.63,1043 14.314,1045 23.562,1046 11.096,1047 3.032,1048 13.61,1049 20.667,1050 -1.212,1051 12.867,1052 15.87,1053 7.829,1054 26.168,1055 12.258,1056 2.747,1057 9.959,1058 22.648,1059 4.759,1060 14.056,1061 17.357,1063 28.754,1064 13.349,1065 2.291,1066 8.54,1067 24.64,1068 4.04,1069 15.286,1070 18.901,1071 9.233,1072 31.359,1073 14.492,1074 2.215,1075 6.614,1076 26.64,1077 3.655,1078 16.503,1079 20.421,1081 33.959,1082 15.611,1083 1.952,1084 6.516,1085 28.647,1086 3.102,1087 17.736,1088 21.964,1089 10.646,1090 36.566,1091 16.751,1092 1.697,1093 5.39,1094 30.66,1095 2.75,1096 18.966,1097 23.5,1099 39.172,1100 17.883,1101 10477,1102 20510,1103 19.879,1104 31.722,1105 48.037,1106 51.764,1107 48.406,1108 46.593,1109 46.576,1110 61.525,1111 11.579,1112 137.034,1113 44.854,1114 5.931,1115 6.725,1116 7.468,1117 5.536,1118 5.511,1119 7.759,1120 4.069,1121 21.569,1122 5.212,1123 17.144,1124 1.55,1125 1.67,1126 1.561,1127 1.503,1128 1.502,1129 1.985,1130 0.374,1131 4.42,1132 1.447,1133 4.103,1134 4.089,1135 4.742,1136 4.08,1137 7.715,1138 4.002,1139 3.953,1140 3.967,1141 3.935,1142 3.883,1143 7.475,1144 3.881,1145 3.775,1146 3.809,1147 3.755,1148 3.651,1149 7.429,1150 3.629,1151 3.528,1152 3.514,1153 3.517,1154 3.359,1155 6.999,1156 3.336,1157 3.348,1158 3.355,1159 3.333,1160 3.149,1161 6.82,1162 3.181,1163 3.239,1164 3.247,1165 3.213,1166 2.977,1167 6.351,1168 3.013,1169 3.111,1170 3.206,1171 2.976,1172 2.941,1173 4.691,1174 2.91,1175 3.015,1176 3.049,1177 2.866,1178 2.811,1179 4.624,1180 2.834,1181 0.159,1182 0.152,1183 0.247,1184 0.143,1185 0.113,1186 4.931,1187 0.154,1188 4.725,1189 0.066,1190 7.666,1191 0.439,1192 4.433,1193 0.104,1194 3.511,1195 4.759,1196 2.035,1197 13.61,1198 3.212,1199 1.984,1200 1.989,1201 2.017,1202 2.071,1203 1.279,1204 2.096,1205 1.913,1206 1.898,1207 1.969,1208 2.007,1209 1.116,1210 2.006,1211 1.707,1212 1.674,1213 1.889,1214 1.902,1215 1.079,1216 1.904,1217 1.368,1218 1.384,1219 1.513,1220 1.563,1221 0.825,1222 1.568,1223 1.208,1224 1.2,1225 1.345,1226 1.459,1227 0.571,1228 1.429,1229 1.153,1230 1.064,1231 1.247,1232 1.376,1233 0.256,1234 1.399,1235 1.075,1236 1.061,1237 1.181,1238 1.361,1239 0.227,1240 1.331,1241 0.902,1242 0.876,1243 1.133,1244 1.148,1245 0.218,1246 1.122,1247 4.143,1249 5.476,1251 7.015,1253 8.639,1255 10.307,1262 9.278,1263 1.189,1264 2.475,1265 5.16,1268 1.321,1270 8.891,1271 1.837,1272 31.228,1273 83.622,1274 180.781,1275 208.432,1276 224.084,1277 224.084,1278 224.084,1279 92.326,1280 7.232,1281 136.8,1282 145.18,1283 18,1284 12.554,1285 4.17,1286 3.7,1287 52.686,1288 126,1289 116,1290 0.206,1291 197.062,1292 356.23,1293 472.591,1294 13229,1296 21.018,1297 0.725,1298 0.551,1299 21.268,1300 15.978,1301 13.824,1302 0.446,1303 0.324,1304 8.559,1305 12.377,1306 8.31,1307 6.813,1308 14.612,1309 10.035,1310 12.736,1311 0.289,1312 0.184,1313 14.055,1314 8.11,1315 10.551,1316 0.185,1317 0.11,1318 11.892,1319 6.264,1320 8.121,1321 0.119,1322 0.062,1323 9.217,1324 4.216,1325 6.346,1326 0.076,1327 0.034,1328 7.239,1329 2.821,1330 0.328,1331 95.876,1332 0.224,1333 27.732,1334 0.552,1335 150,1336 573.311,1337 208.878,1338 562.635,1339 732.29,1340 514,1341 176,1342 478.635,1343 241.423,1344 519.275,1345 755.18,1346 485,1347 5.488}
{0 CHEMBL249879,1 1.767,2 10.296,3 1.548,4 2.397,5 97.495,6 8.677,7 0.414,8 3.929,9 4.005,10 3.756,11 3.48,12 5.104,13 3.465,14 4.466,15 4.585,16 4.067,17 3.856,18 5.912,19 3.826,20 4.715,21 4.868,22 4.153,23 4.021,24 5.979,25 3.959,26 4.812,27 4.97,28 4.117,29 3.955,30 6.217,31 3.921,32 4.732,33 4.891,34 4.01,35 3.84,36 6.183,37 3.834,38 4.587,39 4.752,40 3.865,41 3.796,42 6.194,43 3.741,44 4.517,45 4.711,46 3.717,47 3.747,48 5.675,49 3.663,50 4.458,51 4.641,52 3.707,53 3.599,54 5.737,55 3.534,56 0.186,57 0.657,58 9.86,59 4.503,60 30.708,61 4.569,62 0.649,63 1.038,64 16.211,65 7.233,66 81.139,67 7.761,68 0.633,69 1.31,70 29.147,71 10.543,72 73.23,73 10.991,74 0.958,75 1.312,76 32.633,77 10.45,78 147.194,79 10.592,80 1.042,81 1.147,82 27.209,83 8.764,84 153.119,85 9.388,86 0.949,87 1.038,88 21.458,89 8.267,90 164.737,91 9.816,92 0.497,93 0.989,94 19.916,95 8.215,96 65.468,97 9.932,98 0.585,99 0.918,100 20.824,101 7.367,102 82.713,103 8.077,104 27,105 41,106 0.303,107 0.629,108 0.741,109 0.832,110 0.858,111 0.858,112 3.34,113 0.998,114 -2.42,115 -2.45,116 -2.4,118 40,124 4,137 8,138 2,139 2,150 2,158 1,161 1,162 8,163 1,165 3,166 2,169 2,171 4,174 8,175 1,178 1,179 9,184 5,185 1,187 4,188 2,192 11,195 1,196 1,197 4,200 2,201 1,203 2,204 7,205 1,209 2,212 6,213 1,216 4,217 4,220 4,222 1,225 7,226 2,231 4,236 2,239 6,240 1,245 8,250 1,253 3,254 1,258 1,259 7,260 3,262 1,264 1,267 1,272 1086,273 17.808,274 17.808,275 17.808,276 17.808,277 17.808,278 15.857,279 19.743,280 10.497,281 18.207,282 14.288,283 14.288,284 14.288,285 14.288,286 14.288,287 11.204,288 24.532,289 4.919,290 14.899,291 3.725,292 1.822,293 1.172,294 0.639,295 0.489,296 0.489,297 4.016,300 1,301 1,302 585,303 3.937,307 282.767,314 1.641,315 52.206,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 278,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 1.437,335 13.624,336 3.219,337 4.344,338 3.634,339 6.425,340 3.985,341 2.996,342 3.945,343 1.058,344 9.843,345 2.956,346 4.107,347 3.536,348 6.043,349 3.739,350 2.732,351 3.643,352 0.86,353 8.614,354 2.744,355 3.462,356 2.709,357 5.539,358 3.14,359 2.199,360 2.721,361 0.4,362 6.504,363 2.066,364 3.32,365 2.612,366 4.925,367 2.941,368 1.965,369 2.55,371 5.355,372 1.898,373 3.089,374 2.202,375 4.411,376 2.71,377 1.732,378 2.152,380 4.307,381 1.677,382 2.892,383 1.954,384 4.014,385 2.445,386 1.466,387 2.03,389 3.368,390 1.433,391 2.667,392 1.538,393 3.685,394 2.209,395 1.263,396 1.697,398 2.897,399 1.186,400 2.534,401 1.322,402 3.538,403 2.015,404 1,405 1.48,407 2.539,408 1.009,409 2.526,410 1.312,411 3.466,412 2.005,413 1,414 1.472,416 2.389,417 0.994,418 2.236,419 1.256,420 3.452,421 1.952,422 1,423 1.186,425 2.303,426 0.946,427 2,428 1.095,429 3.247,430 1.928,431 1,432 1,434 2.136,435 0.917,436 1.287,437 0.553,438 2.813,439 0.903,440 -0.094,441 -0.12,443 -0.23,444 -0.092,445 1,446 0.402,447 2.685,448 0.335,449 -0.654,450 -0.744,452 -1.563,453 -0.625,454 0.818,455 0.09,456 2.473,457 0.231,458 -0.732,459 -0.921,461 -1.671,462 -0.703,463 12.633,464 0.468,465 0.78,466 0.029,467 35.75,468 1.324,469 18.5,470 0.685,471 17.25,472 0.639,473 19.722,474 0.73,475 29.967,476 0.666,477 30.517,478 1.13,479 7.256,480 0.269,481 5.636,482 0.209,483 0.132,484 0.066,485 0.269,490 0.665,491 1.348,492 0.787,493 1.251,494 0.67,495 0.935,496 0.718,497 1.038,498 0.831,499 0.895,500 0.52,501 0.921,502 0.922,503 1.214,504 1.306,505 1.292,506 0.778,507 1.048,508 1.302,509 1.084,510 1.295,511 1.165,512 1.475,513 1.032,514 1.323,515 0.92,516 0.957,517 0.874,518 1.535,519 0.904,520 0.628,521 0.814,522 0.833,523 0.874,524 0.712,525 1.016,526 0.761,527 1.049,528 0.789,529 0.973,530 0.698,531 1.069,532 1.145,533 1.1,534 1.053,535 1.041,536 1.109,537 1.048,538 6,539 0.099,540 4,541 2.438,542 1.431,543 1.16,544 0.487,545 0.361,546 0.309,547 0.267,548 8307,549 29437,550 2.005,551 40,553 16,556 2,561 1.702,562 1.851,563 3.352,564 0.341,565 1,566 1,570 79.506,571 1.767,572 3.67,573 4.32,574 4.853,575 5.003,576 5.003,577 2.769,578 4.208,579 4.73,580 3.518,581 1234.85,582 8.216,583 15774.8,585 1,587 1,588 247.133,589 1.623,590 4.663,591 0.207,592 0.005,593 0.098,594 0.055,595 0.035,596 0.031,597 0.014,598 0.012,599 0.012,600 0.012,601 0.48,602 0.33,603 1,604 0.803,605 133.378,606 -0.012,607 -0.153,608 0.18,609 -0.077,610 -0.111,611 0.025,612 0.133,613 0.081,614 0.047,615 0.102,616 0.181,618 -0.1,619 -0.12,620 -0.121,621 -0.113,623 -0.043,624 -0.207,625 -0.066,626 -0.175,627 -0.107,628 -0.198,629 -0.077,630 -0.146,631 0.019,632 -0.042,633 0.03,634 -0.215,635 0.028,636 0.299,637 0.149,639 0.028,640 0.294,641 -0.046,642 -0.028,643 -0.112,644 0.052,645 -0.044,646 -0.023,647 -0.037,648 -0.178,649 -0.124,650 -0.032,651 -0.051,652 -0.138,653 -0.062,654 4.65,655 5.725,656 0.667,657 22.486,658 1.029,659 1.122,660 1.192,661 1.422,662 0.677,663 3.401,664 3.738,665 3.989,666 4.174,667 4.357,668 4.317,669 4.382,670 4.357,671 4.419,672 4.5,673 6.285,674 0.661,675 390.45,676 3.401,677 4.949,678 5.796,679 6.676,680 7.544,681 8.427,682 9.301,683 10.185,684 11.063,685 11.948,686 4.4,689 1,693 1,701 8,706 4,708 12,714 1,716 1,724 45,726 16,727 2,728 29,730 47,731 18,732 12,733 4,734 8,735 2,737 3,738 3,751 14,752 4,754 4,756 1,758 4,761 2,764 1,767 18,768 8,769 2,770 9,771 1,773 2,777 1,778 6,789 3,808 1,809 1,810 3,813 1,819 27,823 1,826 1,827 4,828 1,829 1,832 1,839 13.3,841 1,842 4,843 1,846 14.583,847 7.817,848 5.917,849 2.499,850 2.492,851 1.352,852 0.956,853 5.8,854 9.564,855 3.689,856 4.277,857 4.771,858 5.231,859 5.706,860 5.833,861 6.104,862 6.182,863 6.402,864 6.765,865 0.857,866 44,867 10.33,869 4.799,870 0.006,871 8.275,872 18.409,874 15.166,876 2.775,877 74.917,881 188.338,882 111.307,883 19.529,885 148.286,887 5.807,888 105.499,889 336.624,890 19.529,892 31.407,893 81.617,894 153.901,895 12.197,897 188.338,899 188.338,900 125.029,901 148.286,902 5.807,904 188.338,905 137.286,906 11,908 32.925,909 92.103,910 5.807,912 188.338,913 167.815,914 111.307,916 5.807,917 188.338,918 29.689,919 77.329,920 18.011,921 148.286,922 188.338,923 167.815,924 111.307,926 0.587,927 0.347,928 0.179,929 0.094,930 19,931 9,932 0.106,933 5,935 1,936 3.752,937 227.582,939 18,940 122.382,943 1,944 19.362,945 8.088,946 4.299,948 167.815,949 11.64,954 0.201,956 60.694,957 467.46,958 39,960 -3.733,962 49.215,965 -1.766,967 46.313,968 50.495,969 0.322,970 0.668,971 0.787,972 0.884,973 0.911,974 0.911,975 4.934,976 1.263,977 5.82,978 3.368,979 4.419,980 4.963,981 2.216,982 6.691,983 4.341,984 6.166,985 1,986 7.433,987 2.897,988 4.205,989 5.056,991 7.987,992 4.066,993 7.518,994 1,995 9.173,996 2.539,997 6.111,998 7.249,999 2.578,1000 11.064,1001 5.937,1002 8.917,1003 1,1004 10.993,1005 2.389,1006 6.746,1007 8.193,1009 13.225,1010 6.487,1011 10.359,1012 1,1013 12.867,1014 2.303,1015 8.188,1016 9.943,1017 3.101,1018 15.934,1019 7.885,1020 11.832,1021 -0.094,1022 14.778,1023 2.136,1024 9.177,1025 11.232,1027 18.387,1028 8.778,1029 13.329,1030 -0.654,1031 16.717,1032 -0.23,1033 10.465,1034 12.839,1035 3.715,1036 21.012,1037 10.006,1038 3.515,1039 -0.732,1040 18.675,1041 -1.563,1042 11.599,1043 14.27,1045 23.564,1046 11.041,1047 2.996,1048 13.624,1049 20.649,1050 -1.671,1051 12.842,1052 15.832,1053 4.381,1054 26.173,1055 12.208,1056 2.732,1057 9.843,1058 22.635,1059 4.763,1060 14.036,1061 17.326,1063 28.761,1064 13.302,1065 2.199,1066 8.614,1067 24.63,1068 3.945,1069 15.27,1070 18.875,1071 5.075,1072 31.368,1073 14.45,1074 1.965,1075 6.504,1076 26.634,1077 3.643,1078 16.491,1079 20.4,1081 33.97,1082 15.571,1083 1.732,1084 5.355,1085 28.643,1086 2.721,1087 17.728,1088 21.948,1089 5.783,1090 36.578,1091 16.714,1092 1.466,1093 4.307,1094 30.658,1095 2.55,1096 18.962,1097 23.487,1099 39.185,1100 17.849,1101 8161,1102 15502,1103 18.781,1104 30.477,1105 43.943,1106 46.202,1107 44.96,1108 43.756,1109 43.735,1110 57.279,1111 7.51,1112 127.757,1113 42.091,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 2.873,1121 21.624,1122 5.219,1123 14.553,1124 1.515,1125 1.593,1126 1.55,1127 1.509,1128 1.508,1129 1.975,1130 0.259,1131 4.405,1132 1.451,1133 4.104,1134 4.089,1135 4.742,1136 4.081,1137 7.715,1138 4.002,1139 3.932,1140 3.95,1141 3.906,1142 3.855,1143 7.475,1144 3.851,1145 3.77,1146 3.805,1147 3.742,1148 3.643,1149 7.429,1150 3.621,1151 3.512,1152 3.491,1153 3.514,1154 3.348,1155 6.999,1156 3.316,1157 3.28,1158 3.292,1159 3.236,1160 3.054,1161 6.351,1162 3.075,1163 3.26,1164 3.266,1165 3.204,1166 3.012,1167 4.727,1168 3.054,1169 3.111,1170 3.206,1171 2.866,1172 2.941,1173 4.652,1174 2.91,1175 2.842,1176 2.902,1177 2.715,1178 2.721,1179 4.603,1180 2.711,1181 0.17,1182 0.163,1183 0.264,1184 0.153,1185 0.121,1186 4.934,1187 0.164,1188 4.726,1189 0.05,1190 7.668,1191 0.47,1192 4.437,1193 0.111,1194 3.515,1195 4.763,1196 1.437,1197 13.624,1198 3.219,1199 1.984,1200 1.99,1201 2.021,1202 2.071,1203 1.28,1204 2.097,1205 1.897,1206 1.878,1207 1.974,1208 2,1209 1.112,1210 2.002,1211 1.704,1212 1.669,1213 1.89,1214 1.9,1215 1.073,1216 1.903,1217 1.341,1218 1.364,1219 1.513,1220 1.538,1221 0.825,1222 1.55,1223 1.154,1224 1.131,1225 1.346,1226 1.429,1227 0.556,1228 1.429,1229 1.153,1230 1.105,1231 1.247,1232 1.39,1233 0.325,1234 1.386,1235 1.11,1236 1.064,1237 1.159,1238 1.376,1239 0.227,1240 1.356,1241 0.851,1242 0.795,1243 1.1,1244 1.026,1245 0.184,1246 1.057,1247 4.078,1249 5.407,1251 6.944,1253 8.568,1255 10.237,1262 9.198,1263 1.159,1264 2.518,1265 5.171,1268 1.313,1272 29.733,1273 79.506,1274 165.133,1275 194.379,1276 218.379,1277 225.133,1278 225.133,1279 78.643,1280 7.072,1281 113.01,1282 121.39,1283 18,1284 12.482,1285 4.087,1286 3.459,1287 46.928,1288 102,1289 93,1290 0.225,1291 186.53,1292 333.21,1293 446.894,1294 10901,1296 19.441,1297 0.72,1298 0.56,1299 19.691,1300 15.108,1301 12.892,1302 0.445,1303 0.333,1304 8.183,1305 11.488,1306 7.944,1307 6.515,1308 13.681,1309 9.65,1310 11.945,1311 0.291,1312 0.19,1313 13.264,1314 7.787,1315 9.728,1316 0.184,1317 0.113,1318 11.055,1319 6.004,1320 7.677,1321 0.12,1322 0.065,1323 8.782,1324 4.161,1325 6.027,1326 0.078,1327 0.036,1328 7.031,1329 2.802,1330 0.352,1331 89.931,1332 0.231,1333 25.783,1334 0.624,1335 140,1336 521.666,1337 198.185,1338 508.722,1339 665.62,1340 466,1341 164,1342 435.227,1343 228.757,1344 473.367,1345 692.4,1346 443,1347 5.222}
{0 CHEMBL249990,1 1.622,2 16.39,3 4.44,4 19.714,5 159.015,6 7.968,7 0.4,8 4.373,9 4.47,10 4.09,11 3.976,12 5.495,13 3.938,14 4.883,15 5.03,16 4.381,17 4.327,18 6.186,19 4.273,20 5.132,21 5.3,22 4.525,23 4.501,24 6.37,25 4.415,26 5.276,27 5.457,28 4.565,29 4.559,30 6.475,31 4.472,32 5.347,33 5.522,34 4.509,35 4.528,36 6.777,37 4.46,38 5.302,39 5.528,40 4.401,41 4.46,42 6.483,43 4.374,44 5.182,45 5.366,46 4.305,47 4.379,48 6.476,49 4.316,50 5.133,51 5.34,52 4.17,53 4.334,54 6.297,55 4.245,56 0.147,57 1.023,58 16.266,59 7.136,60 27.809,61 8.269,62 0.459,63 1.614,64 27.05,65 11.779,66 92.474,67 14.531,68 0.678,69 2.037,70 37.784,71 15.287,72 107.866,73 18.402,74 0.699,75 2.274,76 54.133,77 18.952,78 123.789,79 21.756,80 1.235,81 2.299,82 47.969,83 17.146,84 252.121,85 20.081,86 0.766,87 2.202,88 52.883,89 18.086,90 137.576,91 22.239,92 0.745,93 1.908,94 41.495,95 15.255,96 142.291,97 17.918,98 0.719,99 1.805,100 39.073,101 14.826,102 140.598,103 18.373,104 83,105 67,106 0.249,107 0.589,108 0.741,109 0.813,110 0.841,111 0.841,112 3.741,113 0.987,114 -3.64,115 -3.61,116 -3.44,118 43.1,119 3,120 3,126 2,135 2,137 10,138 6,139 2,148 2,150 1,158 1,161 1,162 20,165 1,169 3,171 5,172 1,174 24,175 1,178 1,179 5,182 3,183 2,184 6,187 22,188 1,192 11,193 2,195 2,197 9,200 14,201 2,203 2,204 10,207 2,209 11,212 9,213 4,217 16,222 10,225 11,226 5,231 13,236 9,239 15,240 2,245 8,250 7,253 19,254 3,259 9,264 6,267 17,268 1,272 3414,273 26.712,274 26.712,275 26.712,276 26.712,277 26.712,278 23.57,279 29.32,280 15.149,281 26.919,282 22.161,283 22.161,284 22.161,285 22.161,286 22.161,287 17.189,288 39.496,289 7.182,290 22.528,291 4.548,292 2.336,293 1.351,294 0.879,295 0.698,296 0.698,297 4.427,301 1,302 1458,303 4.743,304 82.959,305 113.667,307 481.517,314 2.527,315 64.799,318 0.75,319 0.5,320 0.67,321 0.7,322 0.5,323 0.5,325 0.52,326 89.5,327 672,328 4.927,329 4.731,330 7.507,331 4.418,332 3.491,333 4.788,334 2.374,335 13.338,336 3.328,337 4.656,338 3.969,339 6.957,340 4.314,341 3.308,342 4.163,343 0.4,344 11.656,345 3.213,346 4.283,347 3.743,348 6.176,349 3.911,350 2.914,351 3.937,352 0.4,353 9.202,354 2.905,355 4.102,356 2.954,357 6.061,358 3.767,359 2.777,360 3.715,361 0.159,362 8.684,363 2.742,364 3.946,365 2.871,366 5.757,367 3.608,368 2.628,369 3.449,371 7.742,372 2.57,373 3.769,374 2.823,375 5.54,376 3.558,377 2.566,378 3.029,380 7.499,381 2.536,382 3.644,383 2.782,384 5.393,385 3.393,386 2.406,387 2.823,389 7.012,390 2.364,391 3.526,392 2.693,393 5.228,394 3.176,395 2.186,396 2.656,398 6.467,399 2.156,400 3.301,401 2.491,402 4.941,403 2.906,404 1.907,405 2.57,407 5.486,408 1.905,409 3.232,410 2.189,411 4.879,412 2.879,413 1.879,414 2.481,416 5.225,417 1.879,418 3.043,419 2.147,420 4.855,421 2.579,422 1.576,423 2.153,425 4.616,426 1.573,427 2.899,428 2.114,429 4.826,430 2.504,431 1.485,432 1.945,434 4.527,435 1.501,436 2.78,437 1.91,438 4.277,439 2.338,440 1.32,441 1.74,443 3.801,444 1.335,445 2.604,446 1.529,447 3.833,448 2.142,449 1.144,450 1.64,452 2.675,453 1.135,454 2.5,455 1.171,456 3.489,457 2.024,458 1.035,459 1.5,461 2.505,462 1.009,463 19.533,464 0.476,465 1.42,466 0.035,467 52.75,468 1.287,469 27.5,470 0.671,471 25.25,472 0.616,473 39.58,474 0.965,475 44.067,476 0.612,477 48.823,478 1.191,479 10.149,480 0.248,481 9.275,482 0.226,483 0.179,484 0.043,485 0.384,490 0.612,491 1.138,492 0.807,493 1.086,494 0.638,495 0.898,496 0.505,497 1.164,498 0.797,499 1.022,500 0.481,501 0.961,502 0.728,503 1.049,504 1.002,505 1.045,506 0.746,507 1.04,508 0.963,509 1.183,510 1.343,511 1.338,512 0.969,513 1.059,514 1.353,515 1.067,516 1.125,517 1.011,518 1.362,519 1.105,520 1.093,521 0.891,522 1.007,523 0.936,524 1.024,525 0.847,526 1.435,527 0.969,528 1.068,529 0.974,530 1.43,531 1.013,532 1.228,533 0.872,534 0.906,535 0.822,536 1.218,537 0.949,538 11,539 0.337,540 5.611,541 4.778,542 2.661,543 1.92,544 1.158,545 0.87,546 0.587,547 0.391,548 30984,549 87929,550 2.026,551 43.1,552 9,553 12,556 4,558 6,561 1.802,562 1.843,563 3.942,564 1.411,570 116.81,571 1.622,572 3.834,573 4.819,574 5.291,575 5.472,576 5.472,577 3.369,578 4.919,579 5.331,580 4.175,581 3423.6,582 9.396,583 63035.8,588 444.235,589 1.671,590 5.255,591 0.244,592 0.008,593 0.091,594 0.072,595 0.039,596 0.03,597 0.019,598 0.016,599 0.012,600 0.008,601 0.539,602 0.17,603 0.5,604 0.742,605 236.675,606 0.001,607 0.024,608 0.142,609 0.029,610 -0.101,611 0.072,612 0.22,613 -0.08,614 0.097,615 -0.01,616 0.197,617 0.01,618 0.105,619 0.032,620 0.008,621 -0.001,622 0.034,623 -0.066,624 -0.018,625 -0.133,626 -0.088,627 -0.161,628 -0.029,629 -0.046,630 -0.064,631 -0.068,632 -0.182,633 -0.08,634 -0.019,635 -0.18,636 -0.086,637 0.079,638 0.067,639 0.078,640 -0.023,641 0.159,642 -0.221,643 -0.013,644 -0.14,645 -0.031,646 -0.157,647 -0.058,648 -0.175,649 0.048,650 -0.048,651 0.091,652 -0.159,653 0.035,654 4.989,655 6.15,656 0.61,657 52.727,658 1.01,659 1.118,660 2.414,661 5.829,662 0.681,663 3.829,664 4.22,665 4.454,666 4.7,667 4.852,668 4.949,669 4.977,670 5.075,671 5.176,672 5.263,673 9.608,674 0.652,675 573.72,676 3.829,677 5.416,678 6.282,679 7.192,680 8.072,681 8.984,682 9.869,683 10.782,684 11.67,685 12.584,686 4.2,688 2,691 1,701 10,706 8,708 18,718 1,724 72,726 24,727 3,728 45,730 76,731 31,732 18,733 8,734 10,735 4,737 5,738 5,743 3,746 3,749 5,751 23,752 8,754 6,756 1,758 5,761 5,767 31,768 9,769 4,770 10,771 1,773 3,777 1,778 6,786 1,787 1,789 3,796 2,800 1,802 2,805 1,808 1,810 5,813 1,815 3,819 41,823 1,826 1,827 3,828 3,831 2,839 8.3,841 1,842 5,846 22.25,847 13.7,848 8.681,849 4.258,850 3.731,851 1.441,852 0.984,853 7.889,854 12.198,855 4.111,856 4.749,857 5.251,858 5.767,859 6.205,860 6.447,861 6.712,862 7.071,863 7.404,864 7.733,865 0.909,866 66,867 15.69,869 7.355,870 0.006,871 8.043,872 28.684,874 24.526,876 2.543,877 104.25,881 317.82,882 174.76,883 52.426,885 162.431,887 5.807,888 168.953,889 480.251,890 52.426,891 26.476,892 7.604,893 134.986,894 197.132,895 23.421,897 317.82,899 317.82,900 221.379,901 162.431,902 5.807,904 247.193,905 233.058,908 68.495,909 129.36,910 29.332,912 317.82,913 214.858,914 174.76,916 5.807,917 317.82,918 47.715,919 121.238,920 52.426,921 162.431,922 317.82,923 214.858,924 174.76,926 0.603,927 0.34,928 0.179,929 0.091,930 33,931 17,932 0.145,933 11,935 1,936 5.008,937 409.953,939 25,940 203.66,943 1,944 28.751,945 11.25,946 6.435,948 214.858,949 18.065,954 5.122,956 95.11,957 707.438,958 60,960 -4.072,962 62.42,965 -1.708,967 72.716,968 80.484,969 0.263,970 0.621,971 0.781,972 0.858,973 0.887,974 0.887,975 5.396,976 2.186,977 6.326,978 7.012,979 4.905,980 5.438,981 2.374,982 7.207,983 4.872,984 6.658,985 1.907,986 7.941,987 6.467,988 4.796,989 5.557,990 2.243,991 8.385,992 4.727,993 8.02,994 1.879,995 9.661,996 5.486,997 6.627,998 7.72,999 3.697,1000 11.476,1001 6.539,1002 9.417,1003 1.576,1004 11.444,1005 5.225,1006 7.266,1007 8.608,1008 4.173,1009 13.481,1010 7.131,1011 10.848,1012 1.485,1013 13.269,1014 4.616,1015 8.666,1016 10.347,1017 5.289,1018 16.189,1019 8.508,1020 12.302,1021 1.32,1022 15.127,1023 4.527,1024 9.627,1025 11.575,1026 5.985,1027 18.533,1028 9.417,1029 13.777,1030 1.144,1031 17.01,1032 3.801,1033 10.886,1034 13.171,1035 6.962,1036 21.133,1037 10.644,1038 3.491,1039 1.035,1040 18.914,1041 2.675,1042 11.988,1043 14.559,1044 7.75,1045 23.612,1046 11.695,1047 3.308,1048 13.338,1049 20.835,1050 2.505,1051 13.206,1052 16.107,1053 8.666,1054 26.186,1055 12.874,1056 2.914,1057 11.656,1058 22.771,1059 4.788,1060 14.371,1061 17.572,1062 9.496,1063 28.72,1064 13.989,1065 2.777,1066 9.202,1067 24.719,1068 4.163,1069 15.582,1070 19.108,1071 10.384,1072 31.289,1073 15.157,1074 2.628,1075 8.684,1076 26.677,1077 3.937,1078 16.778,1079 20.613,1080 11.233,1081 33.847,1082 16.303,1083 2.566,1084 7.742,1085 28.643,1086 3.715,1087 17.993,1088 22.151,1089 12.108,1090 36.419,1091 17.471,1092 2.406,1093 7.499,1094 30.615,1095 3.449,1096 19.205,1097 23.678,1098 12.965,1099 38.988,1100 18.633,1101 29135,1102 49291,1103 28.956,1104 49.051,1105 69.506,1106 73.253,1107 72.261,1108 68.383,1109 68.315,1110 89.047,1111 6.666,1112 208.178,1113 67.363,1114 5.905,1115 6.731,1116 7.054,1117 5.478,1118 5.491,1119 7.788,1120 3.984,1121 21.338,1122 5.328,1123 26.914,1124 1.545,1125 1.628,1126 1.606,1127 1.52,1128 1.518,1129 1.979,1130 0.148,1131 4.626,1132 1.497,1133 4.122,1134 4.12,1135 4.739,1136 4.103,1137 7.717,1138 4.038,1139 4.032,1140 4.046,1141 4.006,1142 3.973,1143 7.501,1144 3.962,1145 3.952,1146 3.984,1147 3.903,1148 3.84,1149 7.473,1150 3.853,1151 3.82,1152 3.859,1153 3.784,1154 3.731,1155 7.349,1156 3.724,1157 3.755,1158 3.772,1159 3.721,1160 3.646,1161 6.999,1162 3.64,1163 3.692,1164 3.698,1165 3.656,1166 3.615,1167 6.351,1168 3.562,1169 3.479,1170 3.469,1171 3.469,1172 3.321,1173 4.843,1174 3.312,1175 3.266,1176 3.35,1177 3.067,1178 3.125,1179 4.686,1180 3.101,1181 0.109,1182 0.105,1183 0.167,1184 0.098,1185 0.078,1186 4.927,1187 0.106,1188 4.731,1189 0.053,1190 7.507,1191 0.296,1192 4.418,1193 0.074,1194 3.491,1195 4.788,1196 2.374,1197 13.338,1198 3.328,1199 2.018,1200 2.017,1201 2.101,1202 2.09,1203 1.309,1204 2.112,1205 1.998,1206 1.981,1207 2.062,1208 2.064,1209 1.254,1210 2.079,1211 1.855,1212 1.837,1213 1.947,1214 1.99,1215 1.113,1216 1.973,1217 1.752,1218 1.735,1219 1.819,1220 1.878,1221 0.976,1222 1.874,1223 1.592,1224 1.59,1225 1.675,1226 1.755,1227 0.862,1228 1.771,1229 1.372,1230 1.362,1231 1.639,1232 1.551,1233 0.825,1234 1.581,1235 1.303,1236 1.226,1237 1.628,1238 1.507,1239 0.75,1240 1.557,1241 1.177,1242 1.124,1243 1.513,1244 1.42,1245 0.719,1246 1.455,1247 4.511,1248 1.946,1249 5.905,1250 3.714,1251 7.489,1252 5.416,1253 9.156,1254 7.101,1255 10.865,1257 5.259,1262 9.806,1263 1.922,1264 8.545,1267 -1.108,1272 46.915,1273 116.81,1274 276.045,1275 346.976,1276 380.95,1277 393.97,1278 393.97,1279 121.356,1280 8.467,1281 141.67,1282 150.05,1283 25,1284 13.102,1285 4.644,1286 4,1287 66.711,1288 244,1289 209,1290 0.132,1291 288.601,1292 520.29,1293 695.947,1294 68763,1296 29.474,1297 0.719,1298 0.58,1299 29.724,1300 23.763,1301 19.424,1302 0.432,1303 0.329,1304 13.313,1305 18.131,1306 12.768,1307 10.6,1308 20.245,1309 14.802,1310 19.024,1311 0.284,1312 0.184,1313 20.287,1314 12.324,1315 14.775,1316 0.174,1317 0.102,1318 15.904,1319 8.652,1320 12.549,1321 0.115,1322 0.06,1323 13.953,1324 6.583,1325 9.07,1326 0.071,1327 0.031,1328 10.044,1329 3.929,1330 0.215,1331 129.259,1332 0.186,1333 37.178,1334 0.344,1335 224,1336 676.686,1337 279.652,1338 676.038,1339 903.76,1340 620,1341 267,1342 624.986,1343 334.565,1344 673.319,1345 985.27,1346 630,1347 6.377}
{0 CHEMBL262777,1 1.74,2 18.891,3 0.199,4 0.04,5 346.272,6 8.235,7 0.273,8 5.295,9 5.39,10 4.9,11 4.736,12 6.516,13 4.763,14 5.85,15 5.977,16 5.355,17 5.177,18 7.09,19 5.188,20 6.257,21 6.407,22 5.616,23 5.433,24 7.564,25 5.436,26 6.45,27 6.628,28 5.725,29 5.562,30 7.747,31 5.563,32 6.557,33 6.721,34 5.902,35 5.683,36 7.995,37 5.694,38 6.653,39 6.811,40 6.015,41 5.809,42 8.013,43 5.818,44 6.759,45 6.91,46 6.145,47 5.919,48 8.153,49 5.933,50 6.861,51 7.017,52 6.199,53 5.989,54 8.305,55 5.989,56 0.955,57 2.469,58 33.345,59 16,60 130.839,61 18.244,62 2.128,63 3.972,64 64.937,65 27.479,66 262.75,67 33.255,68 4.571,69 5.366,70 113.311,71 38.657,72 500.824,73 47.111,74 5.248,75 6.265,76 144.62,77 45.345,78 666.779,79 57.667,80 6.839,81 6.98,82 162.395,83 49.935,84 876.046,85 62.691,86 6.919,87 7.771,88 177.589,89 56.823,90 821.105,91 69.968,92 7.361,93 8.628,94 192.274,95 63.349,96 941.775,97 77.332,98 9.283,99 9.236,100 224.895,101 70.121,102 1145.92,103 86.087,104 762,105 165,106 0.226,107 0.555,108 0.761,109 0.872,110 0.904,111 0.911,112 4.626,113 0.883,114 4.46,115 4.09,116 3.45,118 37.5,119 4,120 3,121 1,123 1,124 1,126 15,127 2,128 1,137 13,138 7,139 10,150 8,154 2,155 2,156 2,158 1,161 1,162 18,165 2,166 8,168 1,169 8,171 16,172 1,174 20,175 1,176 3,178 4,179 15,182 11,183 11,184 27,186 1,187 14,188 2,191 1,192 21,193 1,194 2,195 8,196 5,197 26,199 1,200 11,201 1,202 1,203 11,204 23,206 1,207 16,208 5,209 26,210 3,211 1,212 15,213 2,216 5,217 27,219 1,220 16,221 12,222 27,223 2,225 22,226 3,230 3,231 35,232 1,233 2,234 14,235 8,236 32,238 2,239 27,240 3,242 1,244 11,245 41,247 1,248 23,249 6,250 37,251 1,252 3,253 30,254 1,256 3,258 5,259 33,261 1,262 13,263 11,264 27,267 31,268 1,270 2,272 34213,273 65.432,274 65.432,275 65.432,276 65.432,277 65.432,278 60.564,279 83.666,280 36.663,281 66.592,282 53.935,283 53.935,284 53.935,285 53.935,286 53.935,287 46.069,288 101.744,289 17.147,290 56.094,291 5.72,292 3.184,293 1.596,294 0.745,295 0.499,296 0.442,297 5.328,298 2,302 4087,303 6.633,307 1144.58,313 301.508,314 2.143,315 285.339,318 0.25,320 0.17,321 0.6,322 1,323 0.17,325 0.31,326 231.167,327 1908,328 4.62,329 3.948,330 7.357,331 4.405,332 3.436,333 4.324,334 2.459,335 12.606,336 3.325,337 4.503,338 3.904,339 6.99,340 4.284,341 3.298,342 4.161,343 2.123,344 11.892,345 3.251,346 4.436,347 3.863,348 6.746,349 4.178,350 3.225,351 3.928,352 2.055,353 10.963,354 3.086,355 4.331,356 3.794,357 6.639,358 4.11,359 3.147,360 3.892,361 1.993,362 10.634,363 3.02,364 4.305,365 3.714,366 6.611,367 4.08,368 3.107,369 3.773,370 1.951,371 10.441,372 3.017,373 4.262,374 3.68,375 6.598,376 4.051,377 3.078,378 3.436,379 1.946,380 10.406,381 2.988,382 4.176,383 3.661,384 6.492,385 3.986,386 3.016,387 3.404,388 1.908,389 10.119,390 2.927,391 4.145,392 3.619,393 6.368,394 3.881,395 2.911,396 3.345,397 1.886,398 9.687,399 2.805,400 4.113,401 3.587,402 6.232,403 3.792,404 2.842,405 3.279,406 1.392,407 9.125,408 2.74,409 4.018,410 3.474,411 6.1,412 3.768,413 2.787,414 3.179,415 1.392,416 8.854,417 2.703,418 3.922,419 3.432,420 6.048,421 3.667,422 2.694,423 3.162,424 0.86,425 8.654,426 2.615,427 3.876,428 3.321,429 6.035,430 3.636,431 2.677,432 3.084,433 0.86,434 8.63,435 2.526,436 3.838,437 3.291,438 5.989,439 3.593,440 2.632,441 3.077,442 0.795,443 8.43,444 2.497,445 3.812,446 3.2,447 5.907,448 3.446,449 2.49,450 3.041,451 0.765,452 8.072,453 2.383,454 3.576,455 3.022,456 5.67,457 3.435,458 2.476,459 2.823,460 0.765,461 7.391,462 2.355,463 46.029,464 0.456,465 3.618,466 0.036,467 112,468 1.109,469 45,470 0.446,471 67,472 0.663,473 182.679,474 1.809,475 116.571,476 0.662,477 192.695,478 1.908,479 22.297,480 0.221,481 25.359,482 0.251,483 0.233,484 0.011,485 0.467,490 0.931,491 1.241,492 0.718,493 1.022,494 0.848,495 0.891,496 0.797,497 1.272,498 0.726,499 1.108,500 0.656,501 0.988,502 0.973,503 1.062,504 0.913,505 1.038,506 0.94,507 1.014,508 1.052,509 1.062,510 0.854,511 0.944,512 0.993,513 0.9,514 0.983,515 1.013,516 0.873,517 0.916,518 0.873,519 0.883,520 1.012,521 1.004,522 0.919,523 0.971,524 1.02,525 0.921,526 1.032,527 1.099,528 0.868,529 1.023,530 0.998,531 0.941,532 1.029,533 1.043,534 0.997,535 1.016,536 0.928,537 0.982,538 27,539 2.72,540 15.111,541 10.063,542 9.92,543 6.215,544 5.834,545 5.083,546 3.742,547 3.341,548 236408,549 773173,550 1.988,551 42.6,552 7,553 33,554 2,556 21,557 2,558 8,560 2,561 2.013,562 1.785,563 4.09,564 14.058,570 306.2,571 1.74,572 4.275,573 5.864,574 6.715,575 6.961,576 7.018,577 3.372,578 6.48,579 6.632,580 4.331,581 21873.5,582 12.114,583 639741,588 1312.86,589 1.619,590 6.543,591 0.245,592 0.008,593 0.092,594 0.05,595 0.044,596 0.023,597 0.019,598 0.015,599 0.011,600 0.01,601 0.518,602 0.17,603 0.25,604 1.099,605 700.357,606 -0.168,607 0.055,608 -0.021,609 0.099,610 -0.152,611 0.096,612 0.011,613 -0.072,614 0.046,615 -0.024,616 0.015,617 0.009,618 0.017,619 0.036,620 -0.028,621 -0.021,622 -0.055,623 -0.047,624 -0.069,625 -0.021,626 0.048,627 0.043,628 -0.046,629 0.077,630 0.056,631 0.041,632 0.061,633 0.075,634 0.105,635 0.08,636 0.003,637 0.064,638 0.028,639 0.044,640 -0.033,641 0.051,642 -0.013,643 -0.03,644 0.057,645 -0.001,646 0.004,647 0.032,648 0.035,649 -0.006,650 0.002,651 0.005,652 0.073,653 -0.009,654 3.679,655 9.017,656 0.614,657 166.789,658 1.031,659 1.134,660 -5.691,661 32.393,662 0.645,663 4.71,664 5.112,665 5.407,666 5.694,667 5.979,668 6.17,669 6.394,670 6.624,671 6.845,672 7.079,673 11.646,674 0.636,675 1449.4,676 4.71,677 6.312,678 7.189,679 8.103,680 8.998,681 9.912,682 10.814,683 11.729,684 12.635,685 13.551,686 5.1,687 1,688 1,693 7,701 13,706 17,708 30,721 3,722 3,723 2,724 176,726 38,727 5,728 110,730 185,731 66,732 30,733 17,734 13,737 10,738 75,739 2,743 5,746 15,747 1,749 18,751 38,752 28,753 2,754 8,758 8,761 8,767 75,768 33,769 21,770 35,771 2,773 9,777 0.3,778 24,779 1,780 5,789 7,795 1,797 1,798 6,800 1,804 1,805 1,808 7,809 3,810 3,815 5,816 2,819 101,820 2,826 10,827 4,828 7,829 6,831 18,833 1,838 2,839 13.6,840 6,841 4,842 8,843 3,844 3,846 56.583,847 30.869,848 21.625,849 9.705,850 5.981,851 1.458,852 0.881,853 24.005,854 19.031,855 4.898,856 5.466,857 5.943,858 6.461,859 7.006,860 7.316,861 7.718,862 8.157,863 8.55,864 8.948,865 0.846,866 201,867 39.785,869 19.896,870 0.006,871 8.269,872 68.569,874 58.535,876 2.769,877 279.639,881 635.64,882 264.571,883 191.87,884 78.297,885 693.992,888 264.571,889 1407.93,890 191.87,891 43.697,892 181.462,893 398.021,894 438.735,895 88.517,896 23.542,897 612.097,898 78.297,899 635.64,900 456.441,901 693.992,902 78.297,904 541.471,905 499.061,906 289.1,907 0.719,908 234.774,909 220.947,910 78.297,912 635.64,913 885.862,914 342.868,917 636.359,918 96.963,919 166.888,920 126.075,921 838.084,922 635.64,923 885.862,924 342.868,926 0.603,927 0.359,928 0.191,929 0.108,930 76,931 45,932 0.07,933 13,934 17,935 1.387,936 7.249,937 1700.63,938 0.548,939 52,940 668.479,944 76.735,945 31.596,946 16.701,948 885.862,949 13.576,954 -8.604,956 618.703,957 1864.37,958 133,962 116.81,965 -10.935,967 181.461,968 199.515,969 0.233,970 0.573,971 0.786,972 0.9,973 0.933,974 0.941,975 6.22,976 2.911,977 7.235,978 10.119,979 5.802,980 6.157,981 4.308,982 8.121,983 5.725,984 7.438,985 2.842,986 8.855,987 9.687,988 5.645,989 6.128,990 3.693,991 9.198,992 5.536,993 8.766,994 2.787,995 10.571,996 9.125,997 7.499,998 8.245,999 5.351,1000 12.299,1001 7.359,1002 10.117,1003 2.694,1004 12.341,1005 8.854,1006 8.084,1007 8.939,1008 5.492,1009 14.149,1010 7.909,1011 11.496,1012 2.677,1013 14.145,1014 8.654,1015 9.479,1016 10.633,1017 6.664,1018 16.811,1019 9.278,1020 12.892,1021 2.632,1022 15.973,1023 8.63,1024 10.384,1025 11.658,1026 7.142,1027 18.996,1028 10.147,1029 14.303,1030 2.49,1031 17.819,1032 8.43,1033 11.621,1034 13.196,1035 8.117,1036 21.514,1037 11.358,1038 3.436,1039 2.476,1040 19.68,1041 8.072,1042 12.67,1043 14.395,1044 8.768,1045 23.852,1046 12.375,1047 3.298,1048 12.606,1049 21.553,1050 7.391,1051 13.854,1052 15.867,1053 9.661,1054 26.327,1055 13.532,1056 3.225,1057 11.892,1058 23.436,1059 4.324,1060 14.968,1061 17.162,1062 10.409,1063 28.739,1064 14.616,1065 3.147,1066 10.963,1067 25.328,1068 4.161,1069 16.139,1070 18.606,1071 11.274,1072 31.209,1073 15.759,1074 3.107,1075 10.634,1076 27.228,1077 3.928,1078 17.286,1079 19.957,1080 12.077,1081 33.659,1082 16.877,1083 3.078,1084 10.441,1085 29.134,1086 3.892,1087 18.456,1088 21.39,1089 12.936,1090 36.135,1091 18.02,1092 3.016,1093 10.406,1094 31.048,1095 3.773,1096 19.621,1097 22.775,1098 13.773,1099 38.607,1100 19.156,1101 224296,1102 406137,1103 69.421,1104 113.563,1105 170.392,1106 178.131,1107 179.928,1108 168.619,1109 168.596,1110 200.13,1111 53.401,1112 519.383,1113 161.448,1114 5.62,1115 5.948,1116 6.881,1117 5.505,1118 5.436,1119 7.324,1120 4.108,1121 20.399,1122 5.325,1123 79.69,1124 1.549,1125 1.619,1126 1.636,1127 1.533,1128 1.533,1129 1.819,1130 0.485,1131 4.722,1132 1.468,1133 4.13,1134 4.149,1135 4.118,1136 4.031,1137 7.476,1138 4.039,1139 4.006,1140 4.016,1141 4.013,1142 3.929,1143 7.446,1144 3.936,1145 3.935,1146 3.953,1147 3.998,1148 3.866,1149 7.433,1150 3.865,1151 3.912,1152 3.937,1153 3.897,1154 3.812,1155 7.43,1156 3.815,1157 3.891,1158 3.914,1159 3.829,1160 3.745,1161 7.427,1162 3.758,1163 3.84,1164 3.871,1165 3.792,1166 3.739,1167 7.425,1168 3.745,1169 3.822,1170 3.854,1171 3.775,1172 3.672,1173 7.423,1174 3.678,1175 3.81,1176 3.834,1177 3.725,1178 3.634,1179 7.421,1180 3.652,1181 0.042,1182 0.036,1183 0.067,1184 0.04,1185 0.031,1186 4.62,1187 0.039,1188 3.948,1189 0.022,1190 7.357,1191 0.115,1192 4.405,1193 0.03,1194 3.436,1195 4.324,1196 2.459,1197 12.606,1198 3.325,1199 2.008,1200 1.996,1201 2.073,1202 2.101,1203 1.332,1204 2.09,1205 1.95,1206 1.941,1207 2.024,1208 2.069,1209 1.316,1210 2.052,1211 1.908,1212 1.893,1213 2.015,1214 2.04,1215 1.273,1216 2.028,1217 1.863,1218 1.845,1219 2.008,1220 2.014,1221 1.266,1222 2.009,1223 1.835,1224 1.803,1225 1.984,1226 1.982,1227 1.21,1228 1.982,1229 1.799,1230 1.779,1231 1.946,1232 1.962,1233 1.191,1234 1.96,1235 1.788,1236 1.735,1237 1.906,1238 1.951,1239 1.158,1240 1.941,1241 1.744,1242 1.719,1243 1.887,1244 1.915,1245 1.093,1246 1.903,1247 5.398,1249 6.781,1251 8.338,1253 9.98,1255 11.668,1257 8.102,1258 14.104,1261 12.237,1262 114.079,1263 -2.077,1264 17.232,1265 38.298,1267 -31.796,1269 -1.387,1272 111.914,1273 306.2,1274 752.416,1275 1032.01,1276 1181.8,1277 1225.09,1278 1235.09,1279 566.098,1280 13.05,1281 530.49,1282 530.49,1283 86,1284 14.064,1285 5.285,1286 4.585,1287 169.844,1288 707,1289 806,1290 0.113,1291 676.325,1292 1251.92,1293 1641.99,1294 15414500,1295 1.1,1296 73.539,1297 0.728,1298 0.553,1299 74.539,1300 55.836,1301 47.656,1302 0.433,1303 0.294,1304 31.064,1305 44.658,1306 30.468,1307 24.864,1308 48.234,1309 32.377,1310 46.342,1311 0.281,1312 0.161,1313 47.084,1314 26.529,1315 38.526,1316 0.174,1317 0.083,1318 39.234,1319 18.363,1320 32.068,1321 0.108,1322 0.044,1323 32.674,1324 12.948,1325 26.825,1326 0.068,1327 0.022,1328 27.429,1329 8.833,1330 0.173,1331 311.255,1332 0.12,1333 69.931,1334 0.327,1335 550,1336 1919.16,1337 661.02,1338 1838.32,1339 2394.23,1340 1698,1341 662,1342 1631.74,1343 768.76,1344 1635.34,1345 2436.57,1346 1540,1347 4.921}
{0 CHEMBL264831,1 1.689,2 20.552,3 3.906,4 15.253,5 342.125,6 8.193,7 0.336,8 5.255,9 5.334,10 5.015,11 4.778,12 6.346,13 4.767,14 5.853,15 5.968,16 5.361,17 5.221,18 7.255,19 5.202,20 6.176,21 6.337,22 5.477,23 5.434,24 7.324,25 5.388,26 6.353,27 6.536,28 5.497,29 5.483,30 7.476,31 5.433,32 6.383,33 6.571,34 5.535,35 5.467,36 7.538,37 5.415,38 6.404,39 6.599,40 5.607,41 5.453,42 7.587,43 5.424,44 6.414,45 6.592,46 5.63,47 5.465,48 7.698,49 5.444,50 6.475,51 6.656,52 5.693,53 5.53,54 7.754,55 5.519,56 0.684,57 2.407,58 41.327,59 18.094,60 115.286,61 19.081,62 2.749,63 3.976,64 70.576,65 30.053,66 384.673,67 34.504,68 2.98,69 5.282,70 107.113,71 41.557,72 319.101,73 49.358,74 3.809,75 5.934,76 132.871,77 46.709,78 440.098,79 55.932,80 4.777,81 5.962,82 143.452,83 47.946,84 530.432,85 57.566,86 4.524,87 6.076,88 153.232,89 48.486,90 527.783,91 58.675,92 5.712,93 6.175,94 150.833,95 46.078,96 618.009,97 54.059,98 5.218,99 6.622,100 157.89,101 48.534,102 640.245,103 59.019,104 388,105 163,106 0.22,107 0.522,108 0.686,109 0.781,110 0.805,111 0.817,112 4.576,113 0.992,114 -1.09,115 -1.19,116 -1.27,118 39.1,119 2,120 3,121 3,123 2,124 4,126 10,127 2,128 1,137 21,138 12,139 3,151 3,158 6,161 3,162 40,165 8,166 4,169 12,171 5,174 57,175 6,179 24,182 10,183 2,184 9,187 52,188 6,191 1,192 34,195 2,196 4,197 12,200 34,201 6,203 8,204 33,207 8,209 12,212 15,213 6,216 2,217 30,218 3,220 8,221 5,222 23,225 7,226 6,230 14,231 26,234 7,235 2,236 18,239 8,240 6,244 5,245 33,246 3,248 11,249 6,250 23,251 3,253 16,258 12,259 25,262 15,263 4,264 9,267 13,272 39540,273 63.229,274 63.229,275 63.229,276 63.229,277 63.229,278 57.772,279 77.332,280 35.624,281 64.633,282 52.652,283 52.652,284 52.652,285 52.652,286 52.652,287 43.939,288 105.958,289 16.684,290 54.878,291 5.712,292 3.388,293 2.121,294 1.396,295 1.21,296 1.118,297 5.291,302 4350,303 7.778,306 696.465,307 2605.99,310 2499.79,314 2.913,315 212.436,318 0.25,319 0.17,320 0.33,321 0.7,322 1,323 0.17,325 0.37,326 216.5,327 1973,328 4.825,329 5.165,330 7.414,331 4.414,332 3.458,333 4.681,334 2.925,335 12.901,336 3.35,337 4.825,338 5.165,339 7.147,340 4.377,341 3.403,342 4.681,343 2.925,344 12.231,345 3.35,346 4.825,347 5.165,348 7.147,349 4.377,350 3.403,351 4.681,352 2.925,353 12.231,354 3.35,355 4.602,356 3.734,357 7.147,358 4.377,359 3.403,360 4.248,361 2.186,362 12.231,363 3.297,364 4.602,365 3.695,366 7.012,367 4.182,368 3.242,369 4.248,370 2.186,371 11.591,372 3.063,373 4.602,374 3.681,375 7.012,376 4.18,377 3.241,378 4.248,379 2.186,380 11.591,381 2.975,382 4.458,383 3.671,384 7.012,385 4.18,386 3.241,387 3.458,388 1.392,389 11.591,390 2.975,391 4.232,392 3.565,393 6.791,394 4.176,395 3.225,396 3.294,397 1.392,398 11.15,399 2.975,400 3.985,401 3.553,402 6.277,403 3.929,404 2.967,405 3.294,406 0.68,407 9.526,408 2.851,409 3.754,410 3.549,411 6.113,412 3.624,413 2.671,414 3.294,415 0.68,416 8.817,417 2.539,418 3.736,419 3.475,420 5.959,421 3.553,422 2.596,423 3.248,424 0.68,425 8.272,426 2.478,427 3.736,428 3.31,429 5.878,430 3.467,431 2.518,432 3.028,433 0.532,434 8.072,435 2.372,436 3.736,437 3.068,438 5.718,439 3.341,440 2.399,441 2.894,442 0.532,443 7.431,444 2.26,445 3.695,446 2.808,447 5.718,448 3.263,449 2.303,450 2.805,451 0.4,452 7.431,453 2.26,454 3.661,455 2.641,456 5.718,457 3.261,458 2.261,459 2.785,460 0.4,461 7.431,462 2.26,463 44.833,464 0.467,465 3.338,466 0.035,467 112.75,468 1.174,469 49.5,470 0.516,471 63.25,472 0.659,473 151.487,474 1.578,475 108.767,476 0.644,477 156.642,478 1.632,479 21.606,480 0.225,481 24.002,482 0.25,483 0.156,484 0.067,485 0.368,490 0.76,491 1.245,492 0.798,493 1.237,494 0.797,495 0.943,496 0.696,497 0.98,498 0.816,499 0.926,500 0.48,501 0.94,502 0.875,503 1.053,504 0.921,505 1.012,506 0.705,507 1.031,508 1.134,509 1.009,510 0.949,511 0.946,512 0.89,513 1.031,514 1.086,515 0.975,516 0.931,517 0.907,518 0.951,519 0.981,520 1.078,521 1.035,522 0.857,523 0.94,524 0.882,525 0.895,526 1.204,527 0.983,528 0.986,529 0.869,530 1.131,531 0.913,532 1.127,533 1.038,534 0.899,535 0.945,536 1.063,537 0.942,538 24,539 1.484,540 14.667,541 10.333,542 6.136,543 5.223,544 4.26,545 2.875,546 2.395,547 1.605,548 261087,549 805291,550 2.063,551 43.2,553 45,554 2,556 11,558 13,559 2,561 2.001,562 1.882,563 4.23,564 5.837,570 285.489,571 1.689,572 4.013,573 5.28,574 6.005,575 6.191,576 6.283,577 3.67,578 6.228,579 6.557,580 4.518,581 20602.4,582 11.956,583 652462,588 1250.75,589 1.709,590 6.485,591 0.224,592 0.007,593 0.09,594 0.057,595 0.035,596 0.03,597 0.022,598 0.015,599 0.011,600 0.008,601 0.499,602 0.17,603 0.38,604 0.822,605 673.511,606 -0.03,607 -0.014,608 0.174,609 -0.023,610 -0.163,611 0.07,612 0.22,613 0.134,614 0.012,615 0.08,616 0.279,617 0.025,618 0.001,620 -0.05,621 -0.029,622 0.001,623 -0.04,624 -0.133,625 -0.016,626 -0.079,627 -0.033,628 -0.082,629 -0.061,630 -0.016,631 -0.005,632 -0.004,633 0.016,634 -0.068,635 -0.013,636 -0.004,637 -0.067,638 0.112,639 -0.006,640 0.014,641 0.077,642 -0.003,643 0.019,644 -0.016,645 0.043,646 -0.025,647 0.014,648 -0.009,649 -0.035,650 0.017,651 -0.052,653 -0.004,654 5.596,655 7.65,656 0.594,657 188.839,658 1.024,659 1.124,660 -0.136,661 0.018,662 0.662,663 4.682,664 5.1,665 5.407,666 5.72,667 6.023,668 6.227,669 6.446,670 6.621,671 6.686,672 6.801,673 13.351,674 0.641,675 1384.65,676 4.682,677 6.293,678 7.179,679 8.104,680 9.011,681 9.939,682 10.855,683 11.785,684 12.706,685 13.637,686 3,688 2,693 3,701 21,706 15,708 36,724 169,726 45,727 6,728 107,730 180,731 66,732 36,733 15,734 21,737 12,738 21,743 2,746 12,747 4,749 13,751 39,752 27,753 4,754 9,756 3,758 9,761 3,767 73,768 27,769 11,770 30,771 3,773 5,777 0.5,778 22,780 2,781 1,788 3,789 9,792 6,805 2,807 3,808 6,809 4,810 6,813 3,815 4,819 96,824 3,826 6,827 7,828 5,829 7,831 15,833 1,839 13,840 6,842 9,843 4,844 3,846 51,847 29.867,848 20.181,849 9.644,850 4.807,851 1.408,852 0.939,853 20.023,854 16.575,855 4.905,856 5.525,857 6.014,858 6.571,859 7.139,860 7.514,861 8.015,862 8.376,863 8.619,864 8.876,865 1,866 180,867 38.415,869 19.537,870 0.006,871 8.109,872 67.109,874 59.007,876 2.609,877 250.5,881 729.808,882 327.32,883 90.054,885 530.711,887 4.017,888 323.303,889 1260.52,890 90.054,891 34.443,892 80.005,893 485.097,894 252.373,895 75.879,896 43.83,897 706.266,899 729.808,900 413.357,901 530.711,902 4.017,904 553.242,905 417.94,906 289.338,907 0.719,908 133.677,909 278.961,910 4.017,912 729.808,913 620.765,914 327.32,916 4.017,917 730.527,918 89.14,919 233.444,920 90.054,921 530.711,922 729.808,923 620.765,924 327.32,926 0.605,927 0.354,928 0.189,929 0.108,930 81,931 41,932 0.122,933 22,934 6,935 1.211,936 7.933,937 1469.92,938 0.211,939 57,940 620.156,943 3,944 69.434,945 27.684,946 14.272,948 620.765,949 33.819,954 6.383,956 335.392,957 1677.89,958 134,960 -13.975,962 117.641,965 -3.163,967 172.981,968 189.975,969 0.228,970 0.542,971 0.713,972 0.811,973 0.837,974 0.849,975 6.227,976 3.225,977 7.238,978 11.591,979 5.79,980 6.217,981 4.502,982 8.16,983 5.711,984 7.469,985 2.967,986 8.877,987 11.15,988 5.687,989 6.345,990 2.764,991 9.42,992 5.554,993 8.832,994 2.671,995 10.624,996 9.526,997 7.549,998 8.47,999 6.314,1000 12.49,1001 7.386,1002 10.231,1003 2.596,1004 12.435,1005 8.817,1006 8.222,1007 9.401,1008 4.67,1009 14.522,1010 7.999,1011 11.664,1012 2.518,1013 14.284,1014 8.272,1015 9.636,1016 11.117,1017 8.34,1018 17.19,1019 9.387,1020 13.123,1021 2.399,1022 16.16,1023 8.072,1024 10.626,1025 12.384,1026 6.384,1027 19.511,1028 10.325,1029 14.601,1030 2.303,1031 18.055,1032 7.431,1033 11.894,1034 13.97,1035 10.433,1036 22.059,1037 11.565,1038 3.458,1039 2.261,1040 19.965,1041 7.431,1042 13.013,1043 15.381,1044 8.028,1045 24.49,1046 12.642,1047 3.403,1048 12.901,1049 21.885,1050 7.431,1051 14.235,1052 16.924,1053 12.554,1054 27.004,1055 13.836,1056 3.403,1057 12.231,1058 23.813,1059 4.681,1060 15.406,1061 18.396,1062 9.638,1063 29.478,1064 14.973,1065 3.403,1066 12.231,1067 25.749,1068 4.681,1069 16.616,1070 19.925,1071 14.687,1072 31.983,1073 16.155,1074 3.242,1075 12.231,1076 27.69,1077 4.681,1078 17.809,1079 21.427,1080 11.229,1081 34.476,1082 17.319,1083 3.241,1084 11.591,1085 29.637,1086 4.248,1087 19.017,1088 22.953,1089 16.826,1090 36.981,1091 18.501,1092 3.241,1093 11.591,1094 31.587,1095 4.248,1096 20.22,1097 24.468,1098 12.809,1099 39.483,1100 19.678,1101 239467,1102 421147,1103 69.525,1104 111.858,1105 165.845,1106 175.601,1107 171.928,1108 165.326,1109 165.459,1110 203.563,1111 46.237,1112 519.341,1113 159.041,1114 5.825,1115 7.165,1116 7.092,1117 5.514,1118 5.458,1119 7.681,1120 5.85,1121 20.84,1122 5.35,1123 66.505,1124 1.55,1125 1.641,1126 1.607,1127 1.545,1128 1.546,1129 1.902,1130 0.432,1131 4.854,1132 1.486,1133 4.211,1134 4.215,1135 4.74,1136 4.176,1137 7.771,1138 4.146,1139 4.119,1140 4.118,1141 4.716,1142 4.101,1143 7.758,1144 4.069,1145 4.119,1146 4.118,1147 4.716,1148 4.101,1149 7.758,1150 4.069,1151 3.973,1152 4,1153 4.068,1154 3.868,1155 7.439,1156 3.818,1157 3.895,1158 3.908,1159 4.006,1160 3.865,1161 7.433,1162 3.784,1163 3.895,1164 3.881,1165 4.006,1166 3.865,1167 7.432,1168 3.783,1169 3.894,1170 3.853,1171 3.889,1172 3.802,1173 6.999,1174 3.783,1175 3.871,1176 3.853,1177 3.781,1178 3.695,1179 6.999,1180 3.706,1181 0.045,1182 0.048,1183 0.069,1184 0.041,1185 0.032,1186 4.825,1187 0.044,1188 5.165,1189 0.027,1190 7.414,1191 0.121,1192 4.414,1193 0.031,1194 3.458,1195 4.681,1196 2.925,1197 12.901,1198 3.35,1199 1.963,1200 1.971,1201 2.039,1202 2.08,1203 1.438,1204 2.064,1205 1.963,1206 1.971,1207 2.015,1208 2.024,1209 1.378,1210 2.042,1211 1.963,1212 1.971,1213 2.015,1214 2.012,1215 1.292,1216 2.041,1217 1.888,1218 1.868,1219 2.015,1220 2.011,1221 1.249,1222 2.041,1223 1.885,1224 1.867,1225 2.005,1226 2.011,1227 1.249,1228 2.016,1229 1.884,1230 1.866,1231 1.967,1232 1.988,1233 1.249,1234 1.984,1235 1.873,1236 1.843,1237 1.966,1238 1.96,1239 1.175,1240 1.975,1241 1.817,1242 1.777,1243 1.966,1244 1.958,1245 1.175,1246 1.974,1247 5.371,1249 6.765,1250 3.434,1251 8.343,1252 6.043,1253 10.005,1254 8.333,1255 11.714,1257 6.477,1262 66.282,1263 -1.394,1264 14.452,1265 43.843,1267 -18.216,1269 -1.649,1272 108.305,1273 285.489,1274 678.195,1275 892.379,1276 1014.82,1277 1046.33,1278 1061.84,1279 352.765,1280 11.768,1281 399.77,1282 424.91,1283 69,1284 14.14,1285 5.524,1286 4.807,1287 137.709,1288 725,1289 813,1290 0.082,1291 648.951,1292 1185.11,1293 1575.2,1294 3428220,1296 68.337,1297 0.712,1298 0.569,1299 69.087,1300 54.624,1301 45.608,1302 0.426,1303 0.331,1304 30.868,1305 41.263,1306 29.944,1307 24.45,1308 48.291,1309 35.365,1310 45.248,1311 0.278,1312 0.18,1313 49.409,1314 29.323,1315 37.135,1316 0.167,1317 0.098,1318 39.365,1319 21.681,1320 31.529,1321 0.104,1322 0.052,1323 33.038,1324 15.837,1325 26.679,1326 0.065,1327 0.028,1328 28.073,1329 11.649,1330 0.128,1331 316.787,1332 0.12,1333 69.115,1334 0.228,1335 540,1336 1770.91,1337 711.293,1338 1712.33,1339 2273.87,1340 1574,1341 655,1342 1540.08,1343 844.095,1344 1653.03,1345 2450.23,1346 1547,1347 4.567}
{0 CHEMBL310405,1 1.398,2 5.842,3 3.488,4 12.169,5 71.887,6 7.437,7 0.55,8 3.646,9 3.736,10 3.168,11 3.19,12 4.895,13 3.172,14 4.119,15 4.266,16 3.572,17 3.59,18 5.394,19 3.554,20 4.388,21 4.527,22 3.766,23 3.79,24 5.672,25 3.751,26 4.592,27 4.761,28 3.85,29 3.825,30 5.992,31 3.79,32 4.629,33 4.786,34 3.692,35 3.742,36 6.092,37 3.691,38 4.551,39 4.779,40 3.172,41 3.524,42 5.691,43 3.387,44 4.279,45 4.554,46 2.658,47 3.113,48 5.388,49 2.913,50 4.038,51 4.367,52 1.36,53 2.338,54 5.153,55 2.082,56 0.091,57 0.43,58 7.198,59 3.58,60 18.128,61 4.163,62 0.182,63 0.69,64 12.327,65 5.861,66 42.684,67 7.393,68 0.218,69 0.887,70 16.219,71 7.486,72 46.901,73 9.314,74 0.422,75 1.022,76 21.593,77 8.583,78 84.79,79 10.854,80 0.617,81 1.007,82 23.226,83 8.318,84 114.559,85 10.049,86 0.492,87 0.912,88 23.081,89 7.733,90 97.613,91 10.064,92 0.287,93 0.687,94 18.029,95 5.963,96 50.382,97 8.389,98 0.6,99 0.44,100 17.133,101 3.704,102 113.619,103 5.103,104 54,105 30,106 0.258,107 0.63,108 0.77,109 0.82,110 0.831,111 0.831,112 3.013,113 0.908,114 -4.48,115 -4.41,116 -4.16,118 42.9,119 3,121 1,137 3,138 5,139 2,150 1,158 1,161 1,162 12,163 1,166 1,169 1,171 3,174 16,175 1,179 1,183 1,184 6,185 1,187 14,188 2,192 2,195 1,196 1,197 9,198 1,200 11,201 3,204 3,207 1,208 1,209 9,212 9,213 2,217 2,222 5,225 4,226 3,231 3,236 4,272 342,273 11.966,274 11.966,275 11.966,276 11.966,277 11.966,278 10.409,279 10.988,280 6.69,281 12.025,282 9.783,283 9.783,284 9.783,285 9.783,286 9.783,287 7.386,288 7.603,289 3.078,290 9.911,291 3.732,292 1.721,293 0.965,294 0.693,295 0.636,296 0.636,297 3.653,299 1,300 1,301 1,302 221,303 3.082,307 85.663,311 73.923,314 0.831,315 31.012,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 42,327 111,328 4.782,329 3.697,330 7.122,331 4.365,332 3.377,333 4.726,334 1.437,335 12.306,336 3.335,337 4.024,338 3.344,339 6.388,340 3.704,341 2.707,342 3.537,344 9.482,345 2.69,346 3.937,347 2.714,348 5.96,349 3.524,350 2.542,351 3.42,353 8.09,354 2.493,355 3.437,356 2.612,357 5.07,358 3.055,359 2.079,360 2.778,362 5.841,363 2.022,364 3.197,365 2.256,366 4.853,367 2.85,368 1.851,369 2.319,371 4.871,372 1.832,373 2.772,374 1.701,375 4.318,376 2.437,377 1.439,378 1.837,380 3.682,381 1.429,382 2.406,383 1.277,384 3.941,385 1.993,386 1.027,387 1.352,389 2.593,390 0.982,391 1.535,392 0.773,393 3.159,394 1.168,395 0.226,396 0.278,398 0.537,399 0.209,400 1.343,401 0.416,402 3.019,403 0.992,404 0.026,405 0.032,407 0.073,408 0.025,409 0.835,410 0.241,411 2.363,412 0.524,413 -0.449,414 -0.536,416 -1.089,417 -0.432,418 0.526,419 -0.115,420 2,421 0.1,422 -0.888,423 -1,425 -2,426 -0.875,427 0.416,428 -0.781,429 2,431 -1,432 -1.217,434 -2,435 -0.969,436 0.006,437 -0.889,438 1.678,439 -0.011,440 -1,441 -1.357,443 -2.705,444 -1,446 -1,447 1.662,448 -0.268,449 -1.258,450 -1.546,452 -3.248,453 -1.187,454 -0.161,455 -1.083,456 1.429,457 -0.461,458 -1.347,459 -1.674,461 -3.657,462 -1.258,463 8.833,464 0.465,465 0.745,466 0.039,467 23.5,468 1.237,469 12.5,470 0.658,471 11,472 0.579,473 15.665,474 0.824,475 21.167,476 0.605,477 17.735,478 0.933,479 4.551,480 0.24,481 4.29,482 0.226,483 0.321,485 0.509,490 0.906,491 0.937,492 0.861,493 0.928,494 0.908,495 0.891,496 0.423,497 0.893,498 0.589,499 0.885,500 0.421,501 0.795,502 0.609,503 1.145,504 0.794,505 1.135,506 0.659,507 1.03,508 0.778,509 1.129,510 0.81,511 1.109,512 0.747,513 0.992,514 1.304,515 1.219,516 1.26,517 1.218,518 1.239,519 1.227,520 1.264,521 1.077,522 1.298,523 1.095,524 1.255,525 1.186,526 0.872,527 1.211,528 1.106,529 1.222,530 0.86,531 1.22,532 2.062,533 0.146,534 1.292,535 0.165,536 2.192,537 0.48,538 4.5,540 2.667,541 2.438,542 2.2,543 1.014,544 0.566,548 2302,549 7276,550 1.877,551 45.7,552 10,553 3,556 3,561 1.617,562 1.652,563 2.584,564 1.096,566 1,567 1,568 1,570 48.922,571 1.398,572 3.408,573 4.164,574 4.436,575 4.493,576 4.493,577 1.899,578 3.932,579 4.221,580 2.668,581 456.305,582 7.258,583 4413.04,584 1,585 1,586 1,587 1,588 179.525,589 1.462,590 4.102,591 0.225,593 0.089,594 0.07,595 0.061,596 0.036,597 0.038,601 0.519,602 0.5,603 1,604 1.096,605 78.66,606 -0.137,607 0.183,608 -0.043,609 0.175,610 -0.169,611 0.104,612 0.172,613 0.185,614 0.25,615 0.196,616 0.183,617 0.234,618 0.1,619 -0.08,620 0.061,621 -0.074,622 0.047,623 -0.026,624 0.15,625 -0.123,626 0.126,627 -0.108,628 0.161,629 -0.016,630 -0.058,631 -0.239,632 -0.274,633 -0.258,634 -0.019,635 -0.307,636 -0.202,637 -0.149,638 -0.288,639 -0.166,640 -0.21,641 -0.233,642 -0.023,643 -0.32,644 -0.09,645 -0.309,646 0.001,647 -0.232,648 -0.43,649 0.621,650 -0.038,651 0.606,652 -0.453,653 0.417,654 2.919,655 4.283,656 0.526,657 10.842,658 1.011,659 1.119,660 3.253,661 10.583,662 0.655,663 3.045,664 3.434,665 3.738,666 4.06,667 4.29,668 4.357,669 4.382,670 4.078,671 3.829,672 3.584,673 3.91,674 0.631,675 260.31,676 3.045,677 4.615,678 5.493,679 6.418,680 7.324,681 8.254,682 9.17,683 10.098,684 11.018,685 11.945,700 2,701 3,706 5,708 11,716 1,721 2,724 35,726 12,727 2,728 20,730 36,731 15,732 10,733 7,734 3,735 1,737 2,738 3,743 3,751 11,752 4,753 1,754 1,758 1,761 1,763 1,764 1,767 16,768 4,769 3,770 4,777 0.5,778 4,789 2,793 1,808 1,810 1,815 3,819 19,826 3,831 1,839 11.4,841 3,842 1,846 11.5,847 7.1,848 4.139,849 2.074,850 2.479,851 1.391,852 0.874,853 3.415,854 8.812,855 3.314,856 4.016,857 4.684,858 5.373,859 6.001,860 6.373,861 6.735,862 6.902,863 7.095,864 6.982,865 0.75,866 35,867 7.081,869 3.128,870 0.006,871 8.219,872 12.908,874 10.576,876 2.719,877 51.667,881 153.024,882 70.517,885 153.195,888 70.517,889 306.219,891 26.476,893 28.429,894 154.105,895 14.703,897 153.024,899 153.024,900 70.517,901 153.195,904 153.024,905 153.195,908 26.476,909 44.041,912 153.024,913 153.195,914 70.517,917 153.024,918 15.613,919 54.904,921 153.195,922 153.024,923 153.195,924 70.517,926 0.603,927 0.364,928 0.211,929 0.119,930 15,931 9,932 0.056,933 2,934 1,935 1.2,936 2.786,937 145.859,938 0.2,939 10,940 78.711,944 13.686,945 4.741,946 2.145,947 1.111,948 153.195,949 5.283,954 0.381,956 128.05,957 376.736,958 26.5,962 11.283,965 -1.253,967 35.378,968 39.159,969 0.273,970 0.664,971 0.812,972 0.865,973 0.876,974 0.876,975 4.582,976 0.226,977 5.549,978 2.593,979 4.111,980 4.7,981 1.635,982 6.469,983 4.083,984 5.861,985 0.026,986 7.191,987 0.537,988 4.007,989 4.844,991 7.615,992 3.958,993 7.225,994 -0.449,995 8.933,996 0.073,997 5.808,998 7.065,999 2.253,1000 10.775,1001 5.76,1002 8.626,1003 -0.888,1004 10.73,1005 -1.089,1006 6.447,1007 7.972,1009 12.71,1010 6.375,1011 10.057,1012 -1,1013 12.563,1014 -2,1015 7.83,1016 9.764,1017 2.922,1018 15.435,1019 7.759,1020 11.51,1021 -1,1022 14.419,1023 -2,1024 8.79,1025 11.018,1027 17.697,1028 8.698,1029 12.983,1030 -1.258,1031 16.294,1032 -2.705,1033 10.038,1034 12.654,1035 3.619,1036 20.275,1037 9.942,1038 3.377,1039 -1.347,1040 18.183,1041 -3.248,1042 11.137,1043 14.071,1045 22.676,1046 11.024,1047 2.707,1048 12.306,1049 20.083,1050 -3.657,1051 12.347,1052 15.648,1053 4.33,1054 25.204,1055 12.225,1056 2.542,1057 9.482,1058 21.992,1059 4.726,1060 13.507,1061 17.139,1063 27.665,1064 13.37,1065 2.079,1066 8.09,1067 23.909,1068 3.537,1069 14.709,1070 18.697,1071 5.047,1072 30.177,1073 14.562,1074 1.851,1075 5.841,1076 25.831,1077 3.42,1078 15.897,1079 20.222,1081 32.664,1082 15.736,1083 1.439,1084 4.871,1085 27.759,1086 2.778,1087 17.101,1088 21.774,1089 5.769,1090 35.172,1091 16.928,1092 1.027,1093 3.682,1094 29.691,1095 2.319,1096 18.302,1097 23.314,1099 37.671,1100 18.116,1101 2501,1102 4543,1103 11.967,1104 22.909,1105 31.014,1106 31.875,1107 33.66,1108 30.536,1109 30.549,1110 40.559,1111 2.873,1112 94.95,1113 30.032,1114 5.423,1115 5.697,1116 6.405,1117 5.365,1118 5.377,1119 7.726,1120 2.873,1121 20.306,1122 5.335,1123 13.086,1124 1.551,1125 1.594,1126 1.683,1127 1.527,1128 1.527,1129 2.028,1130 0.144,1131 4.747,1132 1.502,1133 4.124,1134 4.134,1135 4.095,1136 4.081,1137 7.475,1138 4.083,1139 3.639,1140 3.688,1141 3.543,1142 3.542,1143 6.527,1144 3.534,1145 3.54,1146 3.564,1147 3.445,1148 3.395,1149 6.401,1150 3.399,1151 3.206,1152 3.203,1153 3.113,1154 2.963,1155 6.35,1156 2.983,1157 3.075,1158 3.145,1159 2.9,1160 2.877,1161 4.78,1162 2.878,1163 2.874,1164 3.009,1165 2.745,1166 2.666,1167 4.229,1168 2.69,1169 2.866,1170 2.903,1171 2.499,1172 2.618,1173 3.976,1174 2.57,1175 2.584,1176 2.607,1177 2.425,1178 2.259,1179 3.712,1180 2.27,1181 0.239,1182 0.185,1183 0.356,1184 0.218,1185 0.169,1186 4.782,1187 0.236,1188 3.697,1189 0.072,1190 7.122,1191 0.615,1192 4.365,1193 0.167,1194 3.377,1195 4.726,1196 1.437,1197 12.306,1198 3.335,1199 2.094,1200 2.084,1201 2.159,1202 2.151,1203 1.381,1204 2.152,1205 1.652,1206 1.605,1207 1.892,1208 1.798,1209 1.069,1210 1.833,1211 1.496,1212 1.467,1213 1.674,1214 1.679,1215 0.788,1216 1.67,1217 1.087,1218 1.057,1219 1.417,1220 1.375,1221 0.469,1222 1.338,1223 1.042,1224 0.993,1225 1.366,1226 1.312,1227 0.41,1228 1.308,1229 0.934,1230 0.804,1231 1.216,1232 1.239,1233 0.278,1234 1.304,1235 0.794,1236 0.769,1237 1.01,1238 1.055,1240 1.056,1241 0.449,1242 0.396,1243 0.757,1244 0.89,1246 0.832,1247 3.714,1249 5.081,1251 6.658,1253 8.345,1255 10.095,1257 5.668,1262 29.223,1267 -0.03,1272 22.074,1273 48.922,1274 119.286,1275 145.75,1276 155.26,1277 157.26,1278 157.26,1279 51.808,1280 6.333,1281 77.76,1282 77.76,1283 12,1284 12.45,1285 3.7,1286 2.907,1287 33.093,1288 46,1289 39,1290 0.4,1291 138.289,1292 240.86,1293 329.186,1294 3348,1296 14.317,1297 0.754,1298 0.582,1299 14.317,1300 11.059,1301 8.841,1302 0.442,1303 0.303,1304 5.997,1305 8.573,1306 5.721,1307 4.823,1308 8.841,1309 6.056,1310 8.607,1311 0.287,1312 0.166,1313 8.607,1314 4.995,1315 6.789,1316 0.166,1317 0.079,1318 6.789,1319 3.242,1320 6.053,1321 0.106,1322 0.042,1323 6.053,1324 2.401,1325 4.698,1326 0.065,1327 0.023,1328 4.698,1329 1.623,1330 0.572,1331 55.356,1332 0.289,1333 17.957,1334 1.296,1335 100,1336 314.185,1337 108.636,1338 304.273,1339 402.15,1340 278,1341 121,1342 287.727,1343 129.084,1344 294.306,1345 433.45,1346 275,1347 5.277}
{0 CHEMBL311591,1 1.349,2 10.556,3 6.975,4 48.653,5 142.517,6 7.373,7 0.564,8 4.269,9 4.363,10 3.798,11 3.857,12 5.483,13 3.826,14 4.775,15 4.928,16 4.218,17 4.29,18 5.863,19 4.245,20 5.065,21 5.198,22 4.496,23 4.547,24 6.318,25 4.502,26 5.327,27 5.489,28 4.59,29 4.668,30 6.611,31 4.611,32 5.438,33 5.607,34 4.517,35 4.695,36 6.712,37 4.612,38 5.443,39 5.663,40 4.324,41 4.635,42 6.493,43 4.509,44 5.352,45 5.589,46 4.232,47 4.51,48 6.432,49 4.38,50 5.293,51 5.536,52 4.139,53 4.333,54 6.466,55 4.238,56 0.092,57 0.804,58 13.425,59 6.772,60 23.856,61 8.097,62 0.127,63 1.336,64 23.814,65 11.436,66 39.234,67 14.531,68 0.287,69 1.771,70 31.395,71 15.071,72 69.473,73 18.911,74 0.503,75 2.225,76 43.673,77 18.868,78 122.536,79 23.719,80 0.802,81 2.431,82 50.595,83 20.518,84 175.197,85 25.419,86 0.603,87 2.465,88 52.905,89 21.204,90 137.488,91 27.806,92 0.396,93 2.257,94 48.566,95 19.552,96 95.54,97 26.318,98 0.822,99 2.009,100 49.13,101 17.059,102 180.031,103 22.018,104 161,105 60,106 0.212,107 0.536,108 0.659,109 0.678,110 0.687,111 0.687,112 3.617,113 0.915,114 -5.19,115 -5.08,116 -4.75,118 45.5,119 6,121 2,137 4,138 12,139 4,147 2,162 25,166 2,171 4,174 36,179 2,183 2,184 10,187 38,192 4,195 2,197 14,200 38,204 6,207 2,209 12,212 37,217 6,222 8,225 26,231 10,236 8,239 18,245 6,250 10,253 18,259 4,264 10,267 17,272 2112,273 23.345,274 23.345,275 23.345,276 23.345,277 23.345,278 20.475,279 18.711,280 12.774,281 23.414,282 18.95,283 18.95,284 18.95,285 18.95,286 18.95,287 14.325,288 12.102,289 5.705,290 19.125,291 4.696,292 2.636,293 1.857,294 1.735,295 1.675,296 1.675,297 4.297,301 1,302 796,303 4,307 357.839,311 304.491,314 1.605,315 56.552,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 78,327 380,328 4.806,329 3.542,330 7.088,331 4.386,332 3.395,333 4.769,335 12.195,336 3.367,337 4.758,338 3.521,339 7.068,340 4.336,341 3.348,342 4.708,344 12.112,345 3.308,346 4.354,347 3.136,348 6.626,349 4.003,350 3.011,351 3.971,353 10.517,354 2.985,355 3.942,356 2.985,357 6.214,358 3.589,359 2.591,360 3.501,362 8.932,363 2.584,364 3.895,365 2.985,366 6.203,367 3.582,368 2.586,369 3.335,371 8.887,372 2.575,373 3.894,374 2.714,375 5.993,376 3.515,377 2.536,378 3.327,380 8.23,381 2.48,382 3.671,383 2.548,384 5.886,385 3.237,386 2.268,387 3.119,389 7.746,390 2.189,391 3.436,392 2.516,393 5.455,394 3.047,395 2.065,396 2.778,398 6.476,399 2.019,400 2.988,401 2.356,402 4.765,403 2.732,404 1.736,405 2.123,407 4.752,408 1.725,409 2.827,410 2.244,411 4.686,412 2.632,413 1.633,414 1.859,416 4.309,417 1.627,418 2.784,419 1.822,420 4.47,421 2.463,422 1.461,423 1.792,425 3.919,426 1.46,427 2.685,428 1.699,429 4.258,430 2.204,431 1.194,432 1.706,434 3.435,435 1.201,436 2.317,437 1.602,438 3.691,439 1.84,440 0.8,441 1.077,443 1.636,444 0.816,445 2.26,446 1.277,447 3.572,448 1.775,449 0.767,450 1.016,452 1.589,453 0.756,454 1.743,455 0.934,456 3.572,457 1.425,458 0.48,459 0.577,461 1.288,462 0.449,463 17,464 0.472,465 1.321,466 0.037,467 46,468 1.278,469 25,470 0.694,471 21,472 0.583,473 39.543,474 1.098,475 38.8,476 0.588,477 43.722,478 1.215,479 8.691,480 0.241,481 8.245,482 0.229,483 0.294,485 0.529,490 0.839,491 0.921,492 0.846,493 0.916,494 0.821,495 0.888,496 0.555,497 0.808,498 0.622,499 0.799,500 0.565,501 0.736,502 0.545,503 1.07,504 0.766,505 1.061,506 0.554,507 0.973,508 0.833,509 1.102,510 0.91,511 1.092,512 0.777,513 1.028,514 1.145,515 1.134,516 1.195,517 1.142,518 1.091,519 1.172,520 0.913,521 1.061,522 1.095,523 1.075,524 0.908,525 1.112,526 0.707,527 1.113,528 0.95,529 1.116,530 0.729,531 1.085,532 1.354,533 0.751,534 0.975,535 0.744,536 1.472,537 0.78,538 8,539 0.446,540 5.778,541 4.625,542 4.462,543 2.486,544 1.616,545 0.76,546 0.665,547 0.425,548 15555,549 44191,550 1.944,551 45.5,552 20,553 4,555 2,556 4,561 1.78,562 1.714,563 3.379,564 1.412,570 89.007,571 1.349,572 3.409,573 4.188,574 4.309,575 4.37,576 4.37,577 2.711,578 3.948,579 5.146,580 3.564,581 2245.48,582 9.078,583 33443.6,588 398.93,589 1.459,590 5.034,591 0.205,592 0.012,593 0.096,594 0.061,595 0.056,596 0.035,597 0.028,598 0.015,599 0.014,600 0.01,601 0.532,603 0.88,604 1.024,605 190.958,606 -0.104,607 0.159,608 -0.015,609 0.151,610 -0.116,611 0.096,612 0.019,613 0.242,614 0.236,615 0.255,616 0.017,617 0.281,618 0.144,619 -0.018,620 0.095,621 -0.012,622 0.103,623 0.024,624 0.06,625 -0.082,626 0.016,627 -0.077,628 0.085,629 -0.046,630 -0.076,631 -0.13,632 -0.234,633 -0.147,634 -0.052,635 -0.208,636 -0.086,637 -0.077,638 -0.13,639 -0.083,640 -0.094,641 -0.11,642 0.016,643 -0.137,644 0.014,645 -0.126,646 0.024,647 -0.068,648 -0.149,649 0.2,650 0.086,651 0.207,652 -0.149,653 0.194,654 2.114,655 4.942,656 0.556,657 32.519,658 1.003,659 1.113,660 3.956,661 15.653,662 0.669,663 3.689,664 4.111,665 4.489,666 4.828,667 5.124,668 5.323,669 5.505,670 5.609,671 5.733,672 5.878,673 6.655,674 0.639,675 486.6,676 3.689,677 5.293,678 6.205,679 7.144,680 8.075,681 9.018,682 9.954,683 10.898,684 11.836,685 12.779,700 4,701 4,706 12,708 22,709 2,721 4,724 66,726 24,727 4,728 39,730 69,731 30,732 20,733 16,734 4,735 2,737 4,738 6,743 6,751 22,752 8,753 2,754 2,758 2,759 2,767 30,768 6,769 4,770 6,777 0.5,778 6,789 4,793 2,810 2,815 6,819 36,826 4,831 2,839 9.1,841 4,842 2,846 21,847 13.8,848 7.889,849 4.082,850 4.775,851 1.561,852 0.918,853 6.588,854 13.289,855 3.97,856 4.7,857 5.44,858 6.152,859 6.834,860 7.343,861 7.866,862 8.331,863 8.824,864 9.281,865 0.857,866 76,867 13.472,869 6.043,870 0.006,871 8.037,872 25,874 21.163,876 2.537,877 91.333,881 306.049,882 149.481,885 221.023,888 149.481,889 527.072,891 52.951,893 37.905,894 267.414,895 35.776,897 282.506,899 306.049,900 149.481,901 221.023,904 306.049,905 221.023,908 52.951,909 73.681,910 22.848,912 306.049,913 221.023,914 149.481,917 306.049,918 35.776,919 113.705,921 221.023,922 306.049,923 221.023,924 149.481,926 0.604,927 0.389,928 0.223,929 0.123,930 30,931 18,932 0.072,933 5,934 2,935 1.2,936 4.052,937 381.073,938 0.2,939 20,940 146.117,944 25.683,945 9.235,946 3.872,947 2.382,948 221.023,949 7.421,954 2.943,956 170.733,957 676.553,958 52,962 23.884,963 1.072,967 66.218,968 73.484,969 0.223,970 0.564,971 0.693,972 0.713,973 0.723,974 0.723,975 5.265,976 2.065,977 6.263,978 7.746,979 4.796,980 5.389,982 7.213,983 4.776,984 6.551,985 1.736,986 7.923,987 6.476,988 4.691,989 5.545,991 8.371,992 4.646,993 7.924,994 1.633,995 9.679,996 4.752,997 6.535,998 7.796,1000 11.539,1001 6.498,1002 9.336,1003 1.461,1004 11.485,1005 4.309,1006 7.186,1007 8.723,1009 13.452,1010 7.124,1011 10.778,1012 1.194,1013 13.323,1014 3.919,1015 8.581,1016 10.518,1018 16.171,1019 8.524,1020 12.242,1021 0.8,1022 15.181,1023 3.435,1024 9.547,1025 11.783,1027 18.403,1028 9.471,1029 13.722,1030 0.767,1031 17.054,1032 1.636,1033 10.798,1034 13.417,1036 20.969,1037 10.72,1038 3.395,1039 0.48,1040 18.938,1041 1.589,1042 11.897,1043 14.837,1045 23.342,1046 11.806,1047 3.348,1048 12.195,1049 20.832,1050 1.288,1051 13.105,1052 16.413,1054 25.854,1055 13.008,1056 3.011,1057 12.112,1058 22.733,1059 4.769,1060 14.262,1061 17.905,1063 28.291,1064 14.153,1065 2.591,1066 10.517,1067 24.64,1068 4.708,1069 15.461,1070 19.461,1072 30.786,1073 15.343,1074 2.586,1075 8.932,1076 26.553,1077 3.971,1078 16.643,1079 20.986,1081 33.252,1082 16.516,1083 2.536,1084 8.887,1085 28.471,1086 3.501,1087 17.843,1088 22.537,1090 35.743,1091 17.706,1092 2.268,1093 8.23,1094 30.392,1095 3.335,1096 19.039,1097 24.077,1099 38.223,1100 18.892,1101 15423,1102 26120,1103 23.934,1104 44.148,1105 61.274,1106 64.476,1107 67.147,1108 60.101,1109 60.056,1110 79.716,1112 192.804,1113 59.38,1114 5.48,1115 5.542,1116 6.592,1117 5.386,1118 5.395,1119 7.769,1121 20.195,1122 5.367,1123 27.448,1124 1.571,1125 1.653,1126 1.722,1127 1.541,1128 1.54,1129 2.044,1131 4.944,1132 1.523,1133 4.189,1134 4.2,1135 4.162,1136 4.155,1137 7.455,1138 4.155,1139 4.062,1140 4.07,1141 4.037,1142 4.021,1143 7.451,1144 4.024,1145 3.711,1146 3.743,1147 3.647,1148 3.633,1149 6.532,1150 3.631,1151 3.572,1152 3.634,1153 3.43,1154 3.46,1155 6.522,1156 3.444,1157 3.536,1158 3.575,1159 3.416,1160 3.405,1161 6.401,1162 3.4,1163 3.488,1164 3.517,1165 3.407,1166 3.365,1167 6.401,1168 3.369,1169 3.17,1170 3.192,1171 3.059,1172 2.99,1173 4.845,1174 2.991,1175 3.15,1176 3.164,1177 3.048,1178 2.924,1179 4.663,1180 2.944,1181 0.123,1182 0.091,1183 0.182,1184 0.112,1185 0.087,1186 4.806,1187 0.122,1188 3.542,1190 7.088,1191 0.313,1192 4.386,1193 0.086,1194 3.395,1195 4.769,1197 12.195,1198 3.367,1199 2.147,1200 2.138,1201 2.201,1202 2.191,1203 1.433,1204 2.194,1205 2.051,1206 2.043,1207 2.113,1208 2.109,1209 1.356,1210 2.109,1211 1.707,1212 1.676,1213 1.911,1214 1.831,1215 1.121,1216 1.858,1217 1.596,1218 1.538,1219 1.853,1220 1.757,1221 1.031,1222 1.793,1223 1.517,1224 1.478,1225 1.695,1226 1.687,1227 0.821,1228 1.688,1229 1.461,1230 1.43,1231 1.668,1232 1.628,1233 0.765,1234 1.639,1235 1.118,1236 1.075,1237 1.417,1238 1.341,1239 0.475,1240 1.353,1241 1.051,1242 1.022,1243 1.417,1244 1.327,1245 0.469,1246 1.308,1247 4.369,1249 5.765,1251 7.372,1253 9.084,1255 10.853,1257 11.449,1262 42.392,1267 -0.209,1272 42.191,1273 89.007,1274 224.982,1275 276.401,1276 284.401,1277 288.401,1278 288.401,1279 120.913,1280 8.514,1281 115.06,1282 115.06,1283 24,1284 13.273,1285 4.644,1286 3.807,1287 61.806,1288 146,1289 116,1290 0.214,1291 257.816,1292 455.58,1293 620.831,1294 56657,1296 26.635,1297 0.74,1298 0.59,1299 26.635,1300 21.224,1301 16.937,1302 0.434,1303 0.305,1304 11.796,1305 16.519,1306 11.228,1307 9.431,1308 16.937,1309 11.889,1310 16.104,1311 0.268,1312 0.167,1313 16.104,1314 10.02,1315 14.283,1316 0.162,1317 0.08,1318 14.283,1319 7.039,1320 12.656,1321 0.102,1322 0.043,1323 12.656,1324 5.316,1325 10.167,1326 0.061,1327 0.023,1328 10.167,1329 3.765,1330 0.326,1331 105.345,1332 0.204,1333 31.798,1334 0.619,1335 198,1336 562.07,1337 209.293,1338 548.327,1339 740.92,1340 506,1341 247,1342 537.576,1343 259.181,1344 555.005,1345 822.65,1346 520,1347 5.921}
{0 CHEMBL335464,1 1.839,2 11.654,3 0.55,4 0.303,5 99.753,6 9.011,7 0.345,8 3.869,9 3.981,10 3.643,11 3.402,12 5.083,13 3.4,14 4.364,15 4.519,16 4.011,17 3.768,18 5.544,19 3.756,20 4.493,21 4.658,22 3.97,23 3.811,24 5.682,25 3.788,26 4.568,27 4.762,28 3.963,29 3.799,30 5.86,31 3.744,32 4.435,33 4.634,34 3.776,35 3.674,36 5.592,37 3.584,38 4.218,39 4.403,40 3.618,41 3.481,42 5.389,43 3.432,44 4.215,45 4.437,46 3.511,47 3.403,48 5.244,49 3.345,50 3.99,51 4.173,52 3.413,53 3.317,54 5.124,55 3.249,56 0.154,57 0.715,58 6.205,59 3.464,60 9.454,61 3.731,62 0.384,63 1.087,64 14.846,65 5.769,66 24.092,67 6.464,68 0.405,69 1.131,70 18.189,71 6.817,72 26.6,73 7.555,74 0.662,75 1.155,76 20.341,77 7.328,78 58.207,79 8.51,80 0.495,81 1.026,82 24.048,83 7.838,84 42.664,85 8.661,86 0.427,87 0.843,88 15.298,89 5.055,90 33.353,91 5.445,92 0.438,93 0.799,94 17.189,95 5.016,96 30.97,97 6.039,98 0.288,99 0.675,100 10.183,101 4.16,102 24.693,103 4.921,104 11,105 41,106 0.32,107 0.744,108 0.84,109 0.848,110 0.848,111 0.848,112 3.304,113 0.912,114 -3.44,115 -3.42,116 -3.27,118 39,119 2,121 1,124 1,132 2,133 1,134 2,135 1,141 1,143 1,145 1,150 2,152 1,157 1,160 2,162 2,165 4,166 12,169 1,174 2,178 1,179 4,184 1,187 1,191 9,192 3,200 4,203 3,204 3,207 3,212 2,216 1,217 7,230 2,231 4,236 2,239 2,244 2,253 4,258 2,259 4,262 1,267 1,272 932,273 17.654,274 17.654,275 17.654,276 17.654,277 17.654,278 15.63,279 23.229,280 10.302,281 18.235,282 14.3,283 14.3,284 14.3,285 14.3,286 14.3,287 11.081,288 28.517,289 4.88,290 15.26,291 3.518,292 1.077,293 0.525,294 0.476,295 0.476,296 0.476,297 4,300 1,301 1,302 665,303 3,306 144.53,307 135.517,311 115.281,314 1.988,315 25.986,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 57.5,327 303,328 4.494,329 3.783,330 6.743,331 4.146,332 3.182,333 3.972,334 1.257,335 10.92,336 3.068,337 4.185,338 3.12,339 6.099,340 3.787,341 2.855,342 3.776,343 1.151,344 8.856,345 2.676,346 4.099,347 3.006,348 5.999,349 3.673,350 2.722,351 3.545,352 0.78,353 8.559,354 2.581,355 3.696,356 2.744,357 5.384,358 3.29,359 2.362,360 3.024,361 0.219,362 6.943,363 2.187,364 3.428,365 2.624,366 5.182,367 3.095,368 2.166,369 2.607,371 6.292,372 1.978,373 3.326,374 2.389,375 4.963,376 2.837,377 1.878,378 2.477,380 5.435,381 1.782,382 3.154,383 1.91,384 4.486,385 2.64,386 1.686,387 2.256,389 4.407,390 1.604,391 2.664,392 1.56,393 3.713,394 2.147,395 1.204,396 1.527,398 2.817,399 1.124,400 2.43,401 1.394,402 3.626,403 2.019,404 1.025,405 1.398,407 2.434,408 1.009,409 2.377,410 0.999,411 3.328,412 1.856,413 0.893,414 1.246,416 2.092,417 0.857,418 2.118,419 0.924,420 3.254,421 1.591,422 0.668,423 0.942,425 1.624,426 0.6,427 2.098,428 0.662,429 3.148,430 1.472,431 0.618,432 0.927,434 1.372,435 0.527,436 1.773,437 0.618,438 3,439 1.408,440 0.535,441 0.627,443 1.32,444 0.461,445 1.599,446 0.57,447 2.746,448 0.963,449 -0.043,450 -0.059,452 -0.107,453 -0.042,454 0.919,455 0.018,456 2.524,457 0.621,458 -0.325,459 -0.414,461 -0.838,462 -0.304,463 12.3,464 0.473,465 0.644,466 0.025,467 33,468 1.269,469 15.5,470 0.596,471 17.5,472 0.673,473 21.023,474 0.809,475 27.3,476 0.666,477 23.138,478 0.89,479 6.483,480 0.249,481 6.131,482 0.236,483 0.108,485 0.358,490 0.701,491 1.152,492 0.655,493 0.951,494 0.587,495 0.868,496 0.866,497 1.023,498 0.792,499 0.922,500 0.657,501 0.801,502 1.074,503 1.183,504 0.96,505 1.149,506 0.943,507 1.038,508 0.926,509 0.794,510 0.949,511 0.926,512 1.179,513 0.999,514 0.867,515 1.016,516 1.412,517 1.381,518 1.005,519 1.12,520 1.229,521 1.106,522 1.186,523 1.055,524 0.817,525 1.01,526 1.225,527 0.839,528 0.966,529 0.85,530 0.769,531 0.844,532 0.856,533 1.045,534 0.88,535 0.96,536 1.091,537 1.063,538 5,539 0.144,540 3.111,541 1.562,542 1.713,543 0.636,544 0.372,545 0.339,546 0.207,547 0.156,548 8929,549 27696,550 2.124,551 36.6,552 6,553 4,554 3,556 1,557 1,561 1.684,562 2,563 3.505,564 -0.18,566 1,570 75.405,571 1.839,572 4.281,573 4.833,574 4.882,575 4.882,576 4.882,577 2.988,578 4.104,579 4.668,580 3.692,581 1199.78,582 8.058,583 15277.4,585 1,588 219.66,589 1.37,590 4.637,591 0.172,592 0.009,593 0.076,594 0.04,595 0.048,596 0.021,597 0.014,598 0.015,599 0.01,600 0.008,601 0.413,602 0.33,603 1,604 0.721,605 128.978,606 0.055,608 0.07,609 -0.014,610 -0.016,611 -0.014,612 0.06,613 0.045,614 0.107,615 0.064,616 0.053,617 0.114,618 -0.088,619 -0.187,620 -0.058,621 -0.168,622 -0.01,623 -0.086,624 0.188,625 0.166,626 0.009,627 0.035,628 0.126,629 -0.038,630 0.135,631 -0.046,632 -0.127,633 -0.169,634 0.108,635 -0.063,636 -0.137,637 -0.109,638 -0.148,639 -0.031,640 0.011,641 -0.058,642 -0.14,643 0.069,644 0.07,645 0.142,646 -0.079,647 0.177,648 0.052,649 -0.076,650 0.006,651 0.003,652 -0.063,653 -0.082,654 1.94,655 5.536,656 0.769,657 26.769,658 1.024,659 1.134,660 2.214,661 4.904,662 0.699,663 3.401,664 3.738,665 4.025,666 4.277,667 4.431,668 4.543,669 4.635,670 4.787,671 4.913,672 4.927,673 6.886,674 0.68,675 369.45,676 3.401,677 4.949,678 5.808,679 6.688,680 7.563,681 8.446,682 9.326,683 10.212,684 11.094,685 11.982,686 17.1,693 1,694 1,695 1,696 4,701 1,702 4,703 1,705 1,706 3,708 10,724 41,726 15,728 29,730 44,731 16,732 4,735 8,737 4,738 5,743 2,751 12,752 4,753 1,754 5,758 1,759 4,760 1,761 4,763 1,764 1,767 15,768 8,769 1,770 10,771 1,773 7,775 1,777 0.75,778 2,788 2,789 2,793 1,799 1,802 3,803 1,809 1,810 3,813 1,815 2,819 26,827 1,829 1,831 1,832 1,835 1,839 4.9,842 1,843 1,846 13,847 8.2,848 5.639,849 2.415,850 3,851 1.399,852 0.988,853 4.576,854 10.523,855 3.689,856 4.256,857 4.83,858 5.362,859 5.659,860 6.018,861 6.339,862 6.754,863 7.147,864 7.395,865 0.875,866 39,867 9.555,869 4.088,870 0.006,871 7.821,872 17.932,874 14.508,876 2.321,877 60.333,881 164.795,882 119.693,883 103.102,885 36.145,887 31.278,888 88.415,889 200.94,890 103.102,891 17.65,892 25.812,893 26.602,894 116.002,895 41.596,896 35.313,897 160.76,899 164.795,900 191.517,901 36.145,902 31.278,904 167.123,905 25.145,906 11,908 62.379,909 35.962,910 90.848,911 31.278,912 164.795,913 139.247,914 119.693,917 164.795,918 57.346,919 65.471,920 16.54,921 119.582,922 164.795,923 139.247,924 119.693,926 0.587,927 0.347,928 0.184,929 0.091,930 21,931 9,932 0.114,933 5,934 1,935 1.1,936 3.902,937 218.43,938 0.1,939 20,940 120.211,941 1,944 16.947,945 7.021,946 3.44,948 122.707,949 2.046,950 15.62,951 2.342,953 1.574,954 2.183,956 16.54,957 423.735,958 39,962 12.536,963 6.471,964 4.289,965 1.089,967 41.978,968 46.488,969 0.343,970 0.799,971 0.902,972 0.911,973 0.911,974 0.911,975 4.938,976 1.204,977 5.796,978 4.407,979 4.419,980 4.942,981 2.076,982 6.611,983 4.299,984 6.146,985 1.025,986 7.359,987 2.817,988 4.007,989 4.62,990 0.325,991 7.516,992 3.862,993 7.45,994 0.893,995 9.022,996 2.434,997 6.019,998 7.06,999 2.255,1000 10.612,1001 5.793,1002 8.789,1003 0.668,1004 10.744,1005 2.092,1006 6.447,1007 7.599,1008 0.766,1009 12.347,1010 6.198,1011 10.159,1012 0.618,1013 12.503,1014 1.624,1015 7.903,1016 9.432,1017 2.505,1018 14.96,1019 7.589,1020 11.551,1021 0.535,1022 14.288,1023 1.372,1024 8.703,1025 10.373,1026 1.259,1027 17.04,1028 8.365,1029 12.959,1030 -0.043,1031 16.092,1032 1.32,1033 9.95,1034 11.946,1035 2.796,1036 19.496,1037 9.56,1038 3.182,1039 -0.325,1040 17.91,1041 -0.107,1042 10.923,1043 13.09,1044 1.765,1045 21.732,1046 10.507,1047 2.855,1048 10.92,1049 19.74,1050 -0.838,1051 12.09,1052 14.544,1053 3.114,1054 24.134,1055 11.631,1056 2.722,1057 8.856,1058 21.579,1059 3.972,1060 13.145,1061 15.792,1062 2.27,1063 26.444,1064 12.657,1065 2.362,1066 8.559,1067 23.426,1068 3.776,1069 14.284,1070 17.191,1071 3.454,1072 28.829,1073 13.758,1074 2.166,1075 6.943,1076 25.281,1077 3.545,1078 15.38,1079 18.491,1080 2.771,1081 31.176,1082 14.823,1083 1.878,1084 6.292,1085 27.141,1086 3.024,1087 16.512,1088 19.866,1089 3.81,1090 33.558,1091 15.92,1092 1.686,1093 5.435,1094 29.006,1095 2.607,1096 17.628,1097 21.194,1098 3.266,1099 35.924,1100 17.005,1101 8406,1102 15058,1103 19.592,1104 28.642,1105 45.226,1106 44.9,1107 44.33,1108 43.489,1109 43.589,1110 56.647,1111 6.813,1112 126.144,1113 40.912,1114 5.396,1115 5.724,1116 6.339,1117 5.268,1118 5.182,1119 6.813,1120 2.408,1121 18.343,1122 5.013,1123 11.64,1124 1.56,1125 1.548,1126 1.529,1127 1.5,1128 1.503,1129 1.953,1130 0.235,1131 4.35,1132 1.411,1133 3.991,1134 4.035,1135 4.224,1136 3.889,1137 7.428,1138 3.86,1139 3.886,1140 3.918,1141 3.953,1142 3.796,1143 5.264,1144 3.789,1145 3.753,1146 3.83,1147 3.725,1148 3.522,1149 4.907,1150 3.556,1151 3.489,1152 3.544,1153 3.405,1154 3.363,1155 4.781,1156 3.317,1157 3.381,1158 3.427,1159 3.359,1160 3.114,1161 4.495,1162 3.177,1163 3.088,1164 3.139,1165 3.008,1166 2.9,1167 4.135,1168 2.909,1169 2.976,1170 3.025,1171 2.904,1172 2.778,1173 4.03,1174 2.776,1175 2.874,1176 3.009,1177 2.576,1178 2.618,1179 3.749,1180 2.57,1181 0.155,1182 0.13,1183 0.233,1184 0.143,1185 0.11,1186 4.494,1187 0.137,1188 3.783,1189 0.043,1190 6.743,1191 0.377,1192 4.146,1193 0.106,1194 3.182,1195 3.972,1196 1.257,1197 10.92,1198 3.068,1199 1.859,1200 1.829,1201 1.941,1202 2.029,1203 1.156,1204 1.999,1205 1.712,1206 1.66,1207 1.927,1208 1.866,1209 1.002,1210 1.893,1211 1.549,1212 1.53,1213 1.635,1214 1.715,1215 0.823,1216 1.696,1217 1.401,1218 1.385,1219 1.51,1220 1.614,1221 0.674,1222 1.56,1223 1.119,1224 1.064,1225 1.417,1226 1.526,1227 0.469,1228 1.504,1229 1.085,1230 0.963,1231 1.271,1232 1.261,1233 0.432,1234 1.31,1235 1.004,1236 0.935,1237 1.244,1238 1.239,1239 0.242,1240 1.308,1241 0.934,1242 0.829,1243 1.191,1244 1.23,1246 1.209,1247 4.078,1249 5.407,1250 3.045,1251 6.921,1252 5.209,1253 8.523,1254 7.14,1255 10.178,1257 4.213,1263 0.374,1265 5.788,1267 0.394,1268 1.415,1272 27.874,1273 75.405,1274 175.521,1275 198.15,1276 200.15,1277 200.15,1278 200.15,1279 39.11,1280 7.523,1281 110.95,1282 139.19,1283 22,1284 12.513,1285 4,1286 3.459,1287 38.354,1288 110,1289 98,1290 0.175,1291 175.011,1292 303.45,1293 418.787,1294 19072,1296 18.096,1297 0.696,1298 0.573,1299 18.449,1300 14.896,1301 12.614,1302 0.435,1303 0.304,1304 7.857,1305 11.472,1306 7.572,1307 6.311,1308 13.068,1309 8.819,1310 11.508,1311 0.281,1312 0.167,1313 12.086,1314 6.855,1315 9.884,1316 0.18,1317 0.084,1318 10.543,1319 4.631,1320 8.161,1321 0.115,1322 0.046,1323 8.909,1324 3.244,1325 5.991,1326 0.072,1327 0.025,1328 6.536,1329 2.047,1330 0.28,1331 85.02,1332 0.226,1333 25.477,1334 0.464,1335 140,1336 476.535,1337 181.557,1338 476.33,1339 654.78,1340 446,1341 166,1342 482.94,1343 205.563,1344 495.751,1345 722.64,1346 464,1347 4.178}
{0 CHEMBL337637,1 1.576,2 12.69,3 4.514,4 20.379,5 116.498,6 7.971,7 0.548,8 4.006,9 4.108,10 3.661,11 3.642,12 5.184,13 3.589,14 4.485,15 4.629,16 4.01,17 4.001,18 5.71,19 3.923,20 4.724,21 4.912,22 3.965,23 4.084,24 5.84,25 3.987,26 4.798,27 5.012,28 3.984,29 4.066,30 5.929,31 3.953,32 4.736,33 4.927,34 3.882,35 3.963,36 5.955,37 3.854,38 4.568,39 4.764,40 3.826,41 3.844,42 5.956,43 3.751,44 4.489,45 4.689,46 3.7,47 3.837,48 5.576,49 3.726,50 4.464,51 4.666,52 3.68,53 3.836,54 5.541,55 3.728,56 0.035,57 0.671,58 9.765,59 4.895,60 10.722,61 5.856,62 0.207,63 1.085,64 18.723,65 8.169,66 41.489,67 10.218,68 0.204,69 1.343,70 24.598,71 10,72 42.568,73 12.476,74 0.221,75 1.431,76 29.7,77 11.296,78 47.883,79 13.934,80 0.348,81 1.311,82 31.878,83 11.108,84 70.575,85 12.26,86 0.537,87 1.117,88 24.002,89 8.651,90 99.058,91 10.455,92 0.244,93 1.047,94 21.073,95 8.204,96 44.211,97 10.236,98 0.114,99 1.013,100 20.288,101 8.417,102 27.192,103 10.672,104 30,105 42,106 0.262,107 0.622,108 0.773,109 0.858,110 0.88,111 0.88,112 3.407,113 0.982,114 -4.4,115 -4.33,116 -4.08,118 45.1,119 2,120 1,121 1,132 2,137 8,138 3,139 1,141 1,145 1,150 2,152 1,158 1,161 1,162 15,163 1,166 5,169 2,171 4,174 17,175 2,179 6,184 5,187 12,188 3,192 8,197 7,200 9,201 1,204 7,205 1,209 4,210 1,212 10,216 1,217 4,220 2,221 1,222 1,225 12,231 2,234 1,236 1,239 16,240 2,245 2,250 2,253 16,254 2,258 1,259 4,264 3,267 12,268 2,272 1463,273 19.223,274 19.223,275 19.223,276 19.223,277 19.223,278 16.774,279 17.544,280 11.465,281 19.505,282 15.312,283 15.312,284 15.312,285 15.312,286 15.312,287 11.536,288 19.992,289 5.452,290 15.78,291 4.096,292 1.933,293 1.025,294 0.515,295 0.383,296 0.383,297 4.087,300 1,301 1,302 772,303 4,306 89.924,307 216.084,314 2.205,315 30.257,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 62,327 368,328 4.331,329 3.672,330 6.415,331 3.98,332 2.979,333 3.937,334 1.987,335 9.799,336 2.976,337 4.209,338 3.561,339 5.999,340 3.794,341 2.857,342 3.826,343 1.437,344 8.562,345 2.704,346 4.094,347 3.036,348 5.652,349 3.703,350 2.72,351 3.69,352 0.324,353 7.895,354 2.661,355 3.688,356 2.732,357 5.271,358 3.36,359 2.363,360 2.937,362 6.665,363 2.352,364 3.495,365 2.643,366 5.159,367 3.147,368 2.201,369 2.713,371 6.278,372 2.065,373 3.339,374 2.336,375 4.927,376 2.955,377 1.972,378 2.564,380 5.577,381 1.909,382 3.209,383 2.063,384 4.527,385 2.771,386 1.763,387 2.417,389 4.518,390 1.761,391 2.851,392 1.595,393 3.717,394 2.397,395 1.394,396 1.984,398 3.097,399 1.396,400 2.704,401 1.314,402 3.704,403 2.219,404 1.233,405 1.769,407 2.825,408 1.212,409 2.532,410 1.279,411 3.495,412 2.119,413 1.147,414 1.484,416 2.603,417 1.105,418 2.527,419 1.156,420 3.466,421 2.005,422 1,423 1.475,425 2.304,426 0.994,427 2.157,428 0.715,429 3.254,430 1.503,431 0.667,432 0.943,434 1.621,435 0.534,436 2.094,437 0.671,438 3.094,439 1.446,440 0.512,441 0.816,443 1.243,444 0.482,445 1.306,446 0.517,447 2.904,448 1.037,449 0.054,450 0.064,452 0.144,453 0.053,454 1.176,455 0.457,456 2.319,457 0.751,458 -0.271,459 -0.361,461 -0.653,462 -0.273,463 14.133,464 0.487,465 0.753,466 0.026,467 38.25,468 1.319,469 21,470 0.724,471 17.25,472 0.595,473 23.393,474 0.807,475 30.267,476 0.593,477 28.81,478 0.993,479 7.475,480 0.258,481 6.444,482 0.222,483 0.142,485 0.318,490 0.729,491 1.03,492 0.759,493 0.876,494 0.678,495 0.87,496 0.422,497 1.148,498 0.835,499 1.034,500 0.426,501 0.974,502 0.952,503 1.07,504 0.951,505 0.981,506 0.893,507 1.044,508 0.962,509 1.053,510 0.984,511 1.028,512 0.867,513 0.998,514 1.578,515 1.127,516 1.424,517 1.212,518 1.573,519 1.056,520 0.958,521 0.883,522 1.002,523 0.885,524 0.975,525 0.892,526 0.959,527 0.885,528 0.958,529 0.913,530 1.015,531 0.963,532 0.645,533 1.006,534 0.907,535 1.015,536 0.595,537 0.984,538 6.5,539 0.16,540 2.667,541 1.972,542 1.499,543 0.785,544 0.476,545 0.322,546 0.294,547 0.21,548 11614,549 33534,550 2.013,551 43.1,552 6,553 10,554 1,556 2,557 3,561 1.715,562 1.871,563 3.616,564 0.194,570 80.389,571 1.576,572 3.739,573 4.648,574 5.157,575 5.29,576 5.29,577 3.069,578 4.513,579 4.831,580 3.852,581 1563.85,582 8.389,583 22558.7,585 1,588 289.294,589 1.453,590 4.78,591 0.21,592 0.007,593 0.063,594 0.049,595 0.039,596 0.023,597 0.014,598 0.011,599 0.009,600 0.008,601 0.435,602 0.17,603 1,604 0.871,605 150.915,606 -0.064,607 0.026,608 0.037,609 0.079,610 -0.089,611 0.051,612 0.246,613 -0.112,614 0.073,615 -0.04,616 0.191,617 -0.016,618 -0.108,619 -0.054,620 -0.094,621 -0.065,622 -0.079,623 -0.096,624 -0.041,625 -0.047,626 0.014,627 -0.048,628 0.006,629 -0.019,630 -0.214,631 -0.12,632 -0.209,633 -0.119,634 -0.155,635 -0.087,636 0.269,637 0.136,638 0.016,639 0.09,640 0.28,641 0.055,642 -0.078,643 0.1,644 -0.033,645 0.049,646 -0.12,647 0.014,648 0.013,649 -0.037,650 0.002,651 -0.04,652 0.049,653 0.018,654 2.705,655 5.383,656 0.586,657 31.291,658 1.002,659 1.112,660 3.168,661 10.034,662 0.699,663 3.466,664 3.761,665 3.951,666 4.159,667 4.263,668 4.234,669 4.205,670 4.317,671 4.382,672 4.477,673 7.75,674 0.66,675 406.54,676 3.466,677 4.99,678 5.808,679 6.663,680 7.496,681 8.351,682 9.188,683 10.043,684 10.881,685 11.735,686 3.9,693 1,696 1,701 9,702 1,705 1,706 6,708 17,716 1,724 51,726 20,727 2,728 31,730 53,731 23,732 15,733 4,734 8,735 3,737 3,738 3,743 2,749 1,751 19,752 4,753 1,754 3,758 2,759 2,761 2,764 1,767 22,768 5,769 2,770 6,771 1,773 2,777 1,778 3,788 1,789 2,798 1,802 2,808 1,810 3,813 1,815 2,819 29,826 1,827 1,828 1,831 1,835 1,839 5.9,841 1,842 2,846 15.5,847 9.65,848 6.417,849 2.997,850 3.755,851 1.518,852 0.953,853 6.946,854 11.009,855 3.773,856 4.334,857 4.851,858 5.387,859 5.782,860 5.928,861 6.171,862 6.51,863 6.85,864 7.22,865 1,866 40,867 10.729,869 4.51,870 0.006,871 7.897,872 20.184,874 16.16,876 2.397,877 69.5,879 1,880 1,881 235.422,882 175.488,883 34.796,885 92.973,887 31.278,888 144.211,889 328.395,890 34.796,891 17.65,892 20.545,893 102.412,894 116.303,895 15.07,896 11.771,897 254.929,899 235.422,900 179.007,901 92.973,902 31.278,904 235.422,905 92.973,908 41.882,909 101.387,910 35.738,911 31.278,912 235.422,913 127.769,914 175.488,917 235.422,918 55.427,919 120.062,920 18.011,921 109.759,922 235.422,923 127.769,924 175.488,926 0.578,927 0.324,928 0.17,929 0.088,930 18,931 9,932 0.132,933 7,935 1,936 4.126,937 235.392,939 17,940 138.881,941 1,944 20.942,945 9.618,946 5.848,948 127.769,949 16.075,950 4.579,953 1.601,954 4.245,956 60.694,957 538.68,958 42.5,962 23.674,963 3.916,965 -1.301,967 51.098,968 56.697,969 0.278,970 0.659,971 0.819,972 0.909,973 0.933,974 0.933,975 4.985,976 1.394,977 5.784,978 4.518,979 4.443,980 5.021,981 2.493,982 6.535,983 4.389,984 6.187,985 1.233,986 7.31,987 3.097,988 4.007,989 4.718,990 1.593,991 7.318,992 3.948,993 7.474,994 1.147,995 8.931,996 2.825,997 5.984,998 7.145,999 3.425,1000 10.355,1001 5.885,1002 8.793,1003 1,1004 10.608,1005 2.603,1006 6.33,1007 7.634,1008 3.168,1009 11.949,1010 6.217,1011 10.14,1012 0.667,1013 12.319,1014 2.304,1015 7.786,1016 9.527,1017 4.524,1018 14.486,1019 7.649,1020 11.506,1021 0.512,1022 14.056,1023 1.621,1024 8.494,1025 10.403,1026 4.654,1027 16.435,1028 8.342,1029 12.889,1030 0.054,1031 15.81,1032 1.243,1033 9.731,1034 12.047,1035 5.727,1036 18.79,1037 9.561,1038 2.979,1039 -0.271,1040 17.579,1041 0.144,1042 10.618,1043 13.131,1044 6.091,1045 20.904,1046 10.435,1047 2.857,1048 9.799,1049 19.358,1050 -0.653,1051 11.757,1052 14.645,1053 6.998,1054 23.193,1055 11.56,1056 2.72,1057 8.562,1058 21.147,1059 3.937,1060 12.734,1061 15.843,1062 7.5,1063 25.384,1064 12.525,1065 2.363,1066 7.895,1067 22.943,1068 3.826,1069 13.829,1070 17.287,1071 8.312,1072 27.652,1073 13.61,1074 2.201,1075 6.665,1076 24.746,1077 3.69,1078 14.851,1079 18.55,1080 8.894,1081 29.881,1082 14.623,1083 1.972,1084 6.278,1085 26.555,1086 2.937,1087 15.929,1088 19.954,1089 9.651,1090 32.144,1091 15.693,1092 1.763,1093 5.577,1094 28.368,1095 2.713,1096 16.973,1097 21.254,1098 10.279,1099 34.393,1100 16.731,1101 11354,1102 19468,1103 20.285,1104 35.637,1105 46.813,1106 47.333,1107 47.294,1108 45.594,1109 45.723,1110 61.241,1111 7.495,1112 126.267,1113 44.409,1114 5.205,1115 5.672,1116 6.096,1117 5.057,1118 4.979,1119 6.937,1120 3.497,1121 16.353,1122 4.976,1123 16.308,1124 1.51,1125 1.527,1126 1.526,1127 1.471,1128 1.475,1129 1.976,1130 0.242,1131 4.073,1132 1.433,1133 4.001,1134 4.026,1135 4.229,1136 3.95,1137 7.475,1138 3.93,1139 3.926,1140 3.946,1141 3.922,1142 3.879,1143 7.428,1144 3.865,1145 3.85,1146 3.88,1147 3.841,1148 3.808,1149 6.351,1150 3.773,1151 3.515,1152 3.564,1153 3.428,1154 3.4,1155 4.873,1156 3.375,1157 3.44,1158 3.482,1159 3.384,1160 3.272,1161 4.734,1162 3.279,1163 3.279,1164 3.267,1165 3.224,1166 3.105,1167 4.686,1168 3.069,1169 3.178,1170 3.229,1171 3.134,1172 3.018,1173 4.195,1174 3.059,1175 2.939,1176 3.013,1177 2.802,1178 2.791,1179 4.015,1180 2.787,1181 0.14,1182 0.118,1183 0.207,1184 0.128,1185 0.096,1186 4.331,1187 0.127,1188 3.672,1189 0.064,1190 6.415,1191 0.316,1192 3.98,1193 0.096,1194 2.979,1195 3.937,1196 1.987,1197 9.799,1198 2.976,1199 1.946,1200 1.923,1201 2.048,1202 2.04,1203 1.189,1204 2.042,1205 1.91,1206 1.888,1207 2.014,1208 1.986,1209 1.156,1210 1.996,1211 1.712,1212 1.66,1213 1.939,1214 1.864,1215 1.117,1216 1.892,1217 1.513,1218 1.493,1219 1.623,1220 1.656,1221 0.734,1222 1.653,1223 1.374,1224 1.339,1225 1.552,1226 1.537,1227 0.686,1228 1.554,1229 1.134,1230 1.12,1231 1.417,1232 1.429,1233 0.469,1234 1.359,1235 1.118,1236 1.096,1237 1.274,1238 1.261,1239 0.442,1240 1.311,1241 0.943,1242 0.887,1243 1.249,1244 1.239,1245 0.235,1246 1.308,1247 4.143,1249 5.442,1250 2.398,1251 6.913,1252 4.595,1253 8.461,1254 6.581,1255 10.05,1257 4.229,1262 9.246,1264 2.835,1267 0.401,1272 33.642,1273 80.389,1274 190.711,1275 237.029,1276 263.029,1277 269.784,1278 269.784,1279 63.643,1280 7.253,1281 79.29,1282 107.53,1283 17,1284 12.293,1285 4.392,1286 3.644,1287 52.745,1288 135,1289 125,1290 0.186,1291 213.721,1292 374.52,1293 513.239,1294 15304,1296 20.803,1297 0.717,1298 0.589,1299 21.156,1300 17.071,1301 13.919,1302 0.449,1303 0.327,1304 9.27,1305 13.115,1306 8.879,1307 7.448,1308 14.373,1309 10.147,1310 12.688,1311 0.302,1312 0.186,1313 13.266,1314 7.801,1315 9.664,1316 0.189,1317 0.101,1318 10.322,1319 5.147,1320 7.92,1321 0.126,1322 0.058,1323 8.668,1324 3.662,1325 5.839,1326 0.083,1327 0.033,1328 6.383,1329 2.286,1330 0.302,1331 90.602,1332 0.222,1333 28.161,1334 0.484,1335 146,1336 436.459,1337 179.589,1338 448.605,1339 599.78,1340 416,1341 166,1342 413.773,1343 193.631,1344 437.45,1345 629.75,1346 410,1347 6.553}
{0 CHEMBL35,1 2.041,2 8,3 1.714,4 2.939,5 78.161,6 10.337,7 0.5,8 3.616,9 3.676,10 3.598,11 3.179,12 4.893,13 3.173,14 4.088,15 4.166,16 3.868,17 3.525,18 5.795,19 3.519,20 4.292,21 4.411,22 3.963,23 3.626,24 5.667,25 3.575,26 4.336,27 4.46,28 4.014,29 3.566,30 5.924,31 3.547,32 4.308,33 4.475,34 3.789,35 3.459,36 5.619,37 3.428,38 4.202,39 4.311,40 3.841,41 3.303,42 6.177,43 3.317,44 4.011,45 4.133,46 3.465,47 3.162,48 5.537,49 3.132,50 3.846,51 4.013,52 3.28,53 2.943,54 5.279,55 2.886,56 0.232,57 0.473,58 5.201,59 3.107,60 41.718,61 2.407,62 0.557,63 0.686,64 9.076,65 5.068,66 96.426,67 4.564,68 0.708,69 0.772,70 17.129,71 6.566,72 93.269,73 5.683,74 0.811,75 0.775,76 15.857,77 6.182,78 102.355,79 5.69,80 0.762,81 0.72,82 20.943,83 6.45,84 124.031,85 6.406,86 1.038,87 0.597,88 18.788,89 5.658,90 178.076,91 5.209,92 0.767,93 0.517,94 14.161,95 4.69,96 99.235,97 3.759,98 0.539,99 0.416,100 12.346,101 4.155,102 81.948,103 3.807,104 41,105 32,106 0.38,107 0.765,108 0.849,109 0.895,110 0.895,111 0.895,112 3.103,113 1.032,114 -1.66,115 -1.73,116 -1.76,118 37.5,124 1,137 4,138 1,139 3,145 1,146 1,150 1,154 1,155 1,156 1,158 1,161 1,162 2,163 1,165 1,166 3,168 2,169 3,171 3,174 2,175 1,179 3,182 1,184 4,185 1,187 2,188 1,190 1,192 7,195 1,196 1,197 6,200 1,202 3,204 2,205 2,210 1,212 2,213 1,215 1,216 2,217 2,218 1,219 1,220 5,221 2,222 1,224 2,225 3,226 1,230 1,231 2,234 1,236 1,239 2,240 1,245 1,250 1,253 1,258 2,259 2,261 1,262 1,264 1,270 1,272 555,273 13.248,274 13.248,275 13.248,276 13.248,277 13.248,278 11.404,279 15.59,280 7.642,281 13.569,282 10.84,283 10.84,284 10.84,285 10.84,286 10.84,287 7.979,288 21.309,289 3.612,290 11.42,291 2.959,292 0.886,293 0.438,294 0.188,295 0.188,296 0.188,297 3.75,298 1,299 1,300 1,301 1,302 341,303 3.674,306 64.2,307 74.256,314 1.238,315 41.462,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 48.333,327 168,328 4.855,329 4.693,330 7.248,331 4.309,332 3.395,333 4.723,334 1.437,335 12.227,336 3.09,337 4.306,338 3.604,339 6.406,340 3.898,341 2.921,342 3.928,343 0.657,344 9.757,345 2.827,346 3.916,347 2.927,348 5.394,349 3.527,350 2.531,351 3.476,353 7.008,354 2.519,355 3.642,356 2.759,357 5.357,358 3.147,359 2.221,360 3.004,362 6.587,363 2.014,364 3.216,365 2.422,366 4.891,367 2.801,368 1.849,369 2.393,371 5.28,372 1.72,373 2.718,374 1.643,375 4.039,376 2.266,377 1.276,378 1.738,380 3.177,381 1.26,382 2.656,383 1.41,384 3.557,385 2.182,386 1.21,387 1.711,389 2.777,390 1.13,391 2.118,392 1.01,393 3.249,394 1.618,395 0.618,396 0.927,398 1.385,399 0.618,400 1.836,401 0.618,402 3,403 1.519,404 0.566,405 0.688,407 1.372,408 0.535,409 1.297,410 0.597,411 2.858,412 0.866,413 -0.006,414 -0.008,416 -0.016,417 -0.005,418 1,419 0.414,420 2.622,421 0.333,422 -0.581,423 -0.714,425 -1.606,426 -0.472,427 0.771,428 -0.037,429 2.292,430 0.011,431 -0.963,432 -1.119,434 -2,435 -0.853,436 0.47,437 -0.355,438 2,440 -1,441 -1.262,443 -2.739,444 -0.983,445 0.335,446 -0.862,447 2,449 -1,450 -1.361,452 -3,453 -1,454 0.246,455 -1,456 1.885,457 -0.041,458 -1,459 -1.548,461 -3,462 -1,463 10.014,464 0.477,465 0.799,466 0.038,467 28.25,468 1.345,469 15,470 0.714,471 13.25,472 0.631,473 14.718,474 0.701,475 23.586,476 0.737,477 21.694,478 1.033,479 5.702,480 0.272,481 4.084,482 0.194,483 0.244,484 0.083,485 0.3,490 0.767,491 1.188,492 0.709,493 1.105,494 0.825,495 0.769,496 0.661,497 1.108,498 0.798,499 0.977,500 0.448,501 0.891,502 1.071,503 1.146,504 0.909,505 0.92,506 0.966,507 1.023,508 0.872,509 1.182,510 0.988,511 1.113,512 0.916,513 1.143,514 1.059,515 1.02,516 0.986,517 1.025,518 1.138,519 0.995,520 0.782,521 0.726,522 1.064,523 0.984,524 0.7,525 0.946,526 1.234,527 0.821,528 1.212,529 0.975,530 1.297,531 1.068,532 1.297,533 0.949,534 1.037,535 0.935,536 1.349,537 1.026,538 6,539 0.06,540 2.889,541 1.847,542 1.369,543 1.156,544 0.367,545 0.265,546 0.251,547 0.095,548 3757,549 17476,550 1.904,551 34.4,553 6,554 1,556 4,561 1.636,562 1.714,563 2.971,564 2.062,566 1,568 1,570 65.317,571 2.041,572 4.114,573 4.563,574 4.813,575 4.813,576 4.813,577 2.453,578 3.554,579 4.362,580 3.174,581 666.489,582 7.496,583 7039.19,584 1,585 1,587 1,588 160,589 1.772,590 4.266,591 0.273,592 0.01,593 0.09,594 0.062,595 0.046,596 0.046,597 0.014,598 0.015,599 0.019,600 0.012,601 0.587,602 0.17,603 1,604 1.049,605 93.92,606 -0.096,607 0.04,608 0.094,609 -0.005,610 -0.215,611 0.105,612 0.141,613 0.002,614 -0.048,615 -0.01,616 0.32,617 -0.016,618 -0.204,619 -0.144,620 -0.01,621 0.041,622 -0.148,623 -0.074,624 0.034,625 -0.19,626 -0.014,627 -0.209,628 -0.002,629 -0.215,630 -0.146,631 -0.116,632 0.03,633 -0.09,634 -0.215,635 0.044,636 0.423,637 0.18,638 -0.001,639 -0.032,640 0.523,641 -0.014,642 -0.12,643 0.114,644 -0.235,645 -0.007,646 -0.232,647 -0.129,648 -0.259,649 -0.093,650 0.02,651 0.021,652 -0.258,653 0.018,654 5.023,655 4.349,656 0.524,657 16.027,658 1.052,659 1.124,660 0.434,661 0.189,662 0.706,663 3.135,664 3.497,665 3.664,666 3.871,667 3.951,668 4.094,669 3.97,670 3.912,671 3.829,672 3.714,673 5.082,674 0.696,675 330.77,676 3.135,677 4.691,678 5.517,679 6.409,680 7.259,681 8.153,682 9.012,683 9.909,684 10.772,685 11.67,686 6.3,690 1,691 1,701 5,704 1,706 5,708 11,716 1,718 1,723 1,724 32,726 14,727 1,728 22,730 33,731 12,732 10,733 4,734 2,735 1,737 2,738 2,739 1,751 11,752 1,754 3,756 1,758 3,761 1,763 1,764 1,766 1,767 11,768 7,769 4,770 9,771 2,773 2,777 1,778 5,788 1,789 1,808 1,810 2,813 1,816 1,819 21,820 1,823 1,826 1,827 1,828 1,838 1,839 15.6,841 1,842 3,844 1,846 12.25,847 5.426,848 4.5,849 1.516,850 2.127,851 1.34,852 0.951,853 4.581,854 8.387,855 3.45,856 4.107,857 4.55,858 5.072,859 5.405,860 5.766,861 5.849,862 5.944,863 6.043,864 6.292,865 1,866 30,867 8.051,869 3.825,870 0.006,871 8.525,872 13.746,874 11.081,876 3.025,877 63.528,881 82.398,882 74.91,883 49.302,884 39.149,885 121.649,887 5.807,888 69.103,889 243.195,890 49.302,892 2.106,893 86.743,894 131.062,895 20.501,896 17.22,897 70.627,898 39.149,899 82.398,900 118.405,901 121.649,902 44.956,904 82.398,905 121.649,908 2.106,909 98.288,910 62.967,912 82.398,913 170.951,914 114.059,916 5.807,917 82.398,918 19.458,919 49.644,920 18.011,921 192.089,922 82.398,923 170.951,924 114.059,926 0.599,927 0.326,928 0.166,929 0.079,930 15,931 8,932 0.152,933 5,935 1,936 3.163,937 155.53,939 11,940 90.239,943 1,944 15.849,945 6.07,946 3.766,948 170.951,949 6.99,952 5.105,954 -0.112,956 91.986,957 367.407,958 30.5,960 -4.106,962 33.93,965 -1.307,967 33.658,968 35.984,969 0.408,970 0.823,971 0.913,972 0.963,973 0.963,974 0.963,975 4.698,976 0.618,977 5.58,978 2.777,979 4.174,980 4.792,981 1.79,982 6.447,983 4.07,984 5.977,985 0.566,986 7.194,987 1.385,988 4.111,989 5.027,991 7.714,992 3.899,993 7.352,994 -0.006,995 8.923,996 1.372,997 5.889,998 7.152,999 2.292,1000 10.711,1001 5.663,1002 8.769,1003 -0.581,1004 10.721,1005 -0.016,1006 6.581,1007 8.159,1009 12.746,1010 6.234,1011 10.219,1012 -0.963,1013 12.562,1014 -1.606,1015 7.944,1016 9.863,1017 2.931,1018 15.379,1019 7.566,1020 11.692,1021 -1,1022 14.432,1023 -2,1024 8.934,1025 11.174,1027 17.695,1028 8.436,1029 13.182,1030 -1,1031 16.325,1032 -2.739,1033 10.173,1034 12.752,1035 3.621,1036 20.225,1037 9.618,1038 3.395,1039 -1,1040 18.233,1041 -3,1042 11.285,1043 14.191,1045 22.649,1046 10.616,1047 2.921,1048 12.227,1049 20.154,1050 -3,1051 12.49,1052 15.734,1053 4.33,1054 25.151,1055 11.744,1056 2.531,1057 9.757,1058 22.086,1059 4.723,1060 13.654,1061 17.228,1063 27.617,1064 12.799,1065 2.221,1066 7.008,1067 24.025,1068 3.928,1069 14.854,1070 18.765,1071 5.048,1072 30.113,1073 13.909,1074 1.849,1075 6.587,1076 25.971,1077 3.476,1078 16.042,1079 20.285,1081 32.598,1082 14.991,1083 1.276,1084 5.28,1085 27.922,1086 3.004,1087 17.245,1088 21.823,1089 5.769,1090 35.094,1091 16.097,1092 1.21,1093 3.177,1094 29.878,1095 2.393,1096 18.445,1097 23.357,1099 37.587,1100 17.193,1101 3891,1102 8527,1103 13.523,1104 22.597,1105 33.573,1106 34.958,1107 33.916,1108 33.434,1109 33.175,1110 45.179,1111 4.188,1112 99.14,1113 31.427,1114 5.701,1115 6.693,1116 6.877,1117 5.348,1118 5.395,1119 7.723,1120 2.873,1121 19.688,1122 5.09,1123 13.326,1124 1.526,1125 1.589,1126 1.542,1127 1.52,1128 1.508,1129 2.054,1130 0.19,1131 4.506,1132 1.428,1133 4.082,1134 4.063,1135 4.736,1136 4.068,1137 7.726,1138 3.993,1139 3.897,1140 3.902,1141 3.937,1142 3.744,1143 7.475,1144 3.755,1145 3.687,1146 3.666,1147 3.821,1148 3.586,1149 6.999,1150 3.52,1151 3.266,1152 3.286,1153 3.499,1154 3.023,1155 6.351,1156 3.053,1157 3.155,1158 3.196,1159 3.119,1160 2.962,1161 5.078,1162 2.954,1163 2.706,1164 2.778,1165 2.831,1166 2.518,1167 4.899,1168 2.517,1169 2.576,1170 2.628,1171 2.529,1172 2.368,1173 4.79,1174 2.39,1175 2.427,1176 2.521,1177 2.239,1178 2.147,1179 4.322,1180 2.147,1181 0.221,1182 0.213,1183 0.329,1184 0.196,1185 0.154,1186 4.855,1187 0.215,1188 4.693,1189 0.065,1190 7.248,1191 0.556,1192 4.309,1193 0.14,1194 3.395,1195 4.723,1196 1.437,1197 12.227,1198 3.09,1199 1.963,1200 1.976,1201 1.949,1202 2.035,1203 1.182,1204 2.057,1205 1.59,1206 1.578,1207 1.723,1208 1.772,1209 0.917,1210 1.787,1211 1.461,1212 1.468,1213 1.562,1214 1.629,1215 0.606,1216 1.639,1217 1.347,1218 1.329,1219 1.269,1220 1.586,1221 0.481,1222 1.574,1223 1.069,1224 1.077,1225 1.176,1226 1.369,1227 0.175,1228 1.305,1229 0.833,1230 0.773,1231 1.081,1232 1.161,1233 0.054,1234 1.145,1235 0.634,1236 0.58,1237 0.953,1238 0.917,1240 0.945,1241 0.392,1242 0.336,1243 0.67,1244 0.787,1246 0.792,1247 3.807,1249 5.153,1250 2.398,1251 6.671,1252 4.443,1253 8.275,1254 6.26,1255 9.932,1258 5.836,1261 4.987,1262 9.162,1263 0.221,1264 2.822,1272 22.265,1273 65.317,1274 131.635,1275 146,1276 154,1277 154,1278 154,1279 58.993,1280 6.26,1281 122.63,1282 131.01,1283 11,1284 12.2,1285 3.907,1286 3.248,1287 39.099,1288 63,1289 59,1290 0.312,1291 146.561,1292 253.47,1293 349.369,1294 3332,1295 3.1,1296 15.621,1297 0.744,1298 0.577,1299 16.371,1300 12.11,1301 9.787,1302 0.445,1303 0.344,1304 5.697,1305 8.275,1306 5.447,1307 4.486,1308 10.97,1309 7.571,1310 9.817,1311 0.307,1312 0.189,1313 11.556,1314 6.048,1315 6.882,1316 0.181,1317 0.106,1318 8,1319 4.018,1320 5.639,1321 0.12,1322 0.059,1323 6.939,1324 2.789,1325 3.652,1326 0.072,1327 0.03,1328 4.343,1329 1.541,1330 0.475,1331 74.606,1332 0.272,1333 20.591,1334 0.902,1335 108,1336 443.801,1337 171.752,1338 468.909,1339 597.53,1340 424,1341 124,1342 370.911,1343 193.282,1344 416.289,1345 598.7,1346 386,1347 5.14}
{0 CHEMBL364310,1 1.878,2 12.63,3 3.892,4 15.149,5 95.3,6 8.17,7 0.214,8 4.007,9 4.109,10 3.774,11 3.481,12 5.082,13 3.462,14 4.637,15 4.8,16 4.196,17 3.836,18 6.272,19 3.821,20 4.887,21 5.1,22 4.106,23 3.942,24 6.553,25 3.873,26 4.806,27 5.048,28 3.831,29 3.915,30 5.894,31 3.799,32 4.815,33 5.056,34 3.832,35 3.846,36 6.031,37 3.759,38 4.772,39 5.032,40 3.7,41 3.677,42 6.009,43 3.612,44 4.548,45 4.802,46 3.592,47 3.571,48 5.678,49 3.475,50 4.445,51 4.651,52 3.665,53 3.558,54 5.595,55 3.493,56 0.223,57 0.902,58 12.503,59 5.35,60 46.655,61 5.952,62 1.276,63 1.757,64 26.655,65 8.521,66 216.818,67 10.07,68 1.81,69 1.317,70 32.808,71 9.982,72 285.985,73 13.5,74 0.851,75 1.266,76 32.032,77 10.276,78 109.452,79 13.654,80 0.887,81 1.348,82 32.212,83 9.95,84 121.687,85 13.226,86 1.134,87 1.3,88 31.393,89 8.5,90 156.572,91 11.15,92 0.915,93 1.045,94 26.27,95 7.613,96 120.327,97 9.601,98 0.626,99 0.924,100 24.337,101 6.969,102 106.105,103 8.809,104 53,105 40,106 0.322,107 0.588,108 0.728,109 0.793,110 0.812,111 0.812,112 3.339,113 1.084,114 -3.14,115 -3.14,116 -3.02,118 34,119 1,120 3,121 1,124 4,131 1,137 4,138 1,139 1,150 1,162 7,165 3,166 6,169 1,171 2,174 7,179 4,184 2,187 6,192 8,195 1,197 2,200 5,204 7,209 2,212 2,216 1,217 4,222 2,225 2,230 1,231 4,234 1,239 2,245 6,253 2,258 2,259 3,262 2,267 4,272 1230,273 17.062,274 17.062,275 17.062,276 17.062,277 17.062,278 15.932,279 23.467,280 9.94,281 17.728,282 13.766,283 13.766,284 13.766,285 13.766,286 13.766,287 11.879,288 27.55,289 4.702,290 14.933,291 3.766,292 2.211,293 1.395,294 1.02,295 0.91,296 0.91,297 3.993,300 1,301 1,302 695,303 4.95,306 99.064,307 107.288,314 2.384,315 54.567,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 63.5,327 341,328 4.999,329 5.697,330 8.104,331 4.514,332 3.69,333 4.697,334 6.006,335 14.438,336 3.086,337 4.199,338 3.799,339 6.331,340 3.943,341 2.941,342 3.706,343 1.987,344 9.389,345 2.941,346 3.793,347 3.766,348 5.571,349 3.473,350 2.543,351 3.099,352 1.914,353 7.399,354 2.365,355 3.542,356 2.849,357 5.352,358 3.417,359 2.478,360 2.561,361 0.8,362 6.998,363 2.331,364 3.388,365 2.793,366 5.139,367 3.01,368 2.083,369 2.529,370 0.324,371 6.108,372 1.921,373 3.238,374 2.436,375 4.903,376 2.777,377 1.863,378 2.344,380 5.452,381 1.607,382 2.58,383 1.742,384 3.799,385 2.519,386 1.53,387 1.577,389 3.271,390 1.506,391 2.5,392 1.407,393 3.537,394 2.117,395 1.15,396 1.5,398 2.556,399 1.108,400 2.186,401 1.314,402 3.414,403 2,404 1,405 1.177,407 2.275,408 1,409 1.99,410 1.128,411 3.34,412 1.759,413 0.764,414 0.859,416 1.775,417 0.754,418 1.618,419 1,420 3.138,421 1.591,422 0.618,423 0.618,425 1.372,426 0.6,427 1.366,428 0.744,429 3,430 1.187,431 0.201,432 0.222,434 0.439,435 0.196,436 1.235,437 0.682,438 2.753,439 0.88,440 -0.069,441 -0.083,443 -0.179,444 -0.064,445 1,446 0.51,447 2.559,448 0.305,449 -0.683,450 -0.737,452 -1.568,453 -0.666,454 0.534,455 0.51,456 2.107,457 0.163,458 -0.834,459 -1,461 -2.28,462 -0.7,463 12.324,464 0.456,465 0.987,466 0.037,467 28.25,468 1.046,469 11,470 0.407,471 17.25,472 0.639,473 25.044,474 0.928,475 33.276,476 0.666,477 24.768,478 0.917,479 5.34,480 0.198,481 7.259,482 0.269,483 0.191,484 0.108,485 0.195,489 3,490 0.547,491 1.214,492 0.758,493 1.465,494 0.601,495 1.141,496 0.403,497 0.876,498 0.659,499 1.127,500 0.408,501 1.047,502 0.385,503 0.71,504 0.667,505 0.829,506 0.31,507 0.989,508 0.562,509 0.68,510 0.831,511 0.967,512 0.516,513 1.02,514 0.68,515 0.908,516 0.787,517 1.028,518 0.693,519 1.03,520 1.017,521 0.954,522 0.801,523 0.772,524 0.982,525 0.891,526 0.85,527 0.838,528 0.878,529 0.818,530 0.769,531 0.875,532 0.757,533 0.858,534 1.004,535 1.211,536 0.832,537 1.035,538 7.5,539 0.085,540 4.222,541 1.722,542 1.427,543 0.74,544 0.543,545 0.43,546 0.378,547 0.226,548 9335,549 33653,550 1.896,551 46,552 3,553 12,556 1,557 1,558 4,559 2,561 1.694,562 1.723,563 3.583,564 -0.199,566 1,570 93.909,571 1.878,572 3.432,573 4.248,574 4.623,575 4.734,576 4.734,577 3.024,578 3.884,579 4.723,580 3.84,581 1347.71,582 8.163,583 18684.3,585 1,587 1,588 282.193,589 1.741,590 4.633,591 0.268,592 0.004,593 0.106,594 0.045,595 0.046,596 0.024,597 0.021,598 0.019,599 0.015,600 0.009,601 0.557,602 0.33,603 1,604 1.209,605 138.006,606 0.022,607 -0.134,608 0.188,609 -0.137,610 -0.079,611 -0.017,612 0.436,613 0.157,614 0.239,615 -0.081,616 0.363,617 -0.044,618 0.431,619 0.109,620 0.151,621 0.046,622 0.446,623 -0.01,624 0.007,625 -0.021,626 0.04,627 -0.016,628 0.032,629 0.02,630 -0.006,631 -0.191,632 0.07,633 -0.113,634 0.023,635 -0.006,636 -0.11,637 -0.094,638 0.046,639 0.033,640 -0.083,641 0.063,642 -0.015,643 0.043,644 0.069,645 0.118,646 -0.033,647 0.124,648 -0.052,649 -0.127,650 0.017,651 -0.132,652 -0.073,653 0.004,654 6.742,655 5.184,656 0.407,657 31.802,658 1.035,659 1.155,660 1.913,661 3.661,662 0.629,663 3.367,664 3.714,665 3.85,666 3.85,667 3.912,668 3.892,669 4.007,670 4.111,671 4.043,672 3.807,673 7.707,674 0.611,675 408.49,676 3.367,677 4.92,678 5.733,679 6.594,680 7.432,681 8.289,682 9.136,683 9.992,684 10.844,685 11.702,686 4,689 1,693 1,701 4,706 2,708 6,724 50,726 9,727 1,728 28,730 51,731 17,732 6,733 2,734 4,737 2,738 2,743 1,746 2,749 3,751 7,752 10,753 1,754 3,756 1,758 3,761 1,764 1,765 3,767 23,768 9,769 1,770 10,771 1,773 2,777 1,778 4,785 1,788 1,789 1,798 1,806 1,810 2,813 1,815 1,817 3,819 27,825 1,827 7,828 1,829 1,831 1,832 1,833 1,838 3,839 8,842 3,844 1,846 15.667,847 8.879,848 5.826,849 3.109,850 1.268,851 1.191,852 0.932,853 7.409,854 7.892,855 3.555,856 4.086,857 4.385,858 4.638,859 5.049,860 5.136,861 5.495,862 5.724,863 5.547,864 5.112,865 1,866 38,867 20.15,869 3.767,870 0.006,871 8.537,872 18.448,874 15.154,876 3.037,877 82,879 1,880 1,881 258.964,882 89.765,883 21.135,885 78.003,886 44.88,887 7.75,888 82.015,889 336.968,890 66.015,891 8.825,892 34.037,893 45.655,894 74.163,895 64.979,897 258.964,898 6.125,899 258.964,900 103.15,901 122.884,902 7.75,904 188.338,905 148.63,906 44.88,907 6.125,908 45.987,909 51.039,910 7.75,912 303.845,913 99.138,914 89.765,916 7.75,917 265.089,918 29.16,919 49.855,920 18.011,921 122.884,922 258.964,923 144.019,924 89.765,926 0.599,927 0.336,928 0.134,929 0.062,930 17,931 9,932 0.157,933 8,935 1,936 3.863,937 205.678,939 11,940 113.627,943 1,944 21.841,945 9.159,946 6.288,948 144.019,949 4.928,954 0.082,956 18.011,957 492.748,958 34,960 -5.706,962 34.136,965 -0.201,967 51.731,968 57.756,969 0.333,970 0.608,971 0.753,972 0.819,973 0.839,974 0.839,975 4.832,976 1.15,977 5.802,978 3.271,979 4.394,980 4.771,981 4.269,982 6.673,983 4.247,984 6.064,985 1,986 7.435,987 2.556,988 4.369,989 4.997,990 4.991,991 8.136,992 4.016,993 7.427,994 0.764,995 9.209,996 2.275,997 6.151,998 7.004,999 7.416,1000 11.145,1001 5.795,1002 8.837,1003 0.618,1004 11.075,1005 1.775,1006 6.929,1007 8.038,1008 8.783,1009 13.438,1010 6.338,1011 10.29,1012 0.201,1013 13.004,1014 1.372,1015 8.319,1016 9.69,1017 10.872,1018 16.175,1019 7.675,1020 11.775,1021 -0.069,1022 14.977,1023 0.439,1024 9.411,1025 11.027,1026 12.463,1027 18.73,1028 8.537,1029 13.284,1030 -0.683,1031 16.983,1032 -0.179,1033 10.707,1034 12.592,1035 14.399,1036 21.413,1037 9.722,1038 3.69,1039 -0.834,1040 19.011,1041 -1.568,1042 11.921,1043 14.046,1044 16.093,1045 24.047,1046 10.721,1047 2.941,1048 14.438,1049 21.057,1050 -2.28,1051 13.203,1052 15.59,1053 17.956,1054 26.719,1055 11.852,1056 2.543,1057 9.389,1058 23.115,1059 4.697,1060 14.466,1061 17.093,1062 19.7,1063 29.376,1064 12.911,1065 2.478,1066 7.399,1067 25.183,1068 3.706,1069 15.753,1070 18.633,1071 21.527,1072 32.046,1073 14.025,1074 2.083,1075 6.998,1076 27.257,1077 3.099,1078 17.037,1079 20.158,1080 23.296,1081 34.712,1082 15.111,1083 1.863,1084 6.108,1085 29.335,1086 2.561,1087 18.329,1088 21.699,1089 25.105,1090 37.381,1091 16.221,1092 1.53,1093 5.452,1094 31.417,1095 2.529,1096 19.623,1097 23.234,1098 26.886,1099 40.05,1100 17.32,1101 9411,1102 18582,1103 17.277,1104 31.426,1105 41.696,1106 42.926,1107 42.689,1108 42.077,1109 41.725,1110 49.782,1111 22.062,1112 122.946,1113 38.835,1114 5.981,1115 7.697,1116 7.819,1117 5.575,1118 5.69,1119 7.697,1120 10.217,1121 22.666,1122 5.086,1123 17.837,1124 1.489,1125 1.533,1126 1.525,1127 1.503,1128 1.49,1129 1.778,1130 0.788,1131 4.391,1132 1.387,1133 4.031,1134 4.017,1135 4.738,1136 3.948,1137 8.518,1138 3.908,1139 3.884,1140 3.931,1141 3.874,1142 3.797,1143 7.999,1144 3.708,1145 3.848,1146 3.836,1147 3.73,1148 3.696,1149 7.999,1150 3.692,1151 3.627,1152 3.684,1153 3.528,1154 3.451,1155 7.707,1156 3.453,1157 3.433,1158 3.492,1159 3.271,1160 3.291,1161 7.428,1162 3.276,1163 3.081,1164 3.178,1165 3.079,1166 2.81,1167 6.999,1168 2.82,1169 2.935,1170 2.979,1171 2.886,1172 2.735,1173 4.793,1174 2.715,1175 2.869,1176 2.95,1177 2.687,1178 2.671,1179 4.362,1180 2.635,1181 0.179,1182 0.203,1183 0.289,1184 0.161,1185 0.132,1186 4.999,1187 0.168,1188 5.697,1189 0.214,1190 8.104,1191 0.516,1192 4.514,1193 0.11,1194 3.69,1195 4.697,1196 6.006,1197 14.438,1198 3.086,1199 1.933,1200 1.918,1201 2.041,1202 2.034,1203 1.259,1204 2.042,1205 1.695,1206 1.689,1207 1.924,1208 1.911,1209 1.211,1210 1.92,1211 1.605,1212 1.612,1213 1.86,1214 1.81,1215 1.202,1216 1.821,1217 1.577,1218 1.507,1219 1.727,1220 1.751,1221 0.931,1222 1.793,1223 1.472,1224 1.432,1225 1.626,1226 1.694,1227 0.844,1228 1.693,1229 1.322,1230 1.237,1231 1.304,1232 1.552,1233 0.618,1234 1.584,1235 0.955,1236 0.865,1237 1.181,1238 1.271,1239 0.486,1240 1.289,1241 0.886,1242 0.821,1243 1.127,1244 1.062,1245 0.218,1246 1.107,1247 4.043,1249 5.38,1250 2.398,1251 6.889,1252 4.443,1253 8.473,1254 6.26,1255 10.099,1257 1.665,1259 36.93,1263 6.964,1264 2.836,1265 4.032,1267 -0.523,1268 2.351,1269 -5.492,1272 30.561,1273 93.909,1274 171.624,1275 212.418,1276 231.173,1277 236.683,1278 236.683,1279 88.554,1280 6.624,1281 75.71,1282 84.09,1283 11,1284 12.255,1285 3.322,1286 2.807,1287 58.944,1288 124,1289 115,1290 0.228,1291 191.643,1292 350.36,1293 459.369,1294 6329,1295 6,1296 20.079,1297 0.744,1298 0.584,1299 17.829,1300 15.775,1301 12.599,1302 0.45,1303 0.361,1304 8.635,1305 11.135,1306 8.392,1307 6.92,1308 12.276,1309 10.116,1310 12.39,1311 0.31,1312 0.2,1313 12.199,1314 8.005,1315 9.358,1316 0.203,1317 0.117,1318 7.881,1319 5.391,1320 5.872,1321 0.128,1322 0.071,1323 6.245,1324 3.27,1325 4.082,1326 0.083,1327 0.038,1328 4.116,1329 1.879,1330 0.371,1331 89.268,1332 0.241,1333 26.775,1334 0.587,1335 136,1336 656.114,1337 213.82,1338 556.755,1339 702.72,1340 506,1341 154,1342 445.463,1343 228.046,1344 464.793,1345 699.75,1346 431,1347 3.43}
{0 CHEMBL364714,1 2.127,2 8.053,3 3.024,4 9.146,5 59.978,6 10.251,7 0.316,8 3.504,9 3.566,10 3.49,11 2.991,12 4.821,13 3.014,14 4.072,15 4.159,16 3.956,17 3.275,18 6.132,19 3.345,20 4.269,21 4.38,22 3.871,23 3.368,24 6.407,25 3.404,26 4.155,27 4.318,28 3.495,29 3.359,30 5.567,31 3.304,32 4.224,33 4.433,34 3.456,35 3.201,36 5.748,37 3.192,38 4.027,39 4.242,40 3.203,41 2.756,42 5.641,43 2.845,44 3.493,45 3.66,46 2.977,47 2.385,48 5.135,49 2.442,50 3.192,51 3.225,52 3.042,53 2.352,54 4.82,55 2.443,56 0.308,57 0.608,58 4.957,59 3.298,60 77.187,61 2.465,62 1.078,63 1.256,64 11.539,65 5.357,66 218.766,67 4.356,68 1.529,69 0.758,70 11.694,71 5.453,72 258.67,73 5.243,74 0.852,75 0.766,76 12.976,77 5.731,78 144.185,79 5.866,80 1.082,81 0.814,82 18.45,83 5.663,84 190.887,85 6.334,86 1.157,87 0.709,88 14.681,89 4.012,90 202.497,91 3.537,92 0.73,93 0.456,94 9.852,95 2.791,96 119.646,97 1.756,98 0.333,99 0.361,100 7.861,101 2.198,102 82.557,103 1.214,104 74,105 29,106 0.415,107 0.727,108 0.776,109 0.803,110 0.803,111 0.803,112 3.009,113 1.003,114 -2.53,115 -2.55,116 -2.49,118 34.5,119 1,121 1,131 1,137 4,138 1,139 1,150 1,154 1,155 1,156 1,162 6,165 3,166 3,168 1,169 1,171 1,174 7,176 1,179 4,184 2,187 6,190 2,192 7,197 2,200 2,202 2,204 7,209 2,214 2,217 3,230 1,231 2,233 1,234 1,245 2,258 2,261 2,262 2,272 395,273 11.217,274 11.217,275 11.217,276 11.217,277 11.217,278 10.035,279 12.241,280 6.19,281 11.707,282 9.29,283 9.29,284 9.29,285 9.29,286 9.29,287 7.39,288 12.7,289 2.88,290 10.2,291 2.731,292 1.129,293 0.88,294 0.742,295 0.742,296 0.742,297 3.623,300 1,301 1,302 293,303 4.472,307 70.681,314 1.524,315 49.926,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47,327 153,328 4.999,329 5.697,330 8.104,331 4.514,332 3.69,333 4.697,334 6.006,335 14.438,336 3.086,337 4.185,338 3.798,339 6.284,340 3.92,341 2.917,342 3.703,343 1.969,344 9.193,345 2.921,346 3.763,347 3.724,348 5.567,349 3.396,350 2.46,351 3.063,352 1.914,353 7.378,354 2.309,355 3.36,356 2.778,357 5.071,358 2.938,359 2.027,360 2.486,361 0.219,362 5.975,363 1.836,364 3.201,365 2.43,366 4.778,367 2.726,368 1.768,369 2.329,371 4.94,372 1.588,373 2.5,374 1.407,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 2.025,383 1.129,384 3.404,385 1.734,386 0.725,387 0.864,389 1.635,390 0.724,391 1.236,392 1,393 3.148,394 0.884,395 -0.06,396 -0.073,398 -0.158,399 -0.056,400 1,401 0.51,402 2.727,403 0.163,404 -0.834,405 -1,407 -2,408 -0.7,409 0.535,410 0.51,411 2,412 0.049,413 -1,414 -1,416 -2.28,417 -0.7,418 0.5,419 0.18,420 2,422 -1,423 -1.039,425 -3,426 -0.83,427 0.433,428 -0.007,429 2,431 -1,432 -1.274,434 -3,435 -1,437 -0.247,438 2,439 -0.3,440 -1,441 -1.5,443 -3,444 -1,446 -0.957,447 2,448 -0.3,449 -1,450 -1.656,451 -0.684,452 -3,453 -1.028,454 -0.31,455 -1,456 1.671,457 -0.401,458 -1.397,459 -1.828,460 -0.688,461 -3.795,462 -1.2,463 8.424,464 0.443,465 0.956,466 0.05,467 22.75,468 1.197,469 11,470 0.579,471 11.75,472 0.618,473 13.316,474 0.701,475 23.376,476 0.806,477 19.865,478 1.046,479 4.619,480 0.243,481 3.925,482 0.207,483 0.327,484 0.158,485 0.237,489 3,490 0.613,491 1.002,492 0.741,493 1.409,494 0.739,495 0.978,496 0.365,497 0.784,498 0.486,499 1.151,500 0.483,501 0.957,502 0.43,503 0.672,504 0.632,505 0.737,506 0.426,507 0.989,508 0.622,509 0.736,510 0.996,511 1.138,512 0.583,513 1.296,514 0.75,515 0.873,516 0.83,517 1.002,518 0.76,519 1.036,520 1.432,521 1.149,522 0.961,523 0.72,524 1.355,525 0.86,526 1.697,527 1.237,528 1.491,529 0.827,530 1.504,531 0.719,532 1.408,533 1.439,534 1.998,535 2.208,536 1.494,537 1.223,538 7,540 3.778,541 1.375,542 1.222,543 0.66,544 0.426,545 0.302,546 0.247,547 0.12,548 2665,549 15521,550 1.75,551 34.5,552 3,553 4,556 2,557 1,561 1.6,562 1.541,563 2.993,564 0.6,566 1,567 1,568 1,570 61.688,571 2.127,572 3.729,573 3.978,574 4.116,575 4.116,576 4.116,577 2.46,578 3.432,579 4.22,580 3.182,581 544.197,582 7.171,583 5435.67,585 1,587 1,588 140.881,589 1.847,590 4.063,591 0.368,593 0.13,594 0.047,595 0.058,596 0.033,597 0.03,598 0.03,599 0.022,600 0.01,601 0.73,602 0.5,603 1,604 1.656,605 82.844,606 -0.015,607 -0.025,608 0.182,609 -0.108,610 -0.151,611 0.042,612 0.523,613 0.245,614 0.39,615 -0.084,616 0.367,617 -0.002,618 0.47,619 0.18,620 0.121,621 0.116,622 0.427,623 -0.065,624 -0.021,625 -0.093,626 -0.11,627 -0.169,628 0.001,629 -0.217,630 -0.018,631 -0.234,632 0.139,633 -0.135,634 -0.009,635 0.072,636 -0.365,637 -0.215,638 -0.01,639 0.039,640 -0.312,641 0.125,642 -0.428,643 -0.001,644 -0.216,645 0.295,646 -0.363,647 0.237,648 -0.464,649 -0.446,650 -0.469,651 -0.573,652 -0.423,653 -0.256,654 6.744,655 4.058,656 0.316,657 13.989,658 1.08,659 1.164,660 1.3,661 1.689,662 0.65,663 2.996,664 3.401,665 3.497,666 3.401,667 3.555,668 3.497,669 3.611,670 3.664,671 3.434,672 2.565,673 5.131,674 0.668,675 297.28,676 2.996,677 4.575,678 5.389,679 6.271,680 7.119,681 7.992,682 8.851,683 9.721,684 10.584,685 11.454,686 3.4,693 1,701 4,706 2,708 6,724 29,726 9,727 1,728 19,730 29,731 10,732 6,733 2,734 4,737 1,738 1,743 1,751 7,752 3,753 1,754 3,756 1,758 3,761 1,764 1,765 3,767 10,768 8,769 2,770 9,771 1,773 1,777 1,778 4,789 1,797 1,810 1,813 1,815 1,817 3,819 19,820 1,825 1,829 1,831 1,833 1,838 3,839 13.8,842 3,844 1,846 12.333,847 5.262,848 3.993,849 1.454,850 1.391,851 1.242,852 0.918,853 4.358,854 7.131,855 3.258,856 3.882,857 4.178,858 4.447,859 4.933,860 5.007,861 5.372,862 5.564,863 5.238,864 4.123,865 1,866 29,867 18.552,869 3.767,870 0.006,871 9.237,872 11.893,874 9.47,876 3.737,877 71,881 94.169,882 73.738,883 32.897,885 78.003,886 44.88,887 7.75,888 65.989,889 172.172,890 77.778,891 8.825,892 32.897,893 45.655,894 74.163,895 61.855,897 94.169,898 6.125,899 94.169,900 98.886,901 122.884,902 7.75,904 94.169,905 78.003,906 44.88,907 6.125,908 41.722,909 51.039,910 7.75,912 139.049,913 110.9,914 73.738,916 7.75,917 100.293,918 13.134,919 46.73,921 155.781,922 94.169,923 155.781,924 73.738,926 0.623,927 0.344,928 0.115,929 0.059,930 13,931 8,932 0.138,933 4,935 1,936 2.86,937 127.467,939 6,940 69.956,943 1,944 15.641,945 5.294,946 3.771,948 155.781,949 4.545,954 -0.068,956 32.897,957 323.688,958 25,960 -5.692,962 32.346,965 -0.614,967 31.327,968 33.766,969 0.438,970 0.768,971 0.819,972 0.847,973 0.847,974 0.847,975 4.549,976 -0.06,977 5.533,978 1.635,979 4.078,980 4.564,981 4.251,982 6.469,983 3.917,984 5.856,985 -0.834,986 7.225,987 -0.158,988 4.29,989 4.956,990 4.988,991 8.072,992 3.934,993 7.262,994 -1,995 9.052,996 -2,997 5.938,998 6.915,999 7.415,1000 11.069,1001 5.553,1002 8.709,1003 -1,1004 10.96,1005 -2.28,1006 6.847,1007 8.009,1008 8.783,1009 13.408,1010 6.237,1011 10.191,1012 -1,1013 12.92,1014 -3,1015 8.2,1016 9.657,1017 10.871,1018 16.15,1019 7.515,1020 11.697,1021 -1,1022 14.917,1023 -3,1024 9.352,1025 11.012,1026 12.463,1027 18.718,1028 8.447,1029 13.224,1030 -1,1031 16.939,1032 -3,1033 10.644,1034 12.58,1035 14.399,1036 21.404,1037 9.615,1038 3.69,1039 -1.397,1040 18.98,1041 -3,1042 11.884,1043 14.039,1044 16.093,1045 24.042,1046 10.647,1047 2.917,1048 14.438,1049 21.034,1050 -3.795,1051 13.17,1052 15.585,1053 17.956,1054 26.715,1055 11.775,1056 2.46,1057 9.193,1058 23.099,1059 4.697,1060 14.444,1061 17.09,1062 19.7,1063 29.374,1064 12.85,1065 2.027,1066 7.378,1067 25.171,1068 3.703,1069 15.734,1070 18.631,1071 21.527,1072 32.045,1073 13.965,1074 1.768,1075 5.975,1076 27.248,1077 3.063,1078 17.024,1079 20.157,1080 23.296,1081 34.711,1082 15.059,1083 1,1084 4.94,1085 29.329,1086 2.486,1087 18.319,1088 21.698,1089 25.105,1090 37.381,1091 16.17,1092 0.725,1093 2.275,1094 31.413,1095 2.329,1096 19.615,1097 23.233,1098 26.886,1099 40.049,1100 17.273,1101 2964,1102 7376,1103 10.633,1104 18.852,1105 29.645,1106 30.959,1107 30.697,1108 29.414,1109 29.172,1110 37.285,1111 20.216,1112 91.669,1113 26.926,1114 5.844,1115 7.697,1116 7.519,1117 5.569,1118 5.69,1119 7.697,1120 10.217,1121 22.666,1122 5.086,1123 14.622,1124 1.56,1125 1.629,1126 1.616,1127 1.548,1128 1.535,1129 1.962,1130 1.064,1131 4.825,1132 1.417,1133 4.026,1134 4.004,1135 4.738,1136 3.945,1137 8.518,1138 3.904,1139 3.864,1140 3.832,1141 3.865,1142 3.794,1143 7.999,1144 3.704,1145 3.541,1146 3.582,1147 3.462,1148 3.366,1149 7.999,1150 3.374,1151 3.072,1152 3.175,1153 3.081,1154 2.736,1155 7.707,1156 2.767,1157 2.935,1158 2.949,1159 2.873,1160 2.735,1161 7.436,1162 2.715,1163 2.854,1164 2.925,1165 2.687,1166 2.586,1167 6.999,1168 2.599,1169 2.689,1170 2.731,1171 2.567,1172 2.328,1173 4.891,1174 2.422,1175 2.314,1176 2.413,1177 2.04,1178 1.842,1179 4.781,1180 1.852,1181 0.263,1182 0.3,1183 0.427,1184 0.238,1185 0.194,1186 4.999,1187 0.247,1188 5.697,1189 0.316,1190 8.104,1191 0.76,1192 4.514,1193 0.162,1194 3.69,1195 4.697,1196 6.006,1197 14.438,1198 3.086,1199 1.931,1200 1.917,1201 2.038,1202 2.029,1203 1.207,1204 2.037,1205 1.613,1206 1.683,1207 1.728,1208 1.822,1209 0.846,1210 1.83,1211 1.467,1212 1.437,1213 1.328,1214 1.679,1215 0.618,1216 1.679,1217 0.988,1218 0.891,1219 1.181,1220 1.372,1221 0.218,1222 1.379,1223 0.886,1224 0.821,1225 1.113,1226 1.062,1227 0.207,1228 1.107,1229 0.722,1230 0.674,1231 0.958,1232 1.051,1234 0.976,1235 0.385,1236 0.381,1237 0.675,1238 0.858,1240 0.807,1241 0.207,1242 0.072,1243 0.381,1244 0.648,1246 0.633,1247 3.664,1249 5.043,1251 6.6,1253 8.227,1255 9.886,1257 1.505,1259 36.175,1261 5.05,1265 3.893,1267 -0.645,1269 -5.494,1272 19.378,1273 61.688,1274 108.127,1275 115.372,1276 119.372,1277 119.372,1278 119.372,1279 69.248,1280 5.74,1281 86.46,1282 94.84,1283 6,1284 11.998,1285 3.322,1286 2.807,1287 45.827,1288 59,1289 48,1290 0.404,1291 125.096,1292 230.62,1293 296.993,1294 1597,1295 10.3,1296 14.845,1297 0.781,1298 0.55,1299 12.595,1300 10.456,1301 8.544,1302 0.45,1303 0.334,1304 4.914,1305 7.213,1306 4.723,1307 3.903,1308 8.22,1309 6.352,1310 9.222,1311 0.318,1312 0.18,1313 9.031,1314 5.214,1315 6.516,1316 0.204,1317 0.102,1318 5.038,1319 3.275,1320 3.49,1321 0.12,1322 0.055,1323 3.864,1324 1.609,1325 2.688,1326 0.079,1327 0.03,1328 2.723,1329 1.006,1330 0.626,1331 64.157,1332 0.307,1333 18.969,1334 1.124,1335 96,1336 591.448,1337 171.045,1338 496.401,1339 614.8,1340 446,1341 109,1342 380.505,1343 179.383,1344 400.5,1345 603.26,1346 369,1347 4.28}
{0 CHEMBL371115,1 1.49,2 7.063,3 2.206,4 4.867,5 62.653,6 7.898,7 0.706,8 3.394,9 3.495,10 2.986,11 3.007,12 4.678,13 2.99,14 3.796,15 3.909,16 3.31,17 3.358,18 5.186,19 3.315,20 4.044,21 4.211,22 3.306,23 3.452,24 5.268,25 3.379,26 4.08,27 4.285,28 3.109,29 3.326,30 5.253,31 3.229,32 3.919,33 4.146,34 2.97,35 3.148,36 5.043,37 3.052,38 3.696,39 3.898,40 2.8,41 2.906,42 4.961,43 2.832,44 3.541,45 3.746,46 2.521,47 2.558,48 4.926,49 2.509,50 3.249,51 3.512,52 1.973,53 2.069,54 4.481,55 1.987,56 0.05,57 0.344,58 4.819,59 2.368,60 11.478,61 2.749,62 0.122,63 0.506,64 7.435,65 3.857,66 27.732,67 4.767,68 0.08,69 0.652,70 10.736,71 4.936,72 17.992,73 6.236,74 0.161,75 0.647,76 12.702,77 5.156,78 35.438,79 6.517,80 0.114,81 0.542,82 11.247,83 4.592,84 26.258,85 6.046,86 0.089,87 0.435,88 8.586,89 3.459,90 19.05,91 4.38,92 0.14,93 0.367,94 7.835,95 2.6,96 28.639,97 3.051,98 0.135,99 0.267,100 6.656,101 1.962,102 30.259,103 2.458,104 11,105 23,106 0.29,107 0.532,108 0.653,109 0.811,110 0.855,111 0.855,112 2.853,113 0.857,114 -3.91,115 -3.87,116 -3.67,118 48.1,137 8,138 3,139 1,150 1,154 1,155 1,156 1,158 1,161 1,162 11,163 1,166 1,169 1,171 3,174 14,175 2,176 2,179 2,184 4,187 13,188 2,190 2,192 2,197 3,200 9,201 2,202 1,204 2,209 3,212 6,213 2,214 1,217 2,222 4,225 2,226 2,228 2,231 2,236 4,242 2,250 1,251 1,256 1,257 1,261 1,262 1,263 1,266 1,272 260,273 10.569,274 10.569,275 10.569,276 10.569,277 10.569,278 8.988,279 5.44,280 6.262,281 10.594,282 8.372,283 8.372,284 8.372,285 8.372,286 8.372,287 6.05,288 4.151,289 2.963,290 8.416,291 3.265,292 2.028,293 1.407,294 0.593,295 0.37,296 0.37,297 3.502,300 1,301 1,302 232,303 2.236,307 99.735,314 1.078,315 16.575,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 34.5,327 113,328 4.317,329 3.579,330 6.212,331 3.941,332 2.941,333 3.976,334 1.437,335 9.294,336 2.938,337 4,338 2.87,339 5.841,340 3.62,341 2.621,342 3.534,344 7.923,345 2.609,346 3.645,347 2.424,348 5.04,349 3.252,350 2.269,351 3.019,353 6.069,354 2.227,355 3.101,356 1.992,357 4.361,358 2.624,359 1.625,360 2.318,362 4.165,363 1.613,364 2.628,365 1.364,366 3.7,367 2.135,368 1.136,369 1.666,371 2.769,372 1.131,373 2.529,374 1.105,375 3.435,376 2.005,377 1,378 1.5,380 2.322,381 1,382 2.5,383 1,384 3.414,385 2,386 1,387 1.475,389 2.275,390 0.994,391 1.178,392 0.435,393 2.535,394 0.825,395 -0.15,396 -0.189,398 -0.333,399 -0.146,400 0.771,401 -0.033,402 2,403 0.312,404 -0.692,405 -0.917,407 -1.647,408 -0.681,409 0.602,410 -0.608,411 2,412 0.149,413 -0.849,414 -1.126,416 -2,417 -0.837,418 0.5,419 -0.798,420 1.73,422 -1,423 -1.431,425 -2.395,426 -0.981,427 0.409,428 -1,429 1.499,430 -0.018,431 -1,432 -1.5,434 -3,435 -1,436 -0.053,437 -1.212,438 1.338,439 -0.348,440 -1.316,441 -1.738,443 -3.149,444 -1.275,445 -0.473,446 -1.571,447 1,448 -0.687,449 -1.679,450 -2.15,452 -5.24,453 -1.686,454 -0.5,455 -1.886,456 0.853,457 -0.908,458 -1.906,459 -2.436,461 -5.275,462 -1.906,463 7.567,464 0.473,465 0.421,466 0.026,467 23.25,468 1.453,469 14,470 0.875,471 9.25,472 0.578,473 8.057,474 0.504,475 16.433,476 0.609,477 14.974,478 0.936,479 4.884,480 0.305,481 2.78,482 0.174,483 0.141,485 0.33,490 0.859,491 0.784,492 0.799,493 0.755,494 0.86,495 0.752,496 0.361,497 1.034,498 0.777,499 1.021,500 0.377,501 0.986,502 0.686,503 1.123,504 0.995,505 1.148,506 0.676,507 1.129,508 1,509 0.994,510 1.096,511 1.061,512 1.02,513 1.091,514 0.772,515 0.928,516 0.839,517 0.97,518 0.79,519 0.933,520 1.012,521 1.187,522 0.988,523 1.157,524 0.97,525 1.09,526 1.786,527 1.187,528 1.286,529 1.109,530 1.748,531 1.101,532 1.828,533 0.974,534 1.163,535 0.817,536 1.852,537 0.857,538 3.5,540 2,541 0.75,542 0.604,543 0.597,544 0.262,545 0.137,546 0.111,548 1849,549 6038,550 1.993,551 40.7,553 8,556 3,561 1.551,562 1.846,563 2.875,564 1.189,568 1,570 40.222,571 1.49,572 2.727,573 3.347,574 4.162,575 4.385,576 4.385,577 2.281,578 3.078,579 3.972,580 2.934,581 352.081,582 6.687,583 3009.06,585 1,587 1,588 128.382,589 1.477,590 3.918,591 0.206,593 0.087,594 0.034,595 0.036,596 0.04,597 0.022,598 0.017,599 0.028,601 0.469,602 0.83,603 1,604 0.953,605 64.174,606 -0.146,607 0.272,608 -0.04,609 0.199,610 -0.19,611 0.125,612 0.25,613 -0.05,614 -0.003,615 -0.042,616 0.239,617 -0.064,618 -0.039,619 -0.145,620 -0.138,621 -0.182,622 -0.009,623 -0.177,624 -0.106,625 -0.056,626 -0.131,627 -0.088,628 -0.124,629 -0.108,630 0.024,631 -0.025,632 0.158,633 0.029,634 0.013,635 0.101,636 -0.037,637 -0.26,638 -0.003,639 -0.19,640 0.01,641 -0.112,642 -0.265,643 -0.211,644 -0.205,645 -0.197,646 -0.234,647 -0.189,648 -0.255,649 -0.023,650 0.041,651 0.113,652 -0.287,653 0.125,654 2.586,655 3.819,656 0.75,657 9,658 1.006,659 1.111,660 2.682,661 7.195,662 0.693,663 2.89,664 3.178,665 3.367,666 3.526,667 3.761,668 3.689,669 3.664,670 3.555,671 3.497,672 3.219,673 4.278,674 0.67,675 213.25,676 2.89,677 4.394,678 5.209,679 6.057,680 6.895,681 7.745,682 8.59,683 9.441,684 10.288,685 11.14,686 3.7,690 1,701 8,706 4,708 12,716 1,717 1,724 27,726 13,727 2,728 17,730 28,731 13,732 12,733 4,734 8,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,767 11,768 3,769 3,770 3,773 1,777 1,778 2,789 2,808 1,810 2,819 16,820 1,826 1,839 7.4,841 1,842 1,846 8.667,847 4.617,848 3.556,849 1.411,850 2.39,851 1.409,852 0.959,853 2.816,854 8.234,855 3.219,856 3.807,857 4.35,858 4.879,859 5.455,860 5.596,861 5.942,862 6.157,863 6.442,864 6.553,865 0.8,866 22,867 5.853,869 2.453,870 0.006,871 8.083,872 10.816,874 8.578,876 2.583,877 41.333,878 0.001,881 94.169,882 89.033,883 32.897,885 67.828,888 89.033,889 161.997,890 32.897,893 108.707,894 68.738,895 12.313,897 94.169,899 94.169,900 121.931,901 67.828,904 94.169,905 67.828,909 121.931,912 94.169,913 100.725,914 89.033,917 94.169,918 13.223,919 75.81,921 100.725,922 94.169,923 100.725,924 89.033,926 0.58,927 0.325,928 0.158,929 0.093,930 11,931 5,932 0.071,933 2,935 1,936 2.817,937 103.692,939 12,940 60,944 10.553,945 4.269,946 2.36,948 100.725,949 14.155,954 2.81,956 75.581,957 283.928,958 24,962 10.819,965 -0.919,967 27.174,968 29.993,969 0.313,970 0.574,971 0.704,972 0.875,973 0.922,974 0.922,975 4.407,976 -0.15,977 5.187,978 2.275,979 3.85,980 4.489,981 1.635,982 5.938,983 3.84,984 5.619,985 -0.692,986 6.718,987 -0.333,988 3.434,989 4.205,991 6.749,992 3.407,993 6.911,994 -0.849,995 8.346,996 -1.647,997 5.389,998 6.654,999 2.253,1000 9.765,1001 5.373,1002 8.238,1003 -1,1004 10.03,1005 -2,1006 5.74,1007 7.124,1009 11.371,1010 5.71,1011 9.592,1012 -1,1013 11.749,1014 -2.395,1015 7.198,1016 9.068,1017 2.922,1018 13.894,1019 7.177,1020 10.964,1021 -1.316,1022 13.491,1023 -3,1024 7.902,1025 9.91,1027 15.831,1028 7.873,1029 12.352,1030 -1.679,1031 15.249,1032 -3.149,1033 9.142,1034 11.604,1035 3.619,1036 18.167,1037 9.118,1038 2.941,1039 -1.906,1040 17.019,1041 -5.24,1042 10.021,1043 12.656,1045 20.254,1046 9.993,1047 2.621,1048 9.294,1049 18.797,1050 -5.275,1051 11.161,1052 14.212,1053 4.33,1054 22.516,1055 11.136,1056 2.269,1057 7.923,1058 20.582,1059 3.976,1060 12.129,1061 15.388,1063 24.672,1064 12.102,1065 1.625,1066 6.069,1067 22.373,1068 3.534,1069 13.224,1070 16.865,1071 5.047,1072 26.906,1073 13.199,1074 1.136,1075 4.165,1076 24.167,1077 3.019,1078 14.239,1079 18.118,1081 29.095,1082 14.213,1083 1,1084 2.769,1085 25.965,1086 2.318,1087 15.316,1088 19.549,1089 5.769,1090 31.32,1091 15.29,1092 1,1093 2.322,1094 27.765,1095 1.666,1096 16.355,1097 20.849,1099 33.525,1100 16.329,1101 1921,1102 3534,1103 11.038,1104 18.722,1105 25.674,1106 26.092,1107 26.122,1108 25.235,1109 25.183,1110 34.974,1111 2.873,1112 69.633,1113 25.025,1114 4.97,1115 5.579,1116 5.756,1117 4.941,1118 4.941,1119 6.976,1120 2.873,1121 15.588,1122 4.938,1123 8.078,1124 1.51,1125 1.535,1126 1.537,1127 1.484,1128 1.481,1129 2.057,1130 0.169,1131 4.096,1132 1.472,1133 4.012,1134 4.033,1135 3.962,1136 3.963,1137 7.475,1138 3.959,1139 3.779,1140 3.808,1141 3.717,1142 3.702,1143 6.351,1144 3.701,1145 3.284,1146 3.28,1147 3.236,1148 3.049,1149 5.115,1150 3.087,1151 3.048,1152 3.127,1153 2.927,1154 2.877,1155 4.726,1156 2.881,1157 2.854,1158 2.925,1159 2.687,1160 2.735,1161 4.401,1162 2.715,1163 2.724,1164 2.814,1165 2.545,1166 2.499,1167 3.674,1168 2.502,1169 2.58,1170 2.639,1171 2.416,1172 2.305,1173 3.62,1174 2.336,1175 2.244,1176 2.364,1177 1.965,1178 1.92,1179 3.532,1180 1.913,1181 0.254,1182 0.211,1183 0.365,1184 0.232,1185 0.173,1186 4.317,1187 0.234,1188 3.579,1189 0.085,1190 6.212,1191 0.547,1192 3.941,1193 0.173,1194 2.941,1195 3.976,1196 1.437,1197 9.294,1198 2.938,1199 1.993,1200 1.973,1201 2.083,1202 2.061,1203 1.194,1204 2.069,1205 1.77,1206 1.743,1207 1.89,1208 1.876,1209 0.948,1210 1.881,1211 1.137,1212 1.132,1213 1.282,1214 1.43,1215 0.275,1216 1.368,1217 1.007,1218 0.951,1219 1.235,1220 1.278,1221 0.227,1222 1.275,1223 0.886,1224 0.821,1225 1.181,1226 1.062,1227 0.218,1228 1.107,1229 0.7,1230 0.611,1231 1.038,1232 0.968,1234 1.002,1235 0.498,1236 0.449,1237 0.821,1238 0.827,1240 0.841,1241 0.254,1242 0.114,1243 0.705,1244 0.561,1246 0.617,1247 3.555,1249 4.844,1251 6.333,1253 7.905,1255 9.517,1261 5.589,1262 8.88,1272 18.085,1273 40.222,1274 73.627,1275 90.382,1276 112.382,1277 118.382,1278 118.382,1279 23.706,1280 5.844,1281 63.32,1282 63.32,1283 12,1284 11.697,1285 3.807,1286 3,1287 25.95,1288 40,1289 40,1290 0.329,1291 114.979,1292 197.04,1293 272.309,1294 1991,1296 11.544,1297 0.721,1298 0.534,1299 11.544,1300 8.552,1301 7.665,1302 0.451,1303 0.286,1304 4.82,1305 7.486,1306 4.707,1307 3.935,1308 7.665,1309 4.859,1310 6.951,1311 0.302,1312 0.153,1313 6.951,1314 3.508,1315 5.425,1316 0.194,1317 0.084,1318 5.425,1319 2.354,1320 4.058,1321 0.123,1322 0.046,1323 4.058,1324 1.507,1325 3.41,1326 0.081,1327 0.025,1328 3.41,1329 1.034,1330 0.496,1331 47.432,1332 0.301,1333 16.076,1334 0.951,1335 80,1336 243.197,1337 85.455,1338 241.679,1339 320.48,1340 222,1341 91,1342 227.512,1343 95.155,1344 234.981,1345 336.34,1346 220,1347 3.79}
{0 CHEMBL372867,1 1.364,2 11.333,3 2.516,4 6.328,5 84.787,6 6.114,7 0.286,8 3.902,9 4.037,10 3.257,11 3.367,12 4.905,13 3.309,14 4.467,15 4.674,16 3.508,17 3.722,18 5.388,19 3.622,20 4.72,21 4.959,22 3.562,23 3.868,24 5.68,25 3.731,26 4.779,27 5.052,28 3.485,29 3.855,30 5.673,31 3.697,32 4.702,33 4.963,34 3.407,35 3.773,36 5.678,37 3.611,38 4.643,39 4.937,40 3.211,41 3.639,42 5.477,43 3.453,44 4.444,45 4.721,46 3.117,47 3.468,48 5.271,49 3.312,50 4.33,51 4.57,52 3.137,53 3.412,54 5.392,55 3.281,56 0.052,57 0.619,58 11.723,59 4.812,60 9.051,61 6.68,62 0.24,63 0.94,64 20.497,65 7.502,66 27.386,67 10.717,68 0.424,69 1.131,70 26.239,71 9.19,72 47.291,73 13.38,74 0.276,75 1.151,76 27.217,77 9.39,78 46.252,79 13.961,80 0.356,81 1.07,82 25.489,83 8.571,84 55.181,85 12.812,86 0.298,87 0.951,88 23.623,89 7.865,90 39.954,91 11.849,92 0.212,93 0.774,94 19.434,95 6.572,96 29.337,97 9.669,98 0.302,99 0.719,100 17.82,101 5.91,102 54.432,103 8.609,104 40,105 26,106 0.239,107 0.542,108 0.738,109 0.818,110 0.833,111 0.833,112 3.101,113 1.085,114 -3.42,115 -3.4,116 -3.25,118 35.4,119 3,120 1,121 2,124 4,137 4,138 2,150 1,162 12,166 1,169 1,171 1,174 15,179 2,182 2,184 2,187 13,192 2,197 2,200 10,203 1,204 3,209 2,212 7,217 3,221 1,222 1,225 4,231 3,236 1,239 3,245 3,248 1,250 2,253 2,259 3,264 4,272 665,273 13.82,274 13.82,275 13.82,276 13.82,277 13.82,278 12.99,279 15.559,280 8.703,281 14.061,282 10.316,283 10.316,284 10.316,285 10.316,286 10.316,287 8.994,288 14.553,289 4.118,290 10.67,291 4.221,292 2.495,293 1.376,294 0.922,295 0.839,296 0.839,297 3.739,299 1,300 1,301 1,302 464,303 4.123,307 81.8,314 2,315 20.413,316 1,317 1,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 45.5,327 238,328 4.207,329 3.768,330 6.331,331 3.949,332 2.945,333 3.722,334 1.987,335 9.39,336 2.954,337 3.835,338 2.868,339 5.451,340 3.561,341 2.56,342 3.13,343 0.86,344 7.255,345 2.562,346 3.382,347 2.61,348 5.029,349 3.113,350 2.117,351 2.574,352 0.324,353 5.731,354 2.105,355 2.981,356 2.409,357 4.407,358 2.826,359 1.858,360 2.011,362 4.5,363 1.81,364 2.801,365 1.924,366 3.849,367 2.65,368 1.732,369 1.801,371 3.547,372 1.56,373 2.5,374 1.693,375 3.567,376 2.221,377 1.278,378 1.5,380 2.575,381 1.195,382 2.319,383 1.267,384 3.414,385 2,386 1,387 1.314,389 2.275,390 1,391 2.009,392 1.234,393 3.07,394 1.782,395 0.816,396 0.899,398 1.712,399 0.778,400 1.552,401 1,402 2.578,403 1.312,404 0.395,405 0.432,407 0.684,408 0.357,409 1.131,410 0.469,411 2.357,412 0.918,413 -0.08,414 -0.091,416 -0.191,417 -0.079,418 0.817,419 0.188,420 2,421 0.594,422 -0.32,423 -0.344,425 -0.539,426 -0.286,427 0.5,428 -0.278,429 1.931,430 0.165,431 -0.835,432 -0.978,434 -1.877,435 -0.835,436 0.407,437 -0.723,438 1.554,440 -1,441 -1,443 -2,444 -0.939,445 0.163,446 -0.908,447 1.313,449 -1,450 -1.071,452 -2.043,453 -1,455 -1,456 1.221,457 -0.055,458 -1,459 -1.5,461 -3,462 -1,463 9.9,464 0.471,465 0.459,466 0.022,467 19.5,468 0.929,469 7.5,470 0.357,471 12,472 0.571,473 20.019,474 0.953,475 25.5,476 0.531,477 13.499,478 0.643,479 3.761,480 0.179,481 6.28,482 0.299,483 0.219,485 0.253,490 0.857,491 1.419,492 1.036,493 1.336,494 0.792,495 1.225,496 1.021,497 1.11,498 1.053,499 1.087,500 0.77,501 1.077,502 0.918,503 1.057,504 1.07,505 1.06,506 0.913,507 1.084,508 0.877,509 1.026,510 0.954,511 0.996,512 1.019,513 0.986,514 0.857,515 1.14,516 1.061,517 1.113,518 1.089,519 1.113,520 0.795,521 0.946,522 0.934,523 0.964,524 0.853,525 0.966,526 1.014,527 0.961,528 0.926,529 0.963,530 0.951,531 0.938,532 1.12,533 1.078,534 1.091,535 1.086,536 1.164,537 1.085,538 4,539 0.054,540 2,541 1.25,542 0.902,543 0.521,544 0.384,545 0.231,546 0.156,547 0.066,548 4239,549 10171,550 1.868,551 56.3,552 12,553 12,556 2,557 1,561 1.626,562 1.726,563 3.467,564 0.284,565 1,566 1,570 65.454,571 1.364,572 3.09,573 4.209,574 4.663,575 4.746,576 4.746,577 2.951,578 3.916,579 4.352,580 3.623,581 760.914,582 7.433,583 8637.56,585 1,587 1,588 268.078,589 1.475,590 4.302,591 0.19,592 0.006,593 0.077,594 0.048,595 0.038,596 0.025,597 0.023,598 0.014,599 0.01,600 0.005,601 0.436,602 0.67,603 1,604 2.603,605 98.261,606 -0.045,607 -0.065,608 0.003,609 -0.036,610 -0.084,611 -0.013,612 -0.033,613 0.041,614 -0.033,615 0.028,616 -0.025,617 -0.001,618 0.064,619 0.011,620 -0.071,621 -0.015,623 -0.059,624 -0.045,625 -0.024,626 0.007,628 -0.035,629 0.01,630 0.046,631 -0.114,632 -0.084,633 -0.112,634 -0.007,635 -0.116,636 0.03,637 0.01,638 0.014,639 -0.018,640 -0.018,641 -0.005,642 -0.041,643 -0.012,644 0.044,645 0.008,646 -0.037,647 0.035,648 0.06,649 -0.06,650 -0.071,651 -0.077,652 0.13,653 -0.09,654 1.667,655 5.023,656 0.286,657 22.825,658 0.991,659 1.136,660 2.193,661 4.81,662 0.61,663 3.091,664 3.296,665 3.401,666 3.497,667 3.584,668 3.555,669 3.638,670 3.555,671 3.219,672 2.944,673 6.518,674 0.563,675 293.45,676 3.091,677 4.554,678 5.323,679 6.133,680 6.929,681 7.75,682 8.559,683 9.387,684 10.205,685 11.037,686 2.1,693 1,701 4,706 2,708 6,724 48,726 7,727 1,728 21,730 48,731 17,732 6,733 2,734 4,737 1,738 1,743 4,749 1,751 7,752 10,753 2,754 1,758 1,761 1,763 1,764 1,767 27,768 4,769 2,770 4,773 1,777 1,778 3,779 1,789 1,798 1,808 1,809 1,810 1,815 3,819 21,826 1,827 5,828 1,829 1,831 2,839 6.3,840 1,842 1,843 1,846 12.167,847 9.033,848 4.972,849 3.01,850 1.175,851 1.199,852 0.864,853 8.208,854 7.077,855 3.258,856 3.651,857 4.012,858 4.411,859 4.847,860 4.869,861 5.104,862 5.077,863 4.57,864 4.213,865 0.875,866 26,867 7.791,869 3.043,870 0.006,871 7.794,872 15.041,874 11.548,876 2.294,877 48.167,878 0.001,881 294.278,882 89.281,883 18.011,885 78.828,888 89.281,889 373.106,890 18.011,891 26.476,892 31.836,893 80.588,894 40.849,895 6.371,897 294.278,899 294.278,900 107.292,901 78.828,904 294.278,905 25.145,906 53.683,908 58.311,909 48.981,912 294.278,913 96.839,914 89.281,917 294.278,918 24.901,919 64.381,920 18.011,921 78.828,922 294.278,923 96.839,924 89.281,926 0.55,927 0.293,928 0.142,929 0.072,930 8,931 5,932 0.188,933 9,935 1,936 3.367,937 133.905,939 6,940 86.239,944 17.83,945 9.668,946 6.851,948 96.839,949 8.265,954 2.329,956 60.694,957 480.398,958 25,962 12.023,965 -0.001,967 47.571,968 54.524,969 0.244,970 0.553,971 0.754,972 0.835,973 0.85,974 0.85,975 4.437,976 0.816,977 5.263,978 2.275,979 3.97,980 4.331,981 2.246,982 5.948,983 3.929,984 5.558,985 0.395,986 6.753,987 1.712,988 3.434,989 3.951,990 1.593,991 6.668,992 3.449,993 6.797,994 -0.08,995 8.351,996 0.684,997 5.434,998 6.268,999 3.148,1000 9.706,1001 5.387,1002 8.072,1003 -0.32,1004 10.012,1005 -0.191,1006 5.707,1007 6.681,1008 3.168,1009 11.272,1010 5.726,1011 9.383,1012 -0.835,1013 11.716,1014 -0.539,1015 7.18,1016 8.525,1017 4.323,1018 13.829,1019 7.151,1020 10.717,1021 -1,1022 13.45,1023 -1.877,1024 7.849,1025 9.304,1026 4.654,1027 15.751,1028 7.87,1029 12.07,1030 -1,1031 15.206,1032 -2,1033 9.093,1034 10.937,1035 5.603,1036 18.126,1037 9.086,1038 2.945,1039 -1,1040 16.979,1041 -2.043,1042 9.963,1043 11.912,1044 6.091,1045 20.211,1046 9.987,1047 2.56,1048 9.39,1049 18.766,1050 -3,1051 11.104,1052 13.428,1053 6.928,1054 22.51,1055 11.115,1056 2.117,1057 7.255,1058 20.562,1059 3.722,1060 12.074,1061 14.521,1062 7.5,1063 24.673,1064 12.104,1065 1.858,1066 5.731,1067 22.367,1068 3.13,1069 13.172,1070 15.966,1071 8.273,1072 26.939,1073 13.196,1074 1.732,1075 4.5,1076 24.178,1077 2.574,1078 14.192,1079 17.133,1080 8.894,1081 29.14,1082 14.227,1083 1.278,1084 3.547,1085 25.995,1086 2.011,1087 15.272,1088 18.533,1089 9.631,1090 31.39,1091 15.306,1092 1,1093 2.575,1094 27.816,1095 1.801,1096 16.318,1097 19.75,1098 10.279,1099 33.61,1100 16.359,1101 4553,1102 7142,1103 13.118,1104 29.267,1105 29.741,1106 31.039,1107 30.824,1108 29.343,1109 29.401,1110 34.763,1111 6.342,1112 75.337,1113 28.642,1114 5.142,1115 5.768,1116 6.284,1117 4.984,1118 4.945,1119 6.722,1120 3.497,1121 16.02,1122 4.954,1123 13.042,1124 1.416,1125 1.478,1126 1.468,1127 1.397,1128 1.4,1129 1.655,1130 0.302,1131 3.587,1132 1.364,1133 3.982,1134 4.013,1135 3.912,1136 3.921,1137 7.428,1138 3.915,1139 3.715,1140 3.768,1141 3.602,1142 3.562,1143 6.457,1144 3.556,1145 3.63,1146 3.687,1147 3.475,1148 3.433,1149 4.728,1150 3.439,1151 3.501,1152 3.552,1153 3.359,1154 3.302,1155 4.558,1156 3.305,1157 3.33,1158 3.407,1159 3.137,1160 3.134,1161 4.208,1162 3.123,1163 2.97,1164 3.032,1165 2.812,1166 2.743,1167 4.042,1168 2.732,1169 2.895,1170 3.009,1171 2.687,1172 2.735,1173 3.86,1174 2.715,1175 2.874,1176 2.989,1177 2.646,1178 2.638,1179 3.674,1180 2.649,1181 0.2,1182 0.179,1183 0.301,1184 0.188,1185 0.14,1186 4.207,1187 0.177,1188 3.768,1189 0.095,1190 6.331,1191 0.447,1192 3.949,1193 0.141,1194 2.945,1195 3.722,1196 1.987,1197 9.39,1198 2.954,1199 1.966,1200 1.939,1201 2.097,1202 2.051,1203 1.325,1204 2.067,1205 1.698,1206 1.643,1207 1.936,1208 1.891,1209 1.164,1210 1.901,1211 1.582,1212 1.525,1213 1.827,1214 1.815,1215 1.048,1216 1.828,1217 1.462,1218 1.41,1219 1.724,1220 1.697,1221 0.911,1222 1.704,1223 1.33,1224 1.253,1225 1.648,1226 1.564,1227 0.843,1228 1.598,1229 0.937,1230 0.852,1231 1.417,1232 1.239,1233 0.475,1234 1.308,1235 0.934,1236 0.821,1237 1.307,1238 1.235,1239 0.469,1240 1.233,1241 0.886,1242 0.804,1243 1.181,1244 1.159,1245 0.222,1246 1.2,1247 3.761,1249 4.99,1251 6.399,1253 7.895,1255 9.442,1257 6.299,1262 8.576,1263 2.264,1264 2.841,1265 5.107,1267 0.464,1272 27.014,1273 65.454,1274 148.33,1275 202.039,1276 223.814,1277 227.814,1278 227.814,1279 59.019,1280 5.903,1281 58.56,1282 58.56,1283 6,1284 11.612,1285 3,1286 2.322,1287 54.147,1288 79,1289 94,1290 0.331,1291 173.52,1292 306.21,1293 415.15,1294 2266,1296 15.665,1297 0.746,1298 0.632,1299 15.665,1300 13.263,1301 10.041,1302 0.478,1303 0.362,1304 7.499,1305 9.671,1306 7.195,1307 6.074,1308 10.041,1309 7.594,1310 8.45,1311 0.325,1312 0.219,1313 8.45,1314 5.688,1315 6.1,1316 0.21,1317 0.114,1318 6.1,1319 3.298,1320 4.414,1321 0.138,1322 0.067,1323 4.414,1324 2.131,1325 3.132,1326 0.089,1327 0.037,1328 3.132,1329 1.28,1330 0.535,1331 62.984,1332 0.276,1333 21.612,1334 0.862,1335 94,1336 271.954,1337 102.253,1338 254.406,1339 328.88,1340 238,1341 102,1342 213.478,1343 109.479,1344 217.257,1345 309.97,1346 203,1347 3.91}
{0 CHEMBL374478,1 1.536,2 15.763,3 3.402,4 11.57,5 223.346,6 7.035,7 0.175,8 4.846,9 4.956,10 4.331,11 4.284,12 5.97,13 4.275,14 5.419,15 5.593,16 4.751,17 4.699,18 6.484,19 4.681,20 5.735,21 5.901,22 4.989,23 4.953,24 6.903,25 4.932,26 5.989,27 6.182,28 5.066,29 5.108,30 7.173,31 5.056,32 6.069,33 6.283,34 5.151,35 5.174,36 7.255,37 5.114,38 6.163,39 6.369,40 5.185,41 5.208,42 7.405,43 5.154,44 6.171,45 6.377,46 5.187,47 5.256,48 7.332,49 5.19,50 6.257,51 6.48,52 5.187,53 5.293,54 7.407,55 5.214,56 0.245,57 1.59,58 26.701,59 11.354,60 41.65,61 14.704,62 0.859,63 2.534,64 50.888,65 18.008,66 92.648,67 24.771,68 1.269,69 3.307,70 70.777,71 24.311,72 152.408,73 32.78,74 2.396,75 3.944,76 94.956,77 30.557,78 292.005,79 41.777,80 1.954,81 4.272,82 101.934,83 33.959,84 290.037,85 47.729,86 3.432,87 4.455,88 115.801,89 34.689,90 438.882,91 48.418,92 2.45,93 4.683,94 113.857,95 36.238,96 325.434,97 50.82,98 3.349,99 4.913,100 127.202,101 38.515,102 408.561,103 54.527,104 330,105 94,106 0.218,107 0.553,108 0.781,109 0.861,110 0.884,111 0.891,112 4.097,113 0.942,114 -1.8,115 -1.86,116 -1.87,118 36.8,119 8,121 4,123 2,124 4,126 4,129 1,132 4,133 1,134 1,138 5,139 5,147 1,149 1,150 2,157 1,162 12,165 2,166 14,169 1,171 11,174 13,178 3,179 11,183 1,184 14,187 18,191 3,192 15,195 4,196 3,197 9,200 18,204 16,207 6,208 3,209 12,212 19,216 4,217 15,220 10,222 13,225 20,230 4,231 15,234 5,236 9,239 19,244 5,245 19,248 8,249 1,250 11,253 21,258 4,259 20,262 1,264 6,267 21,272 5714,273 37.948,274 37.948,275 37.948,276 37.948,277 37.948,278 35.236,279 48.064,280 21.212,281 38.646,282 30.688,283 30.688,284 30.688,285 30.688,286 30.688,287 26.393,288 58.09,289 9.781,290 31.79,291 5.334,292 2.969,293 1.354,294 0.791,295 0.629,296 0.577,297 4.78,302 1949,303 4.637,306 81.538,307 340.761,310 148.569,311 171.466,314 2.285,315 118.716,318 0.25,319 0.5,320 0.5,321 0.7,322 1,323 0.33,324 0.5,325 0.54,326 132,327 930,328 4.95,329 4.282,330 7.641,331 4.631,332 3.638,333 4.907,334 2.443,335 14.012,336 3.612,337 4.572,338 3.681,339 7.191,340 4.308,341 3.324,342 4.032,343 2.098,344 12.471,345 3.267,346 4.214,347 3.627,348 6.766,349 4.143,350 3.174,351 3.661,352 1.151,353 10.84,354 3.07,355 4.184,356 3.49,357 6.566,358 3.885,359 2.917,360 3.45,361 1.058,362 10.227,363 2.834,364 4.068,365 3.309,366 6.418,367 3.874,368 2.894,369 3.231,370 0.808,371 9.57,372 2.817,373 3.945,374 3.166,375 6.248,376 3.686,377 2.688,378 3.204,379 0.8,380 8.946,381 2.677,382 3.846,383 3.086,384 6.023,385 3.546,386 2.609,387 3.073,388 0.532,389 8.302,390 2.441,391 3.72,392 2.95,393 5.875,394 3.479,395 2.515,396 2.978,397 0.4,398 7.813,399 2.425,400 3.613,401 2.908,402 5.847,403 3.471,404 2.499,405 2.718,406 0.286,407 7.773,408 2.417,409 3.583,410 2.835,411 5.577,412 3.246,413 2.27,414 2.685,416 7.145,417 2.212,418 3.498,419 2.683,420 5.408,421 3.193,422 2.232,423 2.605,425 6.609,426 2.122,427 3.319,428 2.487,429 5.335,430 3.015,431 2.086,432 2.489,434 6.307,435 1.944,436 3.196,437 2.417,438 4.94,439 2.957,440 2.001,441 2.247,443 5.687,444 1.895,445 3.157,446 2.384,447 4.884,448 2.914,449 1.92,450 2.185,452 4.886,453 1.893,454 2.958,455 2.19,456 4.698,457 2.552,458 1.577,459 1.961,461 4.388,462 1.526,463 27.1,464 0.459,465 2.113,466 0.036,467 60,468 1.017,469 22.5,470 0.381,471 37.5,472 0.636,473 94.69,474 1.605,475 69.5,476 0.594,477 75.81,478 1.285,479 11.683,480 0.198,481 16.048,482 0.272,483 0.283,484 0.018,485 0.435,490 0.88,491 1.387,492 0.872,493 1.26,494 0.839,495 1.093,496 0.865,497 1.095,498 0.78,499 0.991,500 0.635,501 0.873,502 1.105,503 1.174,504 0.965,505 1.133,506 0.919,507 1.029,508 1.143,509 1.004,510 1.044,511 1.014,512 1.137,513 1.01,514 0.838,515 1.118,516 0.85,517 1.117,518 0.838,519 1.007,520 1.152,521 0.953,522 1.011,523 0.928,524 1.152,525 0.939,526 1.075,527 1.118,528 1.029,529 1.099,530 1.067,531 1.064,532 1.109,533 0.922,534 1.035,535 0.93,536 1.155,537 0.965,538 14,539 1.154,540 9.778,541 6.639,542 6.001,543 4.233,544 2.869,545 2.029,546 1.695,547 1.443,548 59507,549 160964,550 1.932,551 49.6,552 18,553 22,554 1,555 1,556 6,557 3,558 1,559 6,561 1.898,562 1.723,563 3.869,564 2.608,570 179.721,571 1.536,572 3.902,573 5.516,574 6.079,575 6.242,576 6.293,577 3.102,578 5.611,579 5.864,580 4.023,581 6883.38,582 10.537,583 146359,588 803.833,589 1.661,590 5.754,591 0.222,592 0.008,593 0.104,594 0.058,595 0.05,596 0.033,597 0.022,598 0.015,599 0.013,600 0.01,601 0.535,602 0.17,603 0.5,604 0.887,605 362.4,606 -0.074,607 -0.071,608 0.025,609 -0.02,610 -0.117,611 0.016,612 0.022,613 0.081,614 0.166,615 0.113,616 0.038,617 0.169,618 -0.061,619 -0.033,620 0.008,621 -0.045,622 -0.001,623 -0.006,624 -0.018,625 0.041,626 -0.043,627 0.018,628 -0.042,629 -0.014,630 0.097,631 -0.089,632 0.121,633 -0.075,634 0.115,635 0.014,636 0.055,637 0.035,638 0.015,639 0.063,640 0.046,641 0.034,642 -0.029,643 -0.088,644 -0.038,645 -0.075,646 -0.028,647 -0.064,648 -0.01,649 0.063,650 -0.025,651 0.053,652 -0.046,653 0.014,654 3.293,655 7.426,656 0.61,657 59.553,658 1.01,659 1.134,660 0.567,661 0.321,662 0.624,663 4.159,664 4.554,665 4.868,666 5.124,667 5.407,668 5.595,669 5.771,670 5.958,671 6.144,672 6.284,673 9.126,674 0.597,675 823.05,676 4.159,677 5.753,678 6.635,679 7.548,680 8.456,681 9.378,682 10.299,683 11.23,684 12.16,685 13.098,686 3.4,689 2,693 1,695 1,700 2,706 8,708 11,713 1,721 3,722 1,724 117,726 18,727 2,728 63,730 121,731 43,732 10,733 10,735 7,737 5,738 15,740 1,743 8,746 5,747 4,749 5,751 20,752 23,753 4,754 7,758 3,759 6,760 1,761 4,767 58,768 16,769 6,770 16,773 4,777 0.4,778 12,780 2,788 1,789 3,792 1,793 1,798 1,801 1,802 4,803 1,806 1,808 2,809 2,810 2,815 10,819 59,826 5,827 4,828 1,829 4,831 8,832 2,833 1,839 10.3,840 2,841 3,842 3,843 2,844 2,846 34.25,847 23.433,848 12.889,849 6.948,850 4.211,851 1.423,852 0.87,853 14.75,854 14.174,855 4.337,856 4.909,857 5.467,858 6.031,859 6.641,860 7.132,861 7.614,862 8.08,863 8.518,864 8.834,865 0.75,866 115,867 22.52,869 10.261,870 0.006,871 8.004,872 41.184,874 34.227,876 2.504,877 147.75,881 612.097,882 199.708,883 40.8,885 332.851,888 199.708,889 944.948,890 40.8,891 89.881,892 37.968,893 123.272,894 263.333,895 70.677,896 11.771,897 588.555,899 612.097,900 240.508,901 332.851,904 529.7,905 307.882,906 107.366,908 119.824,909 73.731,910 46.952,912 612.097,913 373.651,914 199.708,917 612.097,918 51.341,919 154.494,920 18.011,921 349.514,922 612.097,923 373.651,924 199.708,926 0.602,927 0.368,928 0.185,929 0.104,930 42,931 26,932 0.041,933 5,934 8,935 1.306,936 5.444,937 741.523,938 0.444,939 31,940 343.076,944 46.226,945 18.826,946 9.405,947 -0.553,948 373.651,954 -2.33,956 231.427,957 1185.46,958 75.5,962 40.496,963 8.741,964 4.552,965 -1.847,967 118.192,968 132.716,969 0.224,970 0.568,971 0.803,972 0.885,973 0.909,974 0.916,975 5.659,976 2.515,977 6.688,978 8.302,979 5.242,980 5.598,981 3.305,982 7.604,983 5.177,984 6.89,985 2.499,986 8.334,987 7.813,988 5.13,989 5.64,990 2.551,991 8.817,992 5.059,993 8.232,994 2.27,995 10.082,996 7.773,997 6.971,998 7.773,999 4.423,1000 11.952,1001 6.863,1002 9.608,1003 2.232,1004 11.891,1005 7.145,1006 7.636,1007 8.633,1008 4.575,1009 13.972,1010 7.527,1011 11.017,1012 2.086,1013 13.738,1014 6.609,1015 9.028,1016 10.348,1017 5.883,1018 16.711,1019 8.894,1020 12.451,1021 2.001,1022 15.612,1023 6.307,1024 10.016,1025 11.587,1026 6.421,1027 19.067,1028 9.881,1029 13.905,1030 1.92,1031 17.508,1032 5.687,1033 11.276,1034 13.182,1035 7.492,1036 21.696,1037 11.127,1038 3.638,1039 1.577,1040 19.42,1041 4.886,1042 12.404,1043 14.603,1044 8.204,1045 24.198,1046 12.252,1047 3.324,1048 14.012,1049 21.347,1050 4.388,1051 13.634,1052 16.17,1053 9.171,1054 26.802,1055 13.474,1056 3.174,1057 12.471,1058 23.285,1059 4.907,1060 14.826,1061 17.678,1062 9.967,1063 29.367,1064 14.663,1065 2.917,1066 10.84,1067 25.235,1068 4.032,1069 16.058,1070 19.244,1071 10.888,1072 31.972,1073 15.889,1074 2.894,1075 10.227,1076 27.193,1077 3.661,1078 17.282,1079 20.792,1080 11.726,1081 34.567,1082 17.11,1083 2.688,1084 9.57,1085 29.159,1086 3.45,1087 18.523,1088 22.365,1089 12.626,1090 37.178,1091 18.347,1092 2.609,1093 8.946,1094 31.132,1095 3.231,1096 19.765,1097 23.932,1098 13.487,1099 39.788,1100 19.586,1101 57959,1102 95653,1103 38.843,1104 73.035,1105 97.502,1106 100.97,1107 104.876,1108 95.702,1109 95.875,1110 113.159,1111 19.152,1112 297.083,1113 92.448,1114 5.95,1115 6.282,1116 7.211,1117 5.698,1118 5.638,1119 7.907,1120 4.174,1121 22.192,1122 5.612,1123 46.14,1124 1.548,1125 1.603,1126 1.665,1127 1.519,1128 1.522,1129 1.796,1130 0.304,1131 4.716,1132 1.467,1133 4.166,1134 4.169,1135 4.151,1136 4.095,1137 7.435,1138 4.108,1139 3.935,1140 3.969,1141 3.839,1142 3.818,1143 7.429,1144 3.816,1145 3.845,1146 3.908,1147 3.784,1148 3.712,1149 7.426,1150 3.718,1151 3.818,1152 3.857,1153 3.716,1154 3.63,1155 6.498,1156 3.646,1157 3.736,1158 3.762,1159 3.663,1160 3.58,1161 6.461,1162 3.591,1163 3.71,1164 3.735,1165 3.623,1166 3.572,1167 6.459,1168 3.581,1169 3.56,1170 3.595,1171 3.47,1172 3.41,1173 6.446,1174 3.412,1175 3.514,1176 3.552,1177 3.421,1178 3.356,1179 6.436,1180 3.365,1181 0.079,1182 0.068,1183 0.121,1184 0.074,1185 0.058,1186 4.95,1187 0.078,1188 4.282,1189 0.039,1190 7.641,1191 0.222,1192 4.631,1193 0.057,1194 3.638,1195 4.907,1196 2.443,1197 14.012,1198 3.612,1199 2.066,1200 2.064,1201 2.089,1202 2.136,1203 1.43,1204 2.12,1205 1.881,1206 1.846,1207 2.058,1208 2.03,1209 1.329,1210 2.038,1211 1.801,1212 1.768,1213 1.978,1214 2.005,1215 1.272,1216 2.002,1217 1.764,1218 1.689,1219 1.975,1220 1.946,1221 1.271,1222 1.955,1223 1.692,1224 1.657,1225 1.877,1226 1.86,1227 1.066,1228 1.861,1229 1.593,1230 1.565,1231 1.793,1232 1.797,1233 0.944,1234 1.785,1235 1.559,1236 1.533,1237 1.746,1238 1.739,1239 0.876,1240 1.74,1241 1.493,1242 1.453,1243 1.704,1244 1.69,1245 0.846,1246 1.69,1247 4.844,1249 6.221,1250 2.398,1251 7.784,1252 4.949,1253 9.438,1254 7.235,1255 11.15,1257 15.949,1262 58.417,1263 2.562,1264 2.666,1265 23.596,1267 -6.354,1268 3.897,1269 -2.043,1272 69.887,1273 179.721,1274 456.49,1275 645.416,1276 711.264,1277 730.284,1278 736.284,1279 294.879,1280 9.963,1281 220.15,1282 220.15,1283 47,1284 13.597,1285 4.248,1286 3.755,1287 116.835,1288 374,1289 345,1290 0.169,1291 426.277,1292 786.66,1293 1031.88,1294 409467,1296 43.67,1297 0.74,1298 0.599,1299 43.67,1300 35.347,1301 27.731,1302 0.44,1303 0.314,1304 19.439,1305 26.344,1306 18.662,1307 15.523,1308 27.731,1309 19.789,1310 26.258,1311 0.279,1312 0.171,1313 26.258,1314 16.119,1315 23.037,1316 0.179,1317 0.092,1318 23.037,1319 11.863,1320 17.567,1321 0.105,1322 0.047,1323 17.567,1324 7.923,1325 14.408,1326 0.065,1327 0.024,1328 14.408,1329 5.233,1330 0.261,1331 176.723,1332 0.16,1333 47.24,1334 0.474,1335 314,1336 996.165,1337 355.152,1338 926.37,1339 1234.03,1340 860,1341 380,1342 885.306,1343 423.155,1344 883.704,1345 1310.13,1346 827,1347 4.921}
{0 CHEMBL374975,1 1.266,2 11.189,3 5.072,4 25.727,5 144.122,6 6.08,8 4.493,9 4.617,10 3.86,11 4.004,12 5.443,13 3.94,14 5.141,15 5.33,16 4.341,17 4.518,18 6.061,19 4.428,20 5.552,21 5.748,22 4.574,23 4.867,24 6.378,25 4.75,26 5.887,27 6.125,28 4.704,29 5.073,30 6.675,31 4.921,32 6.074,33 6.343,34 4.708,35 5.097,36 6.923,37 4.928,38 6.024,39 6.309,40 4.613,41 4.99,42 6.886,43 4.824,44 5.866,45 6.122,46 4.594,47 4.864,48 6.982,49 4.721,50 5.811,51 6.073,52 4.313,53 4.726,54 6.842,55 4.566,56 0.096,57 1.113,58 21.326,59 9.547,60 20.15,61 12.77,62 0.418,63 1.962,64 40.175,65 16.973,66 68.17,67 23.307,68 0.436,69 2.876,70 60.384,71 24.865,72 75.585,73 34.354,74 0.571,75 3.75,76 82.866,77 32.62,78 101.173,79 46.173,80 1.228,81 4.078,82 100.246,83 35.293,84 179.507,85 50.882,86 1.264,87 3.721,88 95.199,89 32.105,90 187.183,91 46.56,92 1.407,93 3.234,94 83.064,95 27.696,96 268.524,97 39.772,98 1.409,99 2.882,100 78.933,101 24.457,102 243.075,103 35.131,104 161,105 64,106 0.194,107 0.455,108 0.723,109 0.835,110 0.876,111 0.879,112 3.643,113 1.072,114 -5.64,115 -5.51,116 -5.14,118 36.5,119 7,120 8,121 4,122 3,126 3,132 1,133 3,150 2,158 1,161 1,162 25,163 1,165 1,166 5,169 1,171 5,174 40,175 2,179 5,184 8,187 45,188 2,192 8,193 1,197 11,200 41,201 4,203 1,204 11,207 1,209 13,212 35,213 3,217 10,218 1,220 1,222 6,223 1,225 29,226 6,230 1,231 14,234 2,235 2,236 10,239 24,240 2,245 9,248 1,250 7,253 22,254 3,259 8,264 5,267 19,268 2,272 2354,273 23.318,274 23.318,275 23.318,276 23.318,277 23.318,278 22.317,279 19.143,280 12.889,281 23.481,282 19.608,283 19.608,284 19.608,285 19.608,286 19.608,287 18.098,288 19.007,289 5.988,290 19.893,291 5.143,292 3.444,293 1.695,294 0.959,295 0.697,296 0.674,297 4.321,302 866,303 5.385,306 59.701,307 211.373,310 101.45,311 233.852,314 1.718,315 58.372,318 0.5,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.84,326 80,327 414,328 5.043,329 4.09,330 8.749,331 5.031,332 4.032,333 4.105,334 2.455,335 17.909,336 4.026,337 4.583,338 3.752,339 7.901,340 4.535,341 3.538,342 3.789,343 1.437,344 14.683,345 3.528,346 4.31,347 3.622,348 7.021,349 4.069,350 3.078,351 3.444,352 1.042,353 11.625,354 3.048,355 3.744,356 3.52,357 6.511,358 3.674,359 2.691,360 2.901,361 0.68,362 9.486,363 2.64,364 3.655,365 3.137,366 6.112,367 3.464,368 2.479,369 2.815,370 0.149,371 8.269,372 2.438,373 3.621,374 2.808,375 5.716,376 3.262,377 2.299,378 2.697,380 7.068,381 2.215,382 3.477,383 2.674,384 5.543,385 3.217,386 2.239,387 2.546,389 6.976,390 2.187,391 3.251,392 2.489,393 5.115,394 3.199,395 2.213,396 2.253,398 5.37,399 2.147,400 3.067,401 2.308,402 4.904,403 2.848,404 1.849,405 2.078,407 5.171,408 1.834,409 2.822,410 2.214,411 4.656,412 2.785,413 1.795,414 1.821,416 4.919,417 1.766,418 2.699,419 1.908,420 4.521,421 2.47,422 1.479,423 1.656,425 4.325,426 1.451,427 2.359,428 1.696,429 4.191,430 2.316,431 1.317,432 1.348,434 3.002,435 1.311,436 2.044,437 1.265,438 3.984,439 2.001,440 1.007,441 1.023,443 2.553,444 0.999,445 1.828,446 1.037,447 3.726,448 1.662,449 0.669,450 0.735,452 1.64,453 0.657,454 1.358,455 0.837,456 3.405,457 1.311,458 0.355,459 0.355,461 0.874,462 0.335,463 17.5,464 0.473,465 1.589,466 0.043,467 27.25,468 0.736,469 5.5,470 0.149,471 21.75,472 0.588,473 68.858,474 1.861,475 44.9,476 0.528,477 20.199,478 0.546,479 3.627,480 0.098,481 13.543,482 0.366,483 0.295,484 0.086,485 0.343,490 0.807,491 1.261,492 1.02,493 1.251,494 0.796,495 1.178,496 0.544,497 1.066,498 0.84,499 1.063,500 0.454,501 1.005,502 0.848,503 1.222,504 1.105,505 1.226,506 0.752,507 1.207,508 0.705,509 1.231,510 1.03,511 1.231,512 0.674,513 1.187,514 0.94,515 1.059,516 0.996,517 1.057,518 0.878,519 1.038,520 1.092,521 0.882,522 0.927,523 0.877,524 1.016,525 0.877,526 1.066,527 1.067,528 0.998,529 1.057,530 1.106,531 1.022,532 1.711,533 0.896,534 1.226,535 0.898,536 1.807,537 0.977,538 11.5,539 0.289,540 7.778,541 6.069,542 4.775,543 2.977,544 2.037,545 1.12,546 0.749,547 0.55,548 15759,549 33849,550 1.927,551 56.5,552 30,553 4,556 3,557 3,558 8,561 1.791,562 1.701,563 3.347,564 0.702,570 107.63,571 1.266,572 2.965,573 4.714,574 5.45,575 5.712,576 5.735,577 2.912,578 4.919,579 5.173,580 3.553,581 2366.21,582 9.168,583 34873.5,588 544.798,589 1.858,590 5.059,591 0.287,592 0.008,593 0.122,594 0.078,595 0.057,596 0.038,597 0.028,598 0.016,599 0.015,600 0.013,601 0.662,602 0.17,603 0.75,604 1.611,605 196.138,606 -0.053,607 0.082,608 0.023,609 0.081,610 -0.082,611 0.066,612 0.154,613 0.14,614 0.157,615 0.142,616 0.16,617 0.149,618 -0.074,619 -0.04,620 -0.103,621 -0.047,622 -0.058,623 -0.075,624 -0.01,625 -0.138,626 -0.066,627 -0.135,628 -0.013,629 -0.113,630 0.016,631 -0.073,632 -0.015,633 -0.07,634 -0.01,635 -0.05,636 -0.03,637 0.056,638 0.062,639 0.062,640 -0.034,641 0.074,642 0.125,643 -0.088,644 0.024,645 -0.084,646 0.166,647 -0.05,648 -0.194,649 0.03,650 -0.163,651 0.015,652 -0.18,653 -0.059,654 2.619,655 5.893,656 0.459,657 39.246,658 0.99,659 1.132,660 4.415,661 19.489,662 0.612,663 3.714,664 4.174,665 4.533,666 4.913,667 5.236,668 5.493,669 5.737,670 5.911,671 6.08,672 6.198,673 6.477,674 0.564,675 516.79,676 3.714,677 5.342,678 6.256,679 7.226,680 8.179,681 9.163,682 10.134,683 11.125,684 12.107,685 13.102,724 85,726 4,728 40,730 88,731 31,735 3,737 4,738 10,743 7,744 3,745 3,746 9,747 4,749 11,751 6,752 25,753 4,754 4,758 2,759 1,761 5,767 48,768 6,769 3,770 6,777 0.25,778 6,780 2,788 1,789 3,792 1,793 2,800 1,801 1,802 1,803 3,808 3,810 1,815 7,819 37,826 3,827 8,829 1,831 7,833 3,839 7.1,840 2,841 1,842 2,844 1,846 21.75,847 16.767,848 7.799,849 5.551,850 0.628,851 1.073,852 0.847,853 7.759,854 9.261,855 3.807,856 4.331,857 4.71,858 5.118,859 5.497,860 5.817,861 6.125,862 6.292,863 6.532,864 6.712,865 0.875,866 78,867 14.081,869 6.415,870 0.006,871 7.795,872 27.322,874 24.813,876 2.295,877 84.917,881 529.7,882 109.187,885 189.34,888 109.187,889 719.039,891 61.776,892 20.276,893 94.843,894 101.074,895 20.557,897 529.7,899 529.7,900 109.187,901 189.34,904 435.531,905 198.142,906 85.367,908 82.053,909 17.658,910 9.476,912 529.7,913 189.34,914 109.187,917 529.7,918 37.934,919 71.253,921 189.34,922 529.7,923 189.34,924 109.187,926 0.613,927 0.362,928 0.199,929 0.117,930 33,931 18,932 0.068,933 6,934 3,935 1.353,936 4.058,937 405.661,938 0.353,939 17,940 190.75,944 28.677,945 10.01,946 4.503,948 189.34,956 128.05,957 828.226,958 44,962 24.826,963 2.048,965 0.868,967 84.17,968 96.221,969 0.198,970 0.463,971 0.736,972 0.85,973 0.891,974 0.895,975 5.198,976 2.213,977 6.372,978 6.976,979 4.86,980 5.017,981 2.901,982 7.421,983 4.834,984 6.446,985 1.849,986 8.101,987 5.37,988 4.977,989 5.165,990 2.243,991 9.083,992 4.948,993 7.831,994 1.795,995 9.957,996 5.171,997 6.753,998 7.041,999 4.085,1000 12.305,1001 6.718,1002 9.248,1003 1.479,1004 11.895,1005 4.919,1006 7.645,1007 7.92,1008 4.269,1009 14.784,1010 7.614,1011 10.703,1012 1.317,1013 13.886,1014 4.325,1015 9.071,1016 9.427,1017 5.609,1018 17.709,1019 9.038,1020 12.185,1021 1.007,1022 15.917,1023 3.002,1024 10.261,1025 10.593,1026 6.176,1027 20.447,1028 10.231,1029 13.69,1030 0.669,1031 17.976,1032 2.553,1033 11.615,1034 12,1035 7.287,1036 23.315,1037 11.586,1038 4.032,1039 0.355,1040 20.056,1041 1.64,1042 12.914,1043 13.285,1044 8.027,1045 26.136,1046 12.887,1047 3.538,1048 17.909,1049 22.152,1050 0.874,1051 14.264,1052 14.667,1053 9.03,1054 28.999,1055 14.237,1056 3.078,1057 14.683,1058 24.261,1059 4.105,1060 15.606,1061 16.006,1062 9.85,1063 31.851,1064 15.579,1065 2.691,1066 11.625,1067 26.379,1068 3.789,1069 16.965,1070 17.384,1071 10.801,1072 34.718,1073 16.938,1074 2.479,1075 9.486,1076 28.505,1077 3.444,1078 18.326,1079 18.748,1080 11.66,1081 37.585,1082 18.298,1083 2.299,1084 8.269,1085 30.638,1086 2.901,1087 19.694,1088 20.13,1089 12.585,1090 40.457,1091 19.665,1092 2.239,1093 7.068,1094 32.776,1095 2.815,1096 21.065,1097 21.507,1098 13.464,1099 43.33,1100 21.035,1101 15800,1102 23214,1103 24.274,1104 52.001,1105 62.895,1106 65.044,1107 68.616,1108 62.338,1109 62.281,1110 67.337,1111 11.525,1112 208.299,1113 61.356,1114 6.043,1115 6.09,1116 8.284,1117 6.053,1118 6.032,1119 6.771,1120 4.232,1121 27.977,1122 6.026,1123 27.618,1124 1.572,1125 1.626,1126 1.715,1127 1.558,1128 1.557,1129 1.683,1130 0.288,1131 5.207,1132 1.534,1133 4.146,1134 4.177,1135 4.067,1136 4.075,1137 7.475,1138 4.069,1139 3.92,1140 3.952,1141 3.835,1142 3.834,1143 7.433,1144 3.829,1145 3.766,1146 3.815,1147 3.649,1148 3.672,1149 6.452,1150 3.659,1151 3.636,1152 3.672,1153 3.533,1154 3.51,1155 6.446,1156 3.507,1157 3.527,1158 3.552,1159 3.443,1160 3.326,1161 6.351,1162 3.332,1163 3.451,1164 3.511,1165 3.298,1166 3.293,1167 4.596,1168 3.286,1169 3.426,1170 3.48,1171 3.283,1172 3.246,1173 4.441,1174 3.252,1175 3.309,1176 3.384,1177 3.111,1178 3.142,1179 4.378,1180 3.124,1181 0.126,1182 0.102,1183 0.219,1184 0.126,1185 0.101,1186 5.043,1187 0.103,1188 4.09,1189 0.061,1190 8.749,1191 0.448,1192 5.031,1193 0.101,1194 4.032,1195 4.105,1196 2.455,1197 17.909,1198 4.026,1199 2.071,1200 2.04,1201 2.218,1202 2.168,1203 1.702,1204 2.186,1205 1.85,1206 1.818,1207 2.02,1208 1.969,1209 1.428,1210 1.985,1211 1.79,1212 1.749,1213 1.988,1214 1.926,1215 1.278,1216 1.947,1217 1.671,1218 1.636,1219 1.852,1220 1.829,1221 1.124,1222 1.835,1223 1.476,1224 1.429,1225 1.743,1226 1.697,1227 1.074,1228 1.703,1229 1.458,1230 1.397,1231 1.736,1232 1.649,1233 1.009,1234 1.679,1235 1.406,1236 1.355,1237 1.691,1238 1.624,1239 0.899,1240 1.651,1241 1.337,1242 1.267,1243 1.65,1244 1.552,1245 0.815,1246 1.589,1247 4.394,1249 5.82,1250 2.398,1251 7.453,1252 4.949,1253 9.205,1254 7.261,1255 11.03,1257 14.457,1262 32.877,1263 5.618,1265 5.872,1267 -1.002,1269 -0.648,1272 47.932,1273 107.63,1274 252.054,1275 400.72,1276 463.249,1277 485.514,1278 487.514,1279 144.325,1280 8.634,1281 104.06,1282 104.06,1283 23,1284 13.566,1285 2.322,1286 2.322,1287 64.244,1288 142,1289 170,1290 0.23,1291 290.827,1292 537.6,1293 701.379,1294 62762,1296 27.499,1297 0.743,1298 0.644,1299 27.499,1300 23.842,1301 17.169,1302 0.429,1303 0.357,1304 14.192,1305 16.685,1306 13.529,1307 11.19,1308 17.169,1309 14.3,1310 17.562,1311 0.274,1312 0.213,1313 17.562,1314 13.646,1315 14.346,1316 0.156,1317 0.126,1318 14.346,1319 11.568,1320 12.642,1321 0.094,1322 0.073,1323 12.642,1324 9.789,1325 10.436,1326 0.056,1327 0.041,1328 10.436,1329 7.584,1330 0.346,1331 106.718,1332 0.203,1333 32.352,1334 0.689,1335 208,1336 481.656,1337 223.167,1338 456.444,1339 605.59,1340 422,1341 260,1342 427.212,1343 272.292,1344 433.678,1345 643.22,1346 406,1347 4.921}
{0 CHEMBL384757,1 1.681,2 17.587,3 1.333,4 1.777,5 267.423,6 7.843,7 0.289,8 5.047,9 5.137,10 4.748,11 4.535,12 6.123,13 4.525,14 5.65,15 5.778,16 5.107,17 4.98,18 6.983,19 4.96,20 5.987,21 6.156,22 5.239,23 5.197,24 7.129,25 5.15,26 6.162,27 6.359,28 5.243,29 5.246,30 7.255,31 5.192,32 6.178,33 6.377,34 5.271,35 5.233,36 7.297,37 5.174,38 6.205,39 6.411,40 5.353,41 5.221,42 7.384,43 5.184,44 6.204,45 6.393,46 5.359,47 5.229,48 7.465,49 5.197,50 6.255,51 6.456,52 5.399,53 5.283,54 7.484,55 5.254,56 0.531,57 1.976,58 35.078,59 14.393,60 90.026,61 16.279,62 2.102,63 3.232,64 61.196,65 24.089,66 288.164,67 29.158,68 2.545,69 4.255,70 92.074,71 32.976,72 275.65,73 41.292,74 3.185,75 4.708,76 114.375,77 36.862,78 353.557,79 46.912,80 3.664,81 4.691,82 119.266,83 37.433,84 410.587,85 47.691,86 3.747,87 4.769,88 127.248,89 37.646,90 434.094,91 48.562,92 4.552,93 4.837,94 124.413,95 35.53,96 495.296,97 45.136,98 3.952,99 5.136,100 130.373,101 37.631,102 498.271,103 49.698,104 274,105 126,106 0.229,107 0.546,108 0.736,109 0.831,110 0.851,111 0.861,112 4.332,113 0.994,114 -0.48,115 -0.61,116 -0.75,118 37,119 2,120 3,121 2,123 2,124 3,126 10,127 2,128 1,137 14,138 8,139 2,151 2,154 1,155 1,156 1,158 4,161 2,162 27,165 6,166 3,169 8,171 5,174 38,175 4,176 1,179 18,181 2,182 10,183 2,184 7,187 35,188 4,190 1,191 1,192 23,195 2,196 4,197 9,200 23,201 4,203 4,204 22,207 8,209 8,212 10,213 4,216 2,217 20,218 2,220 8,221 5,222 17,224 3,225 5,226 4,228 2,230 12,231 17,233 1,234 6,235 2,236 13,239 5,240 4,244 5,245 19,246 2,247 2,248 5,249 6,250 19,251 2,252 1,253 10,258 8,259 17,261 1,262 12,263 3,264 9,267 6,272 19469,273 49.241,274 49.241,275 49.241,276 49.241,277 49.241,278 45.602,279 61.628,280 27.685,281 50.341,282 40.765,283 40.765,284 40.765,285 40.765,286 40.765,287 34.956,288 83.923,289 12.9,290 42.53,291 5.427,292 3.092,293 1.696,294 0.993,295 0.848,296 0.776,297 5.041,302 2879,303 6.745,306 361.884,307 1620.19,310 1297.64,314 2.41,315 160.958,318 0.25,319 0.17,320 0.33,321 0.6,322 1,323 0.17,325 0.36,326 169.5,327 1319,328 4.825,329 5.165,330 7.414,331 4.414,332 3.458,333 4.681,334 2.925,335 12.901,336 3.35,337 4.825,338 5.165,339 7.147,340 4.377,341 3.403,342 4.681,343 2.925,344 12.231,345 3.35,346 4.602,347 3.733,348 7.147,349 4.377,350 3.403,351 4.248,352 2.186,353 12.231,354 3.297,355 4.602,356 3.692,357 7.012,358 4.181,359 3.242,360 4.248,361 2.186,362 11.591,363 3.061,364 4.458,365 3.671,366 7.012,367 4.18,368 3.241,369 3.458,370 1.392,371 11.591,372 2.975,373 4.23,374 3.564,375 6.791,376 4.175,377 3.223,378 3.294,379 1.392,380 11.146,381 2.975,382 3.935,383 3.549,384 6.216,385 3.896,386 2.933,387 3.294,388 0.68,389 9.257,390 2.82,391 3.754,392 3.487,393 6.107,394 3.623,395 2.671,396 3.246,397 0.68,398 8.793,399 2.538,400 3.736,401 3.316,402 5.958,403 3.505,404 2.544,405 2.946,406 0.532,407 8.257,408 2.441,409 3.736,410 3.068,411 5.799,412 3.444,413 2.488,414 2.886,415 0.532,416 7.755,417 2.359,418 3.661,419 2.805,420 5.718,421 3.332,422 2.388,423 2.795,424 0.4,425 7.431,426 2.26,427 3.595,428 2.641,429 5.718,430 3.261,431 2.261,432 2.621,433 0.4,434 7.431,435 2.26,436 3.508,437 2.641,438 5.706,439 3.261,440 2.261,441 2.537,442 0.366,443 7.363,444 2.24,445 3.374,446 2.571,447 5.705,448 3.2,449 2.229,450 2.528,451 0.366,452 7.35,453 2.172,454 3.357,455 2.387,456 5.399,457 3.145,458 2.159,459 2.502,461 6.804,462 2.119,463 34.833,464 0.464,465 2.618,466 0.035,467 82.5,468 1.1,469 33,470 0.44,471 49.5,472 0.66,473 113.844,474 1.518,475 86.967,476 0.63,477 105.306,478 1.404,479 15.766,480 0.21,481 19.804,482 0.264,483 0.174,484 0.062,485 0.373,490 0.809,491 1.29,492 0.823,493 1.256,494 0.842,495 0.981,496 0.765,497 1.034,498 0.835,499 0.967,500 0.53,501 0.962,502 0.906,503 1.069,504 0.931,505 1.032,506 0.738,507 1.041,508 1.167,509 0.979,510 0.959,511 0.93,512 0.892,513 1.004,514 1.11,515 0.981,516 0.943,517 0.923,518 0.994,519 0.983,520 1.064,521 1.009,522 0.851,523 0.925,524 0.874,525 0.883,526 1.173,527 0.979,528 0.998,529 0.883,530 1.168,531 0.935,532 1.065,533 1.025,534 0.883,535 0.94,536 1.018,537 0.93,538 19,539 1.183,540 11.778,541 8.035,542 4.986,543 4.119,544 3.288,545 2.184,546 1.771,547 1.31,548 132509,549 395287,550 2.041,551 45.7,553 36,554 2,556 11,558 12,559 2,561 1.951,562 1.856,563 4.036,564 6.215,570 232.018,571 1.681,572 4.017,573 5.412,574 6.116,575 6.261,576 6.333,577 3.415,578 5.355,579 6.202,580 4.295,581 11919.7,582 11.235,583 318756,588 980.976,589 1.72,590 6.124,591 0.229,592 0.007,593 0.093,594 0.057,595 0.037,596 0.031,597 0.022,598 0.015,599 0.011,600 0.008,601 0.511,602 0.17,603 0.38,604 0.867,605 495.71,606 -0.051,608 0.155,609 -0.008,610 -0.174,611 0.074,612 0.177,613 0.111,614 0.022,615 0.073,616 0.24,617 0.034,618 0.021,619 -0.002,620 -0.041,621 -0.033,622 0.01,623 -0.044,624 -0.128,625 0.008,626 -0.066,627 -0.008,628 -0.073,629 -0.035,630 -0.033,631 -0.011,632 -0.009,633 0.008,634 -0.079,635 -0.015,636 0.029,637 -0.05,638 0.121,639 0.008,640 0.049,641 0.083,642 0.024,643 0.022,644 -0.023,645 0.032,646 -0.021,647 -0.005,648 0.011,649 -0.031,650 0.046,651 -0.035,652 0.027,653 0.021,654 5.518,655 7.193,656 0.587,657 121.817,658 1.021,659 1.13,660 -0.751,661 0.564,662 0.646,663 4.431,664 4.844,665 5.147,666 5.447,667 5.743,668 5.938,669 6.136,670 6.31,671 6.384,672 6.507,673 11.438,674 0.623,675 1082.33,676 4.431,677 6.038,678 6.921,679 7.843,680 8.747,681 9.673,682 10.586,683 11.514,684 12.431,685 13.36,686 3.6,687 1,688 2,693 2,701 14,706 10,708 24,724 138,726 30,727 4,728 83,730 146,731 51,732 24,733 10,734 14,737 9,738 15,743 2,746 12,747 3,749 13,751 26,752 25,753 3,754 6,756 2,758 6,761 2,767 63,768 22,769 11,770 24,771 2,773 5,777 0.556,778 17,780 2,781 1,788 2,789 7,792 4,804 1,805 2,807 2,808 5,809 4,810 5,813 2,815 4,819 75,820 1,824 2,826 5,827 6,828 4,829 6,831 14,833 1,839 12.3,840 5,842 6,843 4,844 2,846 40.417,847 24.25,848 15.875,849 7.847,850 4.378,851 1.411,852 0.919,853 16.3,854 15.025,855 4.625,856 5.22,857 5.69,858 6.224,859 6.776,860 7.143,861 7.631,862 7.988,863 8.23,864 8.486,865 1,866 140,867 29.7,869 14.823,870 0.006,871 8.083,872 52.576,874 46.099,876 2.583,877 193.75,881 612.097,882 234,883 104.94,885 411.157,887 2.678,888 231.322,889 1023.26,890 104.94,891 34.443,892 90.299,893 378.328,894 182.915,895 50.586,896 37.067,897 588.555,899 612.097,900 336.262,901 411.157,902 2.678,904 447.302,905 325.711,906 250.242,907 0.719,908 143.971,909 191.571,910 2.678,912 612.097,913 516.097,914 234,916 2.678,917 612.816,918 63.492,919 167.111,920 72.043,921 444.054,922 612.097,923 516.097,924 234,926 0.604,927 0.356,928 0.187,929 0.107,930 62,931 32,932 0.116,933 17,934 4,935 1.182,936 6.778,937 1034.35,938 0.182,939 44,940 463.161,943 2,944 55.292,945 22.11,946 11.434,948 516.097,949 22.832,954 4.621,956 311.182,957 1362.19,958 101,960 -9.197,962 77.237,965 -2.022,967 140.85,968 155.932,969 0.237,970 0.565,971 0.761,972 0.86,973 0.881,974 0.891,975 5.951,976 2.671,977 6.98,978 9.257,979 5.533,980 5.911,981 4.153,982 7.899,983 5.451,984 7.183,985 2.544,986 8.62,987 8.793,988 5.434,989 6.021,990 2.389,991 9.156,992 5.3,993 8.54,994 2.488,995 10.366,996 8.257,997 7.29,998 8.125,999 5.923,1000 12.224,1001 7.123,1002 9.931,1003 2.388,1004 12.176,1005 7.755,1006 7.962,1007 9.042,1008 4.269,1009 14.253,1010 7.738,1011 11.358,1012 2.261,1013 14.024,1014 7.431,1015 9.372,1016 10.745,1017 7.938,1018 16.921,1019 9.119,1020 12.809,1021 2.261,1022 15.899,1023 7.431,1024 10.36,1025 12.004,1026 5.979,1027 19.241,1028 10.056,1029 14.281,1030 2.229,1031 17.793,1032 7.363,1033 11.626,1034 13.583,1035 10.029,1036 21.792,1037 11.292,1038 3.458,1039 2.159,1040 19.701,1041 7.35,1042 12.744,1043 14.989,1044 7.623,1045 24.225,1046 12.366,1047 3.403,1048 12.901,1049 21.62,1050 6.804,1051 13.964,1052 16.528,1053 12.149,1054 26.742,1055 13.556,1056 3.403,1057 12.231,1058 23.549,1059 4.681,1060 15.134,1061 17.998,1062 9.232,1063 29.219,1064 14.69,1065 3.242,1066 12.231,1067 25.484,1068 4.681,1069 16.343,1070 19.525,1071 14.281,1072 31.729,1073 15.869,1074 3.241,1075 11.591,1076 27.426,1077 4.248,1078 17.536,1079 21.025,1080 10.823,1081 34.226,1082 17.03,1083 3.223,1084 11.591,1085 29.373,1086 4.248,1087 18.744,1088 22.55,1089 16.421,1090 36.737,1091 18.21,1092 2.933,1093 11.146,1094 31.324,1095 3.458,1096 19.947,1097 24.065,1098 12.403,1099 39.244,1100 19.385,1101 123209,1102 213315,1103 53.517,1104 89.131,1105 128.058,1106 135.104,1107 133.871,1108 127.73,1109 127.851,1110 153.257,1111 33.922,1112 400.565,1113 122.628,1114 5.825,1115 7.165,1116 7.092,1117 5.514,1118 5.458,1119 7.681,1120 5.85,1121 20.84,1122 5.35,1123 52.218,1124 1.543,1125 1.628,1126 1.613,1127 1.539,1128 1.54,1129 1.846,1130 0.409,1131 4.826,1132 1.477,1133 4.181,1134 4.185,1135 4.732,1136 4.151,1137 7.767,1138 4.121,1139 4.119,1140 4.118,1141 4.716,1142 4.101,1143 7.758,1144 4.069,1145 3.975,1146 4.003,1147 4.049,1148 3.867,1149 7.437,1150 3.819,1151 3.895,1152 3.904,1153 4.006,1154 3.865,1155 7.432,1156 3.783,1157 3.894,1158 3.881,1159 3.89,1160 3.803,1161 6.999,1162 3.783,1163 3.867,1164 3.853,1165 3.775,1166 3.691,1167 6.999,1168 3.702,1169 3.834,1170 3.852,1171 3.731,1172 3.675,1173 6.463,1174 3.681,1175 3.582,1176 3.651,1177 3.538,1178 3.46,1179 6.447,1180 3.417,1181 0.058,1182 0.062,1183 0.089,1184 0.053,1185 0.042,1186 4.825,1187 0.056,1188 5.165,1189 0.035,1190 7.414,1191 0.155,1192 4.414,1193 0.04,1194 3.458,1195 4.681,1196 2.925,1197 12.901,1198 3.35,1199 1.963,1200 1.971,1201 2.04,1202 2.078,1203 1.437,1204 2.064,1205 1.963,1206 1.971,1207 2.015,1208 2.02,1209 1.368,1210 2.041,1211 1.888,1212 1.868,1213 2.015,1214 2.011,1215 1.292,1216 2.041,1217 1.884,1218 1.866,1219 2.006,1220 2.011,1221 1.249,1222 2.014,1223 1.873,1224 1.842,1225 1.967,1226 1.987,1227 1.249,1228 1.984,1229 1.815,1230 1.774,1231 1.966,1232 1.96,1233 1.175,1234 1.975,1235 1.785,1236 1.745,1237 1.96,1238 1.953,1239 1.175,1240 1.969,1241 1.538,1242 1.524,1243 1.806,1244 1.785,1245 1.032,1246 1.796,1247 5.118,1249 6.509,1250 3.045,1251 8.085,1252 5.638,1253 9.747,1254 7.928,1255 11.455,1257 6.686,1261 6.603,1262 55.044,1263 -0.161,1264 11.621,1265 36.974,1267 -14.93,1269 -1.557,1272 85.91,1273 232.018,1274 554.346,1275 746.905,1276 843.957,1277 863.957,1278 873.957,1279 275.085,1280 10.648,1281 333.09,1282 349.85,1283 52,1284 13.865,1285 4.954,1286 4.248,1287 114.29,1288 497,1289 495,1290 0.103,1291 516.625,1292 940.51,1293 1252.33,1294 882245,1296 53.724,1297 0.716,1298 0.574,1299 54.224,1300 43.07,1301 35.57,1302 0.429,1303 0.331,1304 24.414,1305 32.371,1306 23.703,1307 19.371,1308 37.359,1309 27.502,1310 35.067,1311 0.278,1312 0.181,1313 37.841,1314 22.852,1315 28.955,1316 0.169,1317 0.099,1318 30.442,1319 16.867,1320 24.199,1321 0.105,1322 0.053,1323 25.205,1324 12.226,1325 20.241,1326 0.065,1327 0.029,1328 21.17,1329 8.899,1330 0.16,1331 244.511,1332 0.137,1333 57.503,1334 0.285,1335 418,1336 1347.94,1337 542.008,1338 1292.01,1339 1713.34,1340 1190,1341 506,1342 1162.27,1343 643.068,1344 1234.92,1345 1834.94,1346 1156,1347 5.036}
{0 CHEMBL395703,1 1.867,2 11.667,3 1.443,4 2.081,5 104.82,6 9.265,7 0.375,8 3.992,9 4.062,10 3.85,11 3.504,12 5.261,13 3.514,14 4.521,15 4.626,16 4.174,17 3.89,18 6.096,19 3.888,20 4.769,21 4.907,22 4.266,23 4.065,24 6.121,25 4.034,26 4.897,27 5.043,28 4.24,29 4.012,30 6.362,31 4.011,32 4.805,33 4.95,34 4.172,35 3.893,36 6.327,37 3.923,38 4.691,39 4.829,40 4.08,41 3.836,42 6.562,43 3.829,44 4.602,45 4.784,46 3.846,47 3.792,48 5.858,49 3.738,50 4.532,51 4.693,52 3.894,53 3.648,54 6.072,55 3.63,56 0.326,57 0.71,58 8.699,59 4.471,60 47.782,61 4.23,62 0.869,63 1.095,64 14.658,65 7.293,66 129.805,67 7.279,68 0.91,69 1.378,70 27.891,71 10.505,72 119.974,73 10.331,74 1.376,75 1.38,76 33.188,77 10.697,78 231.794,79 10.128,80 1.392,81 1.206,82 26.976,83 8.999,84 214.681,85 9.203,86 1.461,87 1.104,88 21.617,89 8.245,90 267.171,91 9.302,92 0.87,93 1.045,94 20.675,95 8.462,96 126.184,97 9.801,98 0.976,99 0.954,100 20.719,101 7.406,102 167.937,103 7.776,104 54,105 46,106 0.315,107 0.659,108 0.773,109 0.843,110 0.85,111 0.85,112 3.44,113 0.952,114 -2.33,115 -2.36,116 -2.32,118 38.3,124 4,137 7,138 2,139 3,150 2,157 2,158 1,161 1,162 6,163 1,165 4,166 4,169 2,171 4,174 6,175 1,178 1,179 15,184 5,185 1,187 4,188 1,192 14,193 1,195 1,196 1,197 2,200 2,201 1,203 3,204 7,205 3,207 2,209 2,212 6,213 1,216 6,217 3,220 8,222 1,225 6,226 2,230 1,231 5,236 2,239 4,240 1,244 2,245 12,250 1,253 2,254 1,258 1,259 12,260 3,262 1,264 1,272 1436,273 19.463,274 19.463,275 19.463,276 19.463,277 19.463,278 17.235,279 24.697,280 11.278,281 19.918,282 15.739,283 15.739,284 15.739,285 15.739,286 15.739,287 12.185,288 29.675,289 5.276,290 16.429,291 3.687,292 1.645,293 0.971,294 0.553,295 0.511,296 0.511,297 4.114,300 1,301 1,302 731,303 4.359,307 323.998,314 1.711,315 68.32,318 0.75,319 0.83,320 0.83,321 0.3,323 0.67,324 0.5,325 0.55,326 69.5,327 350,328 4.934,329 4.726,330 7.668,331 4.437,332 3.515,333 4.763,334 2.612,335 13.624,336 3.219,337 4.433,338 3.787,339 6.467,340 4.039,341 3.053,342 4.129,343 1.437,344 10.018,345 3.005,346 4.146,347 3.625,348 6.052,349 3.766,350 2.764,351 3.68,352 1.058,353 8.662,354 2.765,355 4.017,356 3.535,357 5.844,358 3.526,359 2.552,360 3.547,361 0.86,362 7.871,363 2.476,364 3.462,365 2.709,366 5.539,367 3.14,368 2.198,369 2.721,370 0.4,371 6.501,372 2.066,373 3.301,374 2.627,375 4.929,376 2.926,377 1.956,378 2.516,380 5.372,381 1.876,382 3.085,383 2.204,384 4.41,385 2.683,386 1.705,387 2.139,389 4.302,390 1.652,391 2.927,392 1.96,393 4.013,394 2.293,395 1.328,396 2.024,398 3.249,399 1.28,400 2.674,401 1.902,402 3.809,403 2.191,404 1.228,405 1.701,407 2.875,408 1.174,409 2.537,410 1.342,411 3.595,412 2.014,413 1,414 1.488,416 2.551,417 1.008,418 2.529,419 1.321,420 3.544,421 2.005,422 1,423 1.474,425 2.415,426 0.994,427 2.236,428 1.256,429 3.454,430 1.952,431 1,432 1.186,434 2.394,435 0.946,436 2,437 1.095,438 3.247,439 1.928,440 1,441 1,443 2.136,444 0.918,445 1.397,446 1,447 2.831,448 0.994,454 1,455 0.659,456 2.74,457 0.337,458 -0.649,459 -0.744,461 -1.562,462 -0.62,463 13.7,464 0.457,465 0.976,466 0.033,467 41,468 1.367,469 21.5,470 0.717,471 19.5,472 0.65,473 21.885,474 0.729,475 33.7,476 0.717,477 37.441,478 1.248,479 8.283,480 0.276,481 5.914,482 0.197,483 0.17,484 0.061,485 0.314,490 0.579,491 1.315,492 0.745,493 1.232,494 0.632,495 0.92,496 0.664,497 1.064,498 0.79,499 0.906,500 0.476,501 0.912,502 0.883,503 1.248,504 1.296,505 1.335,506 0.705,507 1.081,508 1.262,509 1.081,510 1.306,511 1.166,512 1.351,513 1.053,514 1.157,515 0.92,516 0.911,517 0.915,518 1.328,519 0.923,520 0.543,521 0.779,522 0.819,523 0.852,524 0.588,525 1.027,526 0.793,527 1.022,528 0.816,529 0.971,530 0.765,531 1.092,532 0.999,533 1.109,534 0.996,535 1.04,536 0.912,537 1.032,538 7.5,539 0.178,540 4.667,541 2.625,542 1.862,543 1.618,544 0.567,545 0.486,546 0.399,547 0.317,548 10990,549 45326,550 1.966,551 36.2,553 15,556 2,561 1.729,562 1.791,563 3.509,564 0.375,566 1,570 87.765,571 1.867,572 3.91,573 4.583,574 5.001,575 5.044,576 5.044,577 2.927,578 4.307,579 4.881,580 3.667,581 1595.16,582 8.518,583 22086.9,585 1,587 1,588 261.066,589 1.697,590 4.8,591 0.234,592 0.007,593 0.101,594 0.052,595 0.04,596 0.036,597 0.014,598 0.015,599 0.012,600 0.011,601 0.523,602 0.33,603 0.88,604 0.914,605 154.031,606 0.061,607 -0.073,608 0.165,609 -0.043,610 -0.074,611 0.021,612 0.132,613 0.062,614 0.056,615 0.117,616 0.207,617 0.019,618 -0.12,619 -0.137,620 -0.147,621 -0.133,622 0.007,623 -0.055,624 -0.26,625 -0.081,626 -0.205,627 -0.099,628 -0.234,629 -0.069,630 -0.105,631 0.014,632 0.002,633 0.003,634 -0.208,635 0.039,636 0.431,637 0.191,638 0.023,639 0.044,640 0.425,641 -0.07,642 -0.024,643 -0.092,644 0.06,645 -0.027,646 -0.05,647 -0.021,648 -0.057,649 -0.145,650 0.029,651 -0.038,652 0.026,653 -0.021,654 4.74,655 5.762,656 0.6,657 27.716,658 1.046,659 1.128,660 1.097,661 1.203,662 0.673,663 3.497,664 3.85,665 4.094,666 4.277,667 4.5,668 4.522,669 4.564,670 4.543,671 4.554,672 4.644,673 6.877,674 0.674,675 435.45,676 3.497,677 5.056,678 5.905,679 6.79,680 7.662,681 8.549,682 9.428,683 10.317,684 11.198,685 12.087,686 6.4,689 1,693 1,697 1,701 7,706 5,708 12,714 1,716 1,719 1,724 47,726 18,727 2,728 32,730 49,731 18,732 12,733 5,734 7,735 2,737 3,738 3,751 14,752 4,754 6,755 1,756 1,758 6,761 2,764 1,767 17,768 10,769 2,770 12,771 1,773 3,777 1,778 8,789 3,808 1,809 1,810 3,813 1,819 30,823 1,826 1,827 4,828 1,829 1,832 1,839 17,841 1,842 4,843 1,845 2,846 16.75,847 8.267,848 6.528,849 2.56,850 2.602,851 1.356,852 0.942,853 6.484,854 9.906,855 3.807,856 4.419,857 4.902,858 5.366,859 5.887,860 6.137,861 6.382,862 6.471,863 6.571,864 6.956,865 0.875,866 50,867 11.494,869 5.431,870 0.006,871 8.519,872 19.94,874 16.344,876 3.019,877 90.583,881 176.567,882 104.587,883 25.199,885 199.033,887 5.807,888 98.78,889 375.599,890 25.199,891 5.67,892 31.407,893 72.141,894 153.901,895 14.954,897 176.567,898 50.747,899 176.567,900 123.979,901 199.033,902 5.807,904 176.567,905 137.286,906 61.747,908 32.925,909 85.384,910 11.477,912 176.567,913 224.232,914 104.587,916 5.807,917 176.567,918 32.446,919 73.522,920 18.011,921 199.033,922 176.567,923 224.232,924 104.587,926 0.594,927 0.347,928 0.172,929 0.096,930 21,931 11,932 0.122,933 6,935 1,936 3.942,937 263.675,939 18,940 139.207,943 1,944 21.868,945 8.895,946 4.853,948 218.562,949 8.31,954 -1.156,956 60.694,957 505.386,958 44,959 -0.752,960 -3.823,962 71.226,965 -2.219,967 49.185,968 52.997,969 0.336,970 0.704,971 0.825,972 0.9,973 0.908,974 0.908,975 5.063,976 1.328,977 5.943,978 4.302,979 4.533,980 5.106,981 3.014,982 6.817,983 4.454,984 6.311,985 1.228,986 7.562,987 3.249,988 4.369,989 5.27,990 2.361,991 8.087,992 4.236,993 7.671,994 1,995 9.3,996 2.875,997 6.232,998 7.411,999 4.329,1000 11.154,1001 6.06,1002 9.075,1003 1,1004 11.113,1005 2.551,1006 6.878,1007 8.381,1008 4.506,1009 13.281,1010 6.63,1011 10.516,1012 1,1013 12.976,1014 2.415,1015 8.297,1016 10.098,1017 6.002,1018 15.982,1019 8.003,1020 11.985,1021 1,1022 14.874,1023 2.394,1024 9.279,1025 11.388,1026 6.556,1027 18.417,1028 8.897,1029 13.474,1031 16.799,1032 2.136,1033 10.553,1034 12.974,1035 7.811,1036 21.035,1037 10.112,1038 3.515,1039 -0.649,1040 18.745,1042 11.677,1043 14.398,1044 8.548,1045 23.58,1046 11.143,1047 3.053,1048 13.624,1049 20.707,1050 -1.562,1051 12.911,1052 15.944,1053 9.675,1054 26.184,1055 12.302,1056 2.764,1057 10.018,1058 22.683,1059 4.763,1060 14.097,1061 17.429,1062 10.509,1063 28.769,1064 13.393,1065 2.552,1066 8.662,1067 24.671,1068 4.129,1069 15.324,1070 18.966,1071 11.565,1072 31.374,1073 14.535,1074 2.198,1075 7.871,1076 26.667,1077 3.68,1078 16.538,1079 20.482,1080 12.452,1081 33.974,1082 15.653,1083 1.956,1084 6.501,1085 28.67,1086 3.547,1087 17.77,1088 22.021,1089 13.468,1090 36.582,1091 16.793,1092 1.705,1093 5.372,1094 30.68,1095 2.721,1096 18.999,1097 23.553,1098 14.386,1099 39.188,1100 17.925,1101 10875,1102 22265,1103 20.285,1104 31.631,1105 48.855,1106 52.188,1107 50.39,1108 48.663,1109 48.597,1110 64.736,1111 12.735,1112 143.941,1113 46.761,1114 5.934,1115 6.726,1116 7.47,1117 5.541,1118 5.515,1119 7.763,1120 4.612,1121 21.624,1122 5.219,1123 18.811,1124 1.527,1125 1.631,1126 1.575,1127 1.521,1128 1.519,1129 2.023,1130 0.398,1131 4.498,1132 1.461,1133 4.108,1134 4.097,1135 4.742,1136 4.082,1137 7.815,1138 4.004,1139 3.998,1140 4.011,1141 3.986,1142 3.88,1143 7.715,1144 3.886,1145 3.778,1146 3.812,1147 3.767,1148 3.645,1149 7.475,1150 3.623,1151 3.577,1152 3.591,1153 3.551,1154 3.35,1155 7.429,1156 3.326,1157 3.492,1158 3.467,1159 3.508,1160 3.159,1161 6.999,1162 3.233,1163 3.273,1164 3.277,1165 3.234,1166 3.017,1167 6.999,1168 3.054,1169 3.156,1170 3.206,1171 3.098,1172 2.941,1173 6.351,1174 2.923,1175 3.111,1176 3.169,1177 2.866,1178 2.875,1179 4.692,1180 2.91,1181 0.154,1182 0.148,1183 0.24,1184 0.139,1185 0.11,1186 4.934,1187 0.149,1188 4.726,1189 0.082,1190 7.668,1191 0.426,1192 4.437,1193 0.101,1194 3.515,1195 4.763,1196 2.612,1197 13.624,1198 3.219,1199 1.985,1200 1.991,1201 2.02,1202 2.101,1203 1.28,1204 2.099,1205 1.919,1206 1.903,1207 1.972,1208 2.054,1209 1.121,1210 2.045,1211 1.705,1212 1.671,1213 1.89,1214 1.912,1215 1.084,1216 1.908,1217 1.357,1218 1.371,1219 1.513,1220 1.726,1221 0.825,1222 1.623,1223 1.26,1224 1.255,1225 1.374,1226 1.519,1227 0.556,1228 1.521,1229 1.153,1230 1.105,1231 1.25,1232 1.409,1233 0.325,1234 1.429,1235 1.115,1236 1.064,1237 1.171,1238 1.376,1239 0.227,1240 1.361,1241 1.006,1242 0.979,1243 1.156,1244 1.312,1245 0.183,1246 1.27,1247 4.174,1249 5.517,1251 7.059,1253 8.685,1255 10.356,1262 9.281,1263 0.947,1264 2.362,1265 5.152,1268 1.256,1272 31.657,1273 87.765,1274 183.763,1275 215.414,1276 235.066,1277 237.066,1278 237.066,1279 108.292,1280 7.305,1281 158.83,1282 167.21,1283 18,1284 12.618,1285 4.248,1286 3.7,1287 55.296,1288 125,1289 114,1290 0.218,1291 198.39,1292 359.15,1293 475.831,1294 14446,1296 21.889,1297 0.73,1298 0.543,1299 22.139,1300 16.294,1301 14.196,1302 0.444,1303 0.317,1304 8.638,1305 12.544,1306 8.421,1307 6.891,1308 14.985,1309 10.15,1310 13.478,1311 0.293,1312 0.179,1313 14.797,1314 8.228,1315 10.791,1316 0.183,1317 0.107,1318 12.119,1319 6.291,1320 8.287,1321 0.117,1322 0.061,1323 9.392,1324 4.314,1325 6.701,1326 0.075,1327 0.033,1328 7.705,1329 2.937,1330 0.342,1331 99.657,1332 0.222,1333 28.23,1334 0.596,1335 156,1336 652.782,1337 220.361,1338 626.934,1339 808.21,1340 570,1341 183,1342 536.592,1343 253.576,1344 567.516,1345 824.71,1346 529,1347 5.357}
{0 CHEMBL4,1 1.735,2 8.923,3 1.636,4 2.676,5 94.935,6 7.857,7 0.207,8 3.964,9 4.071,10 3.568,11 3.422,12 5.106,13 3.442,14 4.555,15 4.731,16 3.994,17 3.854,18 5.728,19 3.869,20 4.836,21 5.018,22 4.176,23 4.092,24 5.991,25 4.08,26 4.982,27 5.178,28 4.212,29 4.128,30 6.282,31 4.095,32 4.944,33 5.152,34 4.136,35 4.034,36 6.22,37 4.017,38 4.821,39 5.002,40 3.97,41 3.894,42 6.116,43 3.88,44 4.791,45 5.009,46 3.732,47 3.737,48 6.208,49 3.677,50 4.56,51 4.821,52 3.211,53 3.502,54 5.605,55 3.371,56 0.144,57 0.753,58 8.894,59 4.119,60 15.839,61 5.088,62 0.515,63 1.241,64 19.333,65 6.438,66 50.845,67 8.604,68 0.685,69 1.6,70 26.077,71 9.385,72 47.122,73 12.194,74 1.071,75 1.683,76 32.636,77 11.617,78 130.732,79 15.145,80 1.072,81 1.722,82 32.679,83 10.575,84 130.613,85 13.42,86 0.915,87 1.535,88 27.661,89 9.015,90 97.103,91 10.743,92 1.274,93 1.237,94 29.671,95 8.427,96 182.795,97 10.946,98 0.795,99 0.994,100 24.524,101 7.211,102 95.268,103 9.733,104 38,105 44,106 0.3,107 0.641,108 0.807,109 0.837,110 0.837,111 0.837,112 3.306,113 0.889,114 -2.38,115 -2.41,116 -2.36,118 39.1,119 1,123 1,124 5,126 1,133 1,134 1,137 1,138 1,139 4,149 1,150 1,158 1,161 1,162 1,163 1,166 6,169 1,171 1,174 1,178 3,179 5,180 2,187 1,188 1,191 4,192 3,195 2,197 1,200 2,201 1,203 1,204 2,209 1,212 1,213 1,216 2,217 5,218 1,222 1,230 2,231 1,232 1,234 1,244 1,248 1,258 1,259 2,272 836,273 17.137,274 17.137,275 17.137,276 17.137,277 17.137,278 15.977,279 26.977,280 9.612,281 17.596,282 14.251,283 14.251,284 14.251,285 14.251,286 14.251,287 12.223,288 39.581,289 4.516,290 15.005,291 3.788,292 1.815,293 0.859,294 0.685,295 0.685,296 0.685,297 3.997,299 1,300 1,301 1,302 501,303 2.915,307 210.135,311 250.17,313 104.165,314 1.473,315 45.653,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 59,327 232,328 4.727,329 3.819,330 7.164,331 4.386,332 3.42,333 4.404,334 1.437,335 12.559,336 3.314,337 4.29,338 3.551,339 6.632,340 3.959,341 2.992,342 3.724,343 0.86,344 10.515,345 2.891,346 3.878,347 3.302,348 6.272,349 3.667,350 2.708,351 3.132,352 0.8,353 9.141,354 2.57,355 3.681,356 3.143,357 5.812,358 3.42,359 2.472,360 2.914,361 0.8,362 7.747,363 2.353,364 3.434,365 2.787,366 5.341,367 3.238,368 2.279,369 2.473,370 0.8,371 6.442,372 2.162,373 3.226,374 2.493,375 5.179,376 2.898,377 1.96,378 2.354,380 6.059,381 1.83,382 3.021,383 2.364,384 4.842,385 2.745,386 1.822,387 2.055,389 5.241,390 1.668,391 2.763,392 2.176,393 4.627,394 2.511,395 1.577,396 1.762,398 4.367,399 1.453,400 2.706,401 1.712,402 4.189,403 2.286,404 1.293,405 1.648,407 3.368,408 1.264,409 2.031,410 1.379,411 3.512,412 1.967,413 1,414 1,416 2.275,417 0.965,418 2,419 1.146,420 3.414,421 1.562,422 0.617,423 0.76,425 1.596,426 0.571,427 1.493,428 0.905,429 3.238,430 1.149,431 0.174,432 0.222,434 0.439,435 0.164,436 1.14,437 0.507,438 2.978,439 0.935,440 -0.019,441 -0.021,443 -0.046,444 -0.018,445 0.963,446 0.325,447 2.771,448 0.697,449 -0.238,450 -0.267,452 -0.651,453 -0.219,454 0.672,455 0.142,456 2.457,457 0.452,458 -0.498,459 -0.55,461 -1.327,462 -0.464,463 11.819,464 0.455,465 0.878,466 0.034,467 30.25,468 1.163,469 12,470 0.462,471 18.25,472 0.702,473 24.281,474 0.934,475 29.581,476 0.643,477 25.29,478 0.973,479 6.043,480 0.232,481 6.337,482 0.244,483 0.193,485 0.482,488 1,490 0.722,491 1.381,492 0.705,493 1.232,494 0.586,495 1.016,496 0.813,497 0.995,498 0.751,499 0.815,500 0.455,501 0.742,502 0.802,503 0.963,504 0.866,505 1.011,506 0.671,507 0.955,508 0.715,509 1.032,510 0.805,511 1.067,512 0.711,513 0.997,514 1.087,515 1.175,516 0.926,517 1.006,518 0.985,519 0.933,520 1.43,521 1.374,522 1.286,523 1.273,524 1.466,525 1.243,526 1.154,527 0.966,528 1.209,529 0.983,530 1.296,531 1.091,532 1.176,533 1.016,534 1.265,535 0.997,536 1.233,537 1.13,538 5.5,539 0.058,540 3.778,541 2.625,542 2.778,543 1.479,544 1.051,545 0.45,546 0.263,547 0.167,548 6643,549 20121,550 2.055,551 43.5,553 15,554 1,556 1,558 3,561 1.699,562 1.857,563 3.091,564 -0.256,565 1,566 1,570 79.832,571 1.735,572 3.709,573 4.665,574 4.839,575 4.839,576 4.839,577 2.716,578 3.844,579 4.668,580 3.219,581 1046.32,582 8.135,583 12073,585 1,587 1,588 254.084,589 1.526,590 4.598,591 0.19,592 0.007,593 0.086,594 0.051,595 0.056,596 0.032,597 0.028,598 0.017,599 0.016,600 0.014,601 0.497,602 0.5,603 1,604 0.85,605 122.609,606 -0.069,607 -0.269,608 0.049,609 -0.113,610 -0.041,611 -0.023,612 -0.058,613 0.038,614 0.115,615 0.174,616 0.106,617 0.209,618 -0.005,619 0.09,620 0.016,621 0.004,622 0.01,623 0.02,624 0.192,625 -0.079,626 0.141,627 -0.045,628 0.146,629 0.01,630 0.012,631 -0.03,632 0.074,633 0.001,634 0.035,635 0.048,636 -0.184,637 -0.13,638 -0.295,639 -0.27,640 -0.184,641 -0.309,642 0.043,643 0.003,644 -0.165,645 -0.046,646 0.052,647 -0.146,648 -0.129,649 0.045,650 -0.215,651 -0.03,652 -0.164,653 -0.127,654 2.982,655 6.984,656 0.731,657 20.166,658 1.023,659 1.139,660 1.146,661 1.314,662 0.644,663 3.401,664 3.807,665 4.159,666 4.511,667 4.868,668 5.069,669 5.278,670 5.403,671 5.557,672 5.568,673 5.179,674 0.631,675 361.41,676 3.401,677 4.99,678 5.889,679 6.819,680 7.743,681 8.681,682 9.615,683 10.557,684 11.496,685 12.439,686 6.5,689 1,692 2,701 1,706 5,708 6,713 1,720 2,722 1,723 1,724 46,726 9,727 1,728 29,730 49,731 18,732 6,733 5,734 1,735 4,737 4,738 8,743 1,746 1,749 1,751 10,752 8,754 3,758 2,759 1,761 3,763 1,764 1,765 1,767 20,768 8,769 1,770 8,773 3,777 0.5,778 4,789 4,793 3,795 1,800 1,803 1,806 1,808 1,810 2,815 2,817 1,819 26,826 1,827 5,829 1,831 1,832 3,838 1,839 8.7,841 1,842 2,844 1,846 14,847 8.943,848 5.528,849 2.815,850 1.821,851 1.232,852 0.961,853 4.258,854 9.667,855 3.584,856 4.167,857 4.76,858 5.331,859 5.906,860 6.32,861 6.721,862 7.023,863 7.349,864 7.448,865 1,866 51,867 9.807,869 4.5,870 0.006,871 8.103,872 18.147,874 15.539,876 2.603,877 67.667,881 223.651,882 81.053,883 9.373,885 103.973,886 14.96,888 81.053,889 327.624,890 24.333,891 17.222,892 22.063,893 9.476,894 99.017,895 46.622,896 26.731,897 211.88,899 223.651,900 90.426,901 118.933,904 203.298,905 139.286,908 24.965,909 65.461,912 238.611,913 113.346,914 81.053,917 223.651,918 45.308,919 45.118,921 118.933,922 223.651,923 128.306,924 81.053,926 0.604,927 0.366,928 0.204,929 0.125,930 24,931 12,932 0.041,933 2,934 3,935 1.263,936 3.505,937 244.222,938 0.316,939 18,940 118.211,944 17.465,945 6.339,946 2.747,948 128.306,949 1.152,954 0.638,956 42.683,957 433.01,958 35,962 23.989,963 1.343,965 -2.361,967 47.08,968 52.409,969 0.314,970 0.671,971 0.845,972 0.876,973 0.876,974 0.876,975 4.902,976 1.577,977 5.927,978 5.241,979 4.489,980 4.852,981 2.25,982 6.843,983 4.394,984 6.121,985 1.293,986 7.556,987 4.367,988 4.29,989 4.856,990 0.766,991 7.945,992 4.163,993 7.459,994 1,995 9.285,996 3.368,997 6.184,998 7.008,999 2.485,1000 11.115,1001 6.013,1002 8.829,1003 0.617,1004 11.07,1005 2.275,1006 6.758,1007 7.815,1008 0.653,1009 13.03,1010 6.566,1011 10.233,1012 0.174,1013 12.891,1014 1.596,1015 8.187,1016 9.523,1017 3.006,1018 15.752,1019 7.955,1020 11.661,1021 -0.019,1022 14.737,1023 0.439,1024 9.107,1025 10.688,1026 0.482,1027 18.011,1028 8.855,1029 13.11,1030 -0.238,1031 16.603,1032 -0.046,1033 10.374,1034 12.241,1035 3.648,1036 20.586,1037 10.086,1038 3.42,1039 -0.498,1040 18.483,1041 -0.651,1042 11.451,1043 13.569,1044 0.337,1045 22.992,1046 11.141,1047 2.992,1048 12.559,1049 20.375,1050 -1.327,1051 12.666,1052 15.067,1053 4.34,1054 25.52,1055 12.324,1056 2.708,1057 10.515,1058 22.277,1059 4.404,1060 13.815,1061 16.47,1062 0.229,1063 27.989,1064 13.447,1065 2.472,1066 9.141,1067 24.187,1068 3.724,1069 15.018,1070 17.95,1071 5.051,1072 30.506,1073 14.62,1074 2.279,1075 7.747,1076 26.104,1077 3.132,1078 16.2,1079 19.389,1080 0.153,1081 33.004,1082 15.775,1083 1.96,1084 6.442,1085 28.026,1086 2.914,1087 17.405,1088 20.864,1089 5.77,1090 35.521,1091 16.949,1092 1.822,1093 6.059,1094 29.954,1095 2.473,1096 18.605,1097 22.321,1098 0.1,1099 38.032,1100 18.12,1101 6478,1102 11434,1103 18.729,1104 29.625,1105 45.537,1106 47.37,1107 47.619,1108 44.734,1109 44.626,1110 52.896,1111 9.393,1112 139.495,1113 42.413,1114 5.727,1115 5.819,1116 6.579,1117 5.495,1118 5.42,1119 7.404,1120 2.873,1121 20.301,1122 5.314,1123 15.497,1124 1.57,1125 1.633,1126 1.642,1127 1.543,1128 1.539,1129 1.824,1130 0.324,1131 4.81,1132 1.463,1133 4.078,1134 4.102,1135 4.053,1136 3.964,1137 8.201,1138 3.982,1139 3.808,1140 3.877,1141 3.713,1142 3.613,1143 7.48,1144 3.628,1145 3.585,1146 3.624,1147 3.539,1148 3.435,1149 7.422,1150 3.449,1151 3.566,1152 3.587,1153 3.45,1154 3.395,1155 6.351,1156 3.402,1157 3.201,1158 3.282,1159 3.111,1160 2.946,1161 4.802,1162 2.962,1163 3.111,1164 3.206,1165 2.912,1166 2.941,1167 4.378,1168 2.91,1169 3.049,1170 3.076,1171 2.866,1172 2.771,1173 4.216,1174 2.782,1175 2.993,1176 3.046,1177 2.834,1178 2.729,1179 4.126,1180 2.764,1181 0.163,1182 0.132,1183 0.247,1184 0.151,1185 0.118,1186 4.727,1187 0.152,1188 3.819,1189 0.05,1190 7.164,1191 0.433,1192 4.386,1193 0.114,1194 3.42,1195 4.404,1196 1.437,1197 12.559,1198 3.314,1199 1.991,1200 1.973,1201 2.059,1202 2.128,1203 1.323,1204 2.108,1205 1.755,1206 1.688,1207 1.957,1208 1.979,1209 1.231,1210 1.977,1211 1.549,1212 1.493,1213 1.774,1214 1.731,1215 0.991,1216 1.745,1217 1.489,1218 1.478,1219 1.591,1220 1.683,1221 0.825,1222 1.645,1223 1.161,1224 1.066,1225 1.513,1226 1.444,1227 0.688,1228 1.467,1229 1.153,1230 1.064,1231 1.505,1232 1.376,1233 0.598,1234 1.429,1235 0.966,1236 0.901,1237 1.34,1238 1.273,1239 0.46,1240 1.293,1241 0.852,1242 0.838,1243 1.066,1244 1.217,1245 0.255,1246 1.146,1247 4.078,1249 5.46,1251 7.054,1253 8.753,1255 10.513,1257 3.888,1259 14.984,1262 9.32,1263 3.203,1265 5.853,1267 -0.158,1268 5.817,1272 29.048,1273 79.832,1274 170.597,1275 214.574,1276 222.574,1277 222.574,1278 222.574,1279 64.289,1280 7.846,1281 75.01,1282 75.01,1283 24,1284 12.933,1285 3.322,1286 2.807,1287 37.706,1288 82,1289 94,1290 0.242,1291 173.861,1292 318.01,1293 415.98,1294 24502,1295 2.2,1296 18.585,1297 0.715,1298 0.564,1299 17.715,1300 14.659,1301 12.38,1302 0.427,1303 0.296,1304 8.4,1305 11.639,1306 8.205,1307 6.71,1308 11.969,1309 8.591,1310 11.937,1311 0.271,1312 0.158,1313 11.387,1314 6.967,1315 10.321,1316 0.164,1317 0.082,1318 9.97,1319 5.192,1320 8.974,1321 0.1,1322 0.041,1323 8.513,1324 3.689,1325 7.953,1326 0.062,1327 0.022,1328 7.51,1329 2.868,1330 0.36,1331 79.595,1332 0.231,1333 24.114,1334 0.731,1335 146,1336 526.403,1337 166.816,1338 467.259,1339 620.82,1340 434,1341 180,1342 445.19,1343 202.603,1344 439.472,1345 658.56,1346 412,1347 4.921}
{0 CHEMBL419662,1 1.405,2 10.632,3 6.665,4 44.425,5 142.852,6 7.626,7 0.537,8 4.314,9 4.4,10 3.858,11 3.867,12 5.571,13 3.854,14 4.806,15 4.946,16 4.302,17 4.303,18 6.086,19 4.275,20 5.102,21 5.227,22 4.554,23 4.561,24 6.393,25 4.532,26 5.361,27 5.508,28 4.697,29 4.687,30 6.751,31 4.654,32 5.492,33 5.644,34 4.64,35 4.724,36 6.882,37 4.668,38 5.508,39 5.718,40 4.432,41 4.671,42 6.616,43 4.567,44 5.415,45 5.637,46 4.407,47 4.55,48 6.594,49 4.46,50 5.392,51 5.594,52 4.293,53 4.398,54 6.705,55 4.346,56 0.194,57 0.838,58 13.562,59 6.953,60 37.066,61 7.872,62 0.38,63 1.377,64 23.791,65 11.666,66 87.499,67 14.477,68 0.453,69 1.836,70 31.469,71 15.442,72 96.306,73 18.709,74 0.853,75 2.28,76 43.813,77 19.143,78 167.269,79 23.481,80 1.302,81 2.515,82 52.271,83 20.961,84 240.783,85 25.039,86 0.991,87 2.568,88 56.41,89 21.897,90 196.089,91 28.102,92 0.704,93 2.339,94 51.59,95 20.036,96 126.326,97 26.386,98 1.445,99 2.105,100 54.118,101 17.397,102 272.38,103 20.716,104 213,105 64,106 0.22,107 0.535,108 0.653,109 0.684,110 0.693,111 0.693,112 3.669,113 0.892,114 -5.3,115 -5.19,116 -4.85,118 44.1,119 6,121 2,137 4,138 12,139 4,150 2,158 2,161 2,162 25,163 2,166 2,169 2,171 6,174 36,175 2,179 2,183 2,184 12,185 2,187 38,188 4,192 4,195 2,196 2,197 18,198 2,200 38,201 6,204 6,207 2,208 2,209 18,212 37,213 6,217 6,222 14,225 26,226 10,231 10,236 18,239 18,240 6,245 6,250 16,253 18,254 4,259 4,264 14,267 17,268 2,269 1,272 2432,273 24.018,274 24.018,275 24.018,276 24.018,277 24.018,278 20.966,279 21.975,280 13.125,281 24.135,282 20.055,283 20.055,284 20.055,285 20.055,286 20.055,287 15.228,288 15.206,289 6.032,290 20.312,291 4.683,292 2.669,293 1.912,294 1.714,295 1.655,296 1.655,297 4.346,302 842,303 4.472,307 381.579,311 324.738,314 1.584,315 73.098,318 0.5,319 0.67,320 0.67,321 0.6,322 0.5,323 0.5,324 0.5,325 0.56,326 84,327 404,328 4.825,329 3.703,330 7.142,331 4.409,332 3.418,333 4.784,334 1.437,335 12.395,336 3.387,337 4.782,338 3.697,339 7.126,340 4.365,341 3.377,342 4.726,343 1.437,344 12.327,345 3.335,346 4.363,347 3.365,348 6.629,349 4.012,350 3.019,351 3.981,353 10.531,354 2.994,355 4.024,356 3.344,357 6.389,358 3.704,359 2.707,360 3.537,362 9.488,363 2.69,364 4.016,365 3.132,366 6.388,367 3.704,368 2.707,369 3.457,371 9.484,372 2.69,373 3.937,374 2.714,375 6.002,376 3.524,377 2.542,378 3.42,380 8.277,381 2.493,382 3.671,383 2.624,384 5.887,385 3.237,386 2.269,387 3.119,389 7.753,390 2.19,391 3.437,392 2.612,393 5.46,394 3.055,395 2.079,396 2.778,398 6.483,399 2.022,400 3.197,401 2.386,402 4.963,403 2.879,404 1.885,405 2.33,407 4.977,408 1.854,409 3.197,410 2.256,411 4.943,412 2.85,413 1.851,414 2.319,416 4.907,417 1.832,418 2.988,419 1.823,420 4.629,421 2.639,422 1.638,423 2.11,425 4.594,426 1.635,427 2.772,428 1.701,429 4.433,430 2.437,431 1.439,432 1.837,434 3.954,435 1.429,436 2.507,437 1.603,438 4.119,439 2.195,440 1.217,441 1.48,443 3.058,444 1.178,445 2.406,446 1.277,447 4.015,448 1.993,449 1.027,450 1.352,452 2.749,453 0.982,454 1.743,455 0.94,456 3.673,457 1.425,458 0.484,459 0.578,461 1.29,462 0.45,463 17.667,464 0.465,465 1.576,466 0.041,467 47.5,468 1.25,469 25,470 0.658,471 22.5,472 0.592,473 43.633,474 1.148,475 41.733,476 0.614,477 48.256,478 1.27,479 9.007,480 0.237,481 8.675,482 0.228,483 0.321,485 0.566,490 0.911,491 0.901,492 0.843,493 0.892,494 0.91,495 0.858,496 0.417,497 0.833,498 0.546,499 0.824,500 0.413,501 0.736,502 0.589,503 1.074,504 0.748,505 1.066,506 0.629,507 0.968,508 0.719,509 1.126,510 0.826,511 1.114,512 0.689,513 1.018,514 1.083,515 1.154,516 1.177,517 1.163,518 1.045,519 1.188,520 0.924,521 1.064,522 1.091,523 1.079,524 0.929,525 1.117,526 0.76,527 1.124,528 0.888,529 1.119,530 0.748,531 1.05,532 1.649,533 0.808,534 1.225,535 0.802,536 1.701,537 0.889,538 9,539 0.545,540 5.778,541 5.125,542 4.862,543 2.667,544 2.023,545 0.885,546 0.689,547 0.476,548 17541,549 54593,550 1.918,551 44.1,552 20,553 4,556 6,561 1.795,562 1.676,563 3.376,564 2.946,570 95.534,571 1.405,572 3.419,573 4.175,574 4.374,575 4.433,576 4.433,577 2.676,578 4.037,579 5.224,580 3.573,581 2512.16,582 9.242,583 38805.9,588 413.947,589 1.36,590 5.1,591 0.22,592 0.013,593 0.09,594 0.064,595 0.055,596 0.034,597 0.032,598 0.014,599 0.013,600 0.01,601 0.545,603 0.75,604 1.011,605 204.501,606 -0.141,607 0.205,608 -0.039,609 0.197,610 -0.168,611 0.121,612 0.169,613 0.242,614 0.284,615 0.254,616 0.183,617 0.289,618 0.091,620 0.085,621 0.005,622 0.049,623 0.037,624 0.125,625 -0.089,626 0.074,627 -0.082,628 0.137,629 -0.029,630 -0.044,631 -0.138,632 -0.232,633 -0.159,634 -0.027,635 -0.227,636 -0.098,637 -0.078,638 -0.128,639 -0.083,640 -0.115,641 -0.108,642 0.01,643 -0.146,644 0.08,645 -0.125,646 0.039,647 -0.027,648 -0.303,649 0.14,650 -0.148,651 0.134,652 -0.287,653 0.05,654 3.071,655 5.146,656 0.526,657 34.737,658 1.013,659 1.116,660 4.073,661 16.589,662 0.663,663 3.738,664 4.174,665 4.533,666 4.89,667 5.182,668 5.389,669 5.613,670 5.673,671 5.79,672 5.958,673 6.773,674 0.641,675 518.6,676 3.738,677 5.352,678 6.26,679 7.206,680 8.135,681 9.084,682 10.021,683 10.969,684 11.91,685 12.857,700 4,701 4,706 12,708 22,716 2,721 4,724 68,726 24,727 4,728 41,730 71,731 30,732 20,733 16,734 4,735 2,737 4,738 6,743 6,751 22,752 8,753 2,754 2,758 2,761 2,767 30,768 8,769 6,770 8,777 0.5,778 8,789 4,793 2,808 2,810 2,815 6,819 38,826 6,831 2,839 11.8,841 6,842 2,846 22.667,847 14.033,848 8.111,849 4.112,850 4.771,851 1.553,852 0.893,853 7.017,854 13.404,855 4.007,856 4.754,857 5.466,858 6.187,859 6.868,860 7.381,861 7.923,862 8.37,863 8.859,864 9.331,865 0.857,866 80,867 14.331,869 6.609,870 0.006,871 8.202,872 25.951,874 21.951,876 2.702,877 102.667,881 282.506,882 128.452,885 306.39,888 128.452,889 588.896,891 52.951,893 37.905,894 308.21,895 35.776,897 282.506,899 282.506,900 128.452,901 306.39,904 282.506,905 306.39,908 52.951,909 75.501,912 282.506,913 306.39,914 128.452,917 282.506,918 37.596,919 90.856,921 306.39,922 282.506,923 306.39,924 128.452,926 0.613,927 0.38,928 0.219,929 0.122,930 32,931 20,932 0.07,933 5,934 2,935 1.2,936 4.125,937 413.629,938 0.2,939 20,940 157.421,944 27.551,945 9.678,946 4.254,947 1.435,948 306.39,949 6.747,954 0.244,956 256.1,957 717.349,958 54,962 24.292,965 -2.809,967 68.872,968 75.903,969 0.231,970 0.562,971 0.686,972 0.718,973 0.728,974 0.728,975 5.316,976 2.079,977 6.33,978 7.753,979 4.86,980 5.442,981 2.225,982 7.284,983 4.833,984 6.612,985 1.885,986 7.993,987 6.483,988 4.796,989 5.635,991 8.456,992 4.751,993 7.992,994 1.851,995 9.752,996 4.977,997 6.603,998 7.839,999 2.893,1000 11.628,1001 6.559,1002 9.407,1003 1.638,1004 11.562,1005 4.907,1006 7.273,1007 8.78,1009 13.561,1010 7.21,1011 10.85,1012 1.439,1013 13.404,1014 4.594,1015 8.656,1016 10.558,1017 3.588,1018 16.287,1019 8.594,1020 12.314,1021 1.217,1022 15.267,1023 3.954,1024 9.633,1025 11.83,1027 18.54,1028 9.554,1029 13.795,1030 1.027,1031 17.145,1032 3.058,1033 10.882,1034 13.457,1035 4.299,1036 21.113,1037 10.8,1038 3.418,1039 0.484,1040 19.035,1041 2.749,1042 11.989,1043 14.882,1045 23.505,1046 11.893,1047 3.377,1048 12.395,1049 20.935,1050 1.29,1051 13.199,1052 16.456,1053 5.016,1054 26.028,1055 13.096,1056 3.019,1057 12.327,1058 22.843,1059 4.784,1060 14.362,1061 17.951,1063 28.482,1064 14.247,1065 2.707,1066 10.531,1067 24.757,1068 4.726,1069 15.564,1070 19.508,1071 5.737,1072 30.99,1073 15.44,1074 2.707,1075 9.488,1076 26.677,1077 3.981,1078 16.753,1079 21.035,1081 33.472,1082 16.617,1083 2.542,1084 9.484,1085 28.601,1086 3.537,1087 17.957,1088 22.589,1089 6.46,1090 35.978,1091 17.812,1092 2.269,1093 8.277,1094 30.529,1095 3.457,1096 19.158,1097 24.131,1099 38.474,1100 19.002,1101 17467,1102 30974,1103 24.745,1104 45.057,1105 64.926,1106 66.719,1107 70.497,1108 63.976,1109 63.957,1110 84.409,1111 5.747,1112 206.217,1113 62.917,1114 5.501,1115 5.703,1116 6.142,1117 5.409,1118 5.418,1119 7.784,1120 2.873,1121 20.395,1122 5.387,1123 30.601,1124 1.584,1125 1.627,1126 1.719,1127 1.56,1128 1.56,1129 2.059,1130 0.14,1131 5.03,1132 1.535,1133 4.191,1134 4.2,1135 4.164,1136 4.155,1137 7.477,1138 4.155,1139 4.063,1140 4.07,1141 4.041,1142 4.021,1143 7.472,1144 4.024,1145 3.712,1146 3.743,1147 3.652,1148 3.632,1149 6.532,1150 3.632,1151 3.575,1152 3.635,1153 3.445,1154 3.46,1155 6.522,1156 3.445,1157 3.547,1158 3.577,1159 3.444,1160 3.404,1161 6.401,1162 3.405,1163 3.499,1164 3.52,1165 3.428,1166 3.365,1167 6.401,1168 3.375,1169 3.213,1170 3.211,1171 3.119,1172 2.992,1173 6.351,1174 3.004,1175 3.196,1176 3.192,1177 3.107,1178 2.928,1179 6.349,1180 2.961,1181 0.118,1182 0.09,1183 0.174,1184 0.108,1185 0.083,1186 4.825,1187 0.117,1188 3.703,1189 0.035,1190 7.142,1191 0.302,1192 4.409,1193 0.083,1194 3.418,1195 4.784,1196 1.437,1197 12.395,1198 3.387,1199 2.146,1200 2.137,1201 2.198,1202 2.191,1203 1.433,1204 2.193,1205 2.049,1206 2.042,1207 2.11,1208 2.109,1209 1.356,1210 2.107,1211 1.706,1212 1.676,1213 1.911,1214 1.831,1215 1.121,1216 1.858,1217 1.595,1218 1.538,1219 1.851,1220 1.758,1221 1.03,1222 1.793,1223 1.511,1224 1.478,1225 1.68,1226 1.692,1227 0.816,1228 1.683,1229 1.456,1230 1.43,1231 1.657,1232 1.634,1233 0.76,1234 1.635,1235 1.117,1236 1.078,1237 1.417,1238 1.377,1239 0.474,1240 1.354,1241 1.042,1242 1.031,1243 1.417,1244 1.373,1245 0.469,1246 1.313,1247 4.419,1249 5.826,1251 7.433,1253 9.145,1255 10.915,1257 10.941,1262 62.257,1267 -0.44,1272 43.62,1273 95.534,1274 232.489,1275 283.908,1276 297.418,1277 301.418,1278 301.418,1279 147.678,1280 8.633,1281 155.52,1282 155.52,1283 24,1284 13.349,1285 4.644,1286 3.807,1287 67.155,1288 157,1289 124,1290 0.216,1291 265.808,1292 473.16,1293 640.332,1294 64919,1296 28.375,1297 0.747,1298 0.578,1299 28.375,1300 21.964,1301 17.682,1302 0.431,1303 0.297,1304 12.077,1305 17.146,1306 11.533,1307 9.66,1308 17.682,1309 12.196,1310 17.602,1311 0.275,1312 0.161,1313 17.602,1314 10.317,1315 14.632,1316 0.159,1317 0.078,1318 14.632,1319 7.153,1320 13.332,1321 0.101,1322 0.041,1323 13.332,1324 5.46,1325 10.654,1326 0.06,1327 0.022,1328 10.654,1329 3.852,1330 0.328,1331 110.712,1332 0.201,1333 33.13,1334 0.627,1335 210,1336 642.369,1337 227.271,1338 622.4,1339 832.34,1340 570,1341 261,1342 605.455,1343 277.167,1344 618.93,1345 920.53,1346 580,1347 5.824}
{0 CHEMBL421459,1 1.6,2 6.529,3 4.282,4 18.332,5 67.562,6 10.684,7 0.667,8 3.333,9 3.389,10 3.189,11 3.055,12 4.637,13 3.027,14 3.752,15 3.82,16 3.598,17 3.427,18 5.224,19 3.376,20 4.006,21 4.123,22 3.611,23 3.53,24 5.295,25 3.441,26 3.974,27 4.116,28 3.712,29 3.405,30 5.319,31 3.317,32 3.841,33 3.998,34 3.407,35 3.25,36 5.144,37 3.162,38 3.701,39 3.833,40 3.279,41 3.08,42 5.084,43 2.978,44 3.459,45 3.606,46 3.078,47 2.694,48 4.898,49 2.62,50 3.002,51 3.099,52 3.012,53 2.007,54 5.038,55 2.035,56 0.086,57 0.247,58 1.702,59 1.79,60 12.318,61 1.943,62 0.186,63 0.38,64 2.757,65 2.877,66 31.671,67 3.328,68 0.251,69 0.498,70 11.466,71 4.522,72 30.714,73 5.101,74 0.325,75 0.507,76 12.513,77 4.641,78 45.006,79 5.049,80 0.254,81 0.443,82 11.138,83 4.242,84 36.132,85 4.852,86 0.259,87 0.358,88 11.727,89 3.692,90 31.781,91 3.868,92 0.264,93 0.285,94 9.745,95 3.08,96 43.234,97 2.934,98 0.376,99 0.151,100 9.461,101 2.019,102 45.939,103 1.712,104 18,105 25,106 0.317,107 0.54,108 0.685,109 0.841,110 0.857,111 0.857,112 2.908,113 0.936,114 -5.54,115 -5.41,116 -5.05,118 52,137 7,138 3,139 2,150 1,158 1,161 1,162 9,163 1,166 1,169 1,171 1,174 17,175 2,179 2,184 2,187 12,188 2,192 2,197 2,200 11,201 2,204 2,209 2,212 8,213 2,217 2,222 2,225 6,239 3,240 3,245 3,250 3,272 301,273 11.016,274 11.016,275 11.016,276 11.016,277 11.016,278 9.41,279 5.48,280 6.478,281 11.294,282 8.889,283 8.889,284 8.889,285 8.889,286 8.889,287 6.473,288 3.574,289 3.085,290 9.415,291 3.044,292 1.922,293 1.186,294 0.4,295 0.32,296 0.32,297 3.556,298 2,300 1,301 1,302 226,303 2.345,307 105.953,314 1.087,315 20.721,318 0.75,319 1,320 1,321 0.4,323 1,324 1,325 0.74,326 36.667,327 111,328 4.357,329 3.579,330 6.246,331 3.966,332 2.979,333 4.037,334 1.437,335 9.45,336 2.942,337 4.072,338 3.165,339 5.866,340 3.661,341 2.687,342 3.639,344 8.055,345 2.608,346 3.667,347 2.682,348 5.272,349 3.238,350 2.305,351 3.024,353 6.629,354 2.068,355 3.232,356 2.623,357 4.618,358 2.707,359 1.879,360 2.481,362 4.963,363 1.515,364 3.042,365 1.985,366 4.298,367 2.551,368 1.562,369 2.233,371 3.972,372 1.441,373 2.567,374 1.32,375 3.694,376 2.057,377 1.064,378 1.58,380 2.71,381 1.045,382 2.526,383 1.076,384 3.435,385 2.005,386 1,387 1.474,389 2.322,390 0.994,391 1,392 0.435,393 2.651,394 0.538,395 -0.347,396 -0.445,398 -0.891,399 -0.229,400 0.975,401 0.263,402 2.382,403 0.473,404 -0.411,405 -0.537,407 -1.088,408 -0.282,409 0.763,410 0.173,411 2,412 0.278,413 -0.644,414 -0.803,416 -1.509,417 -0.53,418 0.617,419 -0.499,420 2,421 0.123,422 -0.8,423 -1.027,425 -2,426 -0.76,427 0.409,428 -0.696,429 1.552,430 -0.018,431 -1,432 -1.43,434 -2.243,435 -0.981,436 0.141,437 -1.038,438 1.357,439 -0.367,440 -1.15,441 -1.609,443 -3.114,444 -1.039,445 -0.232,446 -1.235,447 1.173,448 -0.701,449 -1.532,450 -2.036,452 -4.072,453 -1.212,454 -0.477,455 -1.566,456 1,457 -0.78,458 -1.679,459 -2.143,461 -5.241,462 -1.679,463 8.595,464 0.506,465 0.527,466 0.031,467 23.5,468 1.382,469 13.5,470 0.794,471 10,472 0.588,473 10.676,474 0.628,475 17.205,476 0.688,477 15.144,478 0.891,479 4.807,480 0.283,481 3.251,482 0.191,483 0.244,485 0.349,490 0.673,491 0.799,492 0.495,493 0.618,494 0.732,495 0.656,496 0.454,497 0.986,498 0.591,499 0.778,500 0.391,501 0.85,502 0.861,503 1.088,504 1.097,505 1.13,506 0.783,507 1.153,508 0.909,509 1.037,510 0.638,511 0.826,512 1.02,513 0.937,514 0.956,515 0.998,516 0.916,517 0.93,518 0.92,519 0.953,520 1.322,521 1.14,522 1.444,523 1.245,524 1.194,525 1.224,526 1.823,527 0.981,528 1.331,529 0.945,530 1.931,531 0.924,532 0.946,533 0.963,534 1.651,535 1.905,536 1.129,537 1.227,538 4.5,540 1.778,541 1.188,542 0.956,543 0.597,544 0.226,545 0.247,546 0.041,548 2082,549 9367,550 1.96,551 32,553 7,556 1,561 1.573,562 1.789,563 2.791,564 -0.256,570 39.991,571 1.6,572 2.722,573 3.458,574 4.244,575 4.324,576 4.324,577 2.184,578 3.337,579 4.063,580 2.892,581 393.371,582 6.882,583 3551.05,585 1,587 1,588 116.096,589 1.549,590 3.989,591 0.25,593 0.071,594 0.049,595 0.046,596 0.033,597 0.016,598 0.025,599 0.007,601 0.497,602 0.83,603 0.88,604 0.972,605 69.508,606 -0.074,607 0.125,608 -0.017,609 0.101,610 -0.135,611 0.066,612 0.168,613 -0.068,614 0.004,615 -0.015,616 0.232,617 -0.078,618 -0.118,619 -0.155,620 -0.212,621 -0.233,622 -0.083,623 -0.232,624 -0.009,625 -0.058,626 0.22,627 0.14,628 -0.082,629 0.059,630 -0.088,631 -0.018,632 0.016,633 0.064,634 -0.048,635 0.089,636 -0.249,637 -0.192,638 -0.26,639 -0.218,640 -0.175,641 -0.217,642 -0.37,643 0.019,644 -0.062,645 0.189,646 -0.4,647 0.15,648 1.121,649 0.006,650 0.211,651 -0.662,652 0.933,653 -0.159,654 2.625,655 3.866,656 0.706,657 9.419,658 1.029,659 1.095,660 4.306,661 18.541,662 0.777,663 2.944,664 3.258,665 3.434,666 3.664,667 3.85,668 3.807,669 3.807,670 3.714,671 3.611,672 3.434,673 4.286,674 0.749,675 267.11,676 2.944,677 4.466,678 5.283,679 6.151,680 6.989,681 7.858,682 8.705,683 9.574,684 10.424,685 11.292,701 7,706 5,708 12,716 1,723 2,724 25,726 13,727 2,728 18,730 26,731 13,732 12,733 5,734 7,735 1,737 2,738 2,739 2,751 13,754 1,758 1,761 1,764 1,767 8,768 2,769 1,770 4,771 2,777 1,778 2,789 2,808 1,810 2,816 2,819 17,826 1,838 2,839 8,841 1,842 1,846 9.5,847 4.486,848 3.722,849 1.344,850 2.407,851 1.403,852 0.949,853 3.478,854 8.381,855 3.258,856 3.871,857 4.407,858 4.977,859 5.524,860 5.703,861 6.043,862 6.278,863 6.545,864 6.69,865 1,866 24,867 6.215,869 2.63,870 0.006,871 8.16,872 11.37,874 9.05,876 2.66,877 45.222,878 0.001,881 82.398,882 83.802,884 78.297,885 67.828,888 83.802,889 228.523,893 66.334,894 68.738,895 16.558,897 82.398,898 78.297,899 82.398,900 83.802,901 67.828,902 78.297,904 82.398,905 67.828,909 83.802,910 78.297,912 82.398,913 67.828,914 162.099,917 82.398,918 17.468,919 66.334,921 146.126,922 82.398,923 67.828,924 162.099,926 0.585,927 0.323,928 0.171,929 0.095,930 12,931 6,932 0.077,933 2,935 1,936 2.851,937 114.83,939 12,940 63.487,944 12.115,945 4.88,946 2.856,948 67.828,949 11.751,954 2.847,956 42.683,957 312.325,958 25,962 10.866,965 -0.958,967 25.72,968 27.383,969 0.344,970 0.586,971 0.745,972 0.914,973 0.931,974 0.931,975 4.466,976 -0.347,977 5.283,978 2.322,979 3.932,980 4.554,981 1.635,982 6.057,983 3.831,984 5.695,985 -0.411,986 6.825,987 -0.891,988 3.611,989 4.388,991 6.868,992 3.386,993 7.002,994 -0.644,995 8.461,996 -1.088,997 5.493,998 6.742,999 2.253,1000 9.911,1001 5.347,1002 8.339,1003 -0.8,1004 10.148,1005 -1.509,1006 5.889,1007 7.286,1009 11.483,1010 5.666,1011 9.7,1012 -1,1013 11.867,1014 -2,1015 7.315,1016 9.176,1017 2.922,1018 14.047,1019 7.146,1020 11.078,1021 -1.15,1022 13.607,1023 -2.243,1024 8.051,1025 10.08,1027 15.964,1028 7.838,1029 12.472,1030 -1.532,1031 15.362,1032 -3.114,1033 9.278,1034 11.741,1035 3.619,1036 18.332,1037 9.092,1038 2.979,1039 -1.679,1040 17.13,1041 -4.072,1042 10.183,1043 12.845,1045 20.414,1046 9.971,1047 2.687,1048 9.45,1049 18.906,1050 -5.241,1051 11.32,1052 14.382,1053 4.33,1054 22.7,1055 11.12,1056 2.305,1057 8.055,1058 20.69,1059 4.037,1060 12.31,1061 15.602,1063 24.862,1064 12.092,1065 1.879,1066 6.629,1067 22.48,1068 3.639,1069 13.409,1070 17.071,1071 5.047,1072 27.116,1073 13.193,1074 1.562,1075 4.963,1076 24.274,1077 3.024,1078 14.441,1079 18.358,1081 29.316,1082 14.212,1083 1.064,1084 3.972,1085 26.072,1086 2.481,1087 15.525,1088 19.789,1089 5.769,1090 31.558,1091 15.293,1092 1,1093 2.71,1094 27.874,1095 2.233,1096 16.58,1097 21.116,1099 33.777,1100 16.336,1101 2178,1102 4685,1103 11.444,1104 19.432,1105 27.482,1106 28.057,1107 27.971,1108 27.301,1109 26.952,1110 36.937,1111 2.873,1112 76.201,1113 25.226,1114 5.017,1115 5.579,1116 5.79,1117 4.966,1118 4.979,1119 7.037,1120 2.873,1121 15.855,1122 4.942,1123 9.58,1124 1.527,1125 1.559,1126 1.554,1127 1.517,1128 1.497,1129 2.052,1130 0.16,1131 4.233,1132 1.401,1133 4.011,1134 4.026,1135 4.108,1136 3.973,1137 7.475,1138 3.966,1139 3.774,1140 3.788,1141 3.835,1142 3.72,1143 6.351,1144 3.712,1145 3.276,1146 3.262,1147 3.582,1148 3.046,1149 5.028,1150 3.082,1151 2.948,1152 2.99,1153 3.278,1154 2.861,1155 4.674,1156 2.85,1157 2.901,1158 2.918,1159 3.03,1160 2.849,1161 4.632,1162 2.815,1163 2.636,1164 2.688,1165 2.573,1166 2.434,1167 4.034,1168 2.435,1169 2.49,1170 2.564,1171 2.437,1172 2.29,1173 3.589,1174 2.304,1175 2.019,1176 2.061,1177 2.224,1178 1.558,1179 3.474,1180 1.464,1181 0.242,1182 0.199,1183 0.347,1184 0.22,1185 0.166,1186 4.357,1187 0.224,1188 3.579,1189 0.08,1190 6.246,1191 0.525,1192 3.966,1193 0.163,1194 2.979,1195 4.037,1196 1.437,1197 9.45,1198 2.942,1199 1.988,1200 1.973,1201 2.059,1202 2.044,1203 1.194,1204 2.054,1205 1.756,1206 1.74,1207 1.831,1208 1.831,1209 0.941,1210 1.842,1211 1.123,1212 1.126,1213 1.247,1214 1.415,1215 0.271,1216 1.349,1217 0.952,1218 0.912,1219 1.153,1220 1.077,1221 0.226,1222 1.112,1223 0.849,1224 0.827,1225 1,1226 0.962,1227 0.105,1228 1.004,1229 0.586,1230 0.536,1231 0.895,1232 0.863,1234 0.878,1235 0.475,1236 0.418,1237 0.814,1238 0.731,1240 0.779,1243 0.346,1244 0.393,1246 0.342,1247 3.611,1249 4.92,1251 6.418,1253 8.004,1255 9.634,1258 11.803,1262 8.913,1272 18.719,1273 39.991,1274 68.039,1275 86.445,1276 106.096,1277 108.096,1278 108.096,1279 28.908,1280 5.974,1281 37.3,1282 37.3,1283 12,1284 11.84,1285 3.807,1286 3,1287 28.306,1288 43,1289 36,1290 0.336,1291 124.851,1292 216.46,1293 296.395,1294 2328,1295 8,1296 12.414,1297 0.73,1298 0.598,1299 13.414,1300 10.165,1301 8.059,1302 0.448,1303 0.312,1304 4.89,1305 7.299,1306 4.709,1307 3.884,1308 8.636,1309 5.615,1310 7.608,1311 0.304,1312 0.177,1313 8.425,1314 4.417,1315 5.58,1316 0.186,1317 0.091,1318 6.051,1319 2.742,1320 4.695,1321 0.124,1322 0.055,1323 5.459,1324 2.078,1325 3.58,1326 0.078,1327 0.028,1328 3.965,1329 1.266,1330 0.502,1331 55.857,1332 0.296,1333 16.847,1334 0.987,1335 86,1336 294.292,1337 121.467,1338 347.458,1339 439.17,1340 318,1341 98,1342 262.392,1343 120.839,1344 288.504,1345 416.04,1346 270,1347 3.76}
{0 CHEMBL424,1 1.505,2 4,3 1.167,4 1.362,5 34.511,6 8.633,7 0.6,8 2.904,9 2.964,10 2.53,11 2.419,12 4.342,13 2.449,14 3.238,15 3.31,16 2.83,17 2.697,18 4.889,19 2.708,20 3.458,21 3.591,22 2.808,23 2.676,24 4.925,25 2.691,26 3.407,27 3.54,28 2.61,29 2.303,30 5.27,31 2.347,32 3.043,33 3.249,34 1.594,35 1.686,36 4.496,37 1.661,38 2.078,39 2.394,40 0.29,41 0.836,42 2.996,43 0.651,44 0.635,45 0.899,46 0.007,47 0.135,48 0.693,49 0.067,56 0.117,57 0.188,58 2.563,59 1.496,60 22.399,61 1.378,62 0.179,63 0.267,64 3.483,65 2.175,66 35.637,67 2.272,68 0.219,69 0.313,70 5.731,71 2.56,72 41.838,73 2.789,74 0.408,75 0.259,76 6.423,77 2.085,78 73.125,79 2.231,80 0.301,81 0.164,82 5.785,83 1.327,84 57.177,85 1.373,86 0.098,87 0.06,88 2.569,89 0.54,90 19.422,91 0.833,92 0.01,93 0.008,94 0.403,95 0.081,96 1.891,97 0.166,104 11,105 13,106 0.348,107 0.636,108 0.752,109 0.897,110 0.926,111 0.926,112 2.444,113 0.819,114 -2.87,115 -2.88,116 -2.79,118 43.8,137 4,138 1,139 1,150 1,158 1,161 1,162 4,163 1,166 1,169 1,171 3,174 4,175 1,179 1,184 3,185 1,187 2,188 2,192 2,195 1,196 1,197 3,201 1,204 1,209 1,272 68,273 6.397,274 6.397,275 6.397,276 6.397,277 6.397,278 5.449,279 4.434,280 3.849,281 6.436,282 4.901,283 4.901,284 4.901,285 4.901,286 4.901,287 3.557,288 3.411,289 1.778,290 4.976,291 2.495,292 1.25,293 0.75,294 0.125,297 3.015,301 1,302 76,303 2,307 30.514,314 0.6,315 17.135,318 1,319 0.83,320 0.83,321 0.4,323 1,324 1,325 0.72,326 23,327 40,328 4.291,329 3.609,330 6.334,331 3.909,332 2.923,333 3.906,334 1.437,335 9.387,336 2.874,337 3.339,338 2.682,339 4.697,340 2.895,341 1.909,342 2.573,344 4.751,345 1.861,346 2.861,347 1.543,348 3.665,349 2.392,350 1.414,351 2.015,353 3.032,354 1.376,355 2.532,356 1.311,357 3.466,358 2.005,359 1,360 1.475,362 2.304,363 0.994,364 1.093,365 0.471,366 2,367 0.697,368 -0.243,369 -0.299,371 -0.52,372 -0.223,373 0.638,374 0.106,375 2,376 0.157,377 -0.844,378 -1.136,380 -2,381 -0.826,382 0.408,383 -0.762,384 1.476,385 -0.018,386 -1,387 -1.432,389 -2.016,390 -0.981,391 -0.107,392 -1.223,393 1.047,394 -0.482,395 -1.414,396 -1.889,398 -3.459,399 -1.323,400 -0.5,401 -1.617,402 1,403 -0.755,404 -1.744,405 -2.212,407 -5.184,408 -1.751,409 -0.556,410 -2,411 0.315,412 -1,413 -2,414 -3,415 -1.437,416 -6.295,417 -2,463 4.5,464 0.45,465 0.285,466 0.028,467 13.75,468 1.375,469 8,470 0.8,471 5.75,472 0.575,473 4.08,474 0.408,475 11.1,476 0.694,477 8.042,478 0.804,479 3.045,480 0.304,481 1.67,482 0.167,483 0.222,485 0.333,490 0.936,491 0.835,492 0.778,493 0.814,494 0.923,495 0.751,496 0.476,497 1.158,498 0.702,499 1.168,500 0.488,501 1.065,502 0.888,503 1.249,504 0.88,505 1.234,506 0.883,507 1.1,508 1.063,509 1.172,510 1.127,511 1.177,512 1.028,513 1.178,514 1.864,515 0.635,516 1.63,517 0.645,518 1.893,519 0.938,520 1.017,521 0.271,522 1.034,523 0.301,524 1.088,525 0.578,538 2,540 1.333,541 0.875,542 0.302,543 0.125,548 396,549 1862,550 1.835,551 37.5,553 4,556 2,561 1.396,562 1.667,563 2.168,564 0.743,570 24.084,571 1.505,572 2.75,573 3.25,574 3.875,575 4,576 4,577 1.571,578 2.722,579 3.299,580 2.151,581 96.789,582 5.339,583 608.672,588 64,589 1.571,590 3.209,591 0.2,593 0.103,594 0.073,595 0.038,596 0.063,601 0.476,602 1,603 1,604 1.185,605 31.104,606 -0.202,607 0.222,608 -0.103,609 0.221,610 -0.235,611 0.132,612 0.194,613 -0.126,614 -0.015,615 -0.146,616 0.183,617 -0.163,618 -0.092,619 -0.301,620 -0.015,621 -0.281,622 -0.084,623 -0.158,624 0.134,625 -0.295,626 -0.093,627 -0.314,628 0.155,629 -0.303,630 -0.545,631 0.185,632 -0.406,633 0.179,634 -0.539,635 0.005,636 -0.102,637 0.52,638 0.365,639 0.569,640 -0.122,641 0.639,642 0.483,643 0.768,644 1.572,645 0.925,646 0.495,647 1.505,654 2.78,655 3.262,656 0.6,657 3.6,658 1.04,659 1.117,660 1.643,661 2.7,662 0.665,663 2.398,664 2.639,665 2.773,666 2.833,667 2.708,668 2.197,669 1.792,670 1.099,673 2.781,674 0.67,675 138.13,676 2.398,677 3.85,678 4.635,679 5.46,680 6.263,681 7.091,682 7.899,683 8.727,684 9.536,685 10.363,701 4,706 2,708 6,716 1,721 1,724 16,726 7,727 1,728 10,730 16,731 7,732 6,733 2,734 4,735 1,737 1,738 1,751 7,754 1,758 1,761 1,767 6,768 3,769 2,770 3,777 1,778 3,789 1,808 1,810 1,819 10,826 2,839 18.8,841 2,842 1,846 6,847 2.65,848 2.306,849 0.767,850 1.381,851 1.304,852 0.824,853 1.804,854 5.924,855 2.708,856 3.239,857 3.707,858 4.141,859 4.467,860 4.123,861 3.992,862 3.169,865 0.667,866 12,867 3.641,868 0.02,869 1.513,870 0.026,871 8.7,872 6.347,873 0.01,874 4.721,875 0.015,876 3.2,877 32,878 0.007,881 47.084,882 42,885 110.512,888 42,889 157.596,893 37.905,894 111.421,895 3.186,897 47.084,899 47.084,900 42,901 110.512,904 47.084,905 110.512,909 42,912 47.084,913 110.512,914 42,917 47.084,918 4.095,919 37.905,921 110.512,922 47.084,923 110.512,924 42,926 0.573,927 0.327,928 0.16,929 0.062,930 6,931 3,932 0.063,933 1,935 1,936 2.09,937 48.306,939 6,940 33.219,944 6.932,945 2.602,946 1.417,948 110.512,949 5.812,954 -0.266,956 85.367,957 199.596,958 14,962 10.262,965 -1.113,967 16.633,968 17.874,969 0.376,970 0.688,971 0.813,972 0.969,973 1,974 1,975 3.861,976 -1.414,977 4.615,978 -2.016,979 3.296,980 3.912,981 1.635,982 5.361,983 3.263,984 5.064,985 -1.744,986 6.155,987 -3.459,988 2.944,989 3.689,991 6.271,992 2.866,993 6.353,994 -2,995 7.808,996 -5.184,997 4.812,998 6.046,999 2.253,1000 9.293,1001 4.751,1002 7.682,1004 9.526,1005 -6.295,1006 5.252,1007 6.6,1009 11.026,1010 5.144,1011 9.042,1013 11.285,1015 6.663,1016 8.48,1017 2.922,1018 13.567,1019 6.57,1020 10.425,1022 13.07,1024 7.46,1025 9.41,1027 15.604,1028 7.327,1029 11.825,1031 14.874,1033 8.678,1034 11.062,1035 3.619,1036 17.968,1037 8.55,1038 2.923,1040 16.69,1042 9.631,1043 12.184,1045 20.124,1046 9.471,1047 1.909,1048 9.387,1049 18.515,1051 10.767,1052 13.713,1053 4.33,1054 22.415,1055 10.603,1056 1.414,1057 4.751,1058 20.345,1059 3.906,1060 11.787,1061 14.939,1063 24.619,1064 11.598,1065 1,1066 3.032,1067 22.181,1068 2.573,1069 12.888,1070 16.398,1071 5.047,1072 26.881,1073 12.689,1074 -0.243,1075 2.304,1076 24.019,1077 2.015,1078 13.937,1079 17.683,1081 29.106,1082 13.716,1083 -0.844,1084 -0.52,1085 25.859,1086 1.475,1087 15.022,1088 19.102,1089 5.769,1090 31.355,1091 14.789,1092 -1,1093 -2,1094 27.701,1095 -0.299,1096 16.084,1097 20.419,1099 33.588,1100 15.831,1101 479,1102 1077,1103 6.068,1104 10.648,1105 14.847,1106 15.112,1107 15.524,1108 14.563,1109 14.492,1110 19.937,1111 2.873,1112 38.949,1113 14.211,1114 4.847,1115 5.609,1116 6.019,1117 4.909,1118 4.923,1119 6.906,1120 2.873,1121 15.683,1122 4.874,1123 5.248,1124 1.485,1125 1.511,1126 1.552,1127 1.456,1128 1.449,1129 1.994,1130 0.287,1131 3.895,1132 1.421,1133 3.918,1134 3.932,1135 3.869,1136 3.84,1137 7.475,1138 3.843,1139 3.279,1140 3.267,1141 3.226,1142 3.022,1143 6.469,1144 3.066,1145 2.938,1146 2.972,1147 2.817,1148 2.746,1149 6.35,1150 2.75,1151 2.648,1152 2.691,1153 2.497,1154 2.333,1155 4.602,1156 2.385,1157 2.13,1158 2.211,1159 1.855,1160 1.56,1161 3.6,1162 1.614,1163 1.982,1164 2.036,1165 1.749,1166 1.334,1167 3.296,1168 1.415,1169 1.472,1170 1.687,1171 0.886,1172 1.04,1173 1.93,1174 0.966,1175 1.357,1176 1.518,1177 0.823,1178 0.947,1179 1.771,1180 0.903,1181 0.429,1182 0.361,1183 0.633,1184 0.391,1185 0.292,1186 4.291,1187 0.391,1188 3.609,1189 0.144,1190 6.334,1191 0.939,1192 3.909,1193 0.287,1194 2.923,1195 3.906,1196 1.437,1197 9.387,1198 2.874,1199 1.886,1200 1.869,1201 1.988,1202 1.985,1203 1.053,1204 1.984,1205 1.121,1206 1.121,1207 1.252,1208 1.429,1209 0.228,1210 1.36,1211 0.883,1212 0.839,1213 1.137,1214 1.145,1215 0.128,1216 1.131,1217 0.517,1218 0.491,1219 0.816,1220 0.896,1222 0.891,1225 0.543,1226 0.522,1228 0.527,1231 0.318,1232 0.353,1234 0.328,1237 0.281,1238 0.038,1240 0.139,1247 3.045,1249 4.29,1251 5.753,1253 7.311,1255 8.912,1262 17.306,1272 10.725,1273 24.084,1274 44,1275 52,1276 62,1277 64,1278 64,1279 16.479,1280 4.543,1281 57.53,1282 57.53,1283 6,1284 10.942,1285 3,1286 2.322,1287 16.456,1288 16,1289 12,1290 0.57,1291 70.803,1292 122.21,1293 164.518,1294 314,1296 7.56,1297 0.756,1298 0.511,1299 7.56,1300 5.112,1301 4.715,1302 0.472,1303 0.273,1304 2.684,1305 4.506,1306 2.642,1307 2.208,1308 4.715,1309 2.729,1310 4.17,1311 0.321,1312 0.14,1313 4.17,1314 1.822,1315 3.034,1316 0.202,1317 0.076,1318 3.034,1319 1.134,1320 2.335,1321 0.146,1322 0.041,1323 2.335,1324 0.654,1325 1.342,1326 0.096,1327 0.024,1328 1.342,1329 0.342,1330 0.788,1331 30.023,1332 0.406,1333 9.788,1334 1.869,1335 46,1336 198.035,1337 52.532,1338 187.689,1339 235.88,1340 170,1341 51,1342 156.697,1343 56.316,1344 157.779,1345 225.26,1346 147,1347 3.77}
{0 CHEMBL435,1 2.308,2 5.647,3 0.038,4 0.001,5 64.294,6 11.911,7 0.333,8 3.409,9 3.458,10 3.688,11 3.042,12 4.534,13 2.985,14 3.964,15 4.037,16 3.913,17 3.426,18 5.81,19 3.384,20 4.184,21 4.283,22 4.043,23 3.582,24 5.637,25 3.504,26 4.201,27 4.304,28 4.028,29 3.424,30 5.91,31 3.371,32 3.961,33 4.101,34 3.845,35 3.133,36 5.269,37 3.039,38 3.725,39 3.813,40 3.583,41 2.635,42 6.081,43 2.675,44 3.202,45 3.38,46 1.948,47 1.956,48 4.682,49 1.918,50 2.611,51 2.902,52 0.61,53 1.255,54 3.784,55 1.084,56 0.153,57 0.448,58 3.586,59 2.883,60 47.951,61 1.614,62 0.538,63 0.654,64 7.525,65 4.723,66 104.41,67 3.619,68 0.697,69 0.735,70 17.289,71 6.781,72 124.854,73 4.847,74 0.874,75 0.644,76 16.088,77 6.485,78 138.889,79 4.164,80 0.63,81 0.486,82 19.851,83 5.512,84 133.083,85 4.016,86 0.72,87 0.317,88 16.381,89 3.809,90 142.527,91 3.002,92 0.402,93 0.186,94 8.257,95 1.994,96 77.232,97 0.771,98 0.238,99 0.086,100 4.864,101 1.14,102 44.209,103 1.107,104 38,105 29,106 0.457,107 0.714,108 0.81,109 0.857,110 0.857,111 0.857,112 2.911,113 1.287,114 -0.68,115 -0.8,116 -0.92,118 28,125 1,137 2,139 4,154 1,155 1,156 1,165 2,168 2,169 4,170 1,171 1,174 1,179 4,184 3,187 2,190 1,192 6,195 2,197 4,202 2,216 4,217 2,219 2,220 6,221 2,222 1,224 2,272 240,273 10.289,274 10.289,275 10.289,276 10.289,277 10.289,278 8.949,279 12.301,280 5.59,281 10.774,282 8.856,283 8.856,284 8.856,285 8.856,286 8.856,287 6.592,288 13.193,289 2.619,290 9.719,291 2.336,292 1.04,293 0.56,294 0.32,295 0.32,296 0.32,297 3.544,298 1,300 1,301 1,302 194,303 3.317,307 76.228,311 65.545,314 0.886,315 40.912,318 1,319 1,320 1,321 0.3,323 1,324 1,325 0.76,326 39.833,327 96,328 4.94,329 4.755,330 7.427,331 4.412,332 3.496,333 4.821,334 0.566,335 12.983,336 3.169,337 4.783,338 4.642,339 7.211,340 4.211,341 3.301,342 4.618,344 12.066,345 2.969,346 3.964,347 2.871,348 5.78,349 3.442,350 2.489,351 3.551,353 7.893,354 2.362,355 3.376,356 2.365,357 5.269,358 2.888,359 1.978,360 2.658,362 6.129,363 1.749,364 2.881,365 1.906,366 4.555,367 2.469,368 1.536,369 2.009,371 4.308,372 1.4,373 2.324,374 1.385,375 3.867,376 2.056,377 1.116,378 1.297,380 2.73,381 1.036,382 1.464,383 0.811,384 3.143,385 1.011,386 0.118,387 0.147,389 0.33,390 0.095,391 1,392 0.265,393 2.915,394 0.641,395 -0.213,396 -0.241,398 -0.535,399 -0.164,400 1,401 0.049,402 2.69,403 0.205,404 -0.747,405 -0.949,407 -2.157,408 -0.662,409 0.98,410 -0.232,411 2.518,413 -1,414 -1.172,416 -3,417 -0.836,418 0.656,419 -0.869,420 2,422 -1,423 -1.337,425 -3,426 -1,427 0.302,428 -1,429 2,431 -1,432 -1.759,434 -3,435 -1,436 0.048,437 -1,438 2,439 -0.312,440 -1.099,441 -2,443 -3.438,444 -1,445 -0.194,446 -1,447 2,448 -0.543,449 -1.44,450 -2,452 -4.572,453 -1.275,454 -0.445,455 -1.202,456 1.677,457 -0.859,458 -1.664,459 -2.011,461 -5.026,462 -1.405,463 8.414,464 0.495,465 0.87,466 0.051,467 23.5,468 1.382,469 12.5,470 0.735,471 11,472 0.647,473 11.5,474 0.676,475 19.786,476 0.791,477 17.077,478 1.005,479 4.267,480 0.251,481 3.449,482 0.203,483 0.291,484 0.198,485 0.238,490 0.588,491 1.42,492 0.811,493 1.333,494 0.797,495 0.771,496 0.585,497 0.892,498 0.848,499 0.837,500 0.485,501 0.773,502 1.125,503 1.179,504 0.989,505 1.012,506 1.007,507 1.003,508 1.15,509 1.052,510 1,511 0.981,512 1.143,513 1.152,514 1.164,515 1.247,516 1.016,517 1.212,518 1.3,519 1.138,520 0.374,521 0.656,522 1.326,523 1.196,524 0.48,525 1.066,526 2.257,527 0.642,528 1.492,529 0.81,530 2.076,531 1.227,532 1.412,533 0.28,534 0.617,535 0.241,536 1.437,537 0.856,538 6.5,540 3.333,541 2.125,542 1.409,543 1.146,544 0.184,545 0.083,548 1792,549 9961,550 1.869,551 32,553 2,554 2,556 4,561 1.579,562 1.645,563 2.524,564 2.409,570 57.69,571 2.308,572 3.604,573 4.084,574 4.324,575 4.324,576 4.324,577 1.954,578 3.41,579 4.066,580 2.634,581 358.222,582 6.913,583 3180.17,585 1,588 116.096,589 1.904,590 3.919,591 0.361,593 0.115,594 0.073,595 0.056,596 0.072,597 0.011,598 0.028,601 0.717,602 0.5,603 1,604 1.011,605 67.587,606 -0.013,607 -0.065,608 0.131,609 -0.117,610 -0.222,611 0.137,612 0.211,613 0.256,614 -0.1,615 0.096,616 0.326,617 0.069,618 -0.278,619 -0.174,620 -0.085,621 -0.028,622 -0.165,623 -0.034,624 -0.139,625 -0.149,626 -0.072,627 -0.102,628 -0.141,629 -0.24,630 -0.174,631 -0.39,632 0.152,633 -0.164,634 -0.345,635 -0.048,636 0.97,637 0.203,638 -0.141,639 -0.224,640 0.91,641 -0.191,642 -1.018,643 0.144,644 -0.62,646 -0.742,647 -0.329,648 -0.303,649 0.271,650 0.216,651 0.422,652 -0.357,653 0.355,654 4.986,655 4.634,656 0.588,657 8.699,658 1.07,659 1.134,660 -0.547,661 0.299,662 0.731,663 2.944,664 3.401,665 3.584,666 3.829,667 4.025,668 4.19,669 3.989,670 3.951,671 3.714,672 3.526,673 3.755,674 0.708,675 297.77,676 2.944,677 4.554,678 5.407,679 6.347,680 7.226,681 8.165,682 9.051,683 9.989,684 10.877,685 11.815,686 12,688 1,690 1,691 1,701 2,706 4,708 6,718 1,723 1,724 25,726 10,727 1,728 18,730 26,731 7,732 6,733 4,734 2,737 2,738 3,739 1,751 6,752 1,754 4,756 2,758 4,764 1,767 8,768 7,769 4,770 10,771 3,773 3,777 0.5,778 4,789 2,793 1,810 1,813 2,816 1,819 17,820 1,823 2,827 1,828 2,838 1,839 16,842 4,846 10.333,847 4.143,848 3.431,849 1.098,850 1.639,851 1.268,852 1.02,853 2.937,854 7.753,855 3.258,856 4.016,857 4.41,858 4.948,859 5.438,860 5.891,861 5.887,862 5.952,863 5.603,864 5.789,865 0.75,866 29,867 6.811,869 3.623,870 0.006,871 8.742,872 11.188,874 9.676,876 3.242,877 55.111,881 47.084,882 41.603,883 65.707,884 39.149,885 88.626,887 11.615,888 29.988,889 174.859,890 65.707,892 1.677,893 78.264,894 106.637,895 9.359,896 23.542,897 23.542,898 39.149,899 47.084,900 95.695,901 88.626,902 50.764,904 47.084,905 88.626,908 18.082,909 59.603,910 68.774,912 47.084,913 154.333,914 80.752,916 11.615,917 47.084,918 11.036,919 18.952,920 34.416,921 159.066,922 47.084,923 154.333,924 80.752,926 0.628,927 0.341,928 0.168,929 0.088,930 16,931 8,932 0.038,933 1,934 1,935 1.2,936 2.645,937 123.656,938 0.2,939 10,940 65.487,943 2,944 12.76,945 3.913,946 2.305,948 154.333,949 2.149,954 -0.513,956 65.707,957 282.169,958 25,960 -7.802,962 45.684,967 26.742,968 28.362,969 0.497,970 0.776,971 0.879,972 0.931,973 0.931,974 0.931,975 4.57,976 -0.213,977 5.557,978 0.33,979 4.078,980 4.7,981 0.495,982 6.535,983 3.897,984 5.922,985 -0.747,986 7.251,987 -0.535,988 4.29,989 5.293,991 8.089,992 3.996,993 7.38,994 -1,995 9.063,996 -2.157,997 5.969,998 7.264,999 0.186,1000 11.086,1001 5.595,1002 8.873,1003 -1,1004 10.939,1005 -3,1006 6.847,1007 8.505,1009 13.299,1010 6.35,1011 10.392,1012 -1,1013 12.853,1014 -3,1015 8.2,1016 10.165,1017 0.063,1018 15.975,1019 7.623,1020 11.928,1021 -1.099,1022 14.79,1023 -3,1024 9.306,1025 11.61,1027 18.401,1028 8.608,1029 13.476,1030 -1.44,1031 16.742,1032 -3.438,1033 10.569,1034 13.192,1035 0.021,1036 20.986,1037 9.783,1038 3.496,1039 -1.664,1040 18.705,1041 -4.572,1042 11.755,1043 14.705,1045 23.486,1046 10.855,1047 3.301,1048 12.983,1049 20.676,1050 -5.026,1051 12.994,1052 16.267,1053 0.007,1054 26.041,1055 12,1056 2.489,1057 12.066,1058 22.652,1059 4.821,1060 14.208,1061 17.806,1063 28.568,1064 13.106,1065 1.978,1066 7.893,1067 24.633,1068 4.618,1069 15.442,1070 19.363,1071 0.002,1072 31.115,1073 14.242,1074 1.536,1075 6.129,1076 26.617,1077 3.551,1078 16.668,1079 20.912,1081 33.653,1082 15.364,1083 1.116,1084 4.308,1085 28.603,1086 2.658,1087 17.901,1088 22.469,1089 0.001,1090 36.199,1091 16.499,1092 0.118,1093 2.73,1094 30.591,1095 2.009,1096 19.133,1097 24.023,1099 38.742,1100 17.629,1101 1937,1102 4669,1103 10.633,1104 18.273,1105 28.019,1106 30.733,1107 29.55,1108 28.145,1109 28.068,1110 38.204,1111 1.131,1112 92.878,1113 25.563,1114 5.885,1115 6.755,1116 6.884,1117 5.527,1118 5.496,1119 7.821,1120 1.131,1121 20.792,1122 5.169,1123 11.061,1124 1.557,1125 1.707,1126 1.642,1127 1.564,1128 1.559,1129 2.122,1130 0.063,1131 5.16,1132 1.42,1133 4.154,1134 4.13,1135 4.784,1136 4.15,1137 7.728,1138 4.059,1139 3.887,1140 3.833,1141 4.687,1142 3.861,1143 7.715,1144 3.708,1145 3.467,1146 3.452,1147 3.837,1148 3.377,1149 6.999,1150 3.304,1151 3.221,1152 3.286,1153 3.27,1154 2.97,1155 6.999,1156 2.966,1157 2.71,1158 2.763,1159 3.015,1160 2.592,1161 4.905,1162 2.564,1163 2.63,1164 2.71,1165 2.526,1166 2.456,1167 4.791,1168 2.446,1169 2.41,1170 2.504,1171 2.174,1172 1.893,1173 4.395,1174 1.909,1175 1.987,1176 2.094,1177 2.058,1178 1.559,1179 3.968,1180 1.55,1181 0.274,1182 0.264,1183 0.413,1184 0.245,1185 0.194,1186 4.94,1187 0.268,1188 4.755,1189 0.031,1190 7.427,1191 0.721,1192 4.412,1193 0.176,1194 3.496,1195 4.821,1196 0.566,1197 12.983,1198 3.169,1199 2.017,1200 2.037,1201 1.94,1202 2.087,1203 1.263,1204 2.125,1205 1.636,1206 1.689,1207 1.563,1208 1.797,1209 0.846,1210 1.852,1211 1.285,1212 1.308,1213 1.24,1214 1.483,1215 0.483,1216 1.506,1217 1.117,1218 1.056,1219 1.097,1220 1.373,1221 0.377,1222 1.402,1223 0.668,1224 0.623,1225 0.793,1226 0.919,1228 0.95,1229 0.548,1230 0.493,1231 0.752,1232 0.822,1234 0.84,1235 0.232,1236 0.113,1237 0.426,1238 0.691,1240 0.692,1243 0.264,1244 0.307,1246 0.348,1247 3.611,1249 5.03,1251 6.637,1253 8.332,1255 10.071,1258 5.725,1261 4.931,1263 0.014,1264 4.922,1272 17.706,1273 57.69,1274 90.096,1275 102.096,1276 108.096,1277 108.096,1278 108.096,1279 47.946,1280 6.114,1281 118.36,1282 135.12,1283 12,1284 12.321,1285 3.459,1286 3,1287 28.136,1288 40,1289 26,1290 0.393,1291 121.31,1292 206.51,1293 287.757,1294 2608,1295 4,1296 12.845,1297 0.756,1298 0.627,1299 13.845,1300 10.656,1301 7.716,1302 0.429,1303 0.429,1304 4.508,1305 5.54,1306 4.158,1307 3.398,1308 9.72,1309 7.723,1310 8.669,1311 0.299,1312 0.241,1313 11.712,1314 6.998,1315 5.95,1316 0.17,1317 0.143,1318 8.158,1319 4.988,1320 4.993,1321 0.111,1322 0.082,1323 7.292,1324 3.702,1325 3.559,1326 0.065,1327 0.049,1328 5.313,1329 2.709,1330 0.567,1331 69.758,1332 0.307,1333 16.301,1334 1.243,1335 94,1336 388.844,1337 192.412,1338 439.66,1339 560.64,1340 392,1341 111,1342 322.421,1343 224.701,1344 404.713,1345 586.56,1346 374,1347 3.36}
{0 CHEMBL469,1 1.517,2 7.737,3 2.807,4 7.878,5 70.194,6 7.978,7 0.524,8 3.584,9 3.675,10 3.203,11 3.177,12 4.778,13 3.168,14 4.102,15 4.231,16 3.588,17 3.585,18 5.351,19 3.556,20 4.375,21 4.563,22 3.599,23 3.665,24 5.539,25 3.612,26 4.348,27 4.512,28 3.554,29 3.54,30 5.691,31 3.507,32 4.238,33 4.428,34 3.327,35 3.363,36 5.54,37 3.331,38 4.003,39 4.198,40 3.041,41 3.254,42 5.134,43 3.166,44 3.888,45 4.098,46 2.917,47 3.108,48 5.292,49 2.989,50 3.713,51 3.974,52 2.496,53 2.779,54 4.781,55 2.636,56 0.051,57 0.422,58 5.594,59 2.979,60 11.138,61 3.441,62 0.177,63 0.717,64 10.371,65 4.94,66 37.238,67 6.07,68 0.277,69 0.896,70 16.355,71 6.545,72 38.462,73 8.221,74 0.354,75 0.816,76 16.13,77 6.309,78 55.18,79 7.399,80 0.377,81 0.722,82 15.8,83 5.407,84 71.37,85 6.175,86 0.222,87 0.592,88 11.743,89 4.643,90 40.844,91 5.699,92 0.284,93 0.52,94 10.545,95 4.393,96 61.313,97 5.898,98 0.118,99 0.423,100 9.812,101 3.786,102 21.253,103 5.195,104 11,105 30,106 0.282,107 0.623,108 0.753,109 0.844,110 0.86,111 0.86,112 3.012,113 0.886,114 -3.23,115 -3.22,116 -3.09,118 46.9,120 1,121 1,124 1,137 7,138 1,146 2,149 1,150 1,158 1,161 1,162 8,163 1,166 6,169 1,171 1,174 7,175 1,178 1,179 5,180 1,184 1,187 6,188 1,191 1,192 6,195 1,197 1,200 4,201 1,204 6,209 1,212 6,217 1,218 1,225 7,226 1,230 1,231 1,234 1,236 1,239 5,240 2,245 2,250 2,253 2,254 2,259 2,264 2,268 1,272 398,273 12.828,274 12.828,275 12.828,276 12.828,277 12.828,278 11.268,279 10.578,280 7.482,281 12.906,282 10.334,283 10.334,284 10.334,285 10.334,286 10.334,287 7.923,288 11.354,289 3.496,290 10.457,291 3.483,292 1.654,293 0.95,294 0.461,295 0.375,296 0.375,297 3.684,299 1,300 1,301 1,302 315,303 2.915,306 77.479,307 57.071,309 63.89,314 1.224,315 25.234,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 41.5,327 147,328 4.585,329 3.837,330 6.896,331 4.244,332 3.274,333 4.235,334 2.397,335 11.512,336 3.181,337 4.141,338 3.607,339 6.361,340 3.858,341 2.846,342 3.627,343 0.242,344 9.527,345 2.872,346 3.735,347 3.031,348 5.722,349 3.364,350 2.38,351 3.032,353 7.449,354 2.328,355 3.294,356 2.216,357 4.952,358 2.845,359 1.84,360 2.539,362 5.102,363 1.837,364 2.856,365 2.043,366 4.284,367 2.414,368 1.414,369 1.972,371 3.703,372 1.406,373 2.707,374 1.528,375 3.856,376 2.388,377 1.414,378 1.768,380 3.208,381 1.375,382 2.5,383 1.323,384 3.631,385 2,386 1,387 1.5,389 2.411,390 1,391 2.404,392 1.111,393 3.342,394 1.954,395 0.951,396 1.235,398 2.136,399 0.942,400 2.121,401 1,402 3.247,403 1.747,404 0.729,405 0.984,407 1.788,408 0.739,409 1.542,410 0.613,411 3,412 1.229,413 0.218,414 0.278,416 0.547,417 0.218,418 0.75,419 0.397,420 2.193,421 0.281,422 -0.747,423 -1.028,425 -1.608,426 -0.761,427 0.5,428 -0.38,429 2,430 0.054,431 -1,432 -1.18,434 -2,435 -0.932,436 0.485,437 -0.652,438 2,440 -1,441 -1.422,443 -2.347,444 -1,445 0.271,446 -1,447 1.749,448 -0.045,449 -1,450 -1.5,452 -2.586,453 -1.044,454 -0.03,455 -1.074,456 1.555,457 -0.412,458 -1.414,459 -1.597,461 -4.133,462 -1.372,463 8.9,464 0.468,465 0.49,466 0.026,467 25,468 1.316,469 13,470 0.684,471 12,472 0.632,473 12.445,474 0.655,475 19.9,476 0.622,477 17.05,478 0.897,479 5.042,480 0.265,481 4.139,482 0.218,483 0.112,485 0.382,490 0.693,491 1.12,492 0.717,493 0.946,494 0.624,495 0.857,496 0.507,497 1.198,498 0.805,499 1.05,500 0.434,501 0.995,502 0.839,503 0.968,504 0.939,505 0.975,506 0.798,507 0.968,508 1.22,509 1.131,510 1.077,511 1.14,512 1.365,513 1.099,514 1.631,515 0.854,516 1.165,517 0.826,518 1.646,519 0.878,520 1.066,521 0.938,522 1.165,523 0.986,524 1.097,525 1.075,526 0.29,527 1.03,528 0.943,529 1.159,530 0.28,531 1.189,532 0.628,533 1.023,534 0.886,535 1.123,536 0.62,537 1.079,538 3,539 0.025,540 2.667,541 1.438,542 1.046,543 0.581,544 0.283,545 0.172,546 0.086,547 0.044,548 3091,549 9460,550 2.081,551 40.6,553 9,556 1,557 1,558 2,561 1.604,562 1.932,563 2.971,564 -0.301,566 1,567 1,568 1,570 48.536,571 1.517,572 3.346,573 4.05,574 4.539,575 4.625,576 4.625,577 2.465,578 3.616,579 4.219,580 3.064,581 523.96,582 7.194,583 4985.24,584 1,585 1,587 1,588 160,589 1.462,590 4.171,591 0.143,592 0.012,593 0.089,594 0.05,595 0.04,596 0.028,597 0.018,598 0.013,599 0.011,600 0.009,601 0.412,602 0.83,603 1,604 0.868,605 81.122,606 -0.065,607 -0.052,608 0.018,609 0.042,610 -0.059,611 0.044,612 0.125,613 -0.126,614 -0.01,615 -0.084,616 0.13,617 -0.077,618 -0.022,619 0.049,620 -0.01,621 -0.016,622 -0.016,623 -0.007,624 -0.035,625 -0.173,626 -0.101,627 -0.186,628 -0.128,629 -0.171,630 -0.297,631 0.111,632 -0.121,633 0.116,634 -0.265,635 0.054,636 -0.175,637 0.027,638 -0.208,639 -0.01,640 -0.178,641 -0.095,642 0.427,643 -0.106,644 0.019,645 -0.161,646 0.446,647 -0.158,648 0.088,649 -0.149,650 0.167,651 -0.12,652 0.1,653 0.01,654 2.49,655 5.375,656 0.737,657 12.36,658 1.012,659 1.113,660 2.002,661 4.009,662 0.686,663 3.091,664 3.434,665 3.761,666 4.043,667 4.159,668 4.263,669 4.369,670 4.29,671 4.248,672 4.111,673 4.635,674 0.666,675 255.29,676 3.091,677 4.635,678 5.509,679 6.405,680 7.3,681 8.205,682 9.109,683 10.018,684 10.927,685 11.838,686 3.1,694 1,701 7,706 3,707 1,708 11,713 1,724 32,726 13,727 1,728 21,730 34,731 15,732 10,733 1,734 5,735 1,737 3,738 4,746 1,747 1,749 1,751 12,752 3,753 1,754 2,758 2,761 2,764 1,767 13,768 3,769 1,770 4,773 1,777 0.667,778 3,784 1,788 2,789 1,791 1,800 1,808 1,810 2,819 19,826 1,827 2,831 1,839 9.4,841 1,842 2,846 9.833,847 5.65,848 4.167,849 1.931,850 2.126,851 1.323,852 0.966,853 2.898,854 8.712,855 3.384,856 3.966,857 4.555,858 5.112,859 5.47,860 5.709,861 6.039,862 6.165,863 6.396,864 6.549,865 1,866 29,867 7.066,869 3.146,870 0.006,871 8.061,872 13.193,874 11.181,876 2.561,877 48.667,878 0.001,881 141.253,882 85.716,883 1.899,885 92.973,888 85.716,889 234.226,890 1.899,892 4.64,893 66.334,894 99.017,895 5.085,896 5.513,897 141.253,899 141.253,900 87.615,901 92.973,904 117.711,905 116.515,908 6.539,909 81.076,912 141.253,913 94.872,914 85.716,917 141.253,918 19.383,919 68.233,921 92.973,922 141.253,923 94.872,924 85.716,926 0.586,927 0.357,928 0.196,929 0.097,930 16,931 7,932 0.088,933 3,934 1,935 1.143,936 3.108,937 144.136,938 0.143,939 14,940 76.711,944 12.031,945 4.577,946 1.952,948 92.973,949 12.515,954 1.93,955 1.828,956 42.683,957 321.842,958 28.5,962 23.491,965 -0.881,967 32.385,968 35.618,969 0.303,970 0.669,971 0.81,972 0.908,973 0.925,974 0.925,975 4.623,976 0.951,977 5.509,978 2.411,979 4.111,980 4.649,981 2.35,982 6.375,983 4.087,984 5.832,985 0.729,986 7.106,987 2.136,988 3.761,989 4.443,990 2.243,991 7.413,992 3.717,993 7.147,994 0.218,995 8.81,996 1.788,997 5.746,998 6.81,999 3.742,1000 10.558,1001 5.69,1002 8.502,1003 -0.747,1004 10.577,1005 0.547,1006 6.275,1007 7.477,1008 4.213,1009 12.442,1010 6.193,1011 9.894,1012 -1,1013 12.384,1014 -1.608,1015 7.727,1016 9.295,1017 5.351,1018 15.105,1019 7.631,1020 11.311,1021 -1,1022 14.218,1023 -2,1024 8.623,1025 10.352,1026 6.05,1027 17.306,1028 8.498,1029 12.748,1030 -1,1031 16.071,1032 -2.347,1033 9.886,1034 11.952,1035 7.042,1036 19.816,1037 9.742,1038 3.274,1039 -1.414,1040 17.936,1041 -2.586,1042 10.938,1043 13.196,1044 7.838,1045 22.146,1046 10.763,1047 2.846,1048 11.512,1049 19.812,1050 -4.133,1051 12.134,1052 14.701,1053 8.766,1054 24.604,1055 11.936,1056 2.38,1057 9.527,1058 21.695,1059 4.235,1060 13.252,1061 16.038,1062 9.604,1063 26.99,1064 13.023,1065 1.84,1066 7.449,1067 23.584,1068 3.627,1069 14.428,1070 17.502,1071 10.503,1072 29.431,1073 14.171,1074 1.414,1075 5.102,1076 25.478,1077 3.032,1078 15.576,1079 18.886,1080 11.361,1081 31.844,1082 15.287,1083 1.414,1084 3.703,1085 27.376,1086 2.539,1087 16.747,1088 20.333,1089 12.247,1090 34.281,1091 16.429,1092 1,1093 3.208,1094 29.277,1095 1.972,1096 17.909,1097 21.742,1098 13.113,1099 36.707,1100 17.559,1101 3058,1102 5415,1103 13.929,1104 21.938,1105 32.628,1106 33.636,1107 33.439,1108 32.181,1109 32.13,1110 42.338,1111 5.279,1112 94.766,1113 31.794,1114 5.461,1115 5.837,1116 6.698,1117 5.276,1118 5.274,1119 7.235,1120 4.03,1121 19.1,1122 5.181,1123 8.845,1124 1.554,1125 1.602,1126 1.592,1127 1.532,1128 1.53,1129 2.016,1130 0.251,1131 4.513,1132 1.514,1133 4.1,1134 4.137,1135 4.055,1136 3.982,1137 7.474,1138 3.995,1139 3.875,1140 3.904,1141 3.807,1142 3.805,1143 7.427,1144 3.801,1145 3.489,1146 3.506,1147 3.425,1148 3.333,1149 6.351,1150 3.344,1151 3.18,1152 3.209,1153 3.09,1154 2.952,1155 4.763,1156 2.956,1157 3.096,1158 3.112,1159 2.98,1160 2.889,1161 4.685,1162 2.931,1163 2.854,1164 2.925,1165 2.687,1166 2.735,1167 3.85,1168 2.715,1169 2.603,1170 2.672,1171 2.455,1172 2.395,1173 3.674,1174 2.409,1175 2.452,1176 2.52,1177 2.268,1178 2.121,1179 3.586,1180 2.142,1181 0.218,1182 0.183,1183 0.328,1184 0.202,1185 0.156,1186 4.585,1187 0.202,1188 3.837,1189 0.114,1190 6.896,1191 0.548,1192 4.244,1193 0.151,1194 3.274,1195 4.235,1196 2.397,1197 11.512,1198 3.181,1199 1.914,1200 1.891,1201 2.024,1202 2.001,1203 1.194,1204 2.008,1205 1.669,1206 1.64,1207 1.852,1208 1.82,1209 1.089,1210 1.828,1211 1.557,1212 1.513,1213 1.665,1214 1.767,1215 0.919,1216 1.738,1217 1.4,1218 1.353,1219 1.583,1220 1.542,1221 0.682,1222 1.558,1223 0.985,1224 0.965,1225 1.181,1226 1.276,1227 0.229,1228 1.223,1229 0.886,1230 0.821,1231 1.17,1232 1.081,1233 0.218,1234 1.107,1235 0.783,1236 0.761,1237 0.983,1238 1.062,1240 1.065,1241 0.374,1242 0.323,1243 0.783,1244 0.71,1246 0.726,1247 3.761,1249 5.094,1250 3.045,1251 6.621,1252 5.416,1253 8.239,1254 7.535,1255 9.908,1262 9.127,1263 1.147,1267 -0.489,1272 21.327,1273 48.536,1274 107.087,1275 129.594,1276 145.245,1277 148,1278 148,1279 35.639,1280 6.586,1281 59.3,1282 59.3,1283 16,1284 12.353,1285 3.807,1286 3.087,1287 27.76,1288 52,1289 49,1290 0.273,1291 130.767,1292 228.07,1293 310.831,1294 5267,1296 13.405,1297 0.706,1298 0.539,1299 13.405,1300 10.244,1301 9.182,1302 0.437,1303 0.295,1304 6.134,1305 8.884,1306 6.034,1307 4.95,1308 9.182,1309 6.202,1310 8.311,1311 0.277,1312 0.156,1313 8.311,1314 4.67,1315 7.242,1316 0.172,1317 0.085,1318 7.242,1319 3.58,1320 6.179,1321 0.11,1322 0.047,1323 6.179,1324 2.629,1325 4.443,1326 0.071,1327 0.025,1328 4.443,1329 1.584,1330 0.411,1331 57.359,1332 0.268,1333 18.685,1334 0.798,1335 102,1336 317.266,1337 111.28,1338 304.47,1339 406.63,1340 282,1341 123,1342 290.824,1343 132.2,1344 292.811,1345 431.47,1346 277,1347 5.32}
{0 CHEMBL471,1 1.663,2 8.667,3 0.967,4 0.935,5 73.27,6 7.169,7 0.333,8 3.7,9 3.818,10 3.417,11 3.204,12 4.707,13 3.128,14 4.252,15 4.434,16 3.563,17 3.526,18 5.57,19 3.442,20 4.519,21 4.747,22 3.488,23 3.629,24 5.641,25 3.51,26 4.508,27 4.769,28 3.444,29 3.611,30 5.509,31 3.447,32 4.456,33 4.709,34 3.319,35 3.491,36 5.563,37 3.35,38 4.311,39 4.572,40 3.043,41 3.313,42 5.36,43 3.155,44 4.055,45 4.322,46 3.001,47 3.186,48 4.882,49 2.991,50 4.034,51 4.284,52 2.934,53 3.025,54 5.355,55 2.848,56 0.108,57 0.548,58 12.152,59 3.796,60 20.579,61 4.962,62 0.334,63 0.807,64 19.662,65 6.073,66 59.691,67 8.096,68 0.452,69 0.921,70 23.117,71 6.692,72 67.396,73 9.54,74 0.247,75 0.884,76 24.523,77 7.862,78 46.555,79 10.665,80 0.305,81 0.791,82 23.125,83 6.964,84 58.442,85 9.513,86 0.385,87 0.664,88 18.988,89 5.591,90 59.573,91 7.943,92 0.184,93 0.574,94 16.207,95 5.155,96 29.527,97 6.982,98 0.375,99 0.507,100 17.208,101 4.493,102 74.513,103 6.203,104 47,105 25,106 0.307,107 0.627,108 0.782,109 0.801,110 0.801,111 0.801,112 2.958,113 1.277,114 -1.94,115 -1.99,116 -1.99,118 31.6,119 2,123 1,124 1,126 2,137 4,138 1,139 1,162 4,165 1,169 2,171 5,174 5,183 1,184 5,187 2,192 4,197 5,204 4,209 4,212 2,217 2,221 1,225 4,235 1,239 4,248 2,262 2,264 2,272 368,273 11.016,274 11.016,275 11.016,276 11.016,277 11.016,278 9.941,279 16.632,280 6.488,281 11.235,282 8.882,283 8.882,284 8.882,285 8.882,286 8.882,287 7.21,288 21.649,289 3.117,290 9.27,291 3.585,292 1.845,293 1.007,294 0.902,295 0.902,296 0.902,297 3.579,300 1,301 1,302 300,303 4,307 66.541,314 1.667,315 25.182,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 40,327 156,328 4.644,329 4.311,330 6.455,331 4.076,332 3.14,333 4.441,334 0.765,335 10.196,336 2.924,337 4.101,338 3.161,339 6.027,340 3.779,341 2.804,342 3.662,343 0.4,344 8.579,345 2.726,346 3.589,347 2.525,348 5.203,349 3.261,350 2.3,351 2.864,353 6.552,354 2.203,355 3.204,356 2.373,357 4.672,358 3.107,359 2.147,360 2.22,362 5.192,363 2.058,364 2.592,365 1.603,366 4.101,367 2.357,368 1.396,369 1.602,371 3.606,372 1.334,373 2.5,374 1,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 1.485,383 0.822,384 3.13,385 1.337,386 0.413,387 0.429,389 0.895,390 0.379,391 1.192,392 0.716,393 2.712,394 0.909,395 -0.035,396 -0.041,398 -0.092,399 -0.032,400 1,401 0.091,402 2,403 0.16,404 -0.824,405 -0.979,407 -2,408 -0.752,409 0.548,410 -0.559,411 2,413 -1,414 -1,416 -2.248,417 -0.83,418 0.5,419 -0.768,420 2,422 -1,423 -1,425 -2.525,426 -0.914,427 0.228,428 -1,429 2,431 -1,432 -1.262,434 -3,435 -1,437 -1,438 1.7,439 -0.089,440 -1,441 -1.5,443 -3,444 -1,446 -1,447 1.368,448 -0.208,449 -1,450 -1.703,452 -3,453 -1,454 -0.481,455 -1.253,456 1,457 -0.632,458 -1.575,459 -1.921,461 -4.156,462 -1.478,463 8.633,464 0.48,465 0.723,466 0.04,467 20,468 1.111,469 9.5,470 0.528,471 10.5,472 0.583,473 14.635,474 0.813,475 21.967,476 0.578,477 13.856,478 0.77,479 3.719,480 0.207,481 4.558,482 0.253,483 0.29,484 0.097,485 0.232,490 0.683,491 1.517,492 0.954,493 1.416,494 0.823,495 1.145,496 0.676,497 1.326,498 1.11,499 1.26,500 0.558,501 1.084,502 1.279,503 0.903,504 0.942,505 0.793,506 1.19,507 1.02,508 0.721,509 1.04,510 0.834,511 1.002,512 0.614,513 0.985,514 1.03,515 1.021,516 0.876,517 0.965,518 0.996,519 0.977,520 1.148,521 0.822,522 0.809,523 0.728,524 1.138,525 0.946,526 0.486,527 0.997,528 0.869,529 1.098,530 0.524,531 1.092,532 0.659,533 1.176,534 1.117,535 1.264,536 0.684,537 1.12,538 6,539 0.099,540 2,541 1.125,542 0.902,543 0.521,544 0.384,545 0.247,546 0.14,547 0.06,548 2516,549 7865,550 1.805,551 52.6,553 11,556 3,558 6,561 1.581,562 1.624,563 3.089,564 1.251,566 1,568 1,570 63.208,571 1.663,572 3.403,573 4.241,574 4.346,575 4.346,576 4.346,577 2.51,578 3.419,579 4.136,580 3.291,581 503.481,582 6.996,583 4939.03,584 1,585 1,588 199.421,589 1.772,590 4.03,591 0.333,592 0.02,593 0.08,594 0.054,595 0.045,596 0.029,597 0.03,598 0.022,599 0.014,600 0.01,601 0.637,602 0.5,603 1,604 1.928,605 78.101,606 0.04,607 -0.115,608 0.232,609 -0.046,610 -0.205,611 0.027,612 0.219,613 -0.133,614 -0.052,615 -0.127,616 0.281,617 -0.032,618 -0.21,619 0.124,620 -0.133,621 0.05,622 -0.168,623 -0.085,624 0.013,625 -0.085,626 0.067,627 -0.033,628 0.057,629 0.022,630 -0.072,631 -0.108,632 0.001,633 -0.053,634 -0.021,635 -0.006,636 -0.112,637 0.054,638 -0.04,639 0.07,640 -0.141,641 -0.019,642 0.098,643 -0.004,644 0.059,645 -0.092,646 -0.025,647 -0.069,648 0.333,649 -0.239,650 -0.027,651 -0.221,652 0.336,653 -0.141,654 4.173,655 4.026,656 0.333,657 15.16,658 1.006,659 1.139,660 0.709,661 0.503,662 0.628,663 2.944,664 3.258,665 3.219,666 3.367,667 3.497,668 3.434,669 3.497,670 3.434,671 2.944,672 2.708,673 5.385,674 0.582,675 272.41,676 2.944,677 4.466,678 5.22,679 6.08,680 6.86,681 7.718,682 8.511,683 9.368,684 10.169,685 11.025,686 5.3,688 1,691 1,701 4,706 2,708 6,724 38,726 8,727 1,728 18,730 38,731 12,732 6,733 2,734 4,737 1,738 1,743 2,749 2,751 6,752 6,754 2,756 1,758 2,763 1,764 1,767 20,768 5,769 3,770 6,771 1,773 2,777 1,778 3,780 1,789 1,805 1,808 1,810 1,813 1,815 3,819 18,823 1,826 1,827 1,828 2,831 2,839 7.9,840 1,842 2,846 11.083,847 7.2,848 3.903,849 2.074,850 1.339,851 1.237,852 0.877,853 5.29,854 6.981,855 3.178,856 3.75,857 3.897,858 4.387,859 4.851,860 4.89,861 5.177,862 5.282,863 4.505,864 4.365,865 0.833,866 21,867 6.808,869 2.919,870 0.006,871 8.134,872 12.521,874 9.89,876 2.634,877 47.417,878 0.001,881 200.109,882 76.601,883 34.416,885 86.996,887 5.807,888 70.794,889 287.105,890 34.416,891 24.841,892 2.106,893 104.407,894 60.718,895 5.942,897 200.109,899 200.109,900 105.21,901 86.996,902 5.807,904 129.482,905 114.94,906 42.683,908 37.767,909 51.038,910 22.212,912 200.109,913 121.412,914 76.601,916 5.807,917 200.109,918 8.048,919 62.746,920 34.416,921 86.996,922 200.109,923 121.412,924 76.601,926 0.588,927 0.267,928 0.126,929 0.074,930 10,931 6,932 0.158,933 6,935 1,936 2.938,937 111.598,939 6,940 67.059,943 1,944 15.124,945 6.296,946 6,948 121.412,949 6.685,954 1.243,956 77.099,957 398.122,958 23,960 -3.257,962 22.053,967 38.214,968 43.282,969 0.317,970 0.648,971 0.808,972 0.828,973 0.828,974 0.828,975 4.413,976 -0.035,977 5.283,978 0.895,979 3.932,980 4.431,981 0.912,982 6.057,983 3.846,984 5.66,985 -0.824,986 6.838,987 -0.092,988 3.892,989 4.718,991 7.248,992 3.718,993 7.015,994 -1,995 8.5,996 -2,997 5.587,998 6.723,999 0.551,1000 10.043,1001 5.402,1002 8.407,1003 -1,1004 10.219,1005 -2.248,1006 6.217,1007 7.722,1009 11.927,1010 5.931,1011 9.829,1012 -1,1013 11.973,1014 -2.525,1015 7.536,1016 9.378,1017 0.342,1018 14.373,1019 7.232,1020 11.272,1021 -1,1022 13.751,1023 -3,1024 8.435,1025 10.645,1027 16.51,1028 8.034,1029 12.732,1030 -1,1031 15.544,1032 -3,1033 9.626,1034 12.19,1035 0.211,1036 18.854,1037 9.19,1038 3.14,1039 -1.575,1040 17.349,1041 -3,1042 10.645,1043 13.571,1045 21.09,1046 10.12,1047 2.804,1048 10.196,1049 19.163,1050 -4.156,1051 11.789,1052 15.076,1053 0.128,1054 23.404,1055 11.216,1056 2.3,1057 8.579,1058 20.984,1059 4.441,1060 12.865,1061 16.509,1063 25.682,1064 12.208,1065 2.147,1066 6.552,1067 22.81,1068 3.662,1069 13.994,1070 17.999,1071 0.077,1072 27.99,1073 13.279,1074 1.396,1075 5.192,1076 24.641,1077 2.864,1078 15.097,1079 19.458,1081 30.287,1082 14.303,1083 1,1084 3.606,1085 26.476,1086 2.22,1087 16.223,1088 20.945,1089 0.046,1090 32.596,1091 15.364,1092 0.413,1093 2.275,1094 28.314,1095 1.602,1096 17.34,1097 22.417,1099 34.902,1100 16.404,1101 2768,1102 5045,1103 10.633,1104 23.875,1105 26.34,1106 27.964,1107 27.117,1108 26.456,1109 26.4,1110 33.435,1111 2.329,1112 74.59,1113 25.247,1114 5.514,1115 6.311,1116 5.869,1117 5.076,1118 5.14,1119 7.441,1120 1.529,1121 16.358,1122 4.924,1123 12.626,1124 1.463,1125 1.554,1126 1.506,1127 1.47,1128 1.467,1129 1.857,1130 0.129,1131 4.144,1132 1.403,1133 4.027,1134 4.027,1135 4.716,1136 3.977,1137 7.718,1138 3.911,1139 3.839,1140 3.833,1141 3.852,1142 3.788,1143 6.999,1144 3.693,1145 3.674,1146 3.736,1147 3.533,1148 3.503,1149 6.45,1150 3.496,1151 3.355,1152 3.413,1153 3.208,1154 3.184,1155 4.721,1156 3.176,1157 2.874,1158 3.009,1159 2.687,1160 2.735,1161 4.355,1162 2.715,1163 2.86,1164 2.964,1165 2.679,1166 2.646,1167 3.886,1168 2.641,1169 2.854,1170 2.925,1171 2.499,1172 2.618,1173 3.715,1174 2.57,1175 2.689,1176 2.783,1177 2.407,1178 2.371,1179 3.674,1180 2.334,1181 0.258,1182 0.239,1183 0.359,1184 0.226,1185 0.174,1186 4.644,1187 0.247,1188 4.311,1189 0.042,1190 6.455,1191 0.566,1192 4.076,1193 0.162,1194 3.14,1195 4.441,1196 0.765,1197 10.196,1198 2.924,1199 1.938,1200 1.92,1201 2.034,1202 2.04,1203 1.221,1204 2.059,1205 1.7,1206 1.714,1207 1.924,1208 1.897,1209 1.098,1210 1.928,1211 1.639,1212 1.584,1213 1.64,1214 1.788,1215 0.966,1216 1.846,1217 1.335,1218 1.278,1219 1.581,1220 1.556,1221 0.799,1222 1.579,1223 0.934,1224 0.821,1225 1.417,1226 1.239,1227 0.469,1228 1.308,1229 0.886,1230 0.804,1231 1.181,1232 1.14,1233 0.244,1234 1.163,1235 0.841,1236 0.751,1237 1.122,1238 1.062,1239 0.218,1240 1.107,1241 0.603,1242 0.523,1243 0.897,1244 1.01,1246 1.011,1247 3.611,1249 4.92,1251 6.378,1253 7.903,1255 9.465,1257 5.111,1262 9.892,1263 0.469,1264 5.508,1267 -0.287,1272 22.116,1273 63.208,1274 129.316,1275 161.157,1276 165.157,1277 165.157,1278 165.157,1279 54.012,1280 5.642,1281 78.43,1282 86.81,1283 6,1284 11.591,1285 3.17,1286 2.585,1287 42.051,1288 58,1289 50,1290 0.372,1291 146.411,1292 251.86,1293 349.003,1294 1490,1296 13.759,1297 0.764,1298 0.648,1299 14.009,1300 11.66,1301 8.277,1302 0.46,1303 0.426,1304 5.853,1305 7.215,1306 5.417,1307 4.6,1308 9.203,1309 7.661,1310 8.494,1311 0.34,1312 0.253,1313 9.876,1314 6.323,1315 4.797,1316 0.2,1317 0.122,1318 5.247,1319 2.925,1320 3.659,1321 0.131,1322 0.072,1323 4.194,1324 2.017,1325 2.826,1326 0.088,1327 0.039,1328 3.191,1329 1.262,1330 0.586,1331 61.34,1332 0.307,1333 18.452,1334 1.004,1335 86,1336 277.147,1337 126.052,1338 285.988,1339 366.52,1340 258,1341 92,1342 228.756,1343 138.267,1344 264.821,1345 368.7,1346 243,1347 2.55}
{0 CHEMBL473417,1 1.875,2 11,3 4.266,4 18.197,5 105.284,6 10.276,7 0.621,8 3.825,9 3.892,10 3.797,11 3.538,12 5.021,13 3.485,14 4.313,15 4.405,16 4.106,17 3.898,18 5.766,19 3.846,20 4.57,21 4.697,22 4.204,23 4.019,24 5.923,25 3.951,26 4.566,27 4.703,28 4.255,29 3.94,30 5.987,31 3.87,32 4.51,33 4.672,34 4.099,35 3.847,36 5.911,37 3.776,38 4.342,39 4.499,40 3.899,41 3.757,42 5.548,43 3.661,44 4.282,45 4.424,46 3.874,47 3.638,48 5.915,49 3.562,50 4.186,51 4.361,52 3.704,53 3.547,54 5.451,55 3.45,56 0.121,57 0.537,58 5.17,59 3.7,60 18.807,61 3.534,62 0.33,63 0.851,64 11.767,65 6.341,66 50.95,67 6.429,68 0.507,69 1.056,70 19.125,71 8.313,72 71.876,73 7.883,74 0.617,75 1.017,76 24.524,77 8.381,78 75.648,79 8.009,80 0.677,81 0.944,82 22.889,83 8.036,84 93.524,85 8.392,86 0.397,87 0.813,88 21.741,89 7.015,90 53.031,91 7.69,92 0.625,93 0.768,94 17.314,95 6.339,96 92.637,97 6.943,98 0.405,99 0.706,100 14.978,101 6.002,102 60.189,103 6.141,104 38,105 42,106 0.324,107 0.612,108 0.761,109 0.89,110 0.898,111 0.898,112 3.34,113 1.078,114 -4.43,115 -4.36,116 -4.11,118 46.3,123 1,137 9,138 2,139 4,140 1,141 1,150 1,162 6,165 1,166 4,169 1,171 3,174 11,179 7,184 3,187 8,192 9,197 3,200 7,204 7,207 1,209 2,212 8,222 1,225 11,230 3,231 3,234 2,236 1,239 9,245 2,253 3,259 8,267 8,272 1072,273 17.471,274 17.471,275 17.471,276 17.471,277 17.471,278 14.838,279 13.875,280 10.094,281 18.032,282 14.291,283 14.291,284 14.291,285 14.291,286 14.291,287 10.311,288 15.403,289 4.782,290 15.318,291 3.482,292 1.817,293 0.958,294 0.214,295 0.165,296 0.165,297 4.014,298 2,300 1,301 1,302 625,303 3.674,307 284.132,314 1.63,315 40.614,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 58.667,327 297,328 4.811,329 5.18,330 7.119,331 4.204,332 3.33,333 4.673,334 2.95,335 11.704,336 2.951,337 4.402,338 3.623,339 6.474,340 3.998,341 3.038,342 4.079,343 1.058,344 10.055,345 2.881,346 4.284,347 3.22,348 6.387,349 3.873,350 2.913,351 3.88,353 9.643,354 2.729,355 3.782,356 2.949,357 5.385,358 3.348,359 2.391,360 3.301,362 7.023,363 2.282,364 3.514,365 2.523,366 5.065,367 3.026,368 2.108,369 2.851,371 5.822,372 1.899,373 3.288,374 2.423,375 4.855,376 2.793,377 1.831,378 2.56,380 5.307,381 1.725,382 2.968,383 2.388,384 4.454,385 2.491,386 1.526,387 2.157,389 4.11,390 1.43,391 2.956,392 1.608,393 4.029,394 2.422,395 1.505,396 2.114,398 3.51,399 1.302,400 2.623,401 1.585,402 3.845,403 2.106,404 1.108,405 1.614,407 2.925,408 1.091,409 2.5,410 1,411 3.48,412 1.992,413 1,414 1.5,416 2.477,417 0.991,418 2.5,419 1,420 3.247,421 1.955,422 1,423 1.5,425 2.136,426 0.953,427 1.477,428 0.86,429 2.974,430 1.063,431 0.187,432 0.228,434 0.443,435 0.141,436 1.175,437 0.786,438 2.749,439 0.686,440 -0.183,441 -0.228,443 -0.442,444 -0.129,445 1,446 0.41,447 2.569,448 0.52,449 -0.461,450 -0.61,452 -1.154,453 -0.41,454 0.935,455 0.203,456 2.347,457 0.22,458 -0.689,459 -0.901,461 -1.797,462 -0.582,463 13.562,464 0.502,465 0.919,466 0.034,467 39.75,468 1.472,469 23,470 0.852,471 16.75,472 0.62,473 19.626,474 0.727,475 27.838,476 0.679,477 30.571,478 1.132,479 7.724,480 0.286,481 5.029,482 0.186,483 0.216,484 0.061,485 0.295,490 0.502,491 1.1,492 0.624,493 0.966,494 0.629,495 0.773,496 0.629,497 1.148,498 0.796,499 1.001,500 0.578,501 0.878,502 1.212,503 1.078,504 0.999,505 0.931,506 1.151,507 0.962,508 1.112,509 1.123,510 0.976,511 1.026,512 1.103,513 1.061,514 1.031,515 0.827,516 0.938,517 0.834,518 1.055,519 0.919,520 0.949,521 1.025,522 1.203,523 1.085,524 0.809,525 1.092,526 0.616,527 0.975,528 0.99,529 1.012,530 0.561,531 1.066,532 1.211,533 0.787,534 0.86,535 0.695,536 1.221,537 0.832,538 7,539 0.157,540 3.778,541 2.313,542 1.658,543 1.014,544 0.628,545 0.389,546 0.39,547 0.176,548 8591,549 33417,550 1.984,551 34.1,553 12,555 1,556 1,561 1.699,562 1.81,563 3.421,564 -0.272,566 1,570 76.891,571 1.875,572 3.54,573 4.399,574 5.144,575 5.193,576 5.193,577 2.89,578 4.282,579 4.728,580 3.606,581 1265.81,582 8.199,583 16349.1,585 1,587 1,588 219.66,589 1.698,590 4.65,591 0.241,592 0.008,593 0.09,594 0.054,595 0.043,596 0.029,597 0.021,598 0.013,599 0.016,600 0.007,601 0.522,602 0.17,603 1,604 0.834,605 134.374,606 0.041,607 -0.034,608 0.079,609 -0.032,610 -0.13,611 0.035,612 0.112,613 -0.115,614 -0.048,615 -0.079,616 0.175,617 -0.029,618 -0.24,619 -0.079,620 -0.127,621 -0.016,622 -0.162,623 -0.062,624 -0.061,625 -0.134,626 -0.01,627 -0.113,628 -0.078,629 -0.139,630 0.023,631 0.115,632 0.034,633 0.058,634 -0.032,635 0.063,636 -0.106,637 -0.087,638 -0.14,639 -0.154,640 -0.114,641 -0.093,642 0.404,643 0.001,644 -0.048,645 -0.1,646 0.435,647 -0.116,648 -0.205,649 0.18,650 0.05,651 0.257,652 -0.176,653 0.181,654 4.322,655 5.535,656 0.667,657 24.412,658 1.027,659 1.106,660 3.199,661 10.233,662 0.758,663 3.401,664 3.761,665 3.97,666 4.174,667 4.382,668 4.394,669 4.511,670 4.407,671 4.5,672 4.5,673 6.589,674 0.725,675 421.32,676 3.401,677 4.963,678 5.802,679 6.688,680 7.546,681 8.431,682 9.296,683 10.179,684 11.048,685 11.93,686 4.9,693 1,696 1,701 10,702 1,706 7,708 18,714 1,723 2,724 41,726 21,727 2,728 29,730 43,731 19,732 17,733 6,734 6,735 1,737 3,738 3,739 2,751 18,752 1,754 3,756 1,758 3,761 1,764 1,767 14,768 5,769 1,770 8,771 3,773 2,777 1,778 3,782 1,789 3,810 3,813 1,815 1,816 2,819 27,822 1,828 1,838 2,839 7.3,842 3,846 14.917,847 7.736,848 5.778,849 2.174,850 3.35,851 1.47,852 0.998,853 5.633,854 10.478,855 3.738,856 4.401,857 4.907,858 5.448,859 5.989,860 6.18,861 6.593,862 6.639,863 6.977,864 7.275,865 1,866 43,867 10.141,869 4.585,870 0.006,871 8.129,872 18.35,874 15.059,876 2.629,877 70.972,880 1,881 153.024,882 132.711,883 34.796,884 78.297,885 69.458,887 6.046,888 126.665,889 300.779,890 34.796,891 7.19,892 18.011,893 91.332,894 102.719,895 29.484,897 141.253,898 78.297,899 153.024,900 161.462,901 69.458,902 84.343,904 153.024,905 69.458,908 29.815,909 114.861,910 101.129,912 153.024,913 104.254,914 211.009,916 6.046,917 153.024,918 25.141,919 101.524,920 18.011,921 164.541,922 153.024,923 104.254,924 211.009,926 0.597,927 0.337,928 0.17,929 0.093,930 20,931 10,932 0.093,933 4,935 1,936 3.768,937 225.844,939 18,940 124.382,943 1,944 19.526,945 7.79,946 4.546,948 104.254,949 16.113,950 4.26,954 2.624,956 18.011,957 468.287,958 41,960 -3.405,962 35.703,965 -0.464,967 42.095,968 45.339,969 0.35,970 0.661,971 0.821,972 0.96,973 0.969,974 0.969,975 4.98,976 1.505,977 5.844,978 4.11,979 4.443,980 5.088,981 3.027,982 6.696,983 4.306,984 6.248,985 1.108,986 7.445,987 3.51,988 4.29,989 5.19,991 7.874,992 3.981,993 7.607,994 1,995 9.157,996 2.925,997 6.133,998 7.417,999 5.043,1000 10.876,1001 5.85,1002 9.006,1003 1,1004 10.936,1005 2.477,1006 6.746,1007 8.291,1009 12.827,1010 6.276,1011 10.437,1012 0.187,1013 12.755,1014 2.136,1015 8.148,1016 10.071,1017 7.187,1018 15.425,1019 7.683,1020 11.892,1021 -0.183,1022 14.603,1023 0.443,1024 9.08,1025 11.284,1027 17.663,1028 8.444,1029 13.365,1030 -0.461,1031 16.47,1032 -0.442,1033 10.326,1034 12.898,1035 9.348,1036 20.137,1037 9.658,1038 3.33,1039 -0.689,1040 18.353,1041 -1.154,1042 11.393,1043 14.268,1045 22.487,1046 10.576,1047 3.038,1048 11.704,1049 20.247,1050 -1.797,1051 12.585,1052 15.818,1053 11.511,1054 24.926,1055 11.704,1056 2.913,1057 10.055,1058 22.15,1059 4.673,1060 13.71,1061 17.264,1063 27.324,1064 12.696,1065 2.391,1066 9.643,1067 24.06,1068 4.079,1069 14.886,1070 18.792,1071 13.675,1072 29.756,1073 13.786,1074 2.108,1075 7.023,1076 25.976,1077 3.88,1078 16.038,1079 20.276,1081 32.177,1082 14.815,1083 1.831,1084 5.822,1085 27.897,1086 3.301,1087 17.211,1088 21.798,1089 15.838,1090 34.612,1091 15.889,1092 1.526,1093 5.307,1094 29.822,1095 2.851,1096 18.377,1097 23.303,1099 37.045,1100 16.935,1101 8456,1102 16827,1103 18.493,1104 31.068,1105 44.278,1106 47.336,1107 45.113,1108 44.199,1109 43.875,1110 60.912,1111 8.017,1112 130.313,1113 40.751,1114 5.646,1115 7.18,1116 6.921,1117 5.243,1118 5.33,1119 7.673,1120 5.9,1121 18.796,1122 4.951,1123 16.338,1124 1.527,1125 1.632,1126 1.556,1127 1.524,1128 1.513,1129 2.1,1130 0.276,1131 4.494,1132 1.405,1133 4.09,1134 4.072,1135 4.737,1136 4.1,1137 7.716,1138 4.011,1139 3.982,1140 3.995,1141 4.06,1142 3.925,1143 7.429,1144 3.916,1145 3.76,1146 3.788,1147 3.951,1148 3.67,1149 6.999,1150 3.652,1151 3.677,1152 3.666,1153 3.71,1154 3.62,1155 4.998,1156 3.57,1157 3.245,1158 3.278,1159 3.447,1160 3.039,1161 4.884,1162 3.06,1163 2.941,1164 2.99,1165 3.24,1166 2.853,1167 4.789,1168 2.842,1169 2.878,1170 2.922,1171 3.052,1172 2.795,1173 4.37,1174 2.767,1175 2.829,1176 2.872,1177 2.832,1178 2.719,1179 4.275,1180 2.709,1181 0.166,1182 0.179,1183 0.245,1184 0.145,1185 0.115,1186 4.811,1187 0.161,1188 5.18,1189 0.102,1190 7.119,1191 0.404,1192 4.204,1193 0.102,1194 3.33,1195 4.673,1196 2.95,1197 11.704,1198 2.951,1199 1.985,1200 1.998,1201 2.028,1202 2.056,1203 1.221,1204 2.077,1205 1.944,1206 1.928,1207 1.953,1208 2.007,1209 1.137,1210 2.033,1211 1.723,1212 1.69,1213 1.841,1214 1.845,1215 0.881,1216 1.854,1217 1.57,1218 1.591,1219 1.584,1220 1.688,1221 0.83,1222 1.734,1223 1.131,1224 1.096,1225 1.272,1226 1.384,1227 0.315,1228 1.361,1229 0.959,1230 0.913,1231 1.188,1232 1.093,1233 0.267,1234 1.128,1235 0.868,1236 0.824,1237 1.1,1238 1.021,1239 0.172,1240 1.065,1241 0.803,1242 0.76,1243 1.063,1244 0.993,1245 0.12,1246 1.024,1247 4.078,1249 5.425,1251 6.961,1253 8.578,1255 10.235,1257 1.075,1258 12.331,1264 2.735,1272 29.717,1273 76.891,1274 145.156,1275 180.375,1276 210.905,1277 212.905,1278 212.905,1279 67.393,1280 7.128,1281 76.13,1282 84.51,1283 18,1284 12.467,1285 4.459,1286 3.7,1287 47.09,1288 108,1289 93,1290 0.215,1291 194.945,1292 338.38,1293 467.425,1294 11431,1295 4.9,1296 19.604,1297 0.726,1298 0.609,1299 20.854,1300 16.438,1301 12.753,1302 0.44,1303 0.359,1304 7.927,1305 11.082,1306 7.47,1307 6.182,1308 14.225,1309 10.422,1310 12.448,1311 0.296,1312 0.205,1313 14.577,1314 8.608,1315 9.518,1316 0.183,1317 0.106,1318 10.952,1319 5.531,1320 7.633,1321 0.119,1322 0.057,1323 8.868,1324 3.623,1325 6.053,1326 0.077,1327 0.032,1328 7.27,1329 2.551,1330 0.34,1331 94.252,1332 0.233,1333 25.966,1334 0.585,1335 142,1336 482.452,1337 215.987,1338 549.631,1339 711.25,1340 502,1341 165,1342 439.805,1343 236.075,1344 499.81,1345 720.67,1346 466,1347 5.241}
{0 CHEMBL498,1 1.971,2 8.294,3 2.058,4 4.235,5 65.432,6 9.226,7 0.353,8 3.49,9 3.583,10 3.428,11 3.064,12 4.604,13 3.004,14 4.016,15 4.161,16 3.674,17 3.393,18 5.525,19 3.306,20 4.241,21 4.432,22 3.719,23 3.452,24 5.506,25 3.351,26 4.195,27 4.374,28 3.557,29 3.245,30 5.858,31 3.192,32 3.975,33 4.155,34 3.437,35 3.077,36 5.362,37 3.018,38 3.879,39 4.03,40 3.377,41 2.957,42 5.466,43 2.926,44 3.693,45 3.872,46 2.82,47 2.869,48 4.971,49 2.755,50 3.612,51 3.822,52 2.737,53 2.73,54 4.892,55 2.593,56 0.121,57 0.444,58 6.978,59 3.004,60 20.032,61 3.212,62 0.429,63 0.639,64 11.945,65 5.069,66 54.396,67 5.807,68 0.47,69 0.707,70 22.749,71 6.484,72 67.125,73 7.137,74 0.737,75 0.622,76 21.636,77 5.422,78 118.906,79 5.633,80 0.448,81 0.505,82 18.458,83 4.602,84 74.109,85 4.473,86 0.571,87 0.432,88 15.275,89 3.733,90 86.983,91 3.52,92 0.319,93 0.377,94 13.442,95 3.814,96 50.403,97 4.021,98 0.35,99 0.32,100 10.03,101 3.151,102 54.423,103 3.912,104 32,105 23,106 0.381,107 0.693,108 0.802,109 0.828,110 0.828,111 0.828,112 2.906,113 1.214,114 -2.66,115 -2.67,116 -2.6,118 33.3,119 1,120 1,124 1,137 4,139 2,151 1,162 3,165 1,169 4,170 1,171 1,174 4,179 4,184 3,187 4,191 2,192 5,195 2,197 3,204 3,209 3,217 6,222 3,231 2,239 2,245 1,250 1,253 4,267 2,272 350,273 10.809,274 10.809,275 10.809,276 10.809,277 10.809,278 9.615,279 9.913,280 6.559,281 11.163,282 8.337,283 8.337,284 8.337,285 8.337,286 8.337,287 6.464,288 7.293,289 3.066,290 8.961,291 2.936,292 1.322,293 0.758,294 0.625,295 0.625,296 0.625,297 3.525,298 1,300 1,301 1,302 274,303 3.742,307 62.954,314 1.287,315 30.33,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 38.333,327 141,328 4.854,329 4.689,330 7.306,331 4.308,332 3.389,333 4.704,334 1.629,335 12.497,336 3.085,337 3.846,338 3.497,339 5.246,340 3.361,341 2.428,342 3.399,343 0.142,344 6.479,345 2.259,346 3.573,347 2.897,348 5,349 3.182,350 2.234,351 2.754,353 5.901,354 2.063,355 3.057,356 1.789,357 4.561,358 2.532,359 1.588,360 2.253,362 4.511,363 1.439,364 2.5,365 1.688,366 3.418,367 2.34,368 1.35,369 1.5,371 2.489,372 1.321,373 2.443,374 1,375 3.414,376 2,377 1,378 1.422,380 2.275,381 1,382 1.305,383 0.79,384 2.973,385 1.187,386 0.231,387 0.239,389 0.366,390 0.219,391 1.12,392 0.628,393 2.592,394 0.64,395 -0.204,396 -0.252,398 -0.448,399 -0.136,400 1,401 0.238,402 2,403 0.524,404 -0.474,405 -0.602,407 -1.233,408 -0.471,409 1,410 -0.193,411 2,412 0.018,413 -1,414 -1.177,416 -1.809,417 -0.887,418 0.5,419 -0.622,420 2,422 -1,423 -1.5,425 -3,426 -1,427 0.185,428 -1,429 1.65,431 -1,432 -1.538,434 -3,435 -1,436 -0.015,437 -1,438 1.247,439 -0.532,440 -1.247,441 -1.899,443 -3.065,444 -1.02,445 -0.332,446 -1.253,447 1,448 -0.629,449 -1.588,450 -2,452 -3.817,453 -1.481,454 -0.5,455 -1.392,456 0.871,457 -0.881,458 -1.772,459 -2,461 -5.275,462 -1.618,463 8.348,464 0.491,465 0.546,466 0.032,467 20.75,468 1.221,469 10.5,470 0.618,471 10.25,472 0.603,473 11.785,474 0.693,475 19.852,476 0.662,477 14.68,478 0.864,479 3.974,480 0.234,481 3.98,482 0.234,483 0.265,484 0.1,485 0.18,490 0.544,491 1.494,492 0.719,493 1.267,494 0.648,495 0.969,496 0.437,497 1.026,498 0.737,499 0.93,500 0.502,501 0.972,502 1.034,503 1.144,504 1.002,505 1.088,506 0.993,507 0.931,508 1.267,509 0.939,510 1.097,511 0.948,512 1.213,513 0.873,514 1.515,515 1.073,516 0.776,517 0.855,518 1.614,519 0.823,520 1.585,521 0.878,522 1.096,523 0.972,524 1.72,525 0.934,526 1.341,527 1.012,528 1.265,529 1.159,530 1.338,531 1.137,532 0.853,533 0.815,534 0.727,535 0.825,536 1.041,537 1.141,538 5,539 0.029,540 2.444,541 1.375,542 0.822,543 0.604,544 0.203,545 0.134,546 0.057,547 0.046,548 2027,549 8325,550 1.825,551 43.3,552 3,553 6,556 2,558 2,561 1.569,562 1.659,563 3.021,564 0.584,566 1,567 1,568 1,570 59.127,571 1.971,572 3.585,573 4.148,574 4.282,575 4.282,576 4.282,577 2.514,578 3.617,579 4.052,580 3.13,581 425.646,582 6.854,583 3879.25,585 1,587 1,588 147.207,589 1.713,590 3.962,591 0.294,592 0.014,593 0.106,594 0.063,595 0.041,596 0.038,597 0.015,598 0.013,599 0.008,600 0.011,601 0.604,602 0.5,603 1,604 2.202,605 70.967,606 0.038,607 -0.161,608 0.147,609 -0.096,610 -0.13,611 0.016,612 0.363,613 0.121,614 0.069,615 0.048,616 0.268,617 -0.031,618 -0.116,619 -0.146,620 0.026,621 -0.04,622 -0.084,623 0.059,625 0.046,626 -0.118,627 0.011,628 0.138,629 0.011,630 -0.315,631 -0.096,632 0.079,633 0.097,634 -0.265,635 0.074,636 -0.182,637 0.087,638 -0.094,639 -0.036,640 -0.189,641 -0.074,642 -0.315,643 -0.057,644 -0.311,645 -0.147,646 -0.225,647 -0.167,648 0.067,649 0.004,650 0.017,651 -0.055,652 -0.079,653 -0.172,654 4.744,655 4.702,656 0.353,657 11.799,658 1.03,659 1.133,660 1.426,661 2.033,662 0.682,663 2.89,664 3.178,665 3.258,666 3.367,667 3.434,668 3.367,669 3.091,670 2.833,671 2.565,672 2.197,673 4.785,674 0.645,675 276.77,676 2.89,677 4.394,678 5.176,679 6.033,680 6.845,681 7.711,682 8.535,683 9.407,684 10.236,685 11.111,686 6.7,693 2,701 4,706 2,708 6,723 1,724 30,726 9,727 1,728 17,730 30,731 10,732 6,733 2,734 4,737 1,738 1,739 1,742 1,743 1,749 1,751 7,752 3,754 3,756 1,758 3,761 1,763 1,764 1,767 13,768 5,769 2,770 7,771 2,773 2,777 1,778 3,789 1,810 1,813 1,815 1,816 1,819 17,823 1,827 2,828 2,838 1,839 10,842 3,846 10.25,847 5.393,848 3.875,849 1.772,850 1.31,851 1.24,852 0.93,853 5.087,854 6.765,855 3.178,856 3.75,857 4.065,858 4.504,859 4.866,860 4.977,861 4.841,862 4.395,863 4.313,864 3.684,865 0.833,866 22,867 6.522,869 2.94,870 0.006,871 8.384,872 11.429,874 8.865,876 2.884,877 49.028,878 0.001,881 129.482,882 66.505,883 34.416,884 39.149,885 69.458,887 5.807,888 60.698,889 238.089,890 34.416,891 8.825,892 39.056,893 43.712,894 69.458,895 5.051,896 4.276,897 129.482,898 39.149,899 129.482,900 95.113,901 69.458,902 44.956,904 105.94,905 93,908 47.881,909 47.232,910 44.956,912 129.482,913 103.874,914 105.654,916 5.807,917 129.482,918 13.967,919 46.73,920 34.416,921 108.607,922 129.482,923 103.874,924 105.654,926 0.573,927 0.304,928 0.145,929 0.078,930 9,931 5,932 0.133,933 4,935 1,936 2.824,937 104.436,939 6,940 63.487,943 1,944 14.127,945 6.121,946 4.44,948 103.874,949 5.551,954 0.424,956 34.416,957 339.009,958 23,960 -3.827,962 34.634,965 -0.734,967 30.887,968 33.98,969 0.402,970 0.731,971 0.845,972 0.873,973 0.873,974 0.873,975 4.388,976 -0.204,977 5.22,978 0.366,979 3.85,980 4.431,981 1.701,982 6.052,983 3.708,984 5.639,985 -0.474,986 6.815,987 -0.448,988 3.761,989 4.718,990 1.195,991 7.434,992 3.467,993 7.01,994 -1,995 8.541,996 -1.233,997 5.541,998 6.784,999 2.344,1000 10.402,1001 5.222,1002 8.429,1003 -1,1004 10.351,1005 -1.809,1006 6.236,1007 7.853,1008 2.262,1009 12.59,1010 5.757,1011 9.887,1012 -1,1013 12.216,1014 -3,1015 7.62,1016 9.55,1017 3.143,1018 15.237,1019 7.102,1020 11.374,1021 -1.247,1022 14.119,1023 -3,1024 8.636,1025 10.911,1026 3.301,1027 17.665,1028 7.975,1029 12.882,1030 -1.588,1031 16.048,1032 -3.065,1033 9.898,1034 12.504,1035 4.023,1036 20.228,1037 9.176,1038 3.389,1039 -1.772,1040 17.995,1041 -3.817,1042 11.039,1043 13.977,1044 4.321,1045 22.724,1046 10.194,1047 2.428,1048 12.497,1049 19.954,1050 -5.275,1051 12.266,1052 15.539,1053 4.946,1054 25.262,1055 11.344,1056 2.234,1057 6.479,1058 21.923,1059 4.704,1060 13.456,1061 17.055,1062 5.326,1063 27.778,1064 12.423,1065 1.588,1066 5.901,1067 23.898,1068 3.399,1069 14.675,1070 18.607,1071 5.892,1072 30.308,1073 13.556,1074 1.35,1075 4.511,1076 25.877,1077 2.754,1078 15.883,1079 20.141,1080 6.319,1081 32.83,1082 14.662,1083 1,1084 2.489,1085 27.859,1086 2.253,1087 17.101,1088 21.69,1089 6.852,1090 35.357,1091 15.789,1092 0.231,1093 2.275,1094 29.843,1095 1.5,1096 18.316,1097 23.232,1098 7.305,1099 37.882,1100 16.907,1101 2239,1102 4681,1103 10.227,1104 20.449,1105 24.31,1106 26.323,1107 25.954,1108 24.643,1109 24.442,1110 32.541,1111 3.542,1112 69.036,1113 22.771,1114 5.757,1115 6.689,1116 7.171,1117 5.359,1118 5.389,1119 7.704,1120 2.86,1121 19.814,1122 5.085,1123 10.637,1124 1.43,1125 1.548,1126 1.527,1127 1.45,1128 1.438,1129 1.914,1130 0.208,1131 4.061,1132 1.339,1133 4.07,1134 4.044,1135 4.736,1136 4.059,1137 7.718,1138 3.97,1139 3.707,1140 3.762,1141 3.925,1142 3.583,1143 7.429,1144 3.537,1145 3.598,1146 3.613,1147 3.527,1148 3.461,1149 6.999,1150 3.427,1151 3.249,1152 3.285,1153 3.202,1154 2.972,1155 4.928,1156 3,1157 2.854,1158 2.925,1159 3.118,1160 2.735,1161 4.269,1162 2.715,1163 2.801,1164 2.887,1165 2.687,1166 2.587,1167 4.226,1168 2.561,1169 2.639,1170 2.652,1171 2.533,1172 2.457,1173 3.835,1174 2.443,1175 2.178,1176 2.342,1177 2.078,1178 1.776,1179 3.674,1180 1.741,1181 0.286,1182 0.276,1183 0.43,1184 0.253,1185 0.199,1186 4.854,1187 0.277,1188 4.689,1189 0.096,1190 7.306,1191 0.735,1192 4.308,1193 0.181,1194 3.389,1195 4.704,1196 1.629,1197 12.497,1198 3.085,1199 1.95,1200 1.962,1201 1.953,1202 2.016,1203 1.166,1204 2.054,1205 1.652,1206 1.587,1207 1.924,1208 1.873,1209 1.146,1210 1.89,1211 1.47,1212 1.483,1213 1.486,1214 1.665,1215 0.605,1216 1.684,1217 1.118,1218 1.071,1219 1.22,1220 1.393,1221 0.504,1222 1.415,1223 0.886,1224 0.821,1225 1.181,1226 1.067,1227 0.218,1228 1.107,1229 0.761,1230 0.683,1231 0.948,1232 1.062,1233 0.04,1234 1.074,1235 0.526,1236 0.516,1237 0.795,1238 0.742,1240 0.778,1241 0.18,1242 0.018,1243 0.594,1244 0.607,1246 0.653,1247 3.555,1249 4.844,1251 6.323,1253 7.89,1255 9.507,1257 1.869,1258 5.641,1263 1.149,1264 4.32,1272 19.363,1273 59.127,1274 107.555,1275 124.452,1276 128.452,1277 128.452,1278 128.452,1279 51.147,1280 5.455,1281 75.27,1282 83.65,1283 6,1284 11.661,1285 3.322,1286 2.807,1287 38.115,1288 46,1289 56,1290 0.409,1291 132.632,1292 229.83,1293 315.382,1294 1121,1295 3.3,1296 12.889,1297 0.758,1298 0.636,1299 13.639,1300 10.807,1301 7.954,1302 0.468,1303 0.405,1304 5.1,1305 6.576,1306 4.816,1307 4.059,1308 9.063,1309 6.878,1310 7.397,1311 0.322,1312 0.236,1313 9.106,1314 5.434,1315 5.046,1316 0.202,1317 0.139,1318 6.469,1319 3.485,1320 3.761,1321 0.134,1322 0.076,1323 4.985,1324 2.124,1325 2.557,1326 0.085,1327 0.05,1328 3.537,1329 1.489,1330 0.628,1331 61.52,1332 0.313,1333 17.301,1334 1.152,1335 80,1336 318.936,1337 142.529,1338 352.663,1339 445.54,1340 318,1341 88,1342 259.293,1343 152.647,1344 305.792,1345 438.6,1346 284,1347 4.6}
{0 CHEMBL504510,1 1.381,2 13.4,3 4.203,4 17.664,5 96.105,6 7.286,7 0.462,8 3.924,9 4.018,10 3.432,11 3.449,12 5.125,13 3.429,14 4.399,15 4.54,16 3.721,17 3.789,18 5.643,19 3.736,20 4.695,21 4.897,22 3.673,23 3.876,24 5.767,25 3.785,26 4.661,27 4.893,28 3.562,29 3.782,30 5.754,31 3.669,32 4.567,33 4.794,34 3.424,35 3.7,36 5.601,37 3.586,38 4.486,39 4.714,40 3.402,41 3.648,42 5.488,43 3.54,44 4.4,45 4.608,46 3.429,47 3.593,48 5.566,49 3.495,50 4.332,51 4.547,52 3.303,53 3.489,54 5.428,55 3.392,56 0.088,57 0.574,58 9.85,59 4.788,60 19.005,61 5.691,62 0.208,63 0.898,64 16.794,65 7.6,66 43.282,67 9.555,68 0.401,69 1.121,70 25.184,71 9.506,72 68.059,73 12.266,74 0.43,75 1.073,76 24.89,77 9.219,78 72.086,79 12.424,80 0.382,81 0.973,82 22.71,83 8.322,84 66.68,85 11.012,86 0.317,87 0.907,88 20.751,89 7.783,90 52.806,91 10.372,92 0.414,93 0.838,94 18.687,95 7.183,96 53.619,97 9.566,98 0.211,99 0.779,100 17.393,101 6.659,102 37.224,103 8.822,104 24,105 33,106 0.238,107 0.574,108 0.737,109 0.839,110 0.847,111 0.854,112 3.265,113 0.944,114 -4.22,115 -4.16,116 -3.93,118 42.6,120 4,124 1,132 2,137 7,138 2,139 3,150 1,158 1,161 1,162 12,163 1,166 4,169 1,171 5,174 15,175 1,179 4,184 3,187 11,188 1,192 3,196 1,197 5,200 9,201 1,204 3,209 3,212 11,217 1,218 1,222 2,225 10,230 1,231 1,234 1,236 4,239 8,245 2,250 4,253 7,254 2,259 2,264 2,267 4,268 2,272 1014,273 16.568,274 16.568,275 16.568,276 16.568,277 16.568,278 14.731,279 12.847,280 10.294,281 16.792,282 12.882,283 12.882,284 12.882,285 12.882,286 12.882,287 10.094,288 11.195,289 5.004,290 13.26,291 4.174,292 2.222,293 1.275,294 0.681,295 0.638,296 0.596,297 3.932,300 1,301 1,302 684,303 3.674,307 194.644,314 2.544,315 29.969,317 1,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 55,327 335,328 4.19,329 3.596,330 5.671,331 3.761,332 2.781,333 3.847,334 2.341,335 7.943,336 2.724,337 4.045,338 2.925,339 5.486,340 3.619,341 2.646,342 3.656,343 0.86,344 7.377,345 2.578,346 3.588,347 2.894,348 5.137,349 3.243,350 2.251,351 2.911,353 6.398,354 2.223,355 3.55,356 2.423,357 4.84,358 3.191,359 2.224,360 2.71,362 5.543,363 2.122,364 3.313,365 2.232,366 4.659,367 2.936,368 1.962,369 2.577,371 5.184,372 1.902,373 3.232,374 2.082,375 4.618,376 2.816,377 1.879,378 2.481,380 4.963,381 1.749,382 2.741,383 1.82,384 3.739,385 2.66,386 1.671,387 1.739,389 3.425,390 1.646,391 2.5,392 1.431,393 3.414,394 2.026,395 1.071,396 1.5,398 2.275,399 1.011,400 2.413,401 1,402 3.292,403 2,404 1,405 1.216,407 2.234,408 1,409 2.128,410 0.881,411 3.122,412 1.696,413 0.703,414 1.015,416 1.637,417 0.696,418 1.467,419 0.685,420 2.629,421 1.256,422 0.304,423 0.337,425 0.659,426 0.286,427 1.047,428 0.38,429 2.427,430 0.77,431 -0.211,432 -0.247,434 -0.492,435 -0.204,436 1,437 0.001,438 2.382,439 0.588,440 -0.347,441 -0.445,443 -0.891,444 -0.32,445 0.887,446 -0.047,447 2,448 0.494,449 -0.46,450 -0.561,452 -1.143,453 -0.427,454 0.573,455 -0.071,456 2,457 0.292,458 -0.659,459 -0.723,461 -1.481,462 -0.616,463 11.667,464 0.467,465 0.561,466 0.022,467 31,468 1.24,469 16.5,470 0.66,471 14.5,472 0.58,473 18.208,474 0.728,475 27.933,476 0.594,477 22.372,478 0.895,479 6.246,480 0.25,481 5.779,482 0.231,483 0.114,485 0.257,490 0.909,491 1.044,492 0.869,493 1.028,494 0.882,495 0.954,496 0.668,497 1.216,498 0.914,499 1.213,500 0.461,501 1.133,502 1.079,503 1.01,504 1.081,505 1.015,506 0.984,507 1.043,508 0.791,509 0.991,510 0.938,511 0.998,512 0.67,513 1,514 1.018,515 0.926,516 1.057,517 0.939,518 0.99,519 0.995,520 0.902,521 0.909,522 0.962,523 0.918,524 0.832,525 0.947,526 0.661,527 1,528 0.924,529 1.014,530 0.708,531 1.024,532 0.866,533 1.121,534 0.972,535 1.118,536 0.779,537 1.077,538 5.5,539 0.083,540 1.556,541 1.063,542 0.996,543 0.382,544 0.305,545 0.28,546 0.188,547 0.167,548 8262,549 26462,550 1.973,551 46.8,552 4,553 11,556 3,557 2,558 2,561 1.669,562 1.852,563 3.679,564 0.926,566 1,570 64.91,571 1.381,572 3.333,573 4.28,574 4.874,575 4.916,576 4.959,577 3.099,578 4.164,579 4.609,580 3.925,581 1177.38,582 7.918,583 16090.3,585 1,587 1,588 261.066,589 1.359,590 4.575,591 0.212,592 0.006,593 0.047,594 0.035,595 0.038,596 0.017,597 0.013,598 0.012,599 0.009,600 0.01,601 0.399,602 0.33,603 1,604 1.909,605 126.682,606 -0.108,607 0.088,608 -0.02,609 0.087,610 -0.124,611 0.059,612 0.079,613 -0.139,614 -0.038,615 -0.141,616 0.173,617 -0.12,618 -0.137,619 -0.018,620 -0.119,621 -0.024,622 -0.133,623 -0.06,624 0.04,625 -0.023,626 0.028,627 -0.02,628 0.072,629 -0.002,630 -0.124,631 0.044,632 -0.085,633 0.038,634 -0.123,635 -0.006,636 -0.08,637 0.067,638 -0.002,639 0.068,640 -0.089,641 0.053,642 0.173,643 -0.007,644 0.025,645 -0.016,646 0.079,647 -0.026,648 -0.039,649 -0.137,650 -0.02,651 -0.127,652 -0.016,653 -0.079,654 2.425,655 3.452,656 0.48,657 30.867,658 1.008,659 1.119,660 2.987,661 8.923,662 0.652,663 3.296,664 3.526,665 3.611,666 3.784,667 3.912,668 3.871,669 3.829,670 3.892,671 4.007,672 4.043,673 8.077,674 0.625,675 342.42,676 3.296,677 4.779,678 5.549,679 6.368,680 7.154,681 7.978,682 8.772,683 9.599,684 10.399,685 11.229,701 7,706 5,708 12,721 2,722 1,724 47,726 14,727 2,728 26,730 48,731 20,732 12,733 5,734 7,735 2,737 2,738 2,749 4,751 15,752 5,754 2,758 1,759 2,761 1,764 1,767 22,768 5,769 3,770 5,777 1,778 5,789 2,800 1,802 2,808 1,810 2,819 25,826 3,827 5,829 1,839 10.6,841 3,842 1,844 1,846 13.5,847 7.933,848 5.667,849 2.775,850 2.844,851 1.428,852 0.883,853 7.511,854 9.49,855 3.555,856 4.06,857 4.489,858 4.989,859 5.488,860 5.607,861 5.853,862 6.179,863 6.632,864 6.968,865 0.889,866 30,867 9.206,869 3.771,870 0.006,871 8.06,872 17.231,874 13.464,876 2.56,877 64,880 1,881 223.651,882 112.541,885 164.195,888 112.541,889 387.846,892 14.731,893 85.286,894 154.105,895 22.614,897 223.651,899 223.651,900 112.541,901 164.195,904 200.109,905 187.737,908 14.731,909 78.858,910 18.952,912 223.651,913 164.195,914 112.541,917 223.651,918 27.255,919 85.286,921 164.195,922 223.651,923 164.195,924 112.541,926 0.561,927 0.285,928 0.146,929 0.076,930 12,931 6,932 0.188,933 9,935 1,936 3.924,937 174.491,939 12,940 106.096,944 19.032,945 9.867,946 7.416,948 164.195,949 11.993,954 2.486,956 128.05,957 500.387,958 34,962 10.401,963 3.682,965 -0.759,967 47.356,968 52.614,969 0.249,970 0.6,971 0.77,972 0.877,973 0.885,974 0.893,975 4.736,976 1.071,977 5.485,978 3.425,979 4.205,980 4.745,981 2.402,982 6.133,983 4.149,984 5.904,985 1,986 6.94,987 2.275,988 3.611,989 4.388,990 2.243,991 6.653,992 3.501,993 7.162,994 0.703,995 8.482,996 2.234,997 5.645,998 6.815,999 3.657,1000 9.644,1001 5.544,1002 8.449,1003 0.304,1004 10.07,1005 1.637,1006 5.771,1007 7.193,1008 4.112,1009 10.911,1010 5.615,1011 9.762,1012 -0.211,1013 11.688,1014 0.659,1015 7.298,1016 9.134,1017 5.206,1018 13.401,1019 7.154,1020 11.092,1021 -0.347,1022 13.325,1023 -0.492,1024 7.799,1025 9.888,1026 5.889,1027 15.025,1028 7.604,1029 12.437,1030 -0.46,1031 14.976,1032 -0.891,1033 9.076,1034 11.589,1035 6.849,1036 17.298,1037 8.89,1038 2.781,1039 -0.659,1040 16.637,1041 -1.143,1042 9.793,1043 12.563,1044 7.625,1045 19.112,1046 9.563,1047 2.646,1048 7.943,1049 18.307,1050 -1.481,1051 10.94,1052 14.124,1053 8.526,1054 21.279,1055 10.711,1056 2.251,1057 7.377,1058 19.983,1059 3.847,1060 11.782,1061 15.235,1062 9.342,1063 23.199,1064 11.515,1065 2.224,1066 6.398,1067 21.665,1068 3.656,1069 12.86,1070 16.71,1071 10.216,1072 25.312,1073 12.588,1074 1.962,1075 5.543,1076 23.352,1077 2.911,1078 13.774,1079 17.905,1080 11.051,1081 27.291,1082 13.469,1083 1.879,1084 5.184,1085 25.043,1086 2.71,1087 14.816,1088 19.327,1089 11.912,1090 29.377,1091 14.501,1092 1.671,1093 4.963,1094 26.739,1095 2.577,1096 15.771,1097 20.574,1098 12.755,1099 31.389,1100 15.428,1101 8338,1102 15011,1103 16.989,1104 30.648,1105 37.564,1106 37.886,1107 37.366,1108 37.086,1109 36.987,1110 47.977,1111 6.402,1112 95.273,1113 35.871,1114 5.112,1115 5.596,1116 5.499,1117 4.801,1118 4.781,1119 6.847,1120 3.925,1121 13.943,1122 4.724,1123 13.768,1124 1.445,1125 1.457,1126 1.437,1127 1.426,1128 1.423,1129 1.845,1130 0.246,1131 3.664,1132 1.38,1133 3.984,1134 4.003,1135 3.928,1136 3.921,1137 7.474,1138 3.92,1139 3.861,1140 3.879,1141 3.806,1142 3.785,1143 6.494,1144 3.787,1145 3.744,1146 3.794,1147 3.611,1148 3.605,1149 6.446,1150 3.594,1151 3.48,1152 3.512,1153 3.367,1154 3.278,1155 6.351,1156 3.29,1157 3.314,1158 3.348,1159 3.215,1160 3.192,1161 4.867,1162 3.191,1163 3.062,1164 3.102,1165 2.913,1166 2.789,1167 4.564,1168 2.814,1169 2.992,1170 3.006,1171 2.897,1172 2.755,1173 4.342,1174 2.78,1175 2.854,1176 2.925,1177 2.687,1178 2.735,1179 4.029,1180 2.715,1181 0.161,1182 0.138,1183 0.218,1184 0.145,1185 0.107,1186 4.19,1187 0.148,1188 3.596,1189 0.09,1190 5.671,1191 0.305,1192 3.761,1193 0.105,1194 2.781,1195 3.847,1196 2.341,1197 7.943,1198 2.724,1199 1.951,1200 1.933,1201 2.051,1202 2.033,1203 1.33,1204 2.039,1205 1.843,1206 1.826,1207 1.988,1208 1.954,1209 1.141,1210 1.96,1211 1.735,1212 1.682,1213 1.933,1214 1.897,1215 1.029,1216 1.915,1217 1.419,1218 1.379,1219 1.673,1220 1.661,1221 0.934,1222 1.659,1223 1.301,1224 1.264,1225 1.486,1226 1.453,1227 0.542,1228 1.462,1229 0.966,1230 0.923,1231 1.272,1232 1.293,1233 0.446,1234 1.28,1235 0.886,1236 0.856,1237 1.181,1238 1.192,1239 0.218,1240 1.149,1241 0.88,1242 0.821,1243 1.099,1244 1.062,1245 0.103,1246 1.107,1247 3.97,1249 5.22,1251 6.635,1253 8.132,1255 9.676,1262 27.459,1263 3.113,1265 5.625,1272 29.369,1273 64.91,1274 156.646,1275 201.15,1276 229.066,1277 231.066,1278 233.066,1279 60.982,1280 6.645,1281 86.99,1282 86.99,1283 12,1284 11.809,1285 3.907,1286 3.17,1287 52.329,1288 122,1289 117,1290 0.207,1291 184.393,1292 330.87,1293 441.678,1294 6928,1296 18.071,1297 0.723,1298 0.556,1299 18.071,1300 13.89,1301 12.025,1302 0.462,1303 0.315,1304 8.092,1305 11.597,1306 7.94,1307 6.61,1308 12.025,1309 8.185,1310 10.633,1311 0.322,1312 0.174,1313 10.633,1314 5.738,1315 7.369,1316 0.205,1317 0.099,1318 7.369,1319 3.577,1320 5.969,1321 0.139,1322 0.054,1323 5.969,1324 2.327,1325 4.327,1326 0.088,1327 0.03,1328 4.327,1329 1.455,1330 0.345,1331 75.367,1332 0.243,1333 25.525,1334 0.516,1335 118,1336 391.92,1337 130.179,1338 373.151,1339 484.51,1340 344,1341 128,1342 333.182,1343 137.302,1344 335.804,1345 475.51,1346 315,1347 6.418}
{0 CHEMBL521,1 1.252,2 7.067,3 3.582,4 12.831,5 60.732,6 6.252,7 0.4,8 3.524,9 3.648,10 2.902,11 3.071,12 4.591,13 3.001,14 4.055,15 4.252,16 3.213,17 3.441,18 5.135,19 3.333,20 4.333,21 4.553,22 3.23,23 3.589,24 5.322,25 3.446,26 4.458,27 4.735,28 3.102,29 3.524,30 5.43,31 3.352,32 4.236,33 4.496,34 2.882,35 3.317,36 5.254,37 3.142,38 4.038,39 4.338,40 2.431,41 3.011,42 4.879,43 2.791,44 3.609,45 3.913,46 2.211,47 2.662,48 4.289,49 2.464,50 3.467,51 3.698,52 2.234,53 2.561,54 4.468,55 2.43,56 0.035,57 0.409,58 7.678,59 3.527,60 7.296,61 4.7,62 0.162,63 0.652,64 13.109,65 5.695,66 35.357,67 7.85,68 0.116,69 0.819,70 17.332,71 7.124,72 25.94,73 9.886,74 0.196,75 0.844,76 19.688,77 7.338,78 44.979,79 10.402,80 0.14,81 0.683,82 15.756,83 5.93,84 34.743,85 8.372,86 0.133,87 0.531,88 12.767,89 4.652,90 26.62,91 6.705,92 0.052,93 0.356,94 8.094,95 3.141,96 9.569,97 4.557,98 0.094,99 0.302,100 7.378,101 2.575,102 21.19,103 3.553,104 34,105 20,106 0.24,107 0.556,108 0.686,109 0.757,110 0.781,111 0.781,112 2.792,113 1.064,114 -4.46,115 -4.39,116 -4.14,118 39.4,119 3,120 1,121 2,137 4,138 2,150 1,158 1,161 1,162 12,163 1,166 1,169 1,171 1,174 15,175 2,179 2,184 2,187 13,188 2,192 2,197 2,200 10,201 2,204 2,209 2,212 7,213 1,217 1,222 1,225 4,226 1,231 1,236 1,239 3,240 1,245 1,250 1,253 2,254 2,259 2,264 2,272 193,273 9.414,274 9.414,275 9.414,276 9.414,277 9.414,278 8.532,279 10.013,280 5.571,281 9.419,282 7.358,283 7.358,284 7.358,285 7.358,286 7.358,287 6.022,288 9.117,289 2.619,290 7.363,291 3.793,292 2.147,293 1.471,294 1.099,295 0.978,296 0.978,297 3.404,300 1,301 1,302 203,303 3.317,307 52.419,314 1.404,315 14.013,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 32,327 106,328 4.193,329 3.788,330 6.284,331 3.922,332 2.921,333 3.718,334 2.397,335 9.194,336 2.918,337 3.809,338 2.867,339 5.439,340 3.546,341 2.546,342 3.097,343 0.242,344 7.221,345 2.544,346 3.321,347 2.606,348 4.854,349 3.042,350 2.04,351 2.498,353 5.18,354 2.036,355 2.967,356 1.923,357 4.391,358 2.735,359 1.732,360 2,362 4.406,363 1.727,364 2.5,365 1.247,366 3.414,367 2,368 1,369 1.5,371 2.275,372 1,373 2.011,374 1,375 3.212,376 1.727,377 0.72,378 0.852,380 1.61,381 0.714,382 1.131,383 0.437,384 2.473,385 0.919,386 -0.082,387 -0.094,389 -0.199,390 -0.082,391 0.5,392 0.138,393 2,394 0.165,395 -0.835,396 -0.978,398 -2,399 -0.835,400 0.45,401 -0.716,402 1.875,404 -1,405 -1,407 -2,408 -0.961,409 0.395,410 -0.97,411 1.352,413 -1,414 -1.271,416 -2.043,417 -1,419 -1,420 1.231,422 -1,423 -1.5,425 -3,426 -1,427 -0.335,428 -1,429 1,430 -0.41,431 -1.4,432 -1.622,434 -3.769,435 -1.413,436 -0.5,437 -1.36,438 1,439 -0.735,440 -1.732,441 -1.897,443 -5.163,444 -1.737,445 -0.67,446 -1.66,447 0.888,448 -0.91,449 -1.909,450 -2.304,451 -1.007,452 -5.275,453 -1.911,454 -0.77,455 -2,456 0.586,457 -1,458 -2,459 -3,460 -1.633,461 -6.436,462 -2,463 7.167,464 0.478,465 0.497,466 0.033,467 15.5,468 1.033,469 7.5,470 0.5,471 8,472 0.533,473 12.485,474 0.832,475 17.433,476 0.528,477 9.37,478 0.625,479 2.811,480 0.187,481 4.192,482 0.279,483 0.302,485 0.349,490 0.753,491 1.169,492 1.005,493 1.166,494 0.759,495 1.125,496 0.315,497 1.05,498 0.846,499 1.056,500 0.344,501 1.025,502 0.781,503 1.213,504 1.084,505 1.216,506 0.795,507 1.193,508 0.969,509 0.923,510 0.94,511 0.923,512 0.945,513 0.927,514 0.964,515 1.131,516 1.065,517 1.13,518 0.954,519 1.113,520 0.911,521 0.945,522 0.978,523 0.951,524 0.932,525 0.97,526 0.418,527 0.962,528 0.743,529 0.958,530 0.441,531 0.901,532 1.633,533 1.049,534 1.214,535 1.044,536 1.66,537 1.071,538 4,540 1.778,541 1,542 0.742,543 0.41,544 0.282,545 0.125,546 0.099,548 1417,549 3515,550 1.817,551 54.5,552 12,553 4,556 1,557 1,561 1.526,562 1.636,563 2.858,564 -0.33,566 1,568 1,570 41.301,571 1.252,572 2.897,573 3.574,574 3.945,575 4.067,576 4.067,577 2.257,578 3.374,579 3.874,580 2.986,581 313.553,582 6.474,583 2615.66,585 1,588 166.465,589 1.585,590 3.781,591 0.267,593 0.089,594 0.053,595 0.046,596 0.034,597 0.04,598 0.021,599 0.016,601 0.566,602 0.67,603 1,604 1.564,605 59.455,606 -0.056,607 0.05,608 -0.019,609 0.046,610 -0.089,611 0.022,612 0.277,613 0.057,614 0.102,615 0.053,616 0.253,617 0.055,618 -0.038,619 -0.163,620 -0.131,621 -0.164,622 -0.031,623 -0.16,624 -0.044,625 0.021,626 0.018,627 0.024,628 -0.019,629 0.028,630 -0.042,631 -0.168,632 -0.105,633 -0.165,634 -0.027,635 -0.146,636 -0.043,637 -0.042,638 -0.039,639 -0.041,640 -0.069,641 -0.04,642 0.109,643 -0.039,644 0.157,645 -0.019,646 0.076,647 0.063,648 -0.184,649 -0.086,650 -0.181,651 -0.095,652 -0.211,653 -0.132,654 2.438,655 3.762,656 0.4,657 10.524,658 0.988,659 1.126,660 3.23,661 10.436,662 0.629,663 2.773,664 3.045,665 3.135,666 3.219,667 3.296,668 3.219,669 3.296,670 3.045,671 2.197,673 4.447,674 0.581,675 206.31,676 2.773,677 4.263,678 5.043,679 5.878,680 6.683,681 7.52,682 8.336,683 9.173,684 9.994,685 10.831,701 4,706 2,708 6,724 33,726 7,727 1,728 15,730 33,731 13,732 6,733 2,734 4,737 1,738 1,743 3,749 1,751 7,752 6,753 2,754 1,758 1,761 1,764 1,767 18,768 2,769 1,770 2,777 1,778 2,789 1,800 1,808 1,810 1,815 3,819 15,826 1,827 1,831 2,839 6.1,841 1,842 1,846 9.167,847 6.617,848 3.389,849 2.106,850 1.279,851 1.241,852 0.863,853 4.043,854 6.582,855 2.996,856 3.481,857 3.855,858 4.296,859 4.756,860 4.751,861 4.973,862 4.822,863 3.726,865 0.8,866 19,867 5.549,868 -0.001,869 2.219,870 0.006,871 7.911,872 10.608,874 8.318,875 -0.001,876 2.411,877 36.167,878 0.004,881 200.109,882 74.196,885 67.828,888 74.196,889 267.937,891 26.476,892 2.535,893 37.905,894 68.738,895 6.371,897 200.109,899 200.109,900 74.196,901 67.828,904 200.109,905 67.828,908 29.01,909 45.186,912 200.109,913 67.828,914 74.196,917 200.109,918 9.816,919 64.381,921 67.828,922 200.109,923 67.828,924 74.196,926 0.58,927 0.305,928 0.14,929 0.071,930 8,931 5,932 0.121,933 4,935 1,936 2.63,937 86.615,939 6,940 52.603,944 11.929,945 5.083,946 3.484,948 67.828,949 7.872,954 2.14,956 42.683,957 342.133,958 19,962 10.762,965 -0.772,967 32.607,968 37.156,969 0.248,970 0.574,971 0.708,972 0.782,973 0.806,974 0.806,975 4.197,976 -0.835,977 5.043,978 -0.199,979 3.714,980 4.159,981 2.35,982 5.778,983 3.712,984 5.381,985 -1,986 6.578,987 -2,988 3.434,989 3.951,990 2.243,991 6.605,992 3.426,993 6.656,994 -1,995 8.21,996 -2,997 5.242,998 6.181,999 3.742,1000 9.584,1001 5.239,1002 7.96,1003 -1,1004 9.896,1005 -2.043,1006 5.673,1007 6.656,1008 4.213,1009 11.169,1010 5.665,1011 9.289,1012 -1.4,1013 11.615,1014 -3,1015 7.043,1016 8.477,1017 5.351,1018 13.696,1019 7.039,1020 10.637,1021 -1.732,1022 13.357,1023 -3.769,1024 7.793,1025 9.272,1026 6.05,1027 15.612,1028 7.784,1029 11.998,1030 -1.909,1031 15.117,1032 -5.163,1033 8.985,1034 10.904,1035 7.042,1036 17.962,1037 8.978,1038 2.921,1039 -2,1040 16.891,1041 -5.275,1042 9.89,1043 11.88,1044 7.838,1045 20.032,1046 9.88,1047 2.546,1048 9.194,1049 18.675,1050 -6.436,1051 11.004,1052 13.401,1053 8.766,1054 22.306,1055 10.995,1056 2.04,1057 7.221,1058 20.468,1059 3.718,1060 11.986,1061 14.491,1062 9.604,1063 24.451,1064 11.975,1065 1.732,1066 5.18,1067 22.268,1068 3.097,1069 13.068,1070 15.941,1071 10.503,1072 26.692,1073 13.057,1074 1,1075 4.406,1076 24.074,1077 2.498,1078 14.089,1079 17.106,1080 11.361,1081 28.873,1082 14.077,1083 0.72,1084 2.275,1085 25.886,1086 2,1087 15.158,1088 18.509,1089 12.247,1090 31.1,1091 15.144,1092 -0.082,1093 1.61,1094 27.701,1095 1.5,1096 16.199,1097 19.724,1098 13.113,1099 33.299,1100 16.185,1101 1598,1102 2600,1103 8.959,1104 20.762,1105 22.399,1106 22.791,1107 23.19,1108 21.943,1109 21.916,1110 27.331,1111 5.279,1112 59.771,1113 21.879,1114 4.963,1115 5.788,1116 5.698,1117 4.922,1118 4.921,1119 6.718,1120 4.03,1121 15.629,1122 4.918,1123 9.958,1124 1.493,1125 1.519,1126 1.546,1127 1.463,1128 1.461,1129 1.822,1130 0.352,1131 3.985,1132 1.459,1133 3.976,1134 4.005,1135 3.906,1136 3.918,1137 7.474,1138 3.911,1139 3.674,1140 3.729,1141 3.545,1142 3.549,1143 6.351,1144 3.536,1145 3.489,1146 3.53,1147 3.36,1148 3.324,1149 4.724,1150 3.323,1151 3.008,1152 3.04,1153 2.853,1154 2.745,1155 4.205,1156 2.745,1157 2.895,1158 3.009,1159 2.687,1160 2.735,1161 3.933,1162 2.715,1163 2.874,1164 2.989,1165 2.645,1166 2.632,1167 3.674,1168 2.653,1169 2.854,1170 2.925,1171 2.499,1172 2.618,1173 3.489,1174 2.57,1175 2.397,1176 2.501,1177 2.097,1178 2.177,1179 3.467,1180 2.144,1181 0.28,1182 0.253,1183 0.419,1184 0.261,1185 0.195,1186 4.193,1187 0.248,1188 3.788,1189 0.16,1190 6.284,1191 0.613,1192 3.922,1193 0.195,1194 2.921,1195 3.718,1196 2.397,1197 9.194,1198 2.918,1199 1.964,1200 1.938,1201 2.095,1202 2.046,1203 1.323,1204 2.063,1205 1.685,1206 1.63,1207 1.929,1208 1.848,1209 1.149,1210 1.877,1211 1.46,1212 1.411,1213 1.716,1214 1.658,1215 0.846,1216 1.673,1217 0.937,1218 0.855,1219 1.417,1220 1.268,1221 0.475,1222 1.308,1223 0.934,1224 0.821,1225 1.307,1226 1.239,1227 0.469,1228 1.239,1229 0.886,1230 0.814,1231 1.181,1232 1.159,1233 0.218,1234 1.197,1235 0.849,1236 0.804,1237 1.118,1238 1.062,1239 0.131,1240 1.107,1241 0.421,1242 0.327,1243 0.792,1244 0.704,1246 0.747,1247 3.434,1249 4.71,1251 6.163,1253 7.696,1255 9.27,1257 6.057,1262 8.85,1263 1.043,1267 0.214,1272 19.171,1273 41.301,1274 95.604,1275 117.936,1276 130.2,1277 134.2,1278 134.2,1279 32.257,1280 5.303,1281 37.3,1282 37.3,1283 6,1284 11.402,1285 3,1286 2.322,1287 31.312,1288 41,1289 32,1290 0.416,1291 124.36,1292 217.22,1293 295.199,1294 905,1296 11.422,1297 0.761,1298 0.635,1299 11.422,1300 9.527,1301 7.003,1302 0.467,1303 0.355,1304 5.291,1305 6.861,1306 5.006,1307 4.29,1308 7.003,1309 5.32,1310 6.513,1311 0.326,1312 0.22,1313 6.513,1314 4.399,1315 4.491,1316 0.204,1317 0.113,1318 4.491,1319 2.494,1320 3.161,1321 0.132,1322 0.065,1323 3.161,1324 1.556,1325 2.235,1326 0.086,1327 0.036,1328 2.235,1329 0.925,1330 0.637,1331 43.172,1332 0.334,1333 15.353,1334 1.165,1335 70,1336 189.885,1337 74.428,1338 185.819,1339 240.22,1340 170,1341 77,1342 163.667,1343 80.322,1344 169.021,1345 239.1,1346 157,1347 5.22}
{0 CHEMBL532,1 1.397,2 11.608,3 1.652,4 2.73,5 186.033,6 6.221,8 4.831,9 4.949,10 4.198,11 4.204,12 5.827,13 4.176,14 5.477,15 5.662,16 4.666,17 4.644,18 6.427,19 4.612,20 5.862,21 6.035,22 4.939,23 4.941,24 6.987,25 4.901,26 6.145,27 6.358,28 5.014,29 5.13,30 7.199,31 5.054,32 6.252,33 6.48,34 5.082,35 5.244,36 7.302,37 5.145,38 6.391,39 6.636,40 5.149,41 5.325,42 7.392,43 5.225,44 6.367,45 6.59,46 5.242,47 5.407,48 7.386,49 5.306,50 6.538,51 6.791,52 5.228,53 5.443,54 7.547,55 5.322,56 0.147,57 1.473,58 30.331,59 11.807,60 43.652,61 16.254,62 0.924,63 2.343,64 58.511,65 18.739,66 108.712,67 27.033,68 1.991,69 3.168,70 87.758,71 25.72,72 238.962,73 37.348,74 2.946,75 3.874,76 115.253,77 32.072,78 333.947,79 47.631,80 2.463,81 4.374,82 125.826,83 36.854,84 361.576,85 55.257,86 3.903,87 4.743,88 145.378,89 39.984,90 445.192,91 60.329,92 2.419,93 5.146,94 140.293,95 43.19,96 365.385,97 64.35,98 4.253,99 5.437,100 167.616,101 45.559,102 492.788,103 70.083,104 410,105 82,106 0.202,107 0.4,108 0.673,109 0.845,110 0.898,111 0.898,112 3.954,113 1.047,114 -1.09,115 -1.19,116 -1.27,118 31.4,119 10,120 4,121 4,123 3,126 9,127 2,128 3,148 1,150 1,162 6,165 3,166 16,171 4,174 6,179 12,182 7,183 1,184 10,187 10,191 7,192 16,195 2,197 6,200 15,204 16,207 6,209 9,212 13,216 8,217 15,220 1,221 1,222 9,225 20,231 21,234 6,235 1,236 10,239 24,244 10,245 18,248 2,249 1,250 8,253 14,259 13,262 10,264 7,267 12,272 5648,273 31.528,274 31.528,275 31.528,276 31.528,277 31.528,278 31.293,279 43.806,280 17.032,281 32.266,282 25.671,283 25.671,284 25.671,285 25.671,286 25.671,287 25.149,288 58.247,289 7.683,290 26.851,291 5.485,292 4.108,293 2.221,294 1.026,295 0.659,296 0.659,297 4.615,302 1197,303 4.95,307 305.42,314 1.544,315 115.079,318 0.5,319 0.67,320 0.67,321 0.6,322 1,323 0.5,324 0.5,325 0.63,326 115.5,327 592,328 4.553,329 3.948,330 7.697,331 4.499,332 3.542,333 3.581,334 2.443,335 13.694,336 3.385,337 4.484,338 3.843,339 7.513,340 4.436,341 3.484,342 3.485,343 2.178,344 13.278,345 3.312,346 4.46,347 3.773,348 7.431,349 4.416,350 3.459,351 3.462,352 1.392,353 13.029,354 3.292,355 4.102,356 3.723,357 6.581,358 4.039,359 3.081,360 3.23,361 1.392,362 10.289,363 2.954,364 4.081,365 3.595,366 6.57,367 3.989,368 3.01,369 3.093,370 0.86,371 10.205,372 2.939,373 3.935,374 3.418,375 6.367,376 3.801,377 2.796,378 3.046,379 0.8,380 9.248,381 2.79,382 3.545,383 3.157,384 5.787,385 3.395,386 2.433,387 2.591,388 0.532,389 7.569,390 2.329,391 3.355,392 2.836,393 5.584,394 3.298,395 2.355,396 2.356,397 0.532,398 7.194,399 2.224,400 3.304,401 2.777,402 5.568,403 3.227,404 2.288,405 2.305,406 0.286,407 6.984,408 2.147,409 3.134,410 2.499,411 5.458,412 3.094,413 2.132,414 2.134,416 6.528,417 2.036,418 3.086,419 2.439,420 5.347,421 3.036,422 2.083,423 2.086,425 6.029,426 1.965,427 3.018,428 2.398,429 4.994,430 2.949,431 1.969,432 2.018,434 5.79,435 1.921,436 2.726,437 2.106,438 4.969,439 2.643,440 1.697,441 1.72,443 5.135,444 1.593,445 2.463,446 1.904,447 4.594,448 2.349,449 1.408,450 1.443,452 3.919,453 1.312,454 2.291,455 1.782,456 4.166,457 2.196,458 1.235,459 1.272,461 3.237,462 1.176,463 23.233,464 0.456,465 2.246,466 0.044,467 35,468 0.686,469 3,470 0.059,471 32,472 0.627,473 106.971,474 2.097,475 66.167,476 0.561,477 41.493,478 0.814,479 5.715,480 0.112,481 17.71,482 0.347,483 0.38,484 0.065,485 0.383,490 0.91,491 1.643,492 0.999,493 1.551,494 0.938,495 1.324,496 0.995,497 1.195,498 0.882,499 1.149,500 0.766,501 0.999,502 1.274,503 1.268,504 1.136,505 1.248,506 1.111,507 1.169,508 1.32,509 1.008,510 1.14,511 1.013,512 1.275,513 1.033,514 1.059,515 1.172,516 1.052,517 1.177,518 1.004,519 1.121,520 1.195,521 0.824,522 1.011,523 0.827,524 1.147,525 0.872,526 0.933,527 1.263,528 1.023,529 1.254,530 1.023,531 1.172,532 1.064,533 0.965,534 1.033,535 0.974,536 1.017,537 0.993,538 17,539 1.037,540 10.222,541 7.063,542 5.2,543 3.368,544 2.755,545 2.491,546 1.701,547 1.199,548 35155,549 86943,550 1.832,551 56.8,552 15,553 18,554 2,556 5,557 3,558 19,559 3,560 2,561 1.87,562 1.606,563 3.455,564 2.007,570 164.868,571 1.397,572 2.775,573 4.661,574 5.856,575 6.223,576 6.223,577 2.707,578 5.437,579 5.649,580 3.679,581 4690.18,582 10.137,583 89629,588 812.152,589 1.761,590 5.505,591 0.321,592 0.01,593 0.125,594 0.07,595 0.049,596 0.03,597 0.022,598 0.018,599 0.013,600 0.011,601 0.669,602 0.17,603 0.75,604 0.881,605 297.445,606 -0.067,607 -0.137,608 0.028,609 -0.08,610 -0.149,611 -0.013,612 0.027,613 0.049,614 0.157,615 0.053,616 0.005,617 0.131,618 -0.002,619 -0.086,620 -0.045,621 -0.093,622 0.014,623 -0.081,624 -0.066,625 0.048,626 -0.073,627 0.031,628 -0.077,629 -0.018,630 -0.018,631 -0.1,632 -0.038,633 -0.103,634 0.027,635 -0.078,636 -0.033,637 0.151,638 0.021,639 0.154,640 -0.031,641 0.106,642 0.012,643 -0.144,644 -0.027,645 -0.134,646 -0.001,647 -0.095,648 0.013,649 0.018,650 -0.02,651 0.004,652 0.016,653 -0.013,654 3.244,655 7.073,656 0.51,657 52.161,658 1.004,659 1.143,660 -0.139,661 0.019,662 0.585,663 3.989,664 4.419,665 4.682,666 4.86,667 5.017,668 5.112,669 5.236,670 5.347,671 5.485,672 5.568,673 7.683,674 0.548,675 734.05,676 3.989,677 5.602,678 6.475,679 7.394,680 8.285,681 9.202,682 10.098,683 11.014,684 11.913,685 12.829,686 0.8,689 1,724 118,726 2,728 53,730 120,731 37,737 3,738 3,743 10,746 12,747 7,749 13,751 2,752 35,753 7,754 2,758 2,761 2,767 67,768 14,769 5,770 14,773 1,777 1,778 13,780 3,781 2,789 2,796 1,801 1,806 1,808 5,809 5,810 3,815 13,819 51,826 5,827 4,829 6,831 15,832 1,833 3,839 11,840 5,842 2,843 5,844 1,846 31.75,847 23.783,848 11.014,849 7.294,850 0.063,851 1.008,852 0.798,853 14.875,854 8.426,855 4.025,856 4.466,857 4.745,858 4.913,859 5.1,860 5.17,861 5.303,862 5.425,863 5.565,864 5.652,865 0.75,866 101,867 19.821,869 9.222,870 0.006,871 7.972,872 36.393,874 30.931,876 2.472,877 126.083,881 729.808,882 139.11,883 3.124,885 329.706,888 139.11,889 1059.51,890 3.124,891 115.928,892 10.138,893 214.136,894 117.614,895 14.124,896 23.542,897 706.266,899 729.808,900 142.234,901 329.706,904 470.844,905 320.254,906 268.416,907 0.719,908 101.514,909 40.001,912 729.808,913 332.83,914 139.11,917 730.527,918 22.463,919 119.052,921 329.706,922 729.808,923 332.83,924 139.11,926 0.616,927 0.379,928 0.181,929 0.09,930 36,931 24,932 0.058,933 7,935 1,936 4.73,937 602.867,939 26,940 287.294,944 44.281,945 17.132,946 9.584,948 332.83,956 213.417,957 1201.75,958 55,962 27.876,965 -1.172,967 118.516,968 134.922,969 0.203,970 0.403,971 0.677,972 0.851,973 0.904,974 0.904,975 5.412,976 2.355,977 6.583,978 7.569,979 5.106,980 5.153,981 3.395,982 7.537,983 5.018,984 6.623,985 2.288,986 8.268,987 7.194,988 5.198,989 5.263,990 2.801,991 8.961,992 5.071,993 7.97,994 2.132,995 10.061,996 6.984,997 6.932,998 7.018,999 4.513,1000 12.027,1001 6.765,1002 9.341,1003 2.083,1004 11.916,1005 6.528,1006 7.741,1007 7.84,1008 4.728,1009 14.189,1010 7.527,1011 10.742,1012 1.969,1013 13.81,1014 6.029,1015 9.097,1016 9.21,1017 5.966,1018 16.907,1019 8.843,1020 12.163,1021 1.697,1022 15.731,1023 5.79,1024 10.169,1025 10.29,1026 6.534,1027 19.336,1028 9.865,1029 13.599,1030 1.408,1031 17.672,1032 5.135,1033 11.425,1034 11.555,1035 7.57,1036 21.96,1037 11.078,1038 3.542,1039 1.235,1040 19.629,1041 3.919,1042 12.596,1043 12.731,1044 8.3,1045 24.488,1046 12.199,1047 3.484,1048 13.694,1049 21.598,1050 3.237,1051 13.831,1052 13.97,1053 9.248,1054 27.086,1055 13.386,1056 3.459,1057 13.278,1058 23.577,1059 3.581,1060 15.041,1061 15.183,1062 10.053,1063 29.653,1064 14.546,1065 3.081,1066 13.029,1067 25.564,1068 3.485,1069 16.274,1070 16.419,1071 10.962,1072 32.245,1073 15.73,1074 3.01,1075 10.289,1076 27.557,1077 3.462,1078 17.501,1079 17.648,1080 11.803,1081 34.828,1082 16.907,1083 2.796,1084 10.205,1085 29.556,1086 3.23,1087 18.738,1088 18.886,1089 12.696,1090 37.421,1091 18.094,1092 2.433,1093 9.248,1094 31.559,1095 3.093,1096 19.974,1097 20.124,1098 13.557,1099 40.011,1100 19.281,1101 35633,1102 56148,1103 30.865,1104 69.04,1105 82.2,1106 86.464,1107 90.254,1108 81.363,1109 81.44,1110 83.487,1111 20.826,1112 261.857,1113 77.645,1114 5.553,1115 5.868,1116 7.214,1117 5.573,1118 5.542,1119 5.581,1120 4.174,1121 22.086,1122 5.367,1123 43.725,1124 1.551,1125 1.631,1126 1.703,1127 1.535,1128 1.537,1129 1.575,1130 0.393,1131 4.941,1132 1.465,1133 4.016,1134 4.043,1135 3.926,1136 3.861,1137 7.432,1138 3.869,1139 3.877,1140 3.905,1141 3.79,1142 3.72,1143 7.425,1144 3.73,1145 3.868,1146 3.9,1147 3.777,1148 3.695,1149 6.493,1150 3.708,1151 3.794,1152 3.832,1153 3.69,1154 3.659,1155 6.453,1156 3.659,1157 3.759,1158 3.789,1159 3.667,1160 3.605,1161 6.446,1162 3.611,1163 3.545,1164 3.597,1165 3.418,1166 3.387,1167 6.444,1168 3.383,1169 3.471,1170 3.552,1171 3.313,1172 3.277,1173 6.4,1174 3.271,1175 3.448,1176 3.509,1177 3.285,1178 3.227,1179 4.801,1180 3.226,1181 0.086,1182 0.074,1183 0.145,1184 0.085,1185 0.067,1186 4.553,1187 0.068,1188 3.948,1189 0.046,1190 7.697,1191 0.258,1192 4.499,1193 0.064,1194 3.542,1195 3.581,1196 2.443,1197 13.694,1198 3.385,1199 1.893,1200 1.865,1201 2.06,1202 2.067,1203 1.422,1204 2.061,1205 1.825,1206 1.797,1207 2.005,1208 2.022,1209 1.348,1210 2.014,1211 1.815,1212 1.779,1213 1.999,1214 2.011,1215 1.332,1216 2.007,1217 1.767,1218 1.728,1219 1.966,1220 1.939,1221 1.309,1222 1.948,1223 1.723,1224 1.687,1225 1.931,1226 1.904,1227 1.231,1228 1.91,1229 1.536,1230 1.481,1231 1.81,1232 1.735,1233 1.052,1234 1.759,1235 1.444,1236 1.383,1237 1.751,1238 1.706,1239 0.943,1240 1.725,1241 1.433,1242 1.347,1243 1.735,1244 1.657,1245 0.892,1246 1.683,1247 4.673,1249 6.075,1251 7.658,1253 9.32,1255 11.023,1257 21.508,1262 57.61,1263 0.629,1265 37.054,1267 -14.465,1268 1.883,1269 -4.839,1272 64.698,1273 164.868,1274 327.434,1275 550.051,1276 691.054,1277 734.338,1278 734.338,1279 347.105,1280 8.363,1281 193.91,1282 193.91,1283 26,1284 13.343,1285 1.585,1286 1.585,1287 128.161,1288 236,1289 226,1290 0.262,1291 396.398,1292 731.57,1293 958.97,1294 52896,1296 38.963,1297 0.764,1298 0.646,1299 38.963,1300 32.938,1301 23.426,1302 0.442,1303 0.349,1304 18.144,1305 22.133,1306 17.275,1307 14.349,1308 23.426,1309 18.494,1310 23.459,1311 0.286,1312 0.201,1313 23.459,1314 16.472,1315 19.663,1316 0.184,1317 0.11,1318 19.663,1319 11.822,1320 14.473,1321 0.113,1322 0.066,1323 14.473,1324 8.41,1325 10.401,1326 0.069,1327 0.033,1328 10.401,1329 4.909,1330 0.396,1331 150.327,1332 0.18,1333 41.698,1334 0.774,1335 270,1336 820.278,1337 313.046,1338 733.984,1339 954.08,1340 682,1341 324,1342 653.639,1343 370.016,1344 643.145,1345 960.78,1346 599,1347 4.921}
{0 CHEMBL561947,1 1.944,2 19.368,3 1.397,4 1.951,5 150.151,6 10.158,7 0.282,8 4.29,9 4.397,10 4.215,11 3.856,12 5.46,13 3.789,14 4.826,15 4.977,16 4.608,17 4.231,18 6.229,19 4.121,20 5.121,21 5.334,22 4.574,23 4.319,24 6.338,25 4.179,26 5.109,27 5.327,28 4.368,29 4.231,30 6.338,31 4.119,32 5.068,33 5.291,34 4.298,35 4.165,36 6.43,37 4.052,38 5.051,39 5.276,40 4.256,41 4.166,42 6.192,43 4.033,44 5.026,45 5.242,46 4.331,47 4.106,48 6.428,49 4,50 4.959,51 5.169,52 4.246,53 4.063,54 6.352,55 3.945,56 0.27,57 1.037,58 10.297,59 6.759,60 48.212,61 7.159,62 0.755,63 1.59,64 26.795,65 12.021,66 133.663,67 13.379,68 1.209,69 1.807,70 57.521,71 16.267,72 184.523,73 17.435,74 1.169,75 1.715,76 55.829,77 15.152,78 181.515,79 16.714,80 1.341,81 1.609,82 41.622,83 13.974,84 223.105,85 16.664,86 1.068,87 1.585,88 55.466,89 14.965,90 180.892,91 16.146,92 1.3,93 1.513,94 55.422,95 14.226,96 227.793,97 15.357,98 1.267,99 1.428,100 51.988,101 13.532,102 211.926,103 14.341,104 86,105 52,106 0.308,107 0.623,108 0.779,109 0.876,110 0.89,111 0.89,112 3.667,113 1.16,114 -2.22,115 -2.26,116 -2.23,118 32.8,120 8,124 1,126 1,137 4,138 1,139 1,150 4,153 2,154 1,155 1,156 1,157 1,158 1,161 1,162 10,165 1,166 5,168 2,169 7,171 6,172 1,174 11,175 1,178 2,179 6,181 1,182 3,183 1,184 7,187 9,188 1,190 1,191 3,192 6,193 1,194 1,195 1,197 4,200 8,201 2,203 3,204 7,207 5,208 2,209 3,211 1,212 8,213 1,217 6,221 1,222 3,223 1,225 6,230 3,231 6,232 1,233 1,234 3,235 1,236 5,237 1,239 5,242 1,244 2,245 3,246 1,248 5,249 1,250 4,253 4,254 1,256 1,258 1,259 4,260 1,262 1,264 5,267 6,268 2,272 3698,273 24.385,274 24.385,275 24.385,276 24.385,277 24.385,278 22.068,279 28.397,280 14.673,281 25.132,282 19.24,283 19.24,284 19.24,285 19.24,286 19.24,287 15.54,288 27.297,289 7.038,290 20.559,291 4.122,292 2.135,293 1.146,294 0.537,295 0.448,296 0.448,297 4.33,302 1503,303 5.916,306 146.572,307 175.372,314 3.263,315 67.257,318 0.25,319 0.33,320 0.33,321 0.7,322 1,323 0.17,325 0.4,326 85.4,327 736,328 4.81,329 4.663,330 7.118,331 4.207,332 3.327,333 4.673,334 2.376,335 11.699,336 2.918,337 4.012,338 3.78,339 5.952,340 3.757,341 2.776,342 3.614,343 1.907,344 8.337,345 2.711,346 3.97,347 3.617,348 5.522,349 3.586,350 2.622,351 3.478,352 1.907,353 7.508,354 2.539,355 3.934,356 3.575,357 5.414,358 3.535,359 2.601,360 3.106,361 1.906,362 7.158,363 2.467,364 3.659,365 3.5,366 5.035,367 3.375,368 2.375,369 2.834,370 0.262,371 6.091,372 2.362,373 3.615,374 2.883,375 5.033,376 3.252,377 2.27,378 2.818,379 0.149,380 6.03,381 2.199,382 3.448,383 2.528,384 4.884,385 3.013,386 2.096,387 2.698,388 0.149,389 5.681,390 1.937,391 3.417,392 2.524,393 4.808,394 2.963,395 2.022,396 2.62,398 5.426,399 1.681,400 2.789,401 2.172,402 4.349,403 2.676,404 1.68,405 1.855,407 3.934,408 1.603,409 2.771,410 1.76,411 3.88,412 2.251,413 1.343,414 1.758,416 3.505,417 1.211,418 2.5,419 1.537,420 3.588,421 2.219,422 1.25,423 1.5,425 2.781,426 1.173,427 2.419,428 1.389,429 3.414,430 2.061,431 1.067,432 1.364,434 2.348,435 1.023,436 2.238,437 1.304,438 3.359,439 2,440 1,441 1.181,443 2.275,444 1,445 2.182,446 1.107,447 3.283,448 1.666,449 0.704,450 1.022,452 1.695,453 0.664,454 1.796,455 1,456 3.106,457 1.562,458 0.67,459 0.724,461 1.52,462 0.583,463 19.043,464 0.501,465 1.151,466 0.03,467 42.75,468 1.125,469 19.5,470 0.513,471 23.25,472 0.612,473 40.801,474 1.074,475 43.357,476 0.647,477 34.814,478 0.916,479 7.727,480 0.203,481 10.207,482 0.269,483 0.23,484 0.044,485 0.236,490 0.679,491 1.251,492 0.535,493 0.807,494 0.669,495 0.898,496 0.433,497 1.295,498 0.586,499 0.861,500 0.449,501 1.065,502 0.937,503 0.932,504 0.862,505 0.874,506 0.985,507 0.977,508 1.025,509 0.953,510 0.716,511 0.807,512 1.006,513 0.987,514 0.745,515 0.83,516 0.339,517 0.57,518 0.756,519 0.914,520 1.104,521 0.93,522 0.752,523 0.816,524 1.076,525 0.991,526 0.997,527 0.933,528 0.759,529 0.819,530 1.009,531 0.931,532 1.015,533 0.884,534 0.823,535 0.836,536 1.086,537 0.968,538 10,539 0.189,540 4,541 2.125,542 1.917,543 0.861,544 0.769,545 0.465,546 0.412,547 0.346,548 27372,549 108658,550 1.903,551 43.3,552 6,553 7,556 6,557 6,558 4,561 1.78,562 1.747,563 4.17,564 3.155,569 1,570 130.278,571 1.944,572 3.931,573 4.92,574 5.529,575 5.618,576 5.618,577 3.642,578 4.702,579 5.218,580 4.436,581 3118.47,582 9.15,583 61074.4,588 406.428,589 1.622,590 5.147,591 0.256,592 0.005,593 0.077,594 0.044,595 0.043,596 0.02,597 0.02,598 0.011,599 0.011,600 0.009,601 0.496,602 0.17,603 0.63,604 0.854,605 221.961,606 -0.035,607 0.017,608 0.014,609 0.02,610 -0.087,611 0.05,612 0.293,613 -0.172,614 0.037,615 -0.038,616 0.239,617 -0.101,618 -0.015,619 0.027,620 -0.014,621 0.012,622 -0.08,623 -0.002,624 -0.074,625 -0.024,626 -0.031,627 -0.034,628 -0.081,629 -0.042,630 0.191,631 0.07,632 0.033,633 0.036,634 0.153,635 0.01,636 -0.151,637 -0.028,638 -0.033,639 -0.017,640 -0.143,641 -0.028,642 0.073,643 -0.04,644 -0.016,645 -0.011,646 0.066,647 0.017,648 0.064,649 0.029,650 -0.042,651 -0.004,652 0.018,653 -0.023,654 4.959,655 5.115,656 0.289,657 61.945,658 1.026,659 1.134,660 0.994,661 0.988,662 0.691,663 3.689,664 3.97,665 4.043,666 4.143,667 4.234,668 4.159,669 4.094,670 4.06,671 4.043,672 4.06,673 11.269,674 0.644,675 680.61,676 3.689,677 5.209,678 5.989,679 6.825,680 7.625,681 8.459,682 9.269,683 10.103,684 10.918,685 11.753,686 9,690 1,693 3,696 2,701 4,702 2,705 1,706 4,708 11,723 1,724 67,726 17,727 1,728 39,730 68,731 22,732 8,733 2,734 4,737 2,738 2,749 9,751 12,752 10,754 6,756 1,758 6,761 4,767 29,768 13,769 6,770 16,771 3,772 1,773 6,777 1,778 7,788 1,789 1,798 3,800 1,808 1,810 2,813 2,818 1,819 38,820 1,823 1,826 1,827 9,828 3,831 1,838 1,839 10.4,841 1,842 6,846 21.75,847 11.326,848 8.444,849 3.892,850 1.616,851 1.226,852 0.928,853 13.845,854 8.75,855 3.942,856 4.451,857 4.72,858 5.096,859 5.407,860 5.408,861 5.283,862 5.266,863 5.237,864 5.397,865 0.923,866 48,867 14.48,869 6.443,870 0.006,871 8.304,872 25.938,874 20.634,876 2.804,877 106.537,881 270.735,882 174.524,883 118.65,885 187.576,887 93.867,888 80.657,889 458.311,890 118.65,892 76.414,893 75.004,894 235.926,895 5.346,897 358.795,899 270.735,900 199.306,901 187.576,902 37.085,903 56.782,904 223.651,905 234.66,908 76.915,909 89.065,910 39.133,911 88.06,912 270.735,913 306.226,914 117.742,915 56.782,916 5.807,917 270.735,918 74.029,919 94.687,920 54.032,921 252.193,922 270.735,923 306.226,924 117.742,925 56.782,926 0.578,927 0.302,928 0.139,929 0.077,930 18,931 11,932 0.235,933 16,935 1,936 4.993,937 307.311,939 11,940 193.421,941 1,943 1,944 32.33,945 16.274,946 13.162,948 306.226,949 8.135,950 6.829,953 0.563,954 1.774,956 128.007,957 751.485,958 50.5,960 -4.043,962 69.933,965 -2.52,967 68.727,968 75.999,969 0.321,970 0.648,971 0.811,972 0.911,973 0.926,974 0.926,975 5.169,976 2.022,977 5.989,978 5.681,979 4.654,980 5.139,981 3.341,982 6.727,983 4.533,984 6.372,985 1.68,986 7.52,987 5.426,988 4.369,989 5.198,990 3.053,991 7.745,992 4.141,993 7.687,994 1.343,995 9.161,996 3.934,997 6.232,998 7.296,999 4.523,1000 10.667,1001 5.982,1002 9.039,1003 1.25,1004 10.871,1005 3.505,1006 6.723,1007 8.175,1008 4.821,1009 12.557,1010 6.337,1011 10.427,1012 1.067,1013 12.631,1014 2.781,1015 8.119,1016 9.855,1017 5.903,1018 15.11,1019 7.699,1020 11.841,1021 1,1022 14.428,1023 2.348,1024 8.962,1025 11.092,1026 6.465,1027 17.354,1028 8.386,1029 13.278,1030 0.704,1031 16.256,1032 2.275,1033 10.194,1034 12.654,1035 7.397,1036 19.824,1037 9.557,1038 3.327,1039 0.67,1040 18.109,1041 1.695,1042 11.21,1043 14.055,1044 8.094,1045 22.204,1046 10.409,1047 2.776,1048 11.699,1049 19.984,1050 1.52,1051 12.391,1052 15.589,1053 8.967,1054 24.659,1055 11.497,1056 2.622,1057 8.337,1058 21.875,1059 4.673,1060 13.493,1061 17.064,1062 9.737,1063 27.087,1064 12.434,1065 2.601,1066 7.508,1067 23.781,1068 3.614,1069 14.664,1070 18.594,1071 10.59,1072 29.542,1073 13.488,1074 2.375,1075 7.158,1076 25.698,1077 3.478,1078 15.809,1079 20.104,1080 11.399,1081 31.989,1082 14.472,1083 2.27,1084 6.091,1085 27.624,1086 3.106,1087 16.985,1088 21.636,1089 12.249,1090 34.446,1091 15.513,1092 2.096,1093 6.03,1094 29.558,1095 2.834,1096 18.153,1097 23.162,1098 13.081,1099 36.9,1100 16.524,1101 27243,1102 54804,1103 24.444,1104 46.307,1105 57.115,1106 59.921,1107 57.9,1108 56.924,1109 56.667,1110 71.689,1111 17.311,1112 154.346,1113 53.097,1114 5.791,1115 6.663,1116 6.888,1117 5.365,1118 5.327,1119 7.673,1120 3.99,1121 18.726,1122 4.918,1123 26.57,1124 1.464,1125 1.536,1126 1.485,1127 1.46,1128 1.453,1129 1.838,1130 0.444,1131 3.958,1132 1.361,1133 4.021,1134 4.002,1135 10.695,1136 4.039,1137 7.726,1138 3.895,1139 3.933,1140 3.954,1141 4.776,1142 4.013,1143 7.475,1144 3.863,1145 3.833,1146 3.875,1147 4.025,1148 3.675,1149 7.433,1150 3.672,1151 3.721,1152 3.765,1153 3.812,1154 3.583,1155 7.427,1156 3.548,1157 3.652,1158 3.688,1159 3.732,1160 3.529,1161 7.424,1162 3.487,1163 3.519,1164 3.564,1165 3.6,1166 3.392,1167 6.999,1168 3.33,1169 3.441,1170 3.475,1171 3.518,1172 3.338,1173 6.351,1174 3.251,1175 3.239,1176 3.292,1177 3.331,1178 3.231,1179 4.991,1180 3.064,1181 0.123,1182 0.12,1183 0.183,1184 0.108,1185 0.085,1186 4.81,1187 0.12,1188 4.663,1189 0.061,1190 7.118,1191 0.3,1192 4.207,1193 0.075,1194 3.327,1195 4.673,1196 2.376,1197 11.699,1198 2.918,1199 1.926,1200 1.9,1201 2.042,1202 2.002,1203 1.341,1204 2.023,1205 1.78,1206 1.749,1207 1.993,1208 1.97,1209 1.297,1210 1.976,1211 1.688,1212 1.727,1213 1.864,1214 1.881,1215 1.12,1216 1.881,1217 1.662,1218 1.622,1219 1.81,1220 1.801,1221 1.024,1222 1.866,1223 1.61,1224 1.563,1225 1.672,1226 1.798,1227 0.947,1228 1.803,1229 1.448,1230 1.394,1231 1.412,1232 1.678,1233 0.775,1234 1.682,1235 1.268,1236 1.228,1237 1.335,1238 1.534,1239 0.583,1240 1.51,1241 1.159,1242 1.116,1243 1.307,1244 1.423,1245 0.479,1246 1.411,1247 4.369,1249 5.659,1250 2.398,1251 7.096,1252 4.595,1253 8.6,1254 6.605,1255 10.142,1260 2.239,1261 4.922,1262 9.376,1263 2.963,1264 7.496,1267 -1.129,1272 43.145,1273 130.278,1274 263.353,1275 329.673,1276 370.428,1277 376.428,1278 376.428,1279 187.858,1280 7.134,1281 210.54,1282 247.16,1283 11,1284 12.327,1285 4.17,1286 3.644,1287 102.9,1288 254,1289 264,1290 0.183,1291 289.255,1292 508.71,1293 697.542,1294 14639,1295 1.5,1296 28.131,1297 0.74,1298 0.634,1299 30.235,1300 24.104,1301 17.935,1302 0.46,1303 0.387,1304 11.716,1305 15.326,1306 11.278,1307 9.319,1308 20.103,1309 15.074,1310 16.805,1311 0.323,1312 0.235,1313 20.121,1314 12.209,1315 11.518,1316 0.206,1317 0.143,1318 14.213,1319 8.001,1320 8.283,1321 0.134,1322 0.079,1323 10.235,1324 4.911,1325 6.285,1326 0.092,1327 0.05,1328 8.22,1329 3.389,1330 0.308,1331 140.517,1332 0.202,1333 36.302,1334 0.448,1335 182,1336 703.533,1337 423.274,1338 746.789,1339 944.64,1340 678,1341 199,1342 576.333,1343 334.371,1344 639.893,1345 912.06,1346 595,1347 6.086}
{0 CHEMBL563,1 1.447,2 7.667,3 3.656,4 13.363,5 67.293,6 7.88,7 0.632,8 3.516,9 3.609,10 3.108,11 3.134,12 4.771,13 3.11,14 3.982,15 4.113,16 3.452,17 3.495,18 5.318,19 3.45,20 4.265,21 4.438,22 3.53,23 3.611,24 5.519,25 3.555,26 4.306,27 4.491,28 3.443,29 3.526,30 5.636,31 3.466,32 4.268,33 4.496,34 3.293,35 3.344,36 5.601,37 3.287,38 3.988,39 4.219,40 2.997,41 3.01,42 5.591,43 2.944,44 3.463,45 3.684,46 2.497,47 2.731,48 4.529,49 2.63,50 3.399,51 3.583,52 2.542,53 2.673,54 4.641,55 2.592,56 0.046,57 0.431,58 5.423,59 3.086,60 10.242,61 3.515,62 0.153,63 0.692,64 9.548,65 5.016,66 36.254,67 6.033,68 0.191,69 0.919,70 14.459,71 6.569,72 41.824,73 7.761,74 0.264,75 0.956,76 15.936,77 6.678,78 50.008,79 7.66,80 0.34,81 0.98,82 17.192,83 6.438,84 64.527,85 7.341,86 0.56,87 0.759,88 13.74,89 4.747,90 109.419,91 5.334,92 0.11,93 0.392,94 7.069,95 2.959,96 23.975,97 3.688,98 0.047,99 0.314,100 5.977,101 2.691,102 6.803,103 3.436,104 19,105 26,106 0.274,107 0.583,108 0.704,109 0.826,110 0.859,111 0.859,112 2.96,113 0.895,114 -5.13,115 -5.02,116 -4.7,118 48.4,119 1,121 1,137 8,138 3,139 1,150 1,158 1,161 1,162 13,163 1,166 1,169 1,171 1,174 16,175 2,179 2,184 2,187 14,188 2,192 2,197 2,200 10,201 1,204 1,209 1,212 9,213 1,217 1,222 1,225 7,226 1,231 1,236 1,239 5,240 2,245 2,250 2,253 3,254 2,259 2,264 2,267 1,268 1,272 316,273 11.828,274 11.828,275 11.828,276 11.828,277 11.828,278 10.206,279 8.003,280 6.987,281 11.885,282 9.33,283 9.33,284 9.33,285 9.33,286 9.33,287 6.956,288 9.296,289 3.275,290 9.438,291 3.507,292 1.871,293 1.234,294 0.589,295 0.411,296 0.411,297 3.611,300 1,301 1,302 283,303 2.828,307 119.754,314 1.481,315 25.401,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 39.5,327 138,328 4.409,329 3.79,330 6.487,331 4.048,332 3.061,333 4.08,334 2.397,335 10.063,336 3.019,337 4.055,338 3.212,339 6.246,340 3.801,341 2.803,342 3.459,343 0.242,344 9.081,345 2.791,346 3.615,347 2.658,348 5.156,349 3.17,350 2.188,351 2.993,353 6.037,354 2.138,355 3.231,356 2.372,357 4.75,358 2.782,359 1.787,360 2.456,362 4.767,363 1.763,364 2.908,365 1.667,366 4.031,367 2.457,368 1.492,369 2.069,371 3.512,372 1.423,373 2.608,374 1.315,375 3.511,376 2.125,377 1.126,378 1.652,380 2.648,381 1.122,382 2.5,383 1.005,384 3.247,385 2,386 1,387 1.5,389 2.136,390 1,391 1.969,392 1,393 3.231,394 1.658,395 0.651,396 0.791,398 1.507,399 0.647,400 1.19,401 0.404,402 2.555,403 0.825,404 -0.116,405 -0.145,407 -0.273,408 -0.106,409 0.74,410 0.324,411 2.301,412 0.3,413 -0.651,414 -0.839,416 -1.616,417 -0.61,418 0.564,419 -0.418,420 1.931,421 0.109,422 -0.891,423 -1.203,425 -2,426 -0.891,427 0.5,428 -0.832,429 1.646,431 -1,432 -1.286,434 -2.132,435 -0.961,436 0.436,437 -0.97,438 1.555,440 -1,441 -1.5,443 -2.347,444 -1,445 -0.056,446 -1,447 1.282,448 -0.354,449 -1.31,450 -1.667,452 -3.688,453 -1.227,454 -0.347,455 -1.12,456 1.104,457 -0.51,458 -1.451,459 -1.835,461 -4.03,462 -1.43,463 8.452,464 0.47,465 0.494,466 0.027,467 23.75,468 1.319,469 13.5,470 0.75,471 10.25,472 0.569,473 11.581,474 0.643,475 19.148,476 0.618,477 16.372,478 0.91,479 4.921,480 0.273,481 3.671,482 0.204,483 0.172,485 0.355,488 1,490 0.621,491 0.824,492 0.732,493 0.906,494 0.643,495 0.867,496 0.441,497 0.941,498 0.747,499 1.018,500 0.471,501 0.983,502 0.877,503 1.049,504 0.935,505 1.046,506 0.887,507 1.019,508 1.156,509 1.196,510 1.113,511 1.134,512 1.144,513 1.122,514 1.431,515 1.268,516 1.098,517 0.982,518 1.397,519 0.952,520 1.386,521 1.173,522 1.191,523 0.861,524 1.352,525 0.931,526 0.827,527 0.867,528 1.021,529 0.985,530 0.826,531 1.029,532 0.542,533 0.87,534 0.919,535 1.292,536 0.538,537 1.231,538 3.5,539 0.025,540 2.444,541 1.375,542 0.844,543 0.569,544 0.362,545 0.172,546 0.103,547 0.06,548 2539,549 8452,550 1.963,551 41.9,552 3,553 8,556 1,557 1,561 1.587,562 1.8,563 2.953,564 -0.334,566 1,568 1,570 44.871,571 1.447,572 3.083,573 3.72,574 4.365,575 4.543,576 4.543,577 2.53,578 3.503,579 4.14,580 3.083,581 471.65,582 7.026,583 4398.48,585 1,587 1,588 153.58,589 1.53,590 4.076,591 0.184,592 0.012,593 0.094,594 0.051,595 0.037,596 0.03,597 0.028,598 0.019,599 0.011,600 0.01,601 0.477,602 0.83,603 1,604 1.177,605 75.98,606 -0.048,607 0.062,608 -0.009,609 0.088,610 -0.082,611 0.058,612 0.153,613 -0.047,614 0.038,615 -0.029,616 0.132,617 -0.029,618 -0.06,619 -0.093,620 -0.042,621 -0.07,622 -0.058,623 -0.057,624 -0.124,625 -0.199,626 -0.154,627 -0.171,628 -0.114,629 -0.176,630 -0.15,631 -0.054,632 -0.021,633 -0.008,634 -0.145,635 0.015,636 0.187,637 0.257,638 -0.046,639 0.124,640 0.177,641 0.019,642 -0.06,643 0.103,644 -0.071,645 -0.005,646 -0.064,647 -0.023,648 0.042,649 -0.229,650 -0.043,651 -0.348,652 0.077,653 -0.248,654 2.623,655 5.967,656 0.667,657 12.444,658 1.011,659 1.118,660 3.895,661 15.174,662 0.683,663 2.996,664 3.296,665 3.526,666 3.689,667 3.85,668 3.829,669 3.912,670 3.85,671 3.555,672 3.434,673 4.7,674 0.661,675 244.28,676 2.996,677 4.511,678 5.342,679 6.201,680 7.052,681 7.916,682 8.774,683 9.641,684 10.502,685 11.371,701 8,706 4,708 12,723 1,724 31,726 13,727 2,728 19,730 32,731 15,732 12,733 4,734 8,737 2,738 2,743 1,751 13,752 2,753 1,754 1,758 1,761 1,764 1,765 1,767 13,768 3,769 1,770 3,777 1,778 2,789 2,800 1,808 1,810 2,815 1,817 1,819 18,826 1,831 1,838 1,839 6.5,841 1,842 1,846 10,847 5.76,848 4.028,849 1.808,850 2.32,851 1.384,852 0.931,853 3.542,854 8.356,855 3.296,856 3.871,857 4.407,858 4.945,859 5.474,860 5.633,861 6.025,862 6.306,863 6.386,864 6.601,865 1,866 27,867 6.678,869 2.87,870 0.006,871 8.204,872 12.243,874 9.823,876 2.704,877 48.667,878 0.001,881 141.253,882 104.223,885 67.828,886 14.96,888 104.223,889 209.081,890 14.96,891 8.825,893 75.81,894 68.738,895 18.678,896 14.96,897 141.253,899 141.253,900 104.223,901 82.788,904 156.213,905 67.828,908 8.825,909 95.398,912 156.213,913 67.828,914 104.223,917 141.253,918 19.588,919 84.635,921 82.788,922 141.253,923 82.788,924 104.223,926 0.582,927 0.341,928 0.168,929 0.087,930 12,931 6,932 0.094,933 3,935 1,936 2.965,937 123.505,939 12,940 71.059,944 12.469,945 5.113,946 2.657,948 82.788,949 13.746,954 1.341,956 42.683,957 328.264,958 26,962 10.843,965 -0.957,967 31.353,968 34.665,969 0.292,970 0.622,971 0.751,972 0.881,973 0.917,974 0.917,975 4.5,976 0.651,977 5.333,978 2.136,979 3.97,980 4.554,981 2.35,982 6.129,983 3.946,984 5.709,985 -0.116,986 6.897,987 1.507,988 3.611,989 4.29,990 2.243,991 7.05,992 3.554,993 7.006,994 -0.651,995 8.566,996 -0.273,997 5.549,998 6.703,999 3.742,1000 10.128,1001 5.507,1002 8.34,1003 -0.891,1004 10.296,1005 -1.616,1006 5.994,1007 7.212,1008 4.213,1009 11.854,1010 5.923,1011 9.704,1012 -1,1013 12.062,1014 -2,1015 7.433,1016 9.127,1017 5.351,1018 14.448,1019 7.372,1020 11.089,1021 -1,1022 13.853,1023 -2.132,1024 8.234,1025 10.02,1026 6.05,1027 16.491,1028 8.148,1029 12.491,1030 -1.31,1031 15.661,1032 -2.347,1033 9.473,1034 11.698,1035 7.042,1036 18.905,1037 9.389,1038 3.061,1039 -1.451,1040 17.481,1041 -3.688,1042 10.436,1043 12.805,1044 7.838,1045 21.083,1046 10.331,1047 2.803,1048 10.063,1049 19.31,1050 -4.03,1051 11.591,1052 14.356,1053 8.766,1054 23.425,1055 11.482,1056 2.188,1057 9.081,1058 21.145,1059 4.08,1060 12.628,1061 15.587,1062 9.604,1063 25.664,1064 12.502,1065 1.787,1066 6.037,1067 22.984,1068 3.459,1069 13.75,1070 17.069,1071 10.503,1072 27.976,1073 13.616,1074 1.492,1075 4.767,1076 24.828,1077 2.993,1078 14.822,1079 18.372,1080 11.361,1081 30.243,1082 14.671,1083 1.126,1084 3.512,1085 26.674,1086 2.456,1087 15.931,1088 19.817,1089 12.247,1090 32.543,1091 15.77,1092 1,1093 2.648,1094 28.523,1095 2.069,1096 17.019,1097 21.162,1098 13.113,1099 34.824,1100 16.843,1101 2634,1102 4870,1103 12.137,1104 21.176,1105 28.694,1106 29.045,1107 29.532,1108 28.336,1109 28.218,1110 38,1111 5.279,1112 79.503,1113 27.807,1114 5.141,1115 5.79,1116 6.289,1117 5.048,1118 5.061,1119 7.08,1120 4.03,1121 16.898,1122 5.019,1123 9.888,1124 1.51,1125 1.529,1126 1.554,1127 1.491,1128 1.485,1129 2,1130 0.278,1131 4.184,1132 1.464,1133 4.022,1134 4.044,1135 3.977,1136 3.97,1137 8.201,1138 3.968,1139 3.798,1140 3.827,1141 3.724,1142 3.728,1143 7.474,1144 3.722,1145 3.514,1146 3.542,1147 3.441,1148 3.348,1149 6.351,1150 3.358,1151 3.006,1152 3.039,1153 2.889,1154 2.793,1155 4.792,1156 2.793,1157 2.898,1158 2.957,1159 2.8,1160 2.735,1161 4.539,1162 2.734,1163 2.879,1164 2.935,1165 2.699,1166 2.733,1167 3.931,1168 2.715,1169 2.854,1170 2.925,1171 2.687,1172 2.632,1173 3.674,1174 2.663,1175 2.495,1176 2.566,1177 2.336,1178 2.326,1179 3.617,1180 2.321,1181 0.232,1182 0.199,1183 0.341,1184 0.213,1185 0.161,1186 4.409,1187 0.215,1188 3.79,1189 0.126,1190 6.487,1191 0.53,1192 4.048,1193 0.159,1194 3.061,1195 4.08,1196 2.397,1197 10.063,1198 3.019,1199 1.997,1200 1.978,1201 2.089,1202 2.067,1203 1.243,1204 2.074,1205 1.8,1206 1.771,1207 1.94,1208 1.9,1209 1.064,1210 1.913,1211 1.462,1212 1.425,1213 1.686,1214 1.656,1215 0.788,1216 1.658,1217 0.908,1218 0.857,1219 1.183,1220 1.268,1221 0.282,1222 1.23,1223 0.886,1224 0.821,1225 1.181,1226 1.068,1227 0.218,1228 1.107,1229 0.859,1230 0.814,1231 1.104,1232 1.062,1233 0.15,1234 1.08,1235 0.847,1236 0.804,1237 1.069,1238 1.04,1239 0.056,1240 1.064,1241 0.47,1242 0.412,1243 0.754,1244 0.722,1246 0.74,1247 3.664,1249 4.963,1251 6.469,1253 8.063,1255 9.7,1257 1.541,1259 13.967,1262 8.89,1267 -0.704,1272 20.501,1273 44.871,1274 95.58,1275 115.315,1276 135.315,1277 140.825,1278 140.825,1279 40.038,1280 6.035,1281 37.3,1282 37.3,1283 12,1284 11.916,1285 3.807,1286 3,1287 30.999,1288 52,1289 42,1290 0.317,1291 128.568,1292 226.71,1293 305.465,1294 2505,1295 3.2,1296 13.121,1297 0.729,1298 0.552,1299 12.251,1300 9.93,1301 8.592,1302 0.452,1303 0.298,1304 5.616,1305 8.339,1306 5.458,1307 4.549,1308 8.182,1309 5.67,1310 7.715,1311 0.297,1312 0.16,1313 7.176,1314 4.165,1315 6.327,1316 0.192,1317 0.089,1318 5.928,1319 2.948,1320 4.746,1321 0.122,1322 0.046,1323 4.292,1324 1.795,1325 3.622,1326 0.079,1327 0.025,1328 3.29,1329 1.151,1330 0.482,1331 53.574,1332 0.287,1333 17.984,1334 0.909,1335 90,1336 329.996,1337 98.259,1338 295.533,1339 383.2,1340 272,1341 104,1342 264,1343 110.814,1344 263.877,1345 381.35,1346 248,1347 5.52}
{0 CHEMBL56367,1 1.871,2 7.476,3 2.668,4 7.119,5 78.459,6 9.344,7 0.545,8 3.629,9 3.696,10 3.556,11 3.192,12 4.886,13 3.174,14 4.108,15 4.196,16 3.742,17 3.491,18 5.768,19 3.489,20 4.334,21 4.481,22 3.697,23 3.524,24 5.688,25 3.518,26 4.252,27 4.399,28 3.716,29 3.462,30 5.584,31 3.448,32 4.208,33 4.314,34 3.745,35 3.479,36 5.785,37 3.469,38 4.236,39 4.391,40 3.647,41 3.494,42 5.571,43 3.442,44 4.244,45 4.422,46 3.709,47 3.427,48 5.612,49 3.37,50 4.196,51 4.343,52 3.453,53 3.127,54 6.14,55 3.143,56 0.203,57 0.495,58 6.658,59 3.26,60 21.887,61 3.043,62 0.484,63 0.72,64 12.837,65 5.476,66 78.709,67 5.348,68 0.697,69 0.82,70 14.355,71 5.695,72 83.921,73 5.421,74 0.611,75 0.752,76 16.083,77 5.915,78 73.651,79 5.676,80 0.759,81 0.727,82 14.045,83 5.777,84 83.741,85 5.495,86 0.559,87 0.79,88 13.188,89 5.514,90 66.644,91 5.827,92 0.525,93 0.784,94 18.48,95 6.289,96 68.672,97 6.633,98 0.893,99 0.625,100 16.269,101 5.045,102 169.919,103 4.692,104 31,105 31,106 0.343,107 0.587,108 0.694,109 0.805,110 0.831,111 0.831,112 3.103,113 1.054,114 -3.34,115 -3.33,116 -3.19,118 39.4,123 1,137 8,139 4,157 2,162 5,165 2,166 5,169 2,171 1,174 5,179 8,182 1,184 2,187 3,191 1,192 6,200 2,203 4,204 4,207 1,209 2,212 4,217 2,220 2,222 2,225 5,230 2,231 10,236 1,239 3,244 4,245 9,253 1,259 4,272 633,273 13.378,274 13.378,275 13.378,276 13.378,277 13.378,278 11.222,279 14.528,280 7.919,281 13.655,282 10.894,283 10.894,284 10.894,285 10.894,286 10.894,287 7.689,288 16.967,289 3.815,290 11.385,291 3.174,292 1.841,293 1.258,294 0.652,295 0.508,296 0.508,297 3.757,299 1,300 1,301 1,302 317,303 3.606,307 140.559,314 1.12,315 36.578,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 48,327 157,328 4.656,329 4.312,330 6.52,331 4.115,332 3.175,333 4.451,334 2.612,335 10.391,336 2.972,337 4.34,338 3.782,339 6.147,340 3.842,341 2.891,342 4.055,343 0.86,344 9.13,345 2.737,346 3.997,347 3.169,348 5.79,349 3.515,350 2.568,351 3.534,353 7.786,354 2.423,355 3.799,356 2.609,357 5.306,358 3.306,359 2.338,360 3.341,362 6.804,363 2.257,364 2.983,365 1.916,366 4.335,367 2.534,368 1.575,369 2.164,371 4.099,372 1.502,373 2.922,374 1.799,375 3.798,376 2.292,377 1.312,378 2.027,380 3.021,381 1.281,382 2.76,383 1.421,384 3.578,385 2.234,386 1.241,387 1.874,389 2.895,390 1.231,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 1.604,401 1,402 3.172,403 1.245,404 0.306,405 0.381,407 0.799,408 0.285,409 1.114,410 0.813,411 2.837,412 0.743,413 -0.191,414 -0.237,416 -0.519,417 -0.177,418 1,419 0.451,420 2.311,421 0.235,422 -0.735,423 -0.944,425 -1.913,426 -0.697,427 1,428 0.051,429 2.145,430 0.149,431 -0.834,432 -1.098,434 -2,435 -0.768,436 0.683,437 -0.529,438 2,440 -1,441 -1.283,443 -2.347,444 -0.838,445 0.584,446 -0.651,447 2,449 -1,450 -1.5,452 -2.494,453 -1,454 0.5,455 -1,456 1.653,458 -1,459 -1.705,461 -3,462 -1,463 9.8,464 0.467,465 0.737,466 0.035,467 32,468 1.524,469 19,470 0.905,471 13,472 0.619,473 11.922,474 0.568,475 23.2,476 0.703,477 23.59,478 1.123,479 6.327,480 0.301,481 3.522,482 0.168,483 0.187,484 0.085,485 0.245,490 0.443,491 1.198,492 0.77,493 1.245,494 0.614,495 0.914,496 0.591,497 1.294,498 1.103,499 1.333,500 0.44,501 1.074,502 1.28,503 0.92,504 0.919,505 0.78,506 1.022,507 0.951,508 1.146,509 0.951,510 0.943,511 0.948,512 0.913,513 0.893,514 0.841,515 0.968,516 0.997,517 0.999,518 0.885,519 0.977,520 0.899,521 1.09,522 0.913,523 0.952,524 0.884,525 1.095,526 0.743,527 1.168,528 1.019,529 1.245,530 0.907,531 1.06,532 1.27,533 0.943,534 1.17,535 1.018,536 1.355,537 1.076,538 6,540 2,541 1.25,542 1.444,543 0.674,544 0.669,545 0.49,546 0.144,547 0.078,548 3722,549 15712,550 1.93,551 36.4,553 11,556 1,561 1.639,562 1.762,563 2.886,564 -0.151,566 1,568 1,570 61.73,571 1.871,572 3.203,573 3.787,574 4.393,575 4.537,576 4.537,577 2.226,578 3.785,579 4.363,580 3.076,581 645.979,582 7.514,583 7032.82,584 1,585 1,586 1,587 1,588 166.465,589 1.705,590 4.283,591 0.273,593 0.065,594 0.045,595 0.053,596 0.023,597 0.027,598 0.02,599 0.008,600 0.016,601 0.529,602 0.33,603 1,604 1.234,605 93.853,606 0.186,607 0.004,608 0.224,609 -0.066,610 -0.103,611 0.012,612 0.227,613 -0.214,614 -0.147,615 -0.252,616 0.314,617 -0.142,618 -0.284,619 0.053,620 -0.129,621 0.058,622 -0.188,623 -0.046,624 -0.166,625 0.014,626 0.033,627 0.033,628 -0.104,629 0.078,630 0.198,631 0.013,632 -0.064,634 0.049,635 -0.048,636 -0.082,637 -0.087,638 -0.053,639 -0.035,640 -0.106,641 -0.136,642 0.065,643 -0.156,644 0.131,645 -0.162,646 -0.014,647 -0.018,648 0.039,649 -0.044,650 -0.159,651 -0.111,652 0.266,653 -0.161,654 4.442,655 4.324,656 0.571,657 15.66,658 1.04,659 1.122,660 2.112,661 4.462,662 0.689,663 3.135,664 3.466,665 3.555,666 3.784,667 4.025,668 4.007,669 4.143,670 4.111,671 3.807,672 3.689,673 5.001,674 0.68,675 308.34,676 3.135,677 4.673,678 5.468,679 6.344,680 7.166,681 8.043,682 8.88,683 9.756,684 10.602,685 11.477,686 6.1,691 1,697 1,701 8,706 4,708 12,719 1,722 1,724 33,726 16,727 2,728 22,730 34,731 13,732 12,733 4,734 8,737 2,738 2,751 12,752 1,754 4,755 1,756 1,758 4,763 1,764 1,767 12,768 6,769 1,770 8,771 1,773 2,777 1,778 5,789 2,810 2,813 1,815 1,819 21,823 1,828 1,829 1,839 15.2,842 2,844 1,845 2,846 11.917,847 6.117,848 4.514,849 1.644,850 2.533,851 1.402,852 0.953,853 4.454,854 8.839,855 3.497,856 4.143,857 4.466,858 5.007,859 5.564,860 5.705,861 6.108,862 6.405,863 6.394,864 6.624,865 0.8,866 28,867 7.907,869 3.553,870 0.006,871 8.433,872 13.893,874 10.975,876 2.933,877 61.583,881 129.482,882 104.808,883 22.075,885 106.06,887 5.807,888 99.001,889 235.542,890 22.075,891 12.86,893 81.617,894 60.718,895 27,897 129.482,898 50.747,899 129.482,900 121.076,901 106.06,902 5.807,904 129.482,905 55.313,906 50.747,909 99.001,910 27.882,912 129.482,913 128.135,914 104.808,916 5.807,917 129.482,918 16,919 88.67,920 16.405,921 106.06,922 129.482,923 128.135,924 104.808,926 0.588,927 0.292,928 0.151,929 0.094,930 14,931 7,932 0.147,933 5,935 1,936 3.204,937 153.375,939 12,940 84.239,943 1,944 15.288,945 6.119,946 4.445,948 122.465,949 12.22,954 0.433,956 16.405,957 362.425,958 32,959 -0.581,960 -3.525,962 44.274,967 34.335,968 37.04,969 0.371,970 0.635,971 0.751,972 0.871,973 0.899,974 0.899,975 4.718,976 1,977 5.509,978 2.895,979 4.143,980 4.828,981 2.616,982 6.312,983 4.051,984 5.985,985 0.306,986 7.072,987 2.136,988 4.007,989 5.017,990 2.361,991 7.448,992 3.816,993 7.346,994 -0.191,995 8.742,996 0.799,997 5.802,998 7.158,999 4.172,1000 10.337,1001 5.596,1002 8.742,1003 -0.735,1004 10.47,1005 -0.519,1006 6.382,1007 8.066,1008 4.506,1009 12.181,1010 6.066,1011 10.165,1012 -0.834,1013 12.234,1014 -1.913,1015 7.757,1016 9.785,1017 5.95,1018 14.678,1019 7.423,1020 11.608,1021 -1,1022 14.019,1023 -2,1024 8.633,1025 10.986,1026 6.556,1027 16.79,1028 8.196,1029 13.064,1030 -1,1031 15.819,1032 -2.347,1033 9.851,1034 12.555,1035 7.795,1036 19.162,1037 9.383,1038 3.175,1039 -1,1040 17.63,1041 -2.494,1042 10.861,1043 13.889,1044 8.548,1045 21.388,1046 10.301,1047 2.891,1048 10.391,1049 19.448,1050 -3,1051 12.019,1052 15.397,1053 9.67,1054 23.72,1055 11.414,1056 2.568,1057 9.13,1058 21.273,1059 4.451,1060 13.093,1061 16.797,1062 10.509,1063 25.997,1064 12.404,1065 2.338,1066 7.786,1067 23.102,1068 4.055,1069 14.23,1070 18.281,1071 11.563,1072 28.319,1073 13.488,1074 1.575,1075 6.804,1076 24.935,1077 3.534,1078 15.334,1079 19.716,1080 12.452,1081 30.622,1082 14.516,1083 1.312,1084 4.099,1085 26.772,1086 3.341,1087 16.467,1088 21.193,1089 13.468,1090 32.944,1091 15.588,1092 1.241,1093 3.021,1094 28.611,1095 2.164,1096 17.588,1097 22.647,1098 14.386,1099 35.26,1100 16.637,1101 3862,1102 8085,1103 13.811,1104 22.739,1105 32.94,1106 35.075,1107 33.096,1108 32.902,1109 32.812,1110 46.65,1111 6.945,1112 94.119,1113 31.377,1114 5.46,1115 6.312,1116 6.322,1117 5.171,1118 5.175,1119 7.451,1120 4.612,1121 17.06,1122 4.972,1123 12.463,1124 1.497,1125 1.594,1126 1.504,1127 1.496,1128 1.491,1129 2.12,1130 0.316,1131 4.278,1132 1.426,1133 4.057,1134 4.06,1135 4.716,1136 3.978,1137 7.815,1138 3.928,1139 3.887,1140 3.889,1141 3.956,1142 3.821,1143 7.718,1144 3.784,1145 3.846,1146 3.84,1147 3.791,1148 3.744,1149 6.999,1150 3.684,1151 3.457,1152 3.468,1153 3.453,1154 3.032,1155 6.999,1156 3.131,1157 2.989,1158 3.016,1159 2.896,1160 2.815,1161 4.922,1162 2.827,1163 2.854,1164 2.925,1165 2.687,1166 2.735,1167 4.649,1168 2.715,1169 2.772,1170 2.879,1171 2.594,1172 2.61,1173 4.168,1174 2.596,1175 2.722,1176 2.786,1177 2.558,1178 2.447,1179 3.841,1180 2.468,1181 0.212,1182 0.196,1183 0.296,1184 0.187,1185 0.144,1186 4.656,1187 0.202,1188 4.312,1189 0.119,1190 6.52,1191 0.472,1192 4.115,1193 0.135,1194 3.175,1195 4.451,1196 2.612,1197 10.391,1198 2.972,1199 1.939,1200 1.927,1201 2.017,1202 2.098,1203 1.119,1204 2.074,1205 1.848,1206 1.824,1207 1.951,1208 1.953,1209 1.031,1210 1.962,1211 1.667,1212 1.699,1213 1.608,1214 1.851,1215 0.922,1216 1.886,1217 1.172,1218 1.15,1219 1.258,1220 1.597,1221 0.239,1222 1.514,1223 0.936,1224 0.902,1225 1.181,1226 1.148,1227 0.218,1228 1.145,1229 0.886,1230 0.821,1231 1.152,1232 1.074,1233 0.195,1234 1.107,1235 0.744,1236 0.685,1237 1.019,1238 1.062,1239 0.105,1240 1.098,1241 0.697,1242 0.609,1243 0.874,1244 0.918,1246 0.957,1247 3.807,1249 5.13,1251 6.624,1253 8.193,1255 9.803,1257 0.987,1264 2.261,1265 5.515,1272 22.438,1273 61.73,1274 105.71,1275 124.955,1276 144.955,1277 149.71,1278 149.71,1279 54.264,1280 6.306,1281 101.22,1282 109.6,1283 12,1284 12.022,1285 4.087,1286 3.459,1287 38.898,1288 59,1289 61,1290 0.314,1291 144.893,1292 252.92,1293 345.299,1294 3655,1296 15.458,1297 0.736,1298 0.563,1299 15.708,1300 11.832,1301 9.849,1302 0.448,1303 0.351,1304 5.893,1305 8.564,1306 5.586,1307 4.67,1308 10.776,1309 7.733,1310 9.842,1311 0.317,1312 0.193,1313 11.224,1314 5.975,1315 6.359,1316 0.187,1317 0.089,1318 6.796,1319 3.033,1320 5.163,1321 0.12,1322 0.051,1323 5.691,1324 2.177,1325 4.335,1326 0.079,1327 0.026,1328 4.816,1329 1.457,1330 0.474,1331 72.459,1332 0.269,1333 20.544,1334 0.919,1335 106,1336 441.516,1337 152.611,1338 436.069,1339 563.5,1340 394,1341 118,1342 383.712,1343 171.079,1344 410.206,1345 577.84,1346 379,1347 4.18}
{0 CHEMBL568,1 1.707,2 6.5,3 2.839,4 8.061,5 76.095,6 9.249,7 0.545,8 3.566,9 3.654,10 3.305,11 3.198,12 4.798,13 3.191,14 4.033,15 4.139,16 3.703,17 3.576,18 5.34,19 3.552,20 4.338,21 4.49,22 3.851,23 3.736,24 5.712,25 3.698,26 4.3,27 4.469,28 3.737,29 3.659,30 5.524,31 3.621,32 4.255,33 4.407,34 3.795,35 3.641,36 5.57,37 3.606,38 4.309,39 4.475,40 3.67,41 3.577,42 5.624,43 3.501,44 4.131,45 4.348,46 3.348,47 3.218,48 5.482,49 3.082,50 3.472,51 3.752,52 2.126,53 2.422,54 4.526,55 2.178,56 0.081,57 0.414,58 3.994,59 2.486,60 11.796,61 2.653,62 0.196,63 0.661,64 7.069,65 4.071,66 21.924,67 4.566,68 0.44,69 0.886,70 15.063,71 5.884,72 59.311,73 6.761,74 0.286,75 0.849,76 14.158,77 5.689,78 36.4,79 6.352,80 0.265,81 0.781,82 12.523,83 5.514,84 27.153,85 6.31,86 0.356,87 0.768,88 15.969,89 6.299,90 46.734,91 6.663,92 0.495,93 0.594,94 20.905,95 6.002,96 63.786,97 6.802,98 0.232,99 0.296,100 13.356,101 3.416,102 31.705,103 4.211,104 10,105 31,106 0.319,107 0.624,108 0.74,109 0.86,110 0.877,111 0.877,112 3.06,113 0.879,114 -4.35,115 -4.28,116 -4.04,118 48.4,127 1,137 8,138 2,139 2,149 1,150 1,162 8,166 2,169 2,171 2,174 11,178 1,179 3,182 2,183 1,184 2,187 10,192 5,197 3,200 5,204 6,209 7,212 7,217 2,222 5,225 7,231 3,236 3,239 5,245 1,253 2,272 454,273 13.43,274 13.43,275 13.43,276 13.43,277 13.43,278 11.667,279 13.631,280 7.922,281 13.687,282 10.86,283 10.86,284 10.86,285 10.86,286 10.86,287 8.161,288 18.783,289 3.791,290 11.332,291 3.247,292 1.613,293 0.992,294 0.347,295 0.258,296 0.258,297 3.738,298 1,299 1,300 1,301 1,302 277,303 1.871,307 90.783,308 48.206,312 77.944,314 0.95,315 23.396,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 43.333,327 130,328 4.515,329 3.796,330 6.72,331 4.148,332 3.172,333 4.138,334 2.121,335 10.968,336 3.094,337 3.975,338 3.225,339 5.865,340 3.598,341 2.615,342 3.548,343 0.899,344 8.043,345 2.563,346 3.85,347 2.887,348 5.779,349 3.516,350 2.557,351 3.096,352 0.204,353 7.766,354 2.448,355 3.434,356 2.533,357 4.957,358 2.965,359 2.081,360 2.736,362 5.792,363 1.835,364 3.325,365 2.269,366 4.757,367 2.854,368 1.881,369 2.586,371 5.079,372 1.738,373 2.771,374 1.82,375 3.926,376 2.322,377 1.329,378 1.886,380 3.106,381 1.318,382 2.612,383 1.33,384 3.743,385 2.126,386 1.148,387 1.578,389 2.901,390 1.107,391 2.5,392 1.035,393 3.356,394 2,395 1,396 1.5,398 2.136,399 1,400 2.023,401 1,402 3.247,403 1.546,404 0.586,405 0.785,407 1.544,408 0.555,409 1.504,410 0.805,411 2.935,412 1.091,413 0.176,414 0.218,416 0.43,417 0.145,418 0.825,419 0.194,420 2.374,421 0.377,422 -0.549,423 -0.65,425 -1.348,426 -0.417,427 0.702,428 -0.168,429 2.31,430 0.257,431 -0.665,432 -0.829,434 -1.616,435 -0.567,436 0.683,437 -0.404,438 2,439 0.225,440 -0.751,441 -1.011,443 -1.996,444 -0.75,445 0.5,446 -0.713,447 1.839,449 -1,450 -1.5,452 -2.347,453 -1,454 0.181,455 -0.934,456 1.555,457 -0.175,458 -1.125,459 -1.512,461 -3.029,462 -1.058,463 9.681,464 0.484,465 0.524,466 0.026,467 28.25,468 1.413,469 15.5,470 0.775,471 12.75,472 0.638,473 12.9,474 0.645,475 20.319,476 0.655,477 19.873,478 0.994,479 5.788,480 0.289,481 3.86,482 0.193,483 0.143,485 0.362,490 0.772,491 1.028,492 0.561,493 0.75,494 0.76,495 0.723,496 0.649,497 1.155,498 0.668,499 0.922,500 0.678,501 0.929,502 0.761,503 1.005,504 0.915,505 0.917,506 0.747,507 0.932,508 1.035,509 1.043,510 0.852,511 0.922,512 0.972,513 0.927,514 0.82,515 1.109,516 0.728,517 1.063,518 0.837,519 0.998,520 1.403,521 1.062,522 1.15,523 1.1,524 1.403,525 1.15,526 1.214,527 0.874,528 1.466,529 1.201,530 1.24,531 1.174,532 1.364,533 0.667,534 1.775,535 1.092,536 1.372,537 1.131,538 4,540 2.444,541 1.25,542 1.544,543 0.726,544 0.527,545 0.146,546 0.041,548 3231,549 11165,550 2.077,551 35.5,553 8,554 1,556 2,561 1.629,562 1.935,563 2.732,564 0.361,566 1,568 1,570 52.923,571 1.707,572 3.341,573 3.962,574 4.607,575 4.696,576 4.696,577 2.121,578 3.922,579 4.296,580 2.826,581 537,582 7.393,583 5374.7,584 1,585 1,586 1,587 1,588 153.58,589 1.441,590 4.248,591 0.182,593 0.079,594 0.036,595 0.05,596 0.023,597 0.022,598 0.011,599 0.014,601 0.416,602 0.5,603 1,604 0.627,605 85.368,606 -0.112,607 0.021,608 -0.013,609 0.086,610 -0.154,611 0.069,612 0.083,613 -0.109,614 -0.028,615 -0.07,616 -0.003,617 -0.11,618 0.145,619 0.035,620 -0.061,621 -0.007,622 0.139,623 -0.036,624 -0.151,625 -0.013,626 -0.043,627 -0.008,628 -0.108,629 -0.004,630 0.047,631 -0.122,632 0.076,633 -0.141,634 0.05,635 -0.075,636 -0.231,637 -0.146,638 -0.113,639 -0.106,640 -0.187,641 -0.176,642 0.055,643 -0.032,644 -0.012,645 -0.086,646 0.048,647 -0.046,648 -0.191,649 0.135,650 -0.14,651 0.11,652 -0.162,653 0.146,654 2.767,655 4.737,656 0.85,657 11.44,658 1.019,659 1.111,660 3.116,661 9.71,662 0.729,663 3.135,664 3.466,665 3.738,666 4.007,667 4.317,668 4.407,669 4.477,670 4.489,671 4.419,672 4.344,673 4.246,674 0.708,675 286.73,676 3.135,677 4.673,678 5.525,679 6.409,680 7.287,681 8.177,682 9.064,683 9.957,684 10.848,685 11.741,686 6.5,693 1,695 1,701 8,706 4,708 12,711 1,723 1,724 31,726 14,727 2,728 22,730 33,731 15,732 12,733 4,734 8,735 1,737 3,738 4,739 1,751 14,752 1,754 2,758 1,760 1,761 2,763 1,764 1,767 11,768 4,769 2,770 5,771 1,773 2,777 0.667,778 2,789 2,790 1,794 1,798 1,808 1,810 2,816 1,819 20,826 1,828 1,831 1,838 1,839 6.5,840 1,842 1,846 10.333,847 5.46,848 4.361,849 1.712,850 2.559,851 1.379,852 0.963,853 3.365,854 9.302,855 3.434,856 4.025,857 4.595,858 5.162,859 5.744,860 5.97,861 6.331,862 6.605,863 6.83,864 7.034,865 1,866 35,867 7.389,869 3.236,870 0.006,871 7.997,872 13.66,874 11.213,876 2.497,877 49.944,881 105.94,882 95.9,883 34.796,884 39.149,885 67.828,888 95.9,889 212.917,890 34.796,892 18.011,893 118.493,894 32.606,895 29.414,896 11.771,897 94.169,898 39.149,899 105.94,900 130.696,901 67.828,902 39.149,904 105.94,905 25.145,906 42.683,908 34.796,909 95.9,910 39.149,912 105.94,913 102.625,914 135.049,917 105.94,918 20.09,919 75.81,920 18.011,921 123.762,922 105.94,923 102.625,924 135.049,926 0.585,927 0.342,928 0.185,929 0.117,930 16,931 7,932 0.03,933 1,934 1,935 1.118,936 3.104,937 158.262,938 0.118,939 17,940 82.439,944 13.005,945 5.175,946 2.525,948 102.625,949 14.467,954 2.622,956 60.694,957 343.613,958 30,962 11.737,964 4.111,965 -0.02,967 31.6,968 34.435,969 0.345,970 0.674,971 0.8,972 0.93,973 0.948,974 0.948,975 4.663,976 1,977 5.517,978 2.901,979 4.143,980 4.71,981 2.319,982 6.337,983 4.065,984 5.876,985 0.586,986 7.083,987 2.136,988 3.761,989 4.443,990 1.844,991 7.248,992 3.611,993 7.182,994 0.176,995 8.749,996 1.544,997 5.74,998 6.865,999 3.36,1000 10.373,1001 5.604,1002 8.522,1003 -0.549,1004 10.475,1005 0.43,1006 6.155,1007 7.38,1008 3.539,1009 12.12,1010 5.969,1011 9.892,1012 -0.665,1013 12.239,1014 -1.348,1015 7.622,1016 9.286,1017 4.68,1018 14.767,1019 7.44,1020 11.283,1021 -0.751,1022 14.029,1023 -1.616,1024 8.411,1025 10.194,1026 5.144,1027 16.876,1028 8.193,1029 12.692,1030 -1,1031 15.839,1032 -1.996,1033 9.672,1034 11.861,1035 6.103,1036 19.356,1037 9.448,1038 3.172,1039 -1.125,1040 17.664,1041 -2.347,1042 10.643,1043 12.988,1044 6.703,1045 21.626,1046 10.39,1047 2.615,1048 10.968,1049 19.5,1050 -3.029,1051 11.822,1052 14.531,1053 7.566,1054 24.047,1055 11.556,1056 2.557,1057 8.043,1058 21.346,1059 4.138,1060 12.883,1061 15.784,1062 8.237,1063 26.387,1064 12.59,1065 2.081,1066 7.766,1067 23.201,1068 3.548,1069 14.033,1070 17.263,1071 9.048,1072 28.788,1073 13.722,1074 1.881,1075 5.792,1076 25.062,1077 3.096,1078 15.138,1079 18.586,1080 9.756,1081 31.159,1082 14.8,1083 1.329,1084 5.079,1085 26.929,1086 2.736,1087 16.281,1088 20.033,1089 10.541,1090 33.555,1091 15.922,1092 1.148,1093 3.106,1094 28.801,1095 2.586,1096 17.407,1097 21.397,1098 11.269,1099 35.938,1100 17.023,1101 3197,1102 6030,1103 14.622,1104 22.585,1105 33.745,1106 34.491,1107 34.209,1108 33.24,1109 33.091,1110 44.142,1111 6.448,1112 95.529,1113 31.604,1114 5.374,1115 5.796,1116 6.522,1117 5.171,1118 5.172,1119 7.138,1120 3.683,1121 18.142,1122 5.094,1123 9.029,1124 1.534,1125 1.568,1126 1.555,1127 1.511,1128 1.504,1129 2.006,1130 0.293,1131 4.342,1132 1.437,1133 4.024,1134 4.049,1135 4.054,1136 3.954,1137 7.43,1138 3.956,1139 3.825,1140 3.855,1141 3.82,1142 3.768,1143 6.448,1144 3.76,1145 3.555,1146 3.576,1147 3.607,1148 3.344,1149 4.958,1150 3.378,1151 3.153,1152 3.201,1153 3.223,1154 2.997,1155 4.771,1156 3.014,1157 2.932,1158 2.966,1159 3.099,1160 2.788,1161 4.448,1162 2.783,1163 2.854,1164 2.925,1165 2.687,1166 2.735,1167 4.179,1168 2.715,1169 2.744,1170 2.808,1171 2.634,1172 2.607,1173 3.674,1174 2.594,1175 2.622,1176 2.653,1177 2.566,1178 2.353,1179 3.659,1180 2.393,1181 0.205,1182 0.173,1183 0.305,1184 0.189,1185 0.144,1186 4.515,1187 0.188,1188 3.796,1189 0.096,1190 6.72,1191 0.499,1192 4.148,1193 0.141,1194 3.172,1195 4.138,1196 2.121,1197 10.968,1198 3.094,1199 1.958,1200 1.937,1201 2.044,1202 2.029,1203 1.16,1204 2.037,1205 1.827,1206 1.802,1207 1.924,1208 1.92,1209 1.019,1210 1.926,1211 1.476,1212 1.447,1213 1.587,1214 1.744,1215 0.644,1216 1.7,1217 1.123,1218 1.092,1219 1.25,1220 1.3,1221 0.342,1222 1.288,1223 0.886,1224 0.821,1225 1.181,1226 1.085,1227 0.218,1228 1.107,1229 0.864,1230 0.818,1231 1.088,1232 1.062,1233 0.162,1234 1.092,1235 0.732,1236 0.674,1237 1.001,1238 0.929,1239 0.079,1240 0.962,1241 0.354,1242 0.327,1243 0.658,1244 0.745,1246 0.718,1247 3.807,1249 5.13,1251 6.648,1252 2.708,1253 8.251,1254 5.38,1255 9.902,1258 6.025,1262 9.798,1264 2.637,1267 -1.434,1272 21.934,1273 52.923,1274 103.58,1275 122.825,1276 142.825,1277 145.58,1278 145.58,1279 31.787,1280 6.743,1281 61.69,1282 61.69,1283 19,1284 12.268,1285 3.907,1286 3.17,1287 29.545,1288 50,1289 50,1290 0.299,1291 138.97,1292 242.85,1293 330.847,1294 6500,1295 3.2,1296 14.113,1297 0.706,1298 0.557,1299 14.613,1300 11.133,1301 9.648,1302 0.439,1303 0.293,1304 6.036,1305 9.086,1306 5.899,1307 4.855,1308 9.937,1309 6.448,1310 8.83,1311 0.285,1312 0.156,1313 9.238,1314 4.833,1315 7.405,1316 0.181,1317 0.08,1318 7.668,1319 3.263,1320 5.955,1321 0.11,1322 0.042,1323 6.175,1324 2.267,1325 5.364,1326 0.072,1327 0.023,1328 5.655,1329 1.675,1330 0.437,1331 63.034,1332 0.262,1333 19.147,1334 0.93,1335 106,1336 332.067,1337 130.056,1338 353.305,1339 468.07,1340 328,1341 125,1342 314.49,1343 143.49,1344 329.324,1345 485.78,1346 311,1347 4.16}
{0 CHEMBL571,1 1.346,2 7.842,3 3.336,4 11.128,5 72.516,6 7.706,7 0.6,8 3.569,9 3.658,10 3.144,11 3.198,12 4.807,13 3.168,14 4.03,15 4.157,16 3.473,17 3.555,18 5.331,19 3.501,20 4.31,21 4.478,22 3.551,23 3.664,24 5.563,25 3.6,26 4.359,27 4.536,28 3.449,29 3.573,30 5.684,31 3.51,32 4.249,33 4.443,34 3.346,35 3.471,36 5.509,37 3.404,38 4.119,39 4.314,40 3.174,41 3.344,42 5.352,43 3.259,44 3.988,45 4.19,46 2.985,47 3.152,48 5.462,49 3.051,50 3.744,51 3.97,52 2.664,53 2.927,54 4.88,55 2.801,56 0.03,57 0.378,58 5.908,59 3.195,60 9.492,61 3.774,62 0.131,63 0.606,64 10.22,65 5.171,66 36.567,67 6.439,68 0.121,69 0.794,70 15.094,71 6.76,72 32.105,73 8.372,74 0.267,75 0.809,76 17.187,77 6.774,78 62.183,79 7.951,80 0.215,81 0.732,82 15.59,83 6.192,84 53.491,85 7.557,86 0.161,87 0.646,88 13.454,89 5.496,90 39.801,91 6.812,92 0.361,93 0.558,94 12.362,95 4.735,96 83.744,97 5.978,98 0.07,99 0.451,100 9.339,101 3.906,102 17.007,103 5.172,104 19,105 27,106 0.25,107 0.547,108 0.666,109 0.799,110 0.848,111 0.864,112 3.01,113 0.903,114 -4.6,115 -4.53,116 -4.26,118 48.5,119 1,121 1,137 9,138 3,149 1,150 1,158 1,161 1,162 14,163 1,166 3,169 1,171 1,174 16,175 2,179 6,184 2,187 14,188 2,192 6,197 2,200 11,201 2,204 5,209 2,212 12,213 1,217 2,218 1,222 1,225 11,226 1,230 1,231 1,234 1,236 1,239 8,240 2,245 2,250 2,253 4,254 2,259 2,264 2,267 1,268 1,272 422,273 12.535,274 12.535,275 12.535,276 12.535,277 12.535,278 10.874,279 7.666,280 7.46,281 12.516,282 9.82,283 9.82,284 9.82,285 9.82,286 9.82,287 7.311,288 8.063,289 3.5,290 9.768,291 3.699,292 2.093,293 1.456,294 0.735,295 0.47,296 0.387,297 3.662,299 1,300 1,301 1,302 304,303 3.24,307 128.564,314 1.235,315 24.413,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 41,327 149,328 4.368,329 3.79,330 6.435,331 4.045,332 3.032,333 3.955,334 2.397,335 9.84,336 3.071,337 4.092,338 3.579,339 6.244,340 3.833,341 2.823,342 3.546,343 0.242,344 9.057,345 2.841,346 3.675,347 2.754,348 5.283,349 3.259,350 2.258,351 3.038,353 6.45,354 2.255,355 3.305,356 2.21,357 4.79,358 2.855,359 1.845,360 2.556,362 4.901,363 1.852,364 2.93,365 1.944,366 3.891,367 2.471,368 1.464,369 2.086,371 3.283,372 1.469,373 2.675,374 1.324,375 3.515,376 2.199,377 1.197,378 1.746,380 2.642,381 1.197,382 2.5,383 1.256,384 3.303,385 2,386 1,387 1.5,389 2.136,390 1,391 2.328,392 1.007,393 3.247,394 1.745,395 0.689,396 1.074,398 1.686,399 0.721,400 1.922,401 1,402 3.115,403 1.609,404 0.597,405 0.733,407 1.363,408 0.597,409 0.788,410 0.389,411 2.299,412 0.342,413 -0.663,414 -0.881,416 -1.548,417 -0.664,418 0.735,419 -0.306,420 2,421 0.279,422 -0.756,423 -1.042,425 -1.64,426 -0.773,427 0.605,428 -0.594,429 1.651,430 0.169,431 -0.846,432 -1.25,434 -2,435 -0.863,436 0.5,437 -0.752,438 1.555,440 -1,441 -1.281,443 -2.347,444 -0.961,445 0.435,446 -0.97,447 1.488,449 -1,450 -1.5,452 -2.35,453 -1,454 -0.074,455 -1,456 1.301,457 -0.393,458 -1.394,459 -1.702,461 -3.796,462 -1.413,463 9,464 0.474,465 0.494,466 0.026,467 25.75,468 1.355,469 15,470 0.789,471 10.75,472 0.566,473 11.918,474 0.627,475 19.8,476 0.6,477 18.231,478 0.96,479 5.308,480 0.279,481 3.785,482 0.199,483 0.167,485 0.333,490 0.657,491 0.914,492 0.768,493 0.91,494 0.664,495 0.869,496 0.406,497 1.023,498 0.795,499 1.03,500 0.472,501 0.995,502 0.843,503 1.091,504 0.93,505 1.084,506 0.84,507 1.035,508 1.419,509 1.01,510 1.156,511 1.004,512 1.415,513 1.025,514 1.201,515 0.943,516 1.005,517 0.935,518 1.224,519 0.933,520 1.071,521 1.068,522 1.058,523 1.066,524 1.1,525 1.061,526 0.866,527 0.932,528 1.072,529 0.955,530 0.9,531 1.035,532 0.675,533 1.201,534 0.994,535 1.206,536 0.644,537 1.17,538 3.5,539 0.025,540 2.444,541 1.438,542 0.733,543 0.542,544 0.403,545 0.196,546 0.103,547 0.06,548 2936,549 9300,550 1.965,551 42.4,552 3,553 9,556 1,557 1,561 1.605,562 1.81,563 3.028,564 -0.353,566 1,567 1,568 1,570 44.407,571 1.346,572 2.952,573 3.589,574 4.309,575 4.574,576 4.658,577 2.484,578 3.827,579 4.221,580 3.11,581 531.789,582 7.198,583 5211.43,584 1,585 1,587 1,588 166.465,589 1.509,590 4.159,591 0.175,592 0.012,593 0.091,594 0.051,595 0.031,596 0.025,597 0.022,598 0.014,599 0.01,600 0.01,601 0.441,602 0.67,603 1,604 1.144,605 81.983,606 -0.055,607 0.089,608 -0.007,609 0.085,610 -0.089,611 0.055,612 0.192,613 -0.033,614 0.018,615 -0.04,616 0.134,617 -0.044,618 -0.033,619 -0.116,620 -0.023,621 -0.109,622 -0.01,623 -0.072,624 -0.199,625 -0.042,626 -0.163,627 -0.049,628 -0.172,629 -0.09,630 -0.123,631 0.026,632 -0.012,633 0.03,634 -0.131,635 0.03,636 -0.094,637 -0.102,638 -0.083,639 -0.1,640 -0.105,641 -0.092,642 0.259,643 0.033,644 -0.055,645 0.007,646 0.247,647 -0.068,648 0.035,649 -0.244,650 -0.022,651 -0.231,652 0.052,653 -0.155,654 2.565,655 5.244,656 0.632,657 12.327,658 1.005,659 1.107,660 3.374,661 11.384,662 0.688,663 3.045,664 3.332,665 3.555,666 3.689,667 3.85,668 3.784,669 3.85,670 3.761,671 3.611,672 3.497,673 4.821,674 0.662,675 254.3,676 3.045,677 4.554,678 5.38,679 6.229,680 7.074,681 7.928,682 8.78,683 9.637,684 10.491,685 11.349,701 9,706 3,708 12,713 1,724 33,726 14,727 2,728 20,730 34,731 16,732 12,733 3,734 9,735 1,737 2,738 2,743 1,751 14,752 2,753 1,754 2,758 2,761 2,764 1,767 14,768 3,769 1,770 3,777 1,778 3,789 2,800 1,808 1,810 2,815 1,819 19,826 1,831 1,839 9.1,841 1,842 2,846 10.5,847 6.117,848 4.278,849 1.925,850 2.281,851 1.375,852 0.924,853 3.885,854 8.37,855 3.367,856 3.912,857 4.443,858 4.929,859 5.43,860 5.483,861 5.839,862 5.968,863 6.124,864 6.326,865 1,866 28,867 7.031,869 2.985,870 0.006,871 8.114,872 12.974,874 10.342,876 2.614,877 49.667,881 153.024,882 109.712,885 92.973,888 109.712,889 245.998,891 8.825,893 85.286,894 99.017,895 9.557,897 153.024,899 153.024,900 109.712,901 92.973,904 153.024,905 92.973,908 8.825,909 100.886,912 153.024,913 92.973,914 109.712,917 153.024,918 15.6,919 94.111,921 92.973,922 153.024,923 92.973,924 109.712,926 0.578,927 0.34,928 0.164,929 0.085,930 12,931 6,932 0.118,933 4,935 1,936 3.061,937 132.478,939 12,940 76.711,944 13.191,945 5.596,946 2.955,948 92.973,949 15.728,954 1.744,956 42.683,957 355.709,958 28,962 23.209,965 -0.996,967 33.167,968 36.535,969 0.267,970 0.585,971 0.711,972 0.854,973 0.907,974 0.923,975 4.564,976 0.689,977 5.361,978 2.136,979 4.007,980 4.595,981 2.35,982 6.142,983 4.02,984 5.764,985 0.597,986 6.917,987 1.686,988 3.611,989 4.27,990 2.243,991 7.029,992 3.637,993 7.053,994 -0.663,995 8.579,996 1.363,997 5.572,998 6.709,999 3.742,1000 10.106,1001 5.602,1002 8.378,1003 -0.756,1004 10.301,1005 -1.548,1006 5.994,1007 7.162,1008 4.213,1009 11.793,1010 6.044,1011 9.733,1012 -0.846,1013 12.062,1014 -1.64,1015 7.441,1016 9.089,1017 5.351,1018 14.385,1019 7.492,1020 11.11,1021 -1,1022 13.846,1023 -2,1024 8.223,1025 9.918,1026 6.05,1027 16.387,1028 8.295,1029 12.503,1030 -1,1031 15.648,1032 -2.347,1033 9.462,1034 11.602,1035 7.042,1036 18.795,1037 9.538,1038 3.032,1039 -1.394,1040 17.461,1041 -2.35,1042 10.409,1043 12.643,1044 7.838,1045 20.937,1046 10.505,1047 2.823,1048 9.84,1049 19.282,1050 -3.796,1051 11.56,1052 14.193,1053 8.766,1054 23.268,1055 11.663,1056 2.258,1057 9.057,1058 21.11,1059 3.955,1060 12.584,1061 15.358,1062 9.604,1063 25.475,1064 12.704,1065 1.845,1066 6.45,1067 22.942,1068 3.546,1069 13.699,1070 16.831,1071 10.503,1072 27.771,1073 13.828,1074 1.464,1075 4.901,1076 24.778,1077 3.038,1078 14.759,1079 18.074,1080 11.361,1081 30.01,1082 14.904,1083 1.197,1084 3.283,1085 26.617,1086 2.556,1087 15.859,1088 19.501,1089 12.247,1090 32.292,1091 16.015,1092 1,1093 2.642,1094 28.458,1095 2.086,1096 16.936,1097 20.791,1098 13.113,1099 34.547,1100 17.107,1101 3032,1102 5459,1103 12.83,1104 22.693,1105 30.392,1106 31.487,1107 31.047,1108 29.853,1109 29.809,1110 40.469,1111 5.279,1112 82.714,1113 30.007,1114 5.145,1115 5.79,1116 6.237,1117 5.045,1118 5.032,1119 6.955,1120 4.03,1121 16.72,1122 5.071,1123 10.249,1124 1.52,1125 1.574,1126 1.552,1127 1.493,1128 1.49,1129 2.023,1130 0.264,1131 4.136,1132 1.5,1133 4.008,1134 4.026,1135 3.957,1136 3.949,1137 7.474,1138 3.948,1139 3.846,1140 3.874,1141 3.775,1142 3.787,1143 7.427,1144 3.78,1145 3.547,1146 3.572,1147 3.467,1148 3.384,1149 6.351,1150 3.393,1151 3.184,1152 3.195,1153 3.124,1154 3.031,1155 4.749,1156 3.045,1157 2.999,1158 3.039,1159 2.824,1160 2.735,1161 4.668,1162 2.715,1163 2.854,1164 2.925,1165 2.687,1166 2.647,1167 3.952,1168 2.687,1169 2.771,1170 2.84,1171 2.591,1172 2.631,1173 3.674,1174 2.619,1175 2.677,1176 2.741,1177 2.517,1178 2.564,1179 3.664,1180 2.546,1181 0.218,1182 0.19,1183 0.322,1184 0.202,1185 0.152,1186 4.368,1187 0.198,1188 3.79,1189 0.12,1190 6.435,1191 0.492,1192 4.045,1193 0.154,1194 3.032,1195 3.955,1196 2.397,1197 9.84,1198 3.071,1199 1.979,1200 1.961,1201 2.077,1202 2.056,1203 1.227,1204 2.062,1205 1.854,1206 1.827,1207 1.984,1208 1.94,1209 1.07,1210 1.955,1211 1.499,1212 1.464,1213 1.728,1214 1.692,1215 0.844,1216 1.697,1217 1.123,1218 1.102,1219 1.277,1220 1.304,1221 0.329,1222 1.288,1223 0.886,1224 0.821,1225 1.181,1226 1.268,1227 0.234,1228 1.229,1229 0.863,1230 0.814,1231 1.178,1232 1.062,1233 0.218,1234 1.107,1235 0.783,1236 0.731,1237 1.036,1238 0.979,1239 0.1,1240 1.013,1241 0.695,1242 0.642,1243 0.957,1244 0.874,1246 0.914,1247 3.714,1249 5.004,1251 6.5,1253 8.077,1255 9.695,1257 1.606,1262 8.997,1267 -0.622,1272 21.832,1273 44.407,1274 97.406,1275 118.426,1276 142.2,1277 150.955,1278 153.71,1279 41.579,1280 6.089,1281 54.37,1282 54.37,1283 12,1284 11.901,1285 3.907,1286 3.17,1287 33.563,1288 54,1289 49,1290 0.311,1291 138.031,1292 244.09,1293 328.555,1294 2784,1296 13.828,1297 0.728,1298 0.555,1299 13.828,1300 10.537,1301 9.092,1302 0.455,1303 0.301,1304 5.976,1305 8.887,1306 5.796,1307 4.846,1308 9.092,1309 6.019,1310 8.047,1311 0.298,1312 0.162,1313 8.047,1314 4.381,1315 6.687,1316 0.197,1317 0.09,1318 6.687,1319 3.055,1320 4.811,1321 0.123,1322 0.047,1323 4.811,1324 1.848,1325 3.715,1326 0.081,1327 0.026,1328 3.715,1329 1.206,1330 0.474,1331 56.285,1332 0.279,1333 18.869,1334 0.892,1335 94,1336 299.621,1337 100.532,1338 291.282,1339 381.35,1340 268,1341 108,1342 263.303,1343 113.648,1344 269.421,1345 387.97,1346 253,1347 5.32}
{0 CHEMBL596595,1 1.648,2 7.783,3 3.754,4 14.093,5 91.538,6 8.221,7 0.48,8 3.793,9 3.915,10 3.452,11 3.339,12 4.925,13 3.321,14 4.301,15 4.487,16 3.823,17 3.701,18 5.385,19 3.674,20 4.514,21 4.695,22 3.986,23 3.853,24 5.671,25 3.803,26 4.613,27 4.827,28 3.948,29 3.832,30 5.749,31 3.78,32 4.609,33 4.809,34 3.956,35 3.833,36 5.826,37 3.799,38 4.54,39 4.733,40 3.882,41 3.877,42 5.653,43 3.8,44 4.598,45 4.822,46 3.759,47 3.897,48 5.657,49 3.76,50 4.565,51 4.817,52 3.296,53 3.745,54 5.517,55 3.511,56 0.043,57 0.61,58 7.035,59 3.297,60 5.129,61 4.302,62 0.247,63 0.96,64 14.651,65 5.057,66 13.038,67 6.821,68 0.337,69 1.124,70 19.77,71 6.81,72 26.648,73 9.103,74 0.344,75 1.164,76 24.777,77 7.251,78 39.97,79 9.589,80 0.588,81 1.141,82 26.802,83 6.548,84 63.132,85 8.069,86 0.274,87 1.105,88 20.186,89 7.278,90 29.055,91 9.682,92 0.238,93 1.084,94 23.202,95 8.842,96 36.348,97 11.769,98 0.312,99 0.914,100 31.857,101 9.753,102 45.893,103 12.976,104 18,105 35,106 0.292,107 0.566,108 0.658,109 0.754,110 0.809,111 0.821,112 3.19,113 0.912,114 -4.99,115 -4.89,116 -4.59,118 42.5,123 2,125 1,137 9,139 3,150 2,157 1,162 7,165 3,166 3,174 7,178 5,179 7,187 5,191 1,192 8,200 1,204 13,217 13,225 2,231 5,239 8,245 1,253 9,267 5,272 675,273 15.397,274 15.397,275 15.397,276 15.397,277 15.397,278 13.616,279 18.974,280 9.11,281 15.778,282 12.318,283 12.318,284 12.318,285 12.318,286 12.318,287 9.642,288 27.273,289 4.299,290 12.998,291 3.674,292 2.126,293 1.61,294 1.066,295 0.757,296 0.688,297 3.867,298 1,299 1,300 1,301 1,302 379,303 2.55,307 215.894,314 1.047,315 18.822,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 49.333,327 179,328 4.464,329 3.843,330 6.804,331 4.166,332 3.221,333 3.921,334 1.219,335 11.144,336 3.036,337 4.139,338 3.18,339 6.229,340 3.744,341 2.804,342 3.642,343 0.954,344 9.183,345 2.637,346 3.966,347 3.01,348 6.064,349 3.615,350 2.664,351 3.42,352 0.557,353 8.637,354 2.509,355 3.341,356 2.752,357 5.314,358 3.026,359 2.111,360 2.471,361 0.21,362 6.155,363 1.916,364 3.151,365 2.231,366 4.5,367 2.781,368 1.796,369 2.329,370 0.2,371 4.533,372 1.765,373 2.868,374 1.899,375 4.309,376 2.413,377 1.431,378 2.022,380 3.664,381 1.399,382 2.791,383 1.591,384 3.825,385 2.34,386 1.414,387 1.847,389 3.019,390 1.236,391 2.562,392 1.462,393 3.585,394 2.138,395 1.149,396 1.543,398 2.716,399 1.133,400 2.5,401 1.211,402 3.53,403 2,404 1,405 1.5,407 2.574,408 1,409 2.32,410 1,411 3.247,412 1.948,413 1,414 1.233,416 2.136,417 0.945,418 1.673,419 0.875,420 2.94,421 1.142,422 0.156,423 0.216,425 0.378,426 0.144,427 1.031,428 0.351,429 2.65,430 0.614,431 -0.245,432 -0.29,434 -0.571,435 -0.178,436 0.697,437 -0.342,438 2.357,439 0.284,440 -0.66,441 -0.728,443 -1.61,444 -0.574,445 0.619,446 -0.382,447 2,448 0.243,449 -0.712,450 -0.933,452 -1.812,453 -0.697,454 0.5,455 -0.6,456 1.94,457 0.033,458 -0.947,459 -1,461 -2,462 -0.9,463 11.148,464 0.485,465 0.597,466 0.026,467 31.25,468 1.359,469 16,470 0.696,471 15.25,472 0.663,473 16.91,474 0.735,475 24.252,476 0.606,477 23.312,478 1.014,479 6.509,480 0.283,481 4.566,482 0.199,483 0.184,485 0.332,490 0.643,491 1.451,492 0.598,493 1.04,494 0.555,495 0.939,496 0.886,497 0.997,498 0.678,499 0.717,500 0.603,501 0.738,502 0.779,503 1.206,504 0.872,505 1.082,506 0.826,507 1.031,508 1.362,509 1.197,510 0.998,511 0.948,512 1.339,513 0.907,514 1.934,515 0.837,516 1.241,517 0.78,518 1.962,519 0.818,520 0.939,521 1.103,522 0.843,523 1.059,524 0.933,525 1.064,526 0.908,527 0.941,528 0.915,529 1.009,530 0.987,531 1.085,532 1.012,533 0.905,534 1.703,535 1.399,536 1.048,537 1.376,538 4,540 2.889,541 1.688,542 1.338,543 1.236,544 0.733,545 0.248,546 0.155,547 0.038,548 4811,549 13911,550 2.041,551 42.5,553 15,554 2,561 1.667,562 1.89,563 2.953,564 -0.729,566 1,568 1,570 65.903,571 1.648,572 3.195,573 3.712,574 4.256,575 4.565,576 4.634,577 2.366,578 4.176,579 4.496,580 3.062,581 774.628,582 7.794,583 8635.95,584 1,585 1,586 1,587 1,588 212.877,589 1.478,590 4.443,591 0.16,593 0.083,594 0.044,595 0.037,596 0.034,597 0.022,598 0.009,599 0.01,600 0.008,601 0.407,602 0.5,603 1,604 0.832,605 104.624,606 0.053,607 -0.268,608 0.04,609 -0.125,610 -0.05,611 -0.056,612 0.034,613 0.162,614 0.082,615 0.165,616 0.017,617 0.138,618 0.233,619 -0.117,620 0.017,621 -0.158,622 0.076,623 -0.128,624 -0.121,625 -0.166,626 -0.005,627 -0.027,628 -0.058,629 0.003,630 -0.323,631 0.229,632 -0.162,633 0.124,634 -0.163,635 0.043,636 -0.022,637 -0.068,638 -0.03,639 -0.112,640 0.033,641 -0.124,642 -0.084,643 -0.01,644 -0.012,645 -0.001,646 -0.036,647 -0.073,648 -0.132,649 -0.104,650 -0.339,651 -0.285,652 -0.158,653 -0.281,654 1.838,655 5.765,656 0.783,657 16.072,658 1.006,659 1.126,660 3.759,661 14.132,662 0.692,663 3.258,664 3.584,665 3.871,666 4.127,667 4.382,668 4.431,669 4.564,670 4.595,671 4.575,672 4.466,673 4.888,674 0.658,675 328.83,676 3.258,677 4.796,678 5.652,679 6.535,680 7.415,681 8.306,682 9.196,683 10.091,684 10.984,685 11.882,686 10,689 1,692 1,693 1,695 1,701 9,706 3,708 12,723 1,724 40,726 14,727 2,728 25,730 42,731 17,732 12,733 3,734 9,735 2,737 3,738 3,739 1,751 14,752 3,754 2,758 1,760 1,761 2,764 1,767 17,768 5,770 6,771 1,773 4,775 1,777 1,778 1,789 3,799 1,806 1,810 3,815 2,816 1,819 23,827 1,832 3,838 1,839 2.5,842 1,846 12.167,847 7.86,848 5.083,849 2.203,850 2.312,851 1.339,852 0.978,853 4.55,854 9.136,855 3.526,856 4.078,857 4.62,858 5.094,859 5.58,860 5.661,861 6.005,862 6.337,863 6.612,864 6.83,865 1,866 38,867 8.474,869 3.543,870 0.006,871 7.758,872 16.037,874 12.767,876 2.258,877 51.944,880 1,881 200.109,882 119.803,883 25.913,884 39.149,885 25.145,888 119.803,889 264.402,890 25.913,891 16.793,892 4.801,893 85.286,894 32.177,895 31.803,896 23.542,897 176.567,898 39.149,899 200.109,900 145.716,901 25.145,902 39.149,904 200.109,905 25.145,908 24.589,909 121.127,910 39.149,912 200.109,913 51.058,914 158.951,917 200.109,918 17.724,919 111.329,921 80.957,922 200.109,923 51.058,924 158.951,926 0.582,927 0.347,928 0.19,929 0.107,930 17,931 8,932 0.071,933 3,935 1,936 3.364,937 189.17,939 18,940 98.042,944 15.841,945 6.605,946 3.185,948 51.058,949 17.057,954 2.125,957 410.118,958 33,962 12.765,964 4.48,965 0.19,967 40.243,968 45.053,969 0.31,970 0.6,971 0.697,972 0.8,973 0.858,974 0.871,975 4.762,976 1.149,977 5.645,978 3.019,979 4.263,980 4.762,981 1.825,982 6.482,983 4.155,984 5.957,985 1,986 7.225,987 2.716,988 3.892,989 4.425,990 0.57,991 7.455,992 3.667,993 7.253,994 1,995 8.911,996 2.574,997 5.872,998 6.857,999 1.812,1000 10.587,1001 5.65,1002 8.585,1003 0.156,1004 10.659,1005 2.136,1006 6.33,1007 7.318,1008 0.941,1009 12.382,1010 5.993,1011 9.949,1012 -0.245,1013 12.446,1014 0.378,1015 7.795,1016 9.226,1017 1.96,1018 15.034,1019 7.452,1020 11.338,1021 -0.66,1022 14.26,1023 -0.571,1024 8.626,1025 10.071,1026 1.281,1027 17.157,1028 8.182,1029 12.745,1030 -0.712,1031 16.091,1032 -1.61,1033 9.888,1034 11.732,1035 2.181,1036 19.642,1037 9.421,1038 3.221,1039 -0.947,1040 17.935,1041 -1.812,1042 10.889,1043 12.781,1044 1.637,1045 21.91,1046 10.337,1047 2.804,1048 11.144,1049 19.789,1050 -2,1051 12.073,1052 14.309,1053 2.446,1054 24.335,1055 11.483,1056 2.664,1057 9.183,1058 21.651,1059 3.921,1060 13.153,1061 15.474,1062 2.017,1063 26.671,1064 12.488,1065 2.111,1066 8.637,1067 23.519,1068 3.642,1069 14.31,1070 16.927,1071 2.742,1072 29.077,1073 13.598,1074 1.796,1075 6.155,1076 25.392,1077 3.42,1078 15.427,1079 18.161,1080 2.413,1081 31.447,1082 14.648,1083 1.431,1084 4.533,1085 27.269,1086 2.471,1087 16.577,1088 19.571,1089 3.06,1090 33.848,1091 15.746,1092 1.414,1093 3.664,1094 29.15,1095 2.329,1096 17.714,1097 20.848,1098 2.82,1099 36.235,1100 16.819,1101 4769,1102 8233,1103 16.414,1104 27.665,1105 38.511,1106 39.075,1107 39.096,1108 37.768,1109 37.494,1110 48.289,1111 6.28,1112 108.278,1113 35.438,1114 5.402,1115 5.843,1116 6.606,1117 5.236,1118 5.221,1119 6.921,1120 2.319,1121 18.599,1122 5.036,1123 11.443,1124 1.54,1125 1.563,1126 1.564,1127 1.511,1128 1.5,1129 1.932,1130 0.251,1131 4.331,1132 1.418,1133 3.994,1134 4.036,1135 4.036,1136 3.883,1137 7.428,1138 3.887,1139 3.868,1140 3.897,1141 3.859,1142 3.808,1143 4.94,1144 3.801,1145 3.699,1146 3.754,1147 3.662,1148 3.493,1149 4.804,1150 3.527,1151 3.4,1152 3.492,1153 3.3,1154 3.148,1155 4.564,1156 3.158,1157 3.008,1158 3.048,1159 3.239,1160 2.815,1161 4.341,1162 2.824,1163 2.893,1164 3.009,1165 2.942,1166 2.791,1167 4.12,1168 2.773,1169 2.874,1170 2.954,1171 2.756,1172 2.735,1173 3.763,1174 2.715,1175 2.873,1176 2.925,1177 2.687,1178 2.707,1179 3.674,1180 2.709,1181 0.179,1182 0.154,1183 0.272,1184 0.167,1185 0.129,1186 4.464,1187 0.157,1188 3.843,1189 0.049,1190 6.804,1191 0.446,1192 4.166,1193 0.121,1194 3.221,1195 3.921,1196 1.219,1197 11.144,1198 3.036,1199 1.921,1200 1.889,1201 2.023,1202 2.066,1203 1.131,1204 2.05,1205 1.867,1206 1.84,1207 1.971,1208 1.948,1209 1.054,1210 1.962,1211 1.619,1212 1.56,1213 1.809,1214 1.844,1215 0.879,1216 1.84,1217 1.349,1218 1.259,1219 1.597,1220 1.623,1221 0.757,1222 1.627,1223 0.934,1224 0.88,1225 1.417,1226 1.239,1227 0.469,1228 1.308,1229 0.924,1230 0.824,1231 1.181,1232 1.168,1233 0.218,1234 1.142,1235 0.886,1236 0.821,1237 1.136,1238 1.074,1239 0.209,1240 1.107,1241 0.87,1242 0.804,1243 1.086,1244 1.062,1245 0.163,1246 1.083,1247 3.932,1249 5.252,1251 6.786,1253 8.414,1255 10.092,1257 3.603,1258 6.278,1263 0.309,1268 5.138,1272 26.316,1273 65.903,1274 127.818,1275 148.473,1276 170.248,1277 182.612,1278 185.367,1279 35.854,1280 6.824,1281 39.15,1282 39.15,1283 18,1284 12.406,1285 3.907,1286 3.17,1287 36.389,1288 67,1289 66,1290 0.274,1291 167.747,1292 290.66,1293 401.063,1294 6913,1295 2.5,1296 16.397,1297 0.713,1298 0.597,1299 16.897,1300 13.734,1301 11.075,1302 0.443,1303 0.304,1304 7.14,1305 10.373,1306 6.868,1307 5.758,1308 11.364,1309 7.604,1310 9.986,1311 0.285,1312 0.165,1313 10.357,1314 5.786,1315 8.401,1316 0.179,1317 0.082,1318 8.76,1319 3.868,1320 6.958,1321 0.114,1322 0.043,1323 7.267,1324 2.622,1325 5.689,1326 0.072,1327 0.023,1328 5.947,1329 1.778,1330 0.408,1331 72.47,1332 0.247,1333 21.906,1334 0.823,1335 120,1336 356.519,1337 146.809,1338 378.072,1339 509.78,1340 352,1341 142,1342 359.299,1343 168.184,1344 375.187,1345 548.56,1346 350,1347 5.099}
{0 CHEMBL596596,1 1.735,2 8.542,3 4.419,4 19.523,5 96.343,6 9.082,7 0.462,8 3.8,9 3.914,10 3.539,11 3.369,12 4.951,13 3.35,14 4.31,15 4.486,16 3.941,17 3.743,18 5.432,19 3.715,20 4.528,21 4.693,22 4.095,23 3.902,24 5.729,25 3.849,26 4.623,27 4.825,28 4.011,29 3.865,30 5.783,31 3.809,32 4.613,33 4.809,34 4.018,35 3.845,36 5.84,37 3.813,38 4.547,39 4.731,40 4.003,41 3.905,42 5.694,43 3.832,44 4.611,45 4.82,46 3.904,47 3.937,48 5.711,49 3.803,50 4.576,51 4.815,52 3.586,53 3.797,54 5.563,55 3.576,56 0.07,57 0.599,58 5.675,59 3.207,60 5.123,61 3.991,62 0.29,63 0.947,64 13.526,65 5.124,66 13.541,67 6.447,68 0.409,69 1.103,70 20.047,71 7.009,72 29.476,73 8.726,74 0.455,75 1.153,76 25.699,77 7.643,78 44.366,79 9.316,80 0.684,81 1.137,82 25.756,83 6.771,84 65.31,85 7.59,86 0.361,87 1.09,88 18.841,89 7.33,90 32.079,91 9.279,92 0.369,93 1.062,94 24.701,95 9.048,96 39.579,97 11.528,98 0.423,99 0.897,100 33.762,101 10.031,102 47.307,103 12.999,104 27,105 37,106 0.307,107 0.589,108 0.69,109 0.776,110 0.809,111 0.821,112 3.23,113 0.932,114 -5.49,115 -5.37,116 -5.01,118 42.5,123 2,125 1,137 8,139 4,150 2,157 1,162 5,165 3,166 3,174 7,178 5,179 7,187 7,191 1,192 7,200 1,204 13,217 13,225 2,231 5,239 8,245 1,253 8,259 1,267 3,272 752,273 15.845,274 15.845,275 15.845,276 15.845,277 15.845,278 14.039,279 20.575,280 9.196,281 16.362,282 12.784,283 12.784,284 12.784,285 12.784,286 12.784,287 10.046,288 27.914,289 4.336,290 13.74,291 3.587,292 2,293 1.425,294 0.944,295 0.757,296 0.688,297 3.905,298 2,300 1,301 1,302 432,303 2.646,307 228.791,314 1.163,315 22.553,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 51.667,327 205,328 4.465,329 3.843,330 6.804,331 4.166,332 3.222,333 3.923,334 1.219,335 11.144,336 3.037,337 4.153,338 3.18,339 6.23,340 3.758,341 2.817,342 3.704,343 0.954,344 9.19,345 2.647,346 4.024,347 3.061,348 6.069,349 3.631,350 2.688,351 3.5,352 0.557,353 8.653,354 2.513,355 3.559,356 2.84,357 5.314,358 3.162,359 2.275,360 2.831,361 0.21,362 6.191,363 1.966,364 3.341,365 2.738,366 5.041,367 3.012,368 2.095,369 2.47,370 0.2,371 6.041,372 1.897,373 2.868,374 2.203,375 4.389,376 2.415,377 1.431,378 2.022,380 4.047,381 1.401,382 2.805,383 1.74,384 4.281,385 2.366,386 1.414,387 1.854,389 3.66,390 1.302,391 2.71,392 1.589,393 3.824,394 2.338,395 1.414,396 1.731,398 3.018,399 1.234,400 2.5,401 1.322,402 3.585,403 2,404 1,405 1.5,407 2.575,408 1,409 2.326,410 1,411 3.414,412 1.948,413 1,414 1.235,416 2.275,417 0.945,418 1.712,419 0.973,420 2.998,421 1.173,422 0.199,423 0.276,425 0.482,426 0.18,427 1.105,428 0.411,429 2.678,430 0.669,431 -0.161,432 -0.191,434 -0.361,435 -0.109,436 0.971,437 0.316,438 2.408,439 0.528,440 -0.351,441 -0.428,443 -0.803,444 -0.253,445 0.625,446 -0.366,447 2,448 0.25,449 -0.66,450 -0.735,452 -1.8,453 -0.577,454 0.5,455 -0.456,456 2,457 0.042,458 -0.927,459 -1,461 -2,462 -0.846,463 11.862,464 0.494,465 0.703,466 0.029,467 32,468 1.333,469 16,470 0.667,471 16,472 0.667,473 18.906,474 0.788,475 25.338,476 0.633,477 24.204,478 1.008,479 6.582,480 0.274,481 4.887,482 0.204,483 0.233,485 0.354,490 0.624,491 1.45,492 0.526,493 0.95,494 0.549,495 0.885,496 0.845,497 0.986,498 0.602,499 0.634,500 0.578,501 0.675,502 0.855,503 1.205,504 0.926,505 1.077,506 0.857,507 1.041,508 1.296,509 1.206,510 0.965,511 0.963,512 1.309,513 0.939,514 1.62,515 0.853,516 0.963,517 0.759,518 1.786,519 0.81,520 0.812,521 1.113,522 0.695,523 1.007,524 0.853,525 1.032,526 0.888,527 0.952,528 0.917,529 1.036,530 1.001,531 1.11,532 0.907,533 0.905,534 1.375,535 1.314,536 1.018,537 1.322,538 5,539 0.025,540 3.333,541 1.75,542 1.529,543 1.347,544 0.811,545 0.312,546 0.291,547 0.098,548 5424,549 18482,550 2.015,551 40,553 14,554 2,561 1.678,562 1.846,563 3.05,564 -0.699,566 1,570 69.39,571 1.735,572 3.322,573 3.896,574 4.378,575 4.565,576 4.634,577 2.449,578 3.741,579 4.556,580 3.17,581 875.013,582 7.91,583 9998.11,585 1,587 1,588 212.877,589 1.528,590 4.493,591 0.192,592 0.006,593 0.09,594 0.044,595 0.041,596 0.036,597 0.023,598 0.01,599 0.016,600 0.01,601 0.469,602 0.5,603 0.88,604 0.854,605 111.289,606 0.024,607 -0.267,608 0.022,609 -0.112,610 -0.058,611 -0.054,613 0.179,614 0.084,615 0.212,616 0.034,617 0.178,618 0.119,619 -0.116,620 -0.066,621 -0.177,622 0.036,623 -0.161,624 -0.173,625 -0.168,626 -0.076,627 -0.054,628 -0.105,629 -0.032,630 -0.264,631 0.227,632 -0.117,633 0.115,634 -0.168,635 0.044,636 0.03,637 -0.073,638 0.018,639 -0.098,640 0.06,641 -0.107,642 -0.054,643 -0.021,644 -0.032,645 -0.042,646 -0.065,647 -0.098,648 -0.04,649 -0.102,650 -0.173,651 -0.213,652 -0.148,653 -0.209,654 1.863,655 5.798,656 0.75,657 17.778,658 1.014,659 1.125,660 4.26,661 18.144,662 0.713,663 3.296,664 3.638,665 3.912,666 4.159,667 4.431,668 4.5,669 4.605,670 4.673,671 4.727,672 4.615,673 5.143,674 0.679,675 363.27,676 3.296,677 4.844,678 5.7,679 6.586,680 7.466,681 8.358,682 9.246,683 10.142,684 11.035,685 11.933,686 10,689 1,692 1,693 1,695 1,701 8,706 4,708 12,723 2,724 40,726 14,727 2,728 26,730 42,731 17,732 12,733 4,734 8,735 2,737 3,738 3,739 2,751 14,752 3,754 2,758 1,760 1,761 2,764 1,767 16,768 5,770 7,771 2,773 4,775 1,777 1,778 1,789 3,799 1,806 1,810 3,815 2,816 2,819 24,827 1,832 3,838 2,839 2.5,842 1,846 13,847 7.919,848 5.25,849 2.184,850 2.334,851 1.337,852 0.977,853 4.99,854 9.263,855 3.555,856 4.127,857 4.663,858 5.134,859 5.641,860 5.756,861 6.054,862 6.406,863 6.747,864 6.92,865 0.833,866 40,867 8.831,869 3.711,870 0.006,871 7.822,872 16.598,874 13.244,876 2.322,877 55.722,880 1,881 188.338,882 113.827,883 25.913,884 78.297,885 25.145,888 113.827,889 291.78,890 25.913,891 16.793,892 4.801,893 75.81,894 32.177,895 35.304,896 23.542,897 164.795,898 78.297,899 188.338,900 139.74,901 25.145,902 78.297,904 188.338,905 25.145,908 24.589,909 115.152,910 78.297,912 188.338,913 51.058,914 192.124,917 188.338,918 21.224,919 101.853,921 120.105,922 188.338,923 51.058,924 192.124,926 0.59,927 0.347,928 0.183,929 0.106,930 18,931 9,932 0.071,933 3,935 1,936 3.429,937 200.515,939 18,940 104.039,944 17.082,945 7.011,946 3.534,948 51.058,949 14.562,954 2.647,957 431.52,958 34,962 12.798,964 4.466,965 0.134,967 40.567,968 44.997,969 0.326,970 0.624,971 0.732,972 0.823,973 0.858,974 0.871,975 4.804,976 1.414,977 5.707,978 3.66,979 4.317,980 4.812,981 1.825,982 6.544,983 4.18,984 6.012,985 1,986 7.291,987 3.018,988 4.007,989 4.575,990 0.57,991 7.516,992 3.727,993 7.318,994 1,995 8.976,996 2.575,997 5.938,998 6.93,999 1.812,1000 10.627,1001 5.677,1002 8.657,1003 0.199,1004 10.72,1005 2.275,1006 6.415,1007 7.454,1008 0.941,1009 12.406,1010 6.03,1011 10.025,1012 -0.161,1013 12.5,1014 0.482,1015 7.854,1016 9.312,1017 1.96,1018 15.053,1019 7.474,1020 11.415,1021 -0.351,1022 14.305,1023 -0.361,1024 8.687,1025 10.194,1026 1.281,1027 17.168,1028 8.206,1029 12.822,1030 -0.66,1031 16.129,1032 -0.803,1033 9.936,1034 11.824,1035 2.181,1036 19.65,1037 9.438,1038 3.222,1039 -0.927,1040 17.967,1041 -1.8,1042 10.933,1043 12.897,1044 1.637,1045 21.915,1046 10.354,1047 2.817,1048 11.144,1049 19.815,1050 -2,1051 12.11,1052 14.406,1053 2.446,1054 24.339,1055 11.497,1056 2.688,1057 9.19,1058 21.672,1059 3.923,1060 13.186,1061 15.586,1062 2.017,1063 26.674,1064 12.502,1065 2.275,1066 8.653,1067 23.536,1068 3.704,1069 14.338,1070 17.027,1071 2.742,1072 29.079,1073 13.61,1074 2.095,1075 6.191,1076 25.405,1077 3.5,1078 15.453,1079 18.271,1080 2.413,1081 31.448,1082 14.659,1083 1.431,1084 6.041,1085 27.28,1086 2.831,1087 16.6,1088 19.673,1089 3.06,1090 33.849,1091 15.756,1092 1.414,1093 4.047,1094 29.159,1095 2.47,1096 17.734,1097 20.956,1098 2.82,1099 36.236,1100 16.829,1101 5397,1102 10074,1103 16.819,1104 28.523,1105 40.157,1106 40.918,1107 41.285,1108 39.543,1109 39.112,1110 50.091,1111 6.28,1112 114.551,1113 36.24,1114 5.403,1115 5.843,1116 6.489,1117 5.237,1118 5.222,1119 6.923,1120 2.319,1121 18.599,1122 5.037,1123 13.432,1124 1.544,1125 1.574,1126 1.588,1127 1.521,1128 1.504,1129 1.927,1130 0.242,1131 4.406,1132 1.394,1133 3.995,1134 4.036,1135 4.05,1136 3.888,1137 7.428,1138 3.892,1139 3.872,1140 3.896,1141 3.978,1142 3.819,1143 4.965,1144 3.811,1145 3.702,1146 3.754,1147 3.727,1148 3.496,1149 4.922,1150 3.53,1151 3.401,1152 3.492,1153 3.357,1154 3.151,1155 4.65,1156 3.161,1157 3.019,1158 3.046,1159 3.297,1160 2.851,1161 4.341,1162 2.859,1163 2.893,1164 3.009,1165 3.199,1166 2.8,1167 4.288,1168 2.774,1169 2.874,1170 2.954,1171 2.781,1172 2.735,1173 4.057,1174 2.715,1175 2.874,1176 2.925,1177 2.746,1178 2.707,1179 3.762,1180 2.709,1181 0.172,1182 0.148,1183 0.262,1184 0.16,1185 0.124,1186 4.465,1187 0.151,1188 3.843,1189 0.047,1190 6.804,1191 0.429,1192 4.166,1193 0.117,1194 3.222,1195 3.923,1196 1.219,1197 11.144,1198 3.037,1199 1.919,1200 1.889,1201 2.002,1202 2.063,1203 1.131,1204 2.045,1205 1.863,1206 1.841,1207 1.954,1208 1.939,1209 1.053,1210 1.953,1211 1.618,1212 1.56,1213 1.806,1214 1.839,1215 0.878,1216 1.836,1217 1.348,1218 1.259,1219 1.588,1220 1.619,1221 0.754,1222 1.623,1223 0.934,1224 0.882,1225 1.417,1226 1.239,1227 0.469,1228 1.308,1229 0.912,1230 0.824,1231 1.181,1232 1.153,1233 0.218,1234 1.127,1235 0.886,1236 0.821,1237 1.129,1238 1.067,1239 0.199,1240 1.107,1241 0.87,1242 0.804,1243 1.074,1244 1.062,1245 0.143,1246 1.079,1247 3.97,1249 5.303,1251 6.841,1253 8.47,1255 10.147,1257 3.569,1258 12.235,1263 0.265,1268 5.046,1272 27.143,1273 69.39,1274 132.877,1275 155.858,1276 175.103,1277 182.612,1278 185.367,1279 40.567,1280 6.93,1281 39.15,1282 39.15,1283 18,1284 12.458,1285 3.907,1286 3.17,1287 38.861,1288 74,1289 82,1290 0.266,1291 176.08,1292 305.87,1293 421.395,1294 7896,1295 5,1296 17.267,1297 0.719,1298 0.616,1299 18.267,1300 14.791,1301 11.469,1302 0.441,1303 0.311,1304 7.27,1305 10.458,1306 6.962,1307 5.806,1308 12.047,1309 8.082,1310 10.608,1311 0.287,1312 0.172,1313 11.387,1314 6.364,1315 8.812,1316 0.18,1317 0.086,1318 9.459,1319 4.19,1320 7.109,1321 0.113,1322 0.044,1323 7.585,1324 2.761,1325 5.913,1326 0.071,1327 0.023,1328 6.385,1329 1.926,1330 0.399,1331 78.008,1332 0.244,1333 22.802,1334 0.79,1335 126,1336 390.723,1337 168.329,1338 440.165,1339 581.13,1340 408,1341 149,1342 386.162,1343 184.942,1344 411.698,1345 601.82,1346 384,1347 4.991}
{0 CHEMBL596797,1 1.609,2 7.92,3 4.215,4 17.767,5 99.078,6 8.065,7 0.429,8 3.897,9 4.018,10 3.548,11 3.464,12 4.959,13 3.441,14 4.448,15 4.624,16 3.929,17 3.862,18 5.469,19 3.818,20 4.719,21 4.941,22 4.037,23 3.977,24 5.747,25 3.902,26 4.677,27 4.891,28 4.028,29 3.915,30 5.76,31 3.865,32 4.691,33 4.884,34 4.089,35 3.928,36 5.897,37 3.908,38 4.68,39 4.873,40 4.012,41 4,42 5.781,43 3.941,44 4.712,45 4.913,46 3.943,47 4.089,48 5.704,49 3.966,50 4.781,51 5.017,52 3.728,53 4.051,54 5.686,55 3.848,56 0.034,57 0.672,58 8.066,59 3.775,60 4.739,61 4.964,62 0.209,63 1.116,64 16.588,65 6.205,66 13.207,67 8.406,68 0.406,69 1.338,70 26.519,71 8.626,72 32.672,73 11.929,74 0.306,75 1.259,76 26.434,77 7.921,78 36.44,79 10.579,80 0.525,81 1.28,82 28.18,83 7.012,84 58.769,85 8.8,86 0.407,87 1.276,88 23.969,89 7.734,90 43.639,91 10.044,92 0.197,93 1.268,94 24.495,95 9.984,96 32.314,97 13.211,98 0.262,99 1.208,100 34.803,101 12.047,102 43.826,103 16.078,104 5,105 39,106 0.278,107 0.566,108 0.681,109 0.767,110 0.816,111 0.826,112 3.269,113 0.947,114 -5.45,115 -5.33,116 -4.98,118 43.2,120 2,124 2,125 1,137 9,139 3,150 2,157 1,162 8,165 3,166 5,174 7,178 5,179 7,187 5,191 1,192 10,200 1,204 19,217 13,225 2,231 5,239 14,245 1,253 19,267 9,272 833,273 17.259,274 17.259,275 17.259,276 17.259,277 17.259,278 15.478,279 22.136,280 10.33,281 17.641,282 13.838,283 13.838,284 13.838,285 13.838,286 13.838,287 11.175,288 30.808,289 4.914,290 14.539,291 3.85,292 2.188,293 1.52,294 1.025,295 0.744,296 0.682,297 3.966,298 1,300 1,301 1,302 433,303 2,306 63.509,307 231.136,314 0.982,315 20.18,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 53.333,327 198,328 4.473,329 3.85,330 6.824,331 4.179,332 3.235,333 3.923,334 1.219,335 11.242,336 3.049,337 4.149,338 3.201,339 6.294,340 3.758,341 2.826,342 3.648,343 0.954,344 9.414,345 2.637,346 3.983,347 3.012,348 6.092,349 3.675,350 2.723,351 3.431,352 0.557,353 8.862,354 2.57,355 3.454,356 2.884,357 5.453,358 3.204,359 2.258,360 2.56,361 0.21,362 6.657,363 2.12,364 3.161,365 2.246,366 4.68,367 2.781,368 1.797,369 2.339,370 0.2,371 4.694,372 1.765,373 2.982,374 2.03,375 4.495,376 2.672,377 1.722,378 2.076,380 4.523,381 1.626,382 2.858,383 1.712,384 4.012,385 2.353,386 1.414,387 1.995,389 3.196,390 1.27,391 2.683,392 1.566,393 3.608,394 2.211,395 1.216,396 1.66,398 2.89,399 1.189,400 2.5,401 1.233,402 3.544,403 2.126,404 1.143,405 1.5,407 2.713,408 1.12,409 2.473,410 1.062,411 3.378,412 2,413 1,414 1.462,416 2.136,417 1,418 2,419 1,420 3.247,421 1.811,422 0.851,423 0.933,425 2.092,426 0.813,427 1.644,428 0.837,429 3,430 1.591,431 0.618,432 0.618,434 1.372,435 0.6,436 1.618,437 0.744,438 2.949,439 1.136,440 0.151,441 0.207,443 0.373,444 0.14,445 1.031,446 0.351,447 2.688,448 0.618,449 -0.243,450 -0.286,452 -0.569,453 -0.177,454 0.697,455 -0.338,456 2.385,457 0.299,458 -0.645,459 -0.711,461 -1.606,462 -0.564,463 12.148,464 0.486,465 0.521,466 0.021,467 32.75,468 1.31,469 16,470 0.64,471 16.75,472 0.67,473 20.118,474 0.805,475 26.252,476 0.597,477 23.502,478 0.94,479 6.432,480 0.257,481 5.805,482 0.232,483 0.086,485 0.305,490 0.628,491 1.384,492 0.604,493 1.014,494 0.502,495 0.924,496 0.812,497 1.185,498 0.734,499 0.921,500 0.564,501 0.922,502 0.787,503 1.046,504 0.826,505 0.948,506 0.723,507 0.931,508 1.345,509 1.221,510 0.955,511 0.93,512 1.389,513 0.866,514 1.939,515 1.014,516 1.192,517 0.858,518 1.964,519 0.832,520 1.473,521 0.908,522 0.917,523 0.839,524 1.562,525 0.914,526 0.887,527 0.972,528 0.932,529 1.046,530 0.962,531 1.115,532 0.863,533 0.944,534 1.449,535 1.296,536 0.903,537 1.299,538 3.5,540 2.889,541 1.465,542 1.338,543 1.212,544 0.646,545 0.205,546 0.163,547 0.051,548 6483,549 16751,550 2.154,551 43.2,553 13,554 2,558 4,561 1.691,562 2.055,563 2.968,564 -0.751,566 1,570 70.794,571 1.609,572 3.271,573 3.939,574 4.434,575 4.715,576 4.778,577 2.207,578 4.004,579 4.616,580 3.107,581 932.057,582 8.041,583 11088.5,585 1,587 1,588 240.215,589 1.26,590 4.592,591 0.125,593 0.074,594 0.037,595 0.033,596 0.029,597 0.016,598 0.006,599 0.007,600 0.006,601 0.332,602 0.5,603 0.88,604 0.477,605 117.098,606 0.061,607 -0.21,608 0.045,609 -0.089,610 0.005,611 -0.029,612 0.062,613 -0.036,614 0.013,615 -0.025,616 0.03,617 -0.034,618 0.217,619 -0.001,620 0.084,621 -0.02,622 0.125,623 0.004,624 -0.072,625 -0.183,626 0.049,627 -0.003,628 -0.074,629 0.049,630 -0.25,631 0.09,632 -0.116,633 0.031,634 -0.105,635 0.015,636 -0.212,637 0.167,638 -0.082,639 0.073,640 -0.106,641 -0.019,642 -0.102,643 -0.002,644 -0.066,645 -0.04,646 -0.048,647 -0.119,648 -0.08,649 -0.097,650 -0.212,651 -0.201,652 -0.104,653 -0.223,654 1.762,655 6.11,656 0.92,657 18.547,658 1.003,659 1.124,660 4.219,661 17.801,662 0.692,663 3.367,664 3.689,665 4.007,666 4.29,667 4.522,668 4.625,669 4.804,670 4.92,671 4.977,672 4.949,673 5.121,674 0.656,675 354.87,676 3.367,677 4.905,678 5.771,679 6.655,680 7.542,681 8.435,682 9.33,683 10.229,684 11.129,685 12.031,686 9.1,689 1,692 1,693 1,695 1,701 9,706 3,708 12,723 1,724 44,726 14,727 2,728 28,730 47,731 19,732 12,733 3,734 9,735 2,737 4,738 4,739 1,746 2,749 2,751 14,752 5,754 2,758 1,760 1,761 2,764 1,767 19,768 5,770 6,771 1,773 4,775 1,777 1,778 1,785 1,788 1,789 3,799 1,806 1,810 4,816 1,819 25,827 5,832 3,838 1,839 2.3,842 1,846 12.167,847 7.86,848 5.5,849 2.753,850 2.137,851 1.298,852 1.009,853 4.642,854 9.311,855 3.611,856 4.143,857 4.687,858 5.17,859 5.645,860 5.754,861 6.113,862 6.466,863 6.776,864 7.027,865 0.667,866 40,867 9.269,869 3.987,870 0.006,871 7.658,872 17.889,874 14.921,876 2.158,877 53.944,880 1,881 223.651,882 112.29,883 25.913,884 39.149,885 25.145,888 112.29,889 287.945,890 25.913,892 14.082,893 85.286,894 32.177,895 31.803,896 23.542,897 200.109,898 39.149,899 223.651,900 138.204,901 25.145,902 39.149,904 176.567,905 72.229,908 33.869,909 104.335,910 39.149,912 223.651,913 51.058,914 151.439,917 223.651,918 27.004,919 94.537,921 80.957,922 223.651,923 51.058,924 151.439,926 0.577,927 0.349,928 0.196,929 0.105,930 20,931 8,932 0.064,933 3,935 1,936 3.635,937 219.916,939 23,940 108.096,944 16.431,945 7.063,946 3.241,948 51.058,949 17.322,954 2.219,957 426.148,958 36,962 13.11,964 4.662,965 0.398,967 44.127,968 49.468,969 0.295,970 0.599,971 0.722,972 0.812,973 0.864,974 0.875,975 4.852,976 1.216,977 5.746,978 3.196,979 4.369,980 4.828,981 1.825,982 6.578,983 4.267,984 6.025,985 1.143,986 7.314,987 2.89,988 3.892,989 4.425,990 0.57,991 7.522,992 3.667,993 7.313,994 1,995 8.99,996 2.713,997 5.969,998 6.894,999 1.812,1000 10.677,1001 5.751,1002 8.638,1003 0.851,1004 10.732,1005 2.136,1006 6.382,1007 7.337,1008 0.941,1009 12.474,1010 6.044,1011 9.999,1012 0.618,1013 12.515,1014 2.092,1015 7.881,1016 9.249,1017 1.96,1018 15.132,1019 7.537,1020 11.384,1021 0.151,1022 14.327,1023 1.372,1024 8.694,1025 10.09,1026 1.281,1027 17.262,1028 8.246,1029 12.789,1030 -0.243,1031 16.158,1032 0.373,1033 9.969,1034 11.749,1035 2.181,1036 19.751,1037 9.496,1038 3.235,1039 -0.645,1040 18.003,1041 -0.569,1042 10.964,1043 12.798,1044 1.637,1045 22.027,1046 10.404,1047 2.826,1048 11.242,1049 19.858,1050 -1.606,1051 12.153,1052 14.324,1053 2.446,1054 24.456,1055 11.554,1056 2.723,1057 9.414,1058 21.721,1059 3.923,1060 13.231,1061 15.49,1062 2.017,1063 26.799,1064 12.558,1065 2.258,1066 8.862,1067 23.59,1068 3.648,1069 14.392,1070 16.942,1071 2.742,1072 29.21,1073 13.67,1074 1.797,1075 6.657,1076 25.464,1077 3.431,1078 15.509,1079 18.177,1080 2.413,1081 31.586,1082 14.72,1083 1.722,1084 4.694,1085 27.343,1086 2.56,1087 16.662,1088 19.586,1089 3.06,1090 33.993,1091 15.82,1092 1.414,1093 4.523,1094 29.226,1095 2.339,1096 17.8,1097 20.864,1098 2.82,1099 36.386,1100 16.895,1101 6147,1102 10027,1103 19.186,1104 30.426,1105 42.527,1106 43.395,1107 42.723,1108 42.2,1109 41.909,1110 52.707,1111 6.28,1112 120.325,1113 39.798,1114 5.455,1115 5.85,1116 6.626,1117 5.25,1118 5.235,1119 6.923,1120 2.319,1121 18.765,1122 5.049,1123 8.43,1124 1.519,1125 1.55,1126 1.526,1127 1.507,1128 1.497,1129 1.882,1130 0.224,1131 4.297,1132 1.421,1133 4.007,1134 4.053,1135 4.039,1136 3.887,1137 7.428,1138 3.893,1139 3.868,1140 3.897,1141 3.869,1142 3.808,1143 4.94,1144 3.802,1145 3.824,1146 3.881,1147 3.734,1148 3.676,1149 4.803,1150 3.679,1151 3.572,1152 3.626,1153 3.502,1154 3.366,1155 4.556,1156 3.395,1157 3.04,1158 3.096,1159 3.289,1160 2.84,1161 4.341,1162 2.855,1163 2.965,1164 3.031,1165 2.951,1166 2.814,1167 4.193,1168 2.805,1169 2.878,1170 2.979,1171 2.871,1172 2.767,1173 3.781,1174 2.759,1175 2.869,1176 2.925,1177 2.687,1178 2.735,1179 3.674,1180 2.715,1181 0.16,1182 0.137,1183 0.244,1184 0.149,1185 0.116,1186 4.473,1187 0.14,1188 3.85,1189 0.044,1190 6.824,1191 0.402,1192 4.179,1193 0.109,1194 3.235,1195 3.923,1196 1.219,1197 11.242,1198 3.049,1199 1.92,1200 1.889,1201 2.023,1202 2.064,1203 1.211,1204 2.047,1205 1.867,1206 1.84,1207 1.97,1208 1.948,1209 1.134,1210 1.962,1211 1.604,1212 1.551,1213 1.86,1214 1.818,1215 1.054,1216 1.804,1217 1.577,1218 1.507,1219 1.742,1220 1.751,1221 0.989,1222 1.793,1223 1.326,1224 1.244,1225 1.571,1226 1.583,1227 0.776,1228 1.588,1229 0.924,1230 0.88,1231 1.181,1232 1.166,1233 0.218,1234 1.14,1235 0.886,1236 0.824,1237 1.136,1238 1.07,1239 0.21,1240 1.107,1241 0.87,1242 0.821,1243 1.086,1244 1.062,1245 0.163,1246 1.082,1247 4.043,1249 5.361,1250 2.398,1251 6.889,1252 4.443,1253 8.512,1254 6.293,1255 10.187,1258 6.358,1263 4.241,1268 5.635,1272 28.842,1273 70.794,1274 143.937,1275 173.321,1276 195.096,1277 207.46,1278 210.215,1279 36.929,1280 7.174,1281 39.15,1282 39.15,1283 23,1284 12.552,1285 3.907,1286 3.17,1287 35.449,1288 77,1289 74,1290 0.231,1291 179.538,1292 312.9,1293 429.834,1294 10619,1295 2.3,1296 17.225,1297 0.689,1298 0.583,1299 17.725,1300 14.563,1301 12.237,1302 0.437,1303 0.316,1304 8.387,1305 11.55,1306 8.21,1307 6.773,1308 12.526,1309 8.842,1310 10.787,1311 0.277,1312 0.169,1313 11.157,1314 6.586,1315 9.55,1316 0.177,1317 0.09,1318 9.909,1319 4.85,1320 8.086,1321 0.112,1322 0.048,1323 8.395,1324 3.468,1325 6.412,1326 0.07,1327 0.023,1328 6.67,1329 2.113,1330 0.344,1331 79.271,1332 0.228,1333 23.564,1334 0.693,1335 134,1336 370.519,1337 161.475,1338 390.836,1339 533.66,1340 366,1341 160,1342 382.003,1343 186.85,1344 394.021,1345 582.88,1346 372,1347 5.609}
{0 CHEMBL6,1 1.633,2 9.12,3 4.211,4 17.728,5 94.3,6 8.727,7 0.593,8 3.823,9 3.905,10 3.511,11 3.41,12 5.057,13 3.404,14 4.317,15 4.442,16 3.911,17 3.79,18 5.608,19 3.771,20 4.516,21 4.643,22 3.997,23 3.94,24 5.758,25 3.911,26 4.631,27 4.78,28 3.98,29 3.978,30 5.859,31 3.935,32 4.704,33 4.88,34 3.991,35 3.958,36 5.976,37 3.918,38 4.707,39 4.873,40 3.925,41 3.911,42 6.005,43 3.859,44 4.607,45 4.797,46 3.783,47 3.78,48 6.021,49 3.691,50 4.446,51 4.676,52 3.596,53 3.577,54 5.619,55 3.454,56 0.097,57 0.516,58 6.165,59 3.714,60 11.249,61 4.102,62 0.349,63 0.832,64 13.068,65 6.173,66 43.07,67 7.179,68 0.392,69 1.004,70 18.029,71 7.415,72 46.358,73 8.04,74 0.366,75 1.139,76 19.857,77 8.443,78 39.223,79 9.711,80 0.548,81 1.182,82 22.251,83 9.368,84 62.855,85 11.176,86 0.667,87 1.133,88 23.836,89 9.359,90 95.541,91 10.334,92 0.839,93 1.026,94 22.337,95 8.752,96 107.566,97 10.777,98 0.366,99 0.848,100 21.896,101 8.151,102 44.995,103 10.297,104 42,105 39,106 0.285,107 0.657,108 0.786,109 0.852,110 0.852,111 0.852,112 3.268,113 0.889,114 -4.55,115 -4.47,116 -4.21,118 46.3,119 1,120 1,123 1,137 7,138 3,139 2,146 2,150 2,158 1,161 1,162 8,163 1,165 1,166 9,169 1,171 1,174 11,175 1,179 10,184 1,187 10,188 1,192 10,193 1,197 1,200 9,201 2,203 2,204 6,207 1,209 2,212 13,213 1,217 4,218 2,222 1,225 14,226 2,230 3,231 3,234 2,236 2,239 6,240 2,245 4,250 2,253 4,254 2,259 4,264 2,267 3,272 898,273 16.508,274 16.508,275 16.508,276 16.508,277 16.508,278 14.293,279 16.444,280 9.49,281 16.907,282 13.217,283 13.217,284 13.217,285 13.217,286 13.217,287 9.758,288 16.945,289 4.413,290 13.811,291 3.725,292 1.593,293 0.858,294 0.476,295 0.476,296 0.476,297 3.942,298 1,300 1,301 1,302 476,303 3.464,306 53.099,307 139.867,310 99.336,314 1.344,315 33.988,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 54.833,327 228,328 4.804,329 3.777,330 7.137,331 4.363,332 3.393,333 4.762,334 2.397,335 12.41,336 3.289,337 4.186,338 3.626,339 6.275,340 3.8,341 2.803,342 3.779,343 0.98,344 9.265,345 2.794,346 3.847,347 3.194,348 5.67,349 3.431,350 2.474,351 3.348,352 0.86,353 7.367,354 2.374,355 3.731,356 2.906,357 5.555,358 3.313,359 2.369,360 3.109,361 0.242,362 7.07,363 2.218,364 3.516,365 2.773,366 5.171,367 3.091,368 2.144,369 2.799,371 6.111,372 1.97,373 3.299,374 2.191,375 4.987,376 2.862,377 1.887,378 2.53,380 5.715,381 1.825,382 3.213,383 2.053,384 4.591,385 2.762,386 1.807,387 2.476,389 4.814,390 1.681,391 2.682,392 1.923,393 4.13,394 2.17,395 1.169,396 1.683,398 3.104,399 1.143,400 2.5,401 1.161,402 3.604,403 2,404 1,405 1.5,407 2.275,408 1,409 2.253,410 1.118,411 3.414,412 1.779,413 0.778,414 1.08,416 1.97,417 0.765,418 1.675,419 1,420 3.055,421 1.399,422 0.515,423 0.575,425 0.875,426 0.449,427 1.278,428 0.751,429 2.782,430 0.986,431 0.026,432 0.031,434 0.056,435 0.024,436 1.114,437 0.49,438 2.551,439 0.604,440 -0.272,441 -0.353,443 -0.582,444 -0.193,445 0.841,446 0.414,447 2.212,448 0.433,449 -0.576,450 -0.736,452 -1.453,453 -0.566,454 0.675,455 -0.111,456 2.185,457 0.237,458 -0.73,459 -0.923,461 -1.862,462 -0.685,463 11.948,464 0.478,465 0.754,466 0.03,467 33.25,468 1.33,469 17.5,470 0.7,471 15.75,472 0.63,473 19.773,474 0.791,475 26.452,476 0.645,477 26.306,478 1.052,479 6.899,480 0.276,481 5.019,482 0.201,483 0.227,485 0.41,490 0.729,491 1.165,492 0.591,493 0.927,494 0.658,495 0.848,496 0.677,497 1.015,498 0.606,499 0.784,500 0.477,501 0.762,502 1.099,503 1.051,504 1.02,505 0.941,506 0.983,507 0.945,508 0.92,509 1.209,510 0.945,511 1.145,512 0.902,513 1.12,514 0.867,515 0.989,516 0.651,517 0.941,518 1.133,519 0.942,520 1.183,521 1.041,522 0.871,523 1.052,524 1.372,525 1.095,526 0.631,527 0.958,528 0.779,529 0.963,530 0.584,531 1.061,532 0.83,533 1.064,534 0.857,535 1.027,536 0.804,537 1.025,538 5.5,539 0.107,540 3.111,541 2.674,542 2.046,543 1.431,544 0.736,545 0.478,546 0.269,547 0.096,548 5956,549 21559,550 1.992,551 39,553 10,556 1,557 5,561 1.688,562 1.807,563 3.137,564 -0.317,566 1,570 66.949,571 1.633,572 3.765,573 4.5,574 4.882,575 4.882,576 4.882,577 2.649,578 4.324,579 4.609,580 3.266,581 979.934,582 8.02,583 11420.4,585 1,587 1,588 219.66,589 1.554,590 4.541,591 0.204,592 0.015,593 0.08,594 0.064,595 0.05,596 0.035,597 0.021,598 0.016,599 0.013,600 0.007,601 0.505,602 0.17,603 1,604 1.157,605 117.786,606 -0.063,607 -0.091,608 0.008,609 -0.008,610 -0.087,611 0.015,612 0.101,613 0.043,614 0.119,615 0.148,616 0.142,617 0.145,618 -0.212,619 0.012,620 -0.17,621 -0.006,622 -0.134,623 -0.054,624 -0.12,625 -0.155,626 -0.171,627 -0.221,628 -0.061,629 -0.202,630 0.039,631 0.013,632 0.063,633 -0.011,634 -0.056,635 0.018,636 -0.113,637 -0.076,638 -0.082,639 -0.109,640 -0.167,641 -0.147,642 0.345,644 0.058,645 -0.003,646 0.332,647 -0.065,648 0.024,649 -0.165,650 0.205,651 -0.009,652 0.058,653 0.059,654 2.621,655 5.987,656 0.6,657 20.784,658 1.02,659 1.112,660 3.318,661 11.006,662 0.702,663 3.332,664 3.689,665 3.989,666 4.304,667 4.585,668 4.7,669 4.844,670 4.905,671 4.812,672 4.771,673 5.369,674 0.681,675 357.81,676 3.332,677 4.89,678 5.759,679 6.666,680 7.566,681 8.484,682 9.398,683 10.322,684 11.244,685 12.172,686 2.4,694 1,700 2,701 7,706 5,707 1,708 16,722 1,723 1,724 41,726 18,727 2,728 27,730 43,731 19,732 14,733 5,734 7,735 1,737 3,738 4,739 1,743 1,749 1,751 16,752 3,754 2,758 2,761 2,764 1,767 16,768 4,769 1,770 6,771 1,773 1,777 0.667,778 4,784 1,788 1,789 2,792 1,800 1,808 1,810 2,815 2,816 1,819 25,826 1,827 1,829 1,838 1,839 9.8,841 1,842 2,844 1,846 13.833,847 8.126,848 5.528,849 2.277,850 3.089,851 1.433,852 0.959,853 4.839,854 10.223,855 3.638,856 4.301,857 4.943,858 5.61,859 6.204,860 6.58,861 7.016,862 7.379,863 7.531,864 7.808,865 1,866 42,867 9.247,869 3.989,870 0.006,871 8.064,872 17.051,874 13.813,876 2.564,877 64.111,880 1,881 176.567,882 116.78,883 1.899,884 39.149,885 103.973,888 116.78,889 319.688,890 1.899,891 19.708,892 2.535,893 66.334,894 98.588,895 30.587,896 4.901,897 176.567,898 39.149,899 176.567,900 118.679,901 103.973,902 39.149,904 176.567,905 103.973,908 13.259,909 105.42,910 39.149,912 176.567,913 105.872,914 155.929,917 176.567,918 30.738,919 87.941,921 143.122,922 176.567,923 105.872,924 155.929,926 0.587,927 0.345,928 0.191,929 0.119,930 19,931 10,932 0.093,933 4,934 1,935 1.133,936 3.481,937 214.034,938 0.133,939 15,940 112.096,944 17.522,945 6.904,946 3.277,947 1.344,948 103.973,949 11.866,954 2.827,955 1.538,956 42.683,957 438.367,958 37,962 24.253,965 -1.19,967 41.804,968 45.602,969 0.305,970 0.703,971 0.84,972 0.911,973 0.911,974 0.911,975 4.883,976 1.169,977 5.778,978 4.814,979 4.369,980 4.987,981 2.631,982 6.65,983 4.296,984 6.133,985 1,986 7.38,987 3.104,988 4.111,989 4.987,990 2.243,991 7.692,992 3.982,993 7.474,994 0.778,995 9.082,996 2.275,997 6.019,998 7.293,999 3.809,1000 10.845,1001 5.89,1002 8.853,1003 0.515,1004 10.844,1005 1.97,1006 6.553,1007 8.106,1008 4.213,1009 12.745,1010 6.379,1011 10.264,1012 0.026,1013 12.646,1014 0.875,1015 7.987,1016 9.936,1017 5.364,1018 15.463,1019 7.809,1020 11.7,1021 -0.272,1022 14.476,1023 0.056,1024 8.887,1025 11.141,1026 6.05,1027 17.732,1028 8.673,1029 13.157,1030 -0.576,1031 16.329,1032 -0.582,1033 10.156,1034 12.792,1035 7.044,1036 20.309,1037 9.928,1038 3.393,1039 -0.73,1040 18.2,1041 -1.453,1042 11.228,1043 14.188,1044 7.838,1045 22.729,1046 10.966,1047 2.803,1048 12.41,1049 20.087,1050 -1.862,1051 12.445,1052 15.772,1053 8.766,1054 25.261,1055 12.161,1056 2.474,1057 9.265,1058 21.987,1059 4.762,1060 13.595,1061 17.257,1062 9.604,1063 27.74,1064 13.278,1065 2.369,1066 7.367,1067 23.896,1068 3.779,1069 14.801,1070 18.82,1071 10.503,1072 30.26,1073 14.456,1074 2.144,1075 7.07,1076 25.815,1077 3.348,1078 15.986,1079 20.345,1080 11.361,1081 32.761,1082 15.607,1083 1.887,1084 6.111,1085 27.741,1086 3.109,1087 17.193,1088 21.901,1089 12.247,1090 35.278,1091 16.784,1092 1.807,1093 5.715,1094 29.674,1095 2.799,1096 18.394,1097 23.444,1098 13.113,1099 37.789,1100 17.952,1101 6000,1102 11497,1103 17.224,1104 28.773,1105 41.267,1106 42.969,1107 43.621,1108 40.895,1109 40.732,1110 55.339,1111 8.959,1112 122.066,1113 39.062,1114 5.581,1115 5.777,1116 6.683,1117 5.379,1118 5.393,1119 7.762,1120 4.03,1121 20.083,1122 5.289,1123 15.279,1124 1.528,1125 1.591,1126 1.616,1127 1.515,1128 1.509,1129 2.05,1130 0.332,1131 4.521,1132 1.447,1133 4.171,1134 4.196,1135 4.151,1136 4.082,1137 7.474,1138 4.094,1139 3.888,1140 3.906,1141 3.975,1142 3.841,1143 7.428,1144 3.833,1145 3.589,1146 3.612,1147 3.536,1148 3.446,1149 6.351,1150 3.454,1151 3.452,1152 3.469,1153 3.469,1154 3.209,1155 4.956,1156 3.246,1157 3.19,1158 3.27,1159 3.279,1160 2.979,1161 4.911,1162 2.991,1163 3.156,1164 3.178,1165 2.979,1166 2.931,1167 4.564,1168 2.931,1169 2.915,1170 2.971,1171 2.899,1172 2.759,1173 4.271,1174 2.752,1175 2.854,1176 2.925,1177 2.724,1178 2.735,1179 4.072,1180 2.715,1181 0.178,1182 0.14,1183 0.264,1184 0.162,1185 0.126,1186 4.804,1187 0.176,1188 3.777,1189 0.089,1190 7.137,1191 0.46,1192 4.363,1193 0.122,1194 3.393,1195 4.762,1196 2.397,1197 12.41,1198 3.289,1199 1.951,1200 1.934,1201 2.023,1202 2.052,1203 1.199,1204 2.042,1205 1.89,1206 1.872,1207 1.976,1208 1.967,1209 1.101,1210 1.973,1211 1.678,1212 1.642,1213 1.825,1214 1.832,1215 0.985,1216 1.832,1217 1.333,1218 1.303,1219 1.588,1220 1.611,1221 0.669,1222 1.59,1223 1.185,1224 1.124,1225 1.53,1226 1.492,1227 0.572,1228 1.501,1229 1.066,1230 1.027,1231 1.238,1232 1.302,1233 0.321,1234 1.298,1235 0.898,1236 0.849,1237 1.181,1238 1.115,1239 0.218,1240 1.117,1241 0.886,1242 0.821,1243 1.129,1244 1.062,1245 0.206,1246 1.107,1247 4.007,1249 5.352,1250 2.398,1251 6.893,1252 4.949,1253 8.526,1254 7.222,1255 10.213,1257 3.291,1258 5.886,1262 9.233,1263 -0.17,1265 5.233,1272 27.923,1273 66.949,1274 154.357,1275 184.498,1276 200.15,1277 200.15,1278 200.15,1279 54.68,1280 7.134,1281 68.53,1282 68.53,1283 17,1284 12.677,1285 4.248,1286 3.459,1287 41.385,1288 78,1289 92,1290 0.266,1291 175.61,1292 305.09,1293 420.249,1294 10064,1295 2.4,1296 18.137,1297 0.725,1298 0.58,1299 18.637,1300 14.502,1301 11.918,1302 0.441,1303 0.296,1304 7.543,1305 11.149,1306 7.266,1307 6.019,1308 12.207,1309 7.999,1310 11.024,1311 0.283,1312 0.156,1313 11.432,1314 6.101,1315 9.123,1316 0.172,1317 0.083,1318 9.411,1319 4.416,1320 7.654,1321 0.105,1322 0.042,1323 7.821,1324 3.073,1325 6.52,1326 0.067,1327 0.023,1328 6.734,1329 2.195,1330 0.399,1331 78.03,1332 0.241,1333 23.651,1334 0.788,1335 132,1336 445.205,1337 160.121,1338 453.521,1339 596.99,1340 420,1341 158,1342 404.937,1343 179.063,1344 419.632,1345 613.77,1346 393,1347 4.18}
{0 CHEMBL611366,1 1.692,2 8.654,3 4.88,4 23.81,5 103.883,6 8.848,7 0.414,8 3.904,9 4.017,10 3.627,11 3.49,12 4.984,13 3.467,14 4.455,15 4.623,16 4.036,17 3.897,18 5.512,19 3.854,20 4.73,21 4.94,22 4.141,23 4.021,24 5.801,25 3.944,26 4.686,27 4.889,28 4.086,29 3.945,30 5.793,31 3.891,32 4.695,33 4.883,34 4.144,35 3.938,36 5.909,37 3.92,38 4.686,39 4.872,40 4.119,41 4.025,42 5.818,43 3.969,44 4.724,45 4.911,46 4.065,47 4.123,48 5.756,49 4.001,50 4.789,51 5.016,52 3.926,53 4.09,54 5.726,55 3.896,56 0.059,57 0.661,58 6.728,59 3.665,60 5.114,61 4.643,62 0.252,63 1.101,64 15.113,65 6.219,66 14.172,67 7.994,68 0.487,69 1.32,70 27.857,71 8.991,72 37.193,73 11.726,74 0.412,75 1.247,76 27.556,77 8.305,78 42.042,79 10.353,80 0.624,81 1.276,82 26.935,83 7.21,84 61.148,85 8.327,86 0.498,87 1.262,88 22.753,89 7.829,90 47.363,91 9.541,92 0.32,93 1.242,94 25.435,95 10.046,96 37.171,97 12.832,98 0.374,99 1.189,100 35.857,101 12.2,102 45.79,103 15.991,104 10,105 41,106 0.293,107 0.586,108 0.71,109 0.786,110 0.816,111 0.826,112 3.306,113 0.964,114 -5.94,115 -5.79,116 -5.39,118 43.2,120 2,124 2,125 1,137 8,139 4,150 2,157 1,162 6,165 3,166 5,174 7,178 5,179 7,187 7,191 1,192 9,200 1,204 19,217 13,225 2,231 5,239 14,245 1,253 18,259 1,267 5,272 926,273 17.706,274 17.706,275 17.706,276 17.706,277 17.706,278 15.901,279 23.737,280 10.416,281 18.225,282 14.304,283 14.304,284 14.304,285 14.304,286 14.304,287 11.58,288 31.45,289 4.95,290 15.281,291 3.767,292 2.073,293 1.352,294 0.915,295 0.744,296 0.682,297 4,298 2,300 1,301 1,302 490,303 2.121,306 67.133,307 244.033,314 1.169,315 23.976,318 0.75,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.84,326 55.667,327 225,328 4.473,329 3.85,330 6.824,331 4.18,332 3.235,333 3.925,334 1.219,335 11.242,336 3.049,337 4.159,338 3.201,339 6.294,340 3.765,341 2.831,342 3.706,343 0.954,344 9.415,345 2.647,346 4.042,347 3.061,348 6.098,349 3.694,350 2.75,351 3.514,352 0.557,353 8.882,354 2.573,355 3.571,356 2.9,357 5.454,358 3.238,359 2.324,360 2.835,361 0.21,362 6.67,363 2.127,364 3.445,365 2.812,366 5.041,367 3.117,368 2.198,369 2.559,370 0.2,371 6.065,372 1.942,373 2.992,374 2.23,375 4.68,376 2.672,377 1.725,378 2.082,380 4.686,381 1.626,382 2.86,383 1.949,384 4.36,385 2.372,386 1.414,387 1.998,389 4.047,390 1.313,391 2.781,392 1.629,393 4.009,394 2.352,395 1.414,396 1.788,398 3.193,399 1.265,400 2.542,401 1.449,402 3.601,403 2.192,404 1.208,405 1.532,407 2.881,408 1.17,409 2.5,410 1.072,411 3.414,412 2,413 1,414 1.5,416 2.275,417 1,418 2.002,419 1,420 3.403,421 1.812,422 0.853,423 0.934,425 2.096,426 0.814,427 1.679,428 0.915,429 3,430 1.591,431 0.618,432 0.618,434 1.372,435 0.6,436 1.618,437 0.744,438 2.998,439 1.166,440 0.193,441 0.264,443 0.476,444 0.175,445 1.105,446 0.411,447 2.7,448 0.669,449 -0.161,450 -0.191,452 -0.361,453 -0.109,454 0.971,455 0.314,456 2.459,457 0.536,458 -0.345,459 -0.416,461 -0.797,462 -0.25,463 12.862,464 0.495,465 0.627,466 0.024,467 33.5,468 1.288,469 16,470 0.615,471 17.5,472 0.673,473 22.208,474 0.854,475 27.338,476 0.621,477 24.366,478 0.937,479 6.504,480 0.25,481 6.127,482 0.236,483 0.137,485 0.327,490 0.607,491 1.383,492 0.531,493 0.934,494 0.496,495 0.875,496 0.773,497 1.179,498 0.64,499 0.84,500 0.537,501 0.867,502 0.832,503 1.046,504 0.854,505 0.944,506 0.745,507 0.938,508 1.279,509 1.23,510 0.935,511 0.945,512 1.348,513 0.895,514 1.62,515 1.031,516 0.934,517 0.836,518 1.778,519 0.824,520 1.262,521 0.915,522 0.754,523 0.802,524 1.412,525 0.885,526 0.865,527 0.982,528 0.922,529 1.067,530 0.969,531 1.136,532 0.773,533 0.946,534 1.18,535 1.224,536 0.87,537 1.254,538 4.5,539 0.045,540 3.333,541 1.528,542 1.529,543 1.323,544 0.725,545 0.269,546 0.299,547 0.151,548 7206,549 21780,550 2.124,551 40.9,553 12,554 2,558 4,561 1.701,562 2,563 3.057,564 -0.722,570 74.446,571 1.692,572 3.386,573 4.107,574 4.544,575 4.715,576 4.778,577 2.44,578 4.056,579 4.671,580 3.208,581 1042.57,582 8.149,583 12671.3,585 1,588 240.215,589 1.37,590 4.637,591 0.155,592 0.007,593 0.081,594 0.036,595 0.037,596 0.031,597 0.017,598 0.007,599 0.011,600 0.011,601 0.394,602 0.5,603 0.88,604 0.54,605 123.86,606 0.033,607 -0.21,608 0.026,609 -0.082,610 -0.002,611 -0.03,612 0.031,613 -0.026,614 0.027,615 0.016,616 0.048,617 -0.005,618 0.129,619 0.003,620 0.022,621 -0.023,622 0.098,623 -0.007,624 -0.128,625 -0.185,626 -0.032,627 -0.031,628 -0.116,629 0.016,630 -0.205,631 0.087,632 -0.089,633 0.022,634 -0.118,635 0.011,636 -0.152,637 0.166,638 -0.033,639 0.081,640 -0.078,641 -0.004,642 -0.07,643 -0.015,644 -0.082,645 -0.087,646 -0.069,647 -0.152,648 -0.001,649 -0.097,650 -0.094,651 -0.154,652 -0.091,653 -0.174,654 1.787,655 6.143,656 0.885,657 20.355,658 1.01,659 1.123,660 4.71,661 22.185,662 0.711,663 3.401,664 3.738,665 4.043,666 4.317,667 4.564,668 4.682,669 4.836,670 4.977,671 5.081,672 5.069,673 5.356,674 0.674,675 389.31,676 3.401,677 4.949,678 5.814,679 6.701,680 7.586,681 8.481,682 9.375,683 10.274,684 11.173,685 12.075,686 9.1,689 1,692 1,693 1,695 1,701 8,706 4,708 12,723 2,724 44,726 14,727 2,728 29,730 47,731 19,732 12,733 4,734 8,735 2,737 4,738 4,739 2,746 2,749 2,751 14,752 5,754 2,758 1,760 1,761 2,767 18,768 5,770 7,771 2,773 4,775 1,777 1,778 1,785 1,788 1,789 3,799 1,806 1,810 4,816 2,819 26,827 5,832 3,838 2,839 2.3,842 1,846 13,847 7.919,848 5.667,849 2.734,850 2.163,851 1.298,852 1.006,853 5.071,854 9.429,855 3.638,856 4.19,857 4.727,858 5.208,859 5.703,860 5.841,861 6.156,862 6.527,863 6.892,864 7.124,865 0.833,866 42,867 9.627,869 4.156,870 0.006,871 7.72,872 18.45,874 15.399,876 2.22,877 57.722,880 1,881 211.88,882 106.315,883 25.913,884 78.297,885 25.145,888 106.315,889 315.322,890 25.913,892 14.082,893 75.81,894 32.177,895 35.304,896 23.542,897 188.338,898 78.297,899 211.88,900 132.228,901 25.145,902 78.297,904 164.795,905 72.229,908 33.869,909 98.359,910 78.297,912 211.88,913 51.058,914 184.612,917 211.88,918 30.505,919 85.06,921 120.105,922 211.88,923 51.058,924 184.612,926 0.584,927 0.348,928 0.19,929 0.104,930 21,931 9,932 0.064,933 3,935 1,936 3.696,937 231.784,939 23,940 112.211,944 17.65,945 7.469,946 3.573,948 51.058,949 14.804,954 2.758,957 447.55,958 37,962 13.143,964 4.649,965 0.342,967 44.451,968 49.412,969 0.31,970 0.62,971 0.752,972 0.832,973 0.864,974 0.875,975 4.89,976 1.414,977 5.802,978 4.047,979 4.419,980 4.875,981 1.825,982 6.635,983 4.29,984 6.076,985 1.208,986 7.375,987 3.193,988 4.007,989 4.575,990 0.57,991 7.579,992 3.727,993 7.374,994 1,995 9.051,996 2.881,997 6.028,998 6.965,999 1.812,1000 10.714,1001 5.775,1002 8.706,1003 0.853,1004 10.788,1005 2.275,1006 6.463,1007 7.471,1008 0.941,1009 12.497,1010 6.08,1011 10.071,1012 0.618,1013 12.566,1014 2.096,1015 7.936,1016 9.332,1017 1.96,1018 15.149,1019 7.558,1020 11.458,1021 0.193,1022 14.37,1023 1.372,1024 8.751,1025 10.211,1026 1.281,1027 17.272,1028 8.269,1029 12.863,1030 -0.161,1031 16.194,1032 0.476,1033 10.013,1034 11.84,1035 2.181,1036 19.759,1037 9.513,1038 3.235,1039 -0.345,1040 18.032,1041 -0.361,1042 11.005,1043 12.912,1044 1.637,1045 22.031,1046 10.42,1047 2.831,1048 11.242,1049 19.882,1050 -0.797,1051 12.187,1052 14.419,1053 2.446,1054 24.46,1055 11.568,1056 2.75,1057 9.415,1058 21.74,1059 3.925,1060 13.262,1061 15.6,1062 2.017,1063 26.802,1064 12.57,1065 2.324,1066 8.882,1067 23.606,1068 3.706,1069 14.418,1070 17.041,1071 2.742,1072 29.212,1073 13.68,1074 2.198,1075 6.67,1076 25.477,1077 3.514,1078 15.533,1079 18.285,1080 2.413,1081 31.587,1082 14.73,1083 1.725,1084 6.065,1085 27.354,1086 2.835,1087 16.683,1088 19.687,1089 3.06,1090 33.994,1091 15.829,1092 1.414,1093 4.686,1094 29.234,1095 2.559,1096 17.819,1097 20.971,1098 2.82,1099 36.388,1100 16.903,1101 6871,1102 12084,1103 19.592,1104 31.284,1105 44.159,1106 45.155,1107 44.835,1108 44.006,1109 43.526,1110 54.508,1111 6.28,1112 126.597,1113 40.6,1114 5.456,1115 5.85,1116 6.509,1117 5.251,1118 5.235,1119 6.925,1120 2.319,1121 18.765,1122 5.049,1123 10.989,1124 1.523,1125 1.557,1126 1.546,1127 1.517,1128 1.501,1129 1.88,1130 0.217,1131 4.365,1132 1.4,1133 4.008,1134 4.053,1135 4.053,1136 3.893,1137 7.428,1138 3.897,1139 3.872,1140 3.896,1141 3.978,1142 3.819,1143 4.965,1144 3.811,1145 3.825,1146 3.881,1147 3.786,1148 3.677,1149 4.922,1150 3.68,1151 3.574,1152 3.625,1153 3.546,1154 3.37,1155 4.643,1156 3.398,1157 3.048,1158 3.096,1159 3.309,1160 2.873,1161 4.341,1162 2.882,1163 2.97,1164 3.029,1165 3.277,1166 2.818,1167 4.299,1168 2.812,1169 2.878,1170 2.979,1171 2.878,1172 2.775,1173 4.126,1174 2.761,1175 2.869,1176 2.925,1177 2.771,1178 2.735,1179 3.78,1180 2.715,1181 0.154,1182 0.133,1183 0.235,1184 0.144,1185 0.112,1186 4.473,1187 0.135,1188 3.85,1189 0.042,1190 6.824,1191 0.388,1192 4.18,1193 0.105,1194 3.235,1195 3.925,1196 1.219,1197 11.242,1198 3.049,1199 1.918,1200 1.889,1201 2,1202 2.06,1203 1.211,1204 2.042,1205 1.863,1206 1.841,1207 1.954,1208 1.939,1209 1.134,1210 1.953,1211 1.603,1212 1.552,1213 1.86,1214 1.812,1215 1.053,1216 1.799,1217 1.577,1218 1.507,1219 1.738,1220 1.751,1221 0.988,1222 1.793,1223 1.325,1224 1.244,1225 1.564,1226 1.58,1227 0.773,1228 1.584,1229 0.912,1230 0.882,1231 1.181,1232 1.15,1233 0.218,1234 1.124,1235 0.886,1236 0.824,1237 1.129,1238 1.064,1239 0.201,1240 1.107,1241 0.87,1242 0.821,1243 1.074,1244 1.062,1245 0.151,1246 1.078,1247 4.078,1249 5.407,1250 2.398,1251 6.938,1252 4.443,1253 8.562,1254 6.293,1255 10.237,1258 12.368,1263 4.116,1268 5.542,1272 29.67,1273 74.446,1274 148.996,1275 180.705,1276 199.95,1277 207.46,1278 210.215,1279 41.224,1280 7.266,1281 39.15,1282 39.15,1283 23,1284 12.597,1285 3.907,1286 3.17,1287 37.585,1288 84,1289 92,1290 0.225,1291 187.871,1292 328.11,1293 450.166,1294 11890,1295 4.5,1296 18.096,1297 0.696,1298 0.601,1299 19.096,1300 15.619,1301 12.631,1302 0.436,1303 0.321,1304 8.517,1305 11.634,1306 8.304,1307 6.821,1308 13.208,1309 9.32,1310 11.408,1311 0.278,1312 0.175,1313 12.187,1314 7.163,1315 9.961,1316 0.178,1317 0.092,1318 10.608,1319 5.172,1320 8.237,1321 0.111,1322 0.049,1323 8.713,1324 3.608,1325 6.636,1326 0.07,1327 0.024,1328 7.108,1329 2.261,1330 0.338,1331 84.81,1332 0.226,1333 24.429,1334 0.669,1335 140,1336 404.723,1337 182.995,1338 452.928,1339 605.01,1340 422,1341 167,1342 408.866,1343 203.608,1344 430.532,1345 636.14,1346 406,1347 5.558}
{0 CHEMBL71,1 1.517,2 7.429,3 4.74,4 22.467,5 93.756,6 7.972,7 0.522,8 3.768,9 3.885,10 3.462,11 3.418,12 4.751,13 3.333,14 4.31,15 4.5,16 3.86,17 3.826,18 5.208,19 3.711,20 4.537,21 4.733,22 3.961,23 4.001,24 5.395,25 3.842,26 4.638,27 4.886,28 3.83,29 3.982,30 5.392,31 3.799,32 4.555,33 4.777,34 3.85,35 3.954,36 5.356,37 3.77,38 4.579,39 4.832,40 3.647,41 3.862,42 5.376,43 3.673,44 4.431,45 4.674,46 3.539,47 3.713,48 5.27,49 3.517,50 4.27,51 4.515,52 3.317,53 3.534,54 5.127,55 3.306,56 0.028,57 0.558,58 8.417,59 3.845,60 6.129,61 5.123,62 0.136,63 0.958,64 17.737,65 6.587,66 12.844,67 8.57,68 0.168,69 1.166,70 26.686,71 9.372,72 17.12,73 11.817,74 0.255,75 1.243,76 31.27,77 10.9,78 18.805,79 13.77,80 0.134,81 1.114,82 28.826,83 10.184,84 15.098,85 12.991,86 0.177,87 1.111,88 28.25,89 9.823,90 21.195,91 12.906,92 0.159,93 0.944,94 26.223,95 8.623,96 20.642,97 11.269,98 0.184,99 0.778,100 22.606,101 7.294,102 21.167,103 9.543,104 14,105 32,106 0.272,107 0.549,108 0.706,109 0.821,110 0.848,111 0.848,112 3.105,113 1.087,114 -5,115 -4.9,116 -4.59,118 42.5,120 1,123 2,124 2,137 7,139 5,162 4,166 4,174 7,179 4,187 7,191 1,192 3,200 5,212 10,217 2,225 8,231 4,239 3,245 3,253 1,272 595,273 14.137,274 14.137,275 14.137,276 14.137,277 14.137,278 12.659,279 18.056,280 8.462,281 14.652,282 11.386,283 11.386,284 11.386,285 11.386,286 11.386,287 9.187,288 24.217,289 4.052,290 12.313,291 3.805,292 2.258,293 1.379,294 0.738,295 0.588,296 0.588,297 3.786,298 1,300 1,301 1,302 332,303 3,307 119.362,311 135.884,314 1.075,315 7.501,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 43.333,327 156,328 4.513,329 4.606,330 6.836,331 4.165,332 3.237,333 4.107,334 2.95,335 11.378,336 2.997,337 4.028,338 3.246,339 6.006,340 3.56,341 2.607,342 3.66,343 0.8,344 8.482,345 2.472,346 3.461,347 3.124,348 5.384,349 3.179,350 2.263,351 2.778,352 0.8,353 6.719,354 2.07,355 3.351,356 2.803,357 4.953,358 3.033,359 2.134,360 2.502,362 5.782,363 1.902,364 3.202,365 2.569,366 4.656,367 2.933,368 2.073,369 2.215,371 5.168,372 1.698,373 2.882,374 1.762,375 4.135,376 2.403,377 1.43,378 2.052,380 3.384,381 1.379,382 2.712,383 1.48,384 3.867,385 2.239,386 1.257,387 1.807,389 3.162,390 1.228,391 2.417,392 1.332,393 3.592,394 2.216,395 1.239,396 1.403,398 2.789,399 1.207,400 1.897,401 1.044,402 3.157,403 1.636,404 0.677,405 0.81,407 1.588,408 0.642,409 1.386,410 0.722,411 2.908,412 1.058,413 0.195,414 0.222,416 0.486,417 0.156,418 1.029,419 0.541,420 2.529,421 0.624,422 -0.258,423 -0.307,425 -0.614,426 -0.2,427 0.733,428 0.032,429 2.354,430 0.486,431 -0.455,432 -0.518,434 -1.155,435 -0.424,436 0.645,437 -0.2,438 2.239,439 0.176,440 -0.743,441 -0.929,443 -1.953,444 -0.574,445 0.349,446 -0.6,447 2,448 -0.02,449 -1,450 -1,452 -2,453 -0.888,454 0.331,455 -0.707,456 1.814,457 -0.1,458 -1,459 -1.247,461 -2.512,462 -0.9,463 10.848,464 0.517,465 0.524,466 0.025,467 26.25,468 1.25,469 13,470 0.619,471 13.25,472 0.631,473 17.806,474 0.848,475 22.152,476 0.554,477 16.254,478 0.774,479 5.011,480 0.239,481 5.137,482 0.245,483 0.158,485 0.304,490 0.745,491 1.293,492 0.655,493 0.899,494 0.699,495 0.919,496 1.241,497 0.872,498 0.726,499 0.669,500 0.621,501 0.733,502 1.105,503 1.101,504 1.043,505 1.048,506 0.916,507 0.999,508 0.774,509 0.806,510 0.904,511 0.915,512 0.681,513 0.86,514 0.635,515 1.106,516 0.796,517 1.028,518 0.731,519 1.048,520 1.043,521 0.964,522 0.933,523 0.926,524 1.034,525 0.983,526 1.103,527 1.133,528 1.103,529 1.096,530 1.192,531 1.093,532 1.205,533 1.026,534 1.2,535 1.096,536 1.472,537 1.19,538 4,540 2.222,541 1.375,542 1.391,543 0.521,544 0.504,545 0.325,546 0.218,547 0.063,548 3883,549 9745,550 2.074,551 47.5,553 17,559 2,561 1.639,562 1.938,563 2.911,564 -0.797,570 60.68,571 1.517,572 3.064,573 3.943,574 4.584,575 4.734,576 4.734,577 2.226,578 4.297,579 4.359,580 3.059,581 642.382,582 7.51,583 6728.97,585 1,588 212.877,589 1.418,590 4.322,591 0.174,593 0.069,594 0.042,595 0.046,596 0.019,597 0.021,598 0.016,599 0.016,600 0.01,601 0.413,602 0.5,603 1,604 1.447,605 92.895,606 0.042,607 -0.191,608 0.053,609 -0.016,610 -0.026,611 -0.004,612 -0.141,613 0.258,614 0.101,615 0.246,616 0.105,617 0.176,618 -0.085,619 -0.038,620 -0.038,621 -0.025,622 -0.054,623 -0.04,624 0.096,625 0.205,626 0.034,627 0.099,628 0.073,629 0.118,630 0.063,631 -0.141,632 0.063,633 -0.058,634 0.032,635 -0.067,636 -0.067,637 -0.018,638 -0.027,639 -0.012,640 -0.039,641 -0.017,642 -0.021,643 -0.207,644 -0.072,645 -0.147,646 -0.018,647 -0.114,648 -0.022,649 -0.113,650 -0.128,651 -0.161,652 -0.149,653 -0.215,654 0.869,655 2.098,656 0.667,657 15.302,658 0.989,659 1.115,660 3.768,661 14.197,662 0.709,663 3.178,664 3.497,665 3.761,666 4.078,667 4.394,668 4.489,669 4.635,670 4.736,671 4.762,672 4.543,673 4.808,674 0.645,675 318.9,676 3.178,677 4.71,678 5.557,679 6.444,680 7.323,681 8.222,682 9.116,683 10.021,684 10.922,685 11.829,686 5,689 1,694 1,701 7,706 5,708 12,720 1,723 1,724 40,726 12,727 2,728 23,730 42,731 17,732 12,733 5,734 7,737 3,738 6,739 1,749 1,751 12,752 5,767 19,768 2,770 4,771 2,773 2,777 0.333,789 3,793 2,806 1,810 1,811 1,813 1,815 2,816 1,819 21,827 3,830 1,832 2,838 1,846 10.833,847 7.793,848 4.611,849 2.388,850 2.454,851 1.352,852 0.991,853 4.55,854 9.433,855 3.401,856 3.97,857 4.511,858 5.092,859 5.685,860 5.896,861 6.292,862 6.708,863 7.036,864 7.123,865 0.8,866 33,867 7.745,869 3.185,870 0.006,871 7.442,872 15.332,874 12.596,876 1.942,877 40.778,878 0.001,880 1,881 223.651,882 134.208,883 6.249,884 39.149,887 32.22,888 101.988,889 262.8,890 6.249,891 16.793,892 6.746,893 66.334,895 18.364,897 255.87,898 39.149,899 223.651,900 108.237,902 71.368,904 200.109,905 23.542,908 12.995,909 95.242,910 39.149,911 32.22,912 223.651,913 6.249,914 173.356,917 223.651,918 51.081,919 89.375,921 39.149,922 223.651,923 6.249,924 173.356,926 0.576,927 0.32,928 0.181,929 0.112,930 16,931 7,932 0.095,933 4,934 2,935 1.286,936 3.27,937 164.919,938 0.286,939 14,940 90.239,941 1,944 14.917,945 6.406,946 3.267,948 6.249,949 14.767,954 5.91,957 403.256,958 29,967 39.556,968 44.597,969 0.285,970 0.576,971 0.741,972 0.861,973 0.89,974 0.89,975 4.635,976 1.239,977 5.541,978 3.162,979 4.174,980 4.654,981 3.012,982 6.361,983 4.02,984 5.822,985 0.677,986 7.099,987 2.789,988 3.761,989 4.388,990 0.57,991 7.298,992 3.445,993 7.115,994 0.195,995 8.762,996 1.588,997 5.759,998 6.784,999 5.033,1000 10.439,1001 5.458,1002 8.444,1003 -0.258,1004 10.489,1005 0.486,1006 6.155,1007 7.318,1008 0.479,1009 12.247,1010 5.705,1011 9.807,1012 -0.455,1013 12.26,1014 -0.614,1015 7.646,1016 9.215,1017 7.185,1018 14.923,1019 7.203,1020 11.195,1021 -0.743,1022 14.061,1023 -1.155,1024 8.444,1025 10.148,1026 0.346,1027 17.094,1028 7.873,1029 12.605,1030 -1,1031 15.886,1032 -1.953,1033 9.729,1034 11.808,1035 9.348,1036 19.611,1037 9.138,1038 3.237,1039 -1,1040 17.729,1041 -2,1042 10.727,1043 12.952,1044 0.237,1045 21.933,1046 10.025,1047 2.607,1048 11.378,1049 19.586,1050 -2.512,1051 11.932,1052 14.491,1053 11.511,1054 24.394,1055 11.187,1056 2.263,1057 8.482,1058 21.454,1059 4.107,1060 13.024,1061 15.749,1062 0.158,1063 26.778,1064 12.181,1065 2.134,1066 6.719,1067 23.331,1068 3.66,1069 14.202,1070 17.223,1071 13.675,1072 29.219,1073 13.3,1074 2.073,1075 5.782,1076 25.215,1077 2.778,1078 15.337,1079 18.544,1080 0.104,1081 31.629,1082 14.346,1083 1.43,1084 5.168,1085 27.105,1086 2.502,1087 16.507,1088 19.983,1089 15.838,1090 34.064,1091 15.447,1092 1.257,1093 3.384,1094 29.001,1095 2.215,1096 17.662,1097 21.34,1098 0.068,1099 36.485,1100 16.518,1101 3874,1102 6275,1103 15.315,1104 28.37,1105 34.481,1106 37.025,1107 35.334,1108 34.407,1109 34.222,1110 43.111,1111 9.1,1112 97.876,1113 31.504,1114 5.423,1115 6.606,1116 6.517,1117 5.33,1118 5.237,1119 7.107,1120 5.9,1121 18.911,1122 4.997,1123 9.931,1124 1.499,1125 1.61,1126 1.536,1127 1.496,1128 1.488,1129 1.874,1130 0.396,1131 4.255,1132 1.37,1133 4.027,1134 4.051,1135 4.174,1136 3.995,1137 4.945,1138 3.969,1139 3.763,1140 3.787,1141 3.853,1142 3.719,1143 4.722,1144 3.709,1145 3.695,1146 3.776,1147 3.559,1148 3.509,1149 4.342,1150 3.505,1151 3.374,1152 3.464,1153 3.469,1154 3.16,1155 4.275,1156 3.158,1157 3.031,1158 3.09,1159 3.235,1160 3.037,1161 3.968,1162 2.946,1163 2.945,1164 3.009,1165 2.962,1166 2.827,1167 3.649,1168 2.812,1169 2.874,1170 2.977,1171 2.821,1172 2.686,1173 3.638,1174 2.665,1175 2.791,1176 2.855,1177 2.591,1178 2.618,1179 3.476,1180 2.57,1181 0.196,1182 0.2,1183 0.297,1184 0.181,1185 0.141,1186 4.513,1187 0.179,1188 4.606,1189 0.128,1190 6.836,1191 0.495,1192 4.165,1193 0.13,1194 3.237,1195 4.107,1196 2.95,1197 11.378,1198 2.997,1199 1.981,1200 1.964,1201 2.037,1202 2.057,1203 1.29,1204 2.069,1205 1.768,1206 1.745,1207 1.915,1208 1.889,1209 1.14,1210 1.905,1211 1.669,1212 1.593,1213 1.867,1214 1.835,1215 0.975,1216 1.854,1217 1.361,1218 1.269,1219 1.68,1220 1.604,1221 0.816,1222 1.636,1223 1.013,1224 0.975,1225 1.417,1226 1.239,1227 0.471,1228 1.308,1229 0.94,1230 0.898,1231 1.275,1232 1.214,1233 0.469,1234 1.242,1235 0.934,1236 0.804,1237 1.121,1238 1.027,1239 0.247,1240 1.084,1241 0.813,1242 0.755,1243 1.087,1244 0.976,1245 0.208,1246 1.021,1247 3.85,1249 5.165,1251 6.688,1253 8.323,1255 10.024,1257 4.232,1258 6.209,1263 3.211,1266 1.824,1268 4.625,1272 25.799,1273 60.68,1274 122.555,1275 157.716,1276 183.367,1277 189.367,1278 189.367,1279 24.122,1280 6.979,1281 8.17,1282 36.41,1283 18,1284 12.348,1285 3.7,1286 2.807,1287 31.893,1288 57,1289 67,1290 0.272,1291 167.148,1292 283.66,1293 399.601,1294 8941,1295 2.5,1296 14.82,1297 0.706,1298 0.663,1299 15.673,1300 13.916,1301 10.148,1302 0.441,1303 0.362,1304 7.172,1305 9.172,1306 6.798,1307 5.68,1308 10.845,1309 8.331,1310 9.275,1311 0.29,1312 0.219,1313 10.325,1314 7.011,1315 7.302,1316 0.174,1317 0.118,1318 8.374,1319 4.94,1320 6.294,1321 0.109,1322 0.066,1323 7.413,1324 3.831,1325 5.578,1326 0.07,1327 0.039,1328 6.981,1329 3.094,1330 0.407,1331 69.464,1332 0.256,1333 20.353,1334 0.809,1335 110,1336 260.354,1337 155.305,1338 311.185,1339 424.47,1340 292,1341 129,1342 278.535,1343 168.028,1344 313.789,1345 460.02,1346 294,1347 4.26}
{0 CHEMBL73380,1 1.209,2 6.154,3 3.081,4 9.493,5 52.888,6 7.401,7 0.857,8 3.221,9 3.316,10 2.785,11 2.893,12 4.404,13 2.849,14 3.626,15 3.746,16 3.057,17 3.225,18 4.771,19 3.154,20 3.873,21 4.062,22 2.993,23 3.268,24 4.935,25 3.159,26 3.775,27 4,28 2.677,29 3.078,30 4.731,31 2.929,32 3.588,33 3.84,34 2.478,35 2.877,36 4.466,37 2.718,38 3.363,39 3.616,40 2.195,41 2.548,42 4.339,43 2.392,44 2.996,45 3.248,46 1.723,47 1.97,48 4.122,49 1.845,50 2.416,51 2.68,52 1.043,53 1.259,54 3.546,55 1.15,56 0.026,57 0.248,58 4.408,59 2.133,60 5.634,61 2.683,62 0.019,63 0.384,64 6.786,65 3.338,66 5.946,67 4.355,68 0.067,69 0.512,70 9.974,71 4.448,72 15.464,73 5.823,74 0.067,75 0.475,76 9.472,77 4.148,78 14.647,79 5.557,80 0.036,81 0.401,82 7.961,83 3.546,84 8.965,85 4.952,86 0.034,87 0.316,88 6.467,89 2.777,90 9.295,91 3.795,92 0.057,93 0.212,94 4.791,95 1.802,96 12.832,97 2.235,98 0.046,99 0.114,100 2.782,101 0.952,102 9.678,103 1.11,104 2,105 18,106 0.246,107 0.399,108 0.521,109 0.703,110 0.78,111 0.78,112 2.667,113 0.901,114 -4.36,115 -4.29,116 -4.05,118 52.2,137 9,138 2,139 1,162 11,171 2,174 14,184 2,187 13,197 1,200 9,209 1,212 6,222 2,225 2,236 2,250 1,272 140,273 8.914,274 8.914,275 8.914,276 8.914,277 8.914,278 7.45,279 2.157,280 5.497,281 8.954,282 6.921,283 6.921,284 6.921,285 6.921,286 6.921,287 4.876,288 1.163,289 2.635,290 7.002,291 3.315,292 2.568,293 1.969,294 1.076,295 0.696,296 0.696,297 3.312,300 1,301 1,302 168,303 1.225,307 76.36,314 0.959,315 6.408,318 1,319 0.83,320 0.83,321 0.5,323 1,324 1,325 0.74,326 27,327 80,328 4.238,329 2.885,330 6.141,331 3.86,332 2.863,333 3.883,335 9.046,336 2.856,337 3.742,338 2.532,339 5.047,340 3.295,341 2.329,342 3.263,344 6.109,345 2.246,346 3.235,347 1.83,348 4.399,349 2.774,350 1.784,351 2.548,353 4.39,354 1.761,355 2.629,356 1.184,357 3.492,358 2.144,359 1.151,360 1.69,362 2.677,363 1.141,364 2.5,365 1,366 3.414,367 2,368 1,369 1.5,371 2.275,372 1,373 2.5,374 1,375 3.247,376 2,377 1,378 1.5,380 2.136,381 1,382 1.176,383 0.124,384 2.42,385 0.801,386 -0.151,387 -0.19,389 -0.327,390 -0.141,391 0.637,392 -0.685,393 2,394 0.191,395 -0.784,396 -1.048,398 -1.727,399 -0.761,400 0.5,401 -1,402 1.621,404 -1,405 -1.5,407 -2.347,408 -1,409 0.5,410 -1,411 1.555,413 -1,414 -1.5,416 -3,417 -1,418 -0.057,419 -1.156,420 1.04,421 -0.398,422 -1.329,423 -1.763,425 -3.118,426 -1.246,427 -0.5,428 -1.853,429 0.84,430 -0.867,431 -1.863,432 -2.383,434 -4.789,435 -1.856,436 -0.5,437 -2,438 0.586,439 -1,440 -2,441 -3,443 -5.275,444 -2,445 -0.601,446 -2,447 0.198,448 -1,449 -2,450 -3,452 -6.05,453 -2,463 6.333,464 0.487,465 0.226,466 0.017,467 19.75,468 1.519,469 12.5,470 0.962,471 7.25,472 0.558,473 5.649,474 0.435,475 12.867,476 0.559,477 10.651,478 0.819,479 4.113,480 0.316,481 2.247,482 0.173,483 0.053,485 0.237,490 0.949,491 0.799,492 0.827,493 0.797,494 1.012,495 0.8,496 0.599,497 1.088,498 0.94,499 1.086,500 0.592,501 1.051,502 0.983,503 1.038,504 1.052,505 1.042,506 0.956,507 1.052,508 0.873,509 1.045,510 1.101,511 1.057,512 0.92,513 1.095,514 0.362,515 0.984,516 0.885,517 0.992,518 0.441,519 0.988,520 0.728,521 1.124,522 0.95,523 1.115,524 0.714,525 1.063,526 2.257,527 1.011,528 1.138,529 0.985,530 2.129,531 0.96,532 3.3,533 0.769,534 1.236,535 0.744,536 3.111,537 0.786,538 2,540 1.333,541 0.438,542 0.253,543 0.25,544 0.16,545 0.047,546 0.02,548 1098,549 2920,550 2.082,551 43.5,553 9,556 1,561 1.481,562 2,563 2.696,564 -0.352,568 1,570 27.803,571 1.209,572 1.956,573 2.555,574 3.447,575 3.828,576 3.828,577 2.2,578 2.873,579 3.675,580 2.706,581 211.052,582 6.07,583 1529.7,585 1,588 104.042,589 1.14,590 3.655,591 0.143,593 0.074,594 0.027,595 0.023,596 0.028,597 0.027,598 0.016,599 0.02,601 0.358,602 0.83,603 1,604 0.569,605 47.319,606 -0.106,607 0.126,608 -0.006,609 0.117,610 -0.179,611 0.073,612 -0.002,613 -0.171,614 -0.118,615 -0.17,616 0.018,617 -0.158,618 -0.076,619 -0.092,620 -0.127,621 -0.097,622 -0.05,623 -0.114,624 -0.08,625 -0.089,626 -0.148,627 -0.096,628 -0.113,629 -0.124,630 0.079,631 -0.021,632 0.074,633 -0.012,634 0.049,635 0.024,636 0.103,637 -0.16,638 0.053,639 -0.142,640 0.137,641 -0.063,642 -0.133,643 -0.019,645 -0.013,646 -0.085,647 0.003,648 -0.347,649 0.255,650 0.015,651 0.245,652 -0.299,653 0.176,654 1.361,655 3.104,656 0.923,657 6.024,658 0.989,659 1.099,660 3.127,661 9.778,662 0.707,663 2.708,664 2.944,665 3.135,666 3.296,667 3.497,668 3.296,669 3.219,670 3.045,671 2.833,672 2.565,673 3.683,674 0.667,675 170.22,676 2.708,677 4.174,678 4.977,679 5.802,680 6.624,681 7.455,682 8.283,683 9.116,684 9.946,685 10.78,701 9,706 3,708 12,721 1,724 23,726 12,727 2,728 14,730 24,731 12,732 12,733 3,734 9,737 2,738 2,751 12,767 10,768 1,769 1,770 1,777 1,778 1,789 2,810 2,819 13,826 1,839 4.3,841 1,846 6.5,847 3.95,848 2.944,849 1.279,850 2.272,851 1.418,852 0.956,853 2.109,854 7.701,855 3.045,856 3.611,857 4.159,858 4.691,859 5.247,860 5.238,861 5.558,862 5.768,863 5.932,864 6.019,865 1,866 16,867 4.756,868 -0.003,869 1.942,870 0.006,871 7.731,872 9.096,873 -0.001,874 7.203,875 0.001,876 2.231,877 29,878 0.008,881 105.94,882 91.657,885 42.683,888 91.657,889 148.623,893 85.286,894 42.683,895 6.371,897 105.94,899 105.94,900 91.657,901 42.683,904 105.94,905 42.683,909 91.657,912 105.94,913 42.683,914 91.657,917 105.94,918 6.371,919 85.286,921 42.683,922 105.94,923 42.683,924 91.657,926 0.562,927 0.316,928 0.164,929 0.095,930 9,931 3,932 0.042,933 1,935 1,936 2.605,937 75.968,939 12,940 40.106,944 8.022,945 3.418,946 1.764,948 42.683,949 17.299,954 2.598,956 42.683,957 240.281,958 20,967 22.745,968 25.285,969 0.267,970 0.432,971 0.565,972 0.762,973 0.846,974 0.846,975 4.19,976 -0.784,977 4.905,978 -0.327,979 3.611,980 4.29,982 5.602,983 3.589,984 5.368,985 -1,986 6.389,987 -1.727,988 2.944,989 3.726,991 6.293,992 2.879,993 6.63,994 -1,995 7.975,996 -2.347,997 5.081,998 6.426,1000 9.343,1001 5.043,1002 7.93,1003 -1.329,1004 9.625,1005 -3,1006 5.252,1007 6.677,1009 10.926,1010 5.181,1011 9.26,1012 -1.863,1013 11.318,1014 -3.118,1015 6.83,1016 8.803,1018 13.448,1019 6.781,1020 10.613,1021 -2,1022 13.041,1023 -4.789,1024 7.419,1025 9.483,1027 15.391,1028 7.351,1029 11.983,1030 -2,1031 14.785,1032 -5.275,1033 8.725,1034 11.299,1036 17.72,1037 8.672,1038 2.863,1040 16.546,1041 -6.05,1042 9.533,1043 12.233,1045 19.814,1046 9.471,1047 2.329,1048 9.046,1049 18.319,1051 10.705,1052 13.867,1054 22.067,1055 10.651,1056 1.784,1057 6.109,1058 20.1,1059 3.883,1060 11.629,1061 14.959,1063 24.224,1064 11.572,1065 1.151,1066 4.39,1067 21.889,1068 3.263,1069 12.735,1070 16.482,1072 26.447,1073 12.683,1074 1,1075 2.677,1076 23.683,1077 2.548,1078 13.72,1079 17.673,1081 28.63,1082 13.666,1083 1,1084 2.275,1085 25.481,1086 1.69,1087 14.795,1088 19.129,1090 30.841,1091 14.744,1092 -0.151,1093 2.136,1094 27.282,1095 1.5,1096 15.811,1097 20.383,1099 33.035,1100 15.76,1101 1126,1102 1882,1103 9.534,1104 16.261,1105 20.547,1106 20.249,1107 20.624,1108 20.318,1109 20.253,1110 28.769,1112 53.264,1113 20.008,1114 4.839,1115 4.885,1116 5.943,1117 4.86,1118 4.863,1119 6.883,1121 15.097,1122 4.856,1123 4.017,1124 1.468,1125 1.446,1126 1.473,1127 1.451,1128 1.447,1129 2.055,1131 3.805,1132 1.429,1133 3.994,1134 4.017,1135 3.938,1136 3.947,1137 6.471,1138 3.942,1139 3.74,1140 3.77,1141 3.663,1142 3.669,1143 4.807,1144 3.663,1145 3.008,1146 3.034,1147 2.924,1148 2.885,1149 4.514,1150 2.887,1151 2.854,1152 2.925,1153 2.687,1154 2.735,1155 3.674,1156 2.715,1157 2.854,1158 2.925,1159 2.687,1160 2.735,1161 3.674,1162 2.715,1163 2.602,1164 2.659,1165 2.44,1166 2.396,1167 3.617,1168 2.396,1169 2.098,1170 2.194,1171 1.81,1172 1.564,1173 3.073,1174 1.618,1175 1.602,1176 1.802,1177 1.039,1178 1.217,1179 1.992,1180 1.144,1181 0.303,1182 0.206,1183 0.439,1184 0.276,1185 0.204,1186 4.238,1187 0.277,1188 2.885,1190 6.141,1191 0.646,1192 3.86,1193 0.204,1194 2.863,1195 3.883,1197 9.046,1198 2.856,1199 1.982,1200 1.961,1201 2.083,1202 2.049,1203 1.179,1204 2.061,1205 1.743,1206 1.715,1207 1.88,1208 1.842,1209 0.924,1210 1.856,1211 0.974,1212 0.945,1213 1.181,1214 1.159,1215 0.248,1216 1.151,1217 0.886,1218 0.821,1219 1.181,1220 1.062,1221 0.218,1222 1.107,1223 0.886,1224 0.821,1225 1.158,1226 1.062,1227 0.218,1228 1.107,1229 0.558,1230 0.503,1231 0.875,1232 0.854,1234 0.864,1237 0.54,1238 0.476,1240 0.51,1243 0.381,1244 0.133,1246 0.23,1247 3.367,1249 4.615,1251 6.08,1253 7.631,1255 9.221,1262 9.104,1272 15.349,1273 27.803,1274 44.983,1275 58.758,1276 79.287,1277 88.042,1278 88.042,1279 12.507,1280 5.429,1281 20.23,1282 20.23,1283 12,1284 11.351,1285 3.7,1286 2.807,1287 19.222,1288 28,1289 26,1290 0.354,1291 97.524,1292 162.59,1293 229.718,1294 1172,1296 9.096,1297 0.7,1298 0.549,1299 9.096,1300 7.143,1301 6.36,1302 0.454,1303 0.3,1304 4.19,1305 6.289,1306 4.084,1307 3.425,1308 6.36,1309 4.206,1310 5.418,1311 0.301,1312 0.162,1313 5.418,1314 2.913,1315 4.377,1316 0.199,1317 0.09,1318 4.377,1319 1.974,1320 3.363,1321 0.129,1322 0.049,1323 3.363,1324 1.284,1325 2.782,1326 0.087,1327 0.027,1328 2.782,1329 0.862,1330 0.526,1331 38.738,1332 0.324,1333 13.204,1334 1.038,1335 64,1336 162.15,1337 66.104,1338 165.151,1339 226.19,1340 154,1341 72,1342 165.03,1343 73.661,1344 171.589,1345 244.22,1346 162,1347 3.98}
{0 CHEMBL77613,1 1.342,2 5.778,3 3.643,4 13.274,5 71.719,6 7.186,7 0.579,8 3.602,9 3.7,10 3.109,11 3.18,12 4.809,13 3.145,14 4.088,15 4.248,16 3.484,17 3.576,18 5.172,19 3.524,20 4.35,21 4.498,22 3.702,23 3.774,24 5.595,25 3.718,26 4.556,27 4.74,28 3.724,29 3.803,30 5.843,31 3.739,32 4.564,33 4.743,34 3.53,35 3.703,36 5.899,37 3.617,38 4.466,39 4.71,40 3.029,41 3.469,42 5.541,43 3.304,44 4.191,45 4.48,46 2.325,47 3.047,48 5.197,49 2.785,50 3.907,51 4.3,52 0.99,53 2.177,54 4.796,55 1.807,56 0.042,57 0.414,58 7.113,59 3.5,60 11.99,61 4.27,62 0.056,63 0.671,64 12.28,65 5.758,66 18.95,67 7.418,68 0.138,69 0.86,70 16.057,71 7.337,72 34.943,73 9.397,74 0.25,75 1.001,76 21.217,77 8.495,78 62.533,79 10.943,80 0.38,81 0.972,82 22.067,83 8.146,84 85.101,85 10.184,86 0.307,87 0.869,88 20.992,89 7.44,90 69.411,91 9.871,92 0.174,93 0.657,94 16.203,95 5.742,96 40.52,97 8.102,98 0.365,99 0.422,100 14.518,101 3.682,102 73.925,103 5.439,104 41,105 28,106 0.25,107 0.629,108 0.777,109 0.814,110 0.825,111 0.825,112 2.964,113 0.932,114 -4.48,115 -4.41,116 -4.15,118 44.1,119 3,121 1,137 3,138 5,139 2,147 1,162 12,166 1,171 2,174 16,179 1,183 1,184 5,187 14,192 2,195 1,197 7,200 11,204 3,207 1,209 6,212 9,217 2,222 3,225 4,231 3,236 1,272 300,273 11.629,274 11.629,275 11.629,276 11.629,277 11.629,278 10.164,279 9.356,280 6.515,281 11.664,282 9.23,283 9.23,284 9.23,285 9.23,286 9.23,287 6.934,288 6.051,289 2.915,290 9.318,291 3.746,292 1.705,293 0.912,294 0.714,295 0.655,296 0.655,297 3.605,299 1,300 1,301 1,302 208,303 2.739,307 79.879,311 68.912,314 0.827,315 24.124,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 39,327 104,328 4.758,329 3.521,330 7.064,331 4.336,332 3.348,333 4.708,335 12.089,336 3.308,337 3.942,338 2.985,339 6.21,340 3.589,341 2.591,342 3.501,344 8.907,345 2.584,346 3.894,347 2.714,348 5.954,349 3.515,350 2.536,351 3.327,353 8.062,354 2.48,355 3.436,356 2.516,357 5.013,358 3.047,359 2.065,360 2.778,362 5.823,363 2.019,364 2.827,365 2.244,366 4.624,367 2.632,368 1.633,369 1.859,371 4.222,372 1.627,373 2.685,374 1.699,375 4.089,376 2.204,377 1.194,378 1.706,380 3.067,381 1.201,382 2.26,383 1.277,384 3.561,385 1.775,386 0.767,387 1.016,389 1.586,390 0.756,391 1.525,392 0.73,393 3.025,394 1.121,395 0.158,396 0.201,398 0.348,399 0.149,400 1.338,401 0.287,402 2.562,403 0.959,404 -0.047,405 -0.062,407 -0.098,408 -0.047,409 0.833,410 -0.066,411 2.354,412 0.511,413 -0.492,414 -0.649,416 -1.003,417 -0.491,418 0.525,419 -0.772,420 2,421 0.099,422 -0.888,423 -1,425 -2,426 -0.875,427 0.017,428 -0.881,429 1.89,431 -1,432 -1.227,434 -2.691,435 -1,437 -1,438 1.667,439 -0.257,440 -1.255,441 -1.544,443 -3.213,444 -1.187,445 -0.158,446 -1.062,447 1.45,448 -0.454,449 -1.343,450 -1.668,452 -3.489,453 -1.258,454 -0.338,455 -1.341,456 1.225,457 -0.654,458 -1.64,459 -2.001,461 -4.954,462 -1.62,463 8.5,464 0.472,465 0.618,466 0.034,467 22.75,468 1.264,469 12.5,470 0.694,471 10.25,472 0.569,473 14.231,474 0.791,475 19.7,476 0.579,477 16.078,478 0.893,479 4.393,480 0.244,481 4.075,482 0.226,483 0.294,485 0.471,490 0.836,491 0.956,492 0.866,493 0.951,494 0.82,495 0.92,496 0.563,497 0.868,498 0.667,499 0.859,500 0.575,501 0.795,502 0.566,503 1.14,504 0.816,505 1.13,506 0.584,507 1.037,508 0.903,509 1.102,510 0.898,511 1.085,512 0.842,513 1.006,514 1.388,515 1.198,516 1.282,517 1.198,518 1.306,519 1.217,520 1.258,521 1.075,522 1.264,523 1.09,524 1.233,525 1.164,526 0.853,527 1.233,528 1.195,529 1.251,530 0.885,531 1.28,532 1.57,533 0.039,534 0.78,535 0.048,536 1.804,537 0.233,538 4,540 2.667,541 2.188,542 1.92,543 0.924,544 0.403,548 2017,549 5839,550 1.901,551 47.1,552 10,553 3,555 1,556 2,561 1.6,562 1.688,563 2.561,564 0.32,566 1,568 1,570 45.615,571 1.342,572 3.382,573 4.175,574 4.374,575 4.433,576 4.433,577 1.907,578 3.503,579 4.143,580 2.63,581 402.454,582 7.098,583 3747.66,584 1,585 1,587 1,588 172.974,589 1.53,590 4.036,591 0.211,593 0.095,594 0.066,595 0.06,596 0.038,597 0.031,601 0.502,602 0.83,603 1,604 1.112,605 72.954,606 -0.101,607 0.139,608 -0.021,609 0.131,610 -0.117,611 0.08,612 0.019,613 0.186,614 0.199,615 0.198,616 0.015,617 0.226,618 0.155,619 -0.096,620 0.064,621 -0.089,622 0.103,623 -0.039,624 0.082,625 -0.109,626 0.056,627 -0.098,628 0.107,629 -0.037,630 -0.094,631 -0.226,632 -0.286,633 -0.243,634 -0.05,635 -0.291,636 -0.173,637 -0.143,638 -0.259,639 -0.158,640 -0.166,641 -0.213,642 -0.033,643 -0.332,644 -0.201,645 -0.332,646 -0.037,647 -0.303,648 -0.184,649 0.753,650 0.415,651 0.764,652 -0.221,653 0.71,654 1.995,655 4.088,656 0.556,657 10,658 1.001,659 1.116,660 3.249,661 10.556,662 0.66,663 2.996,664 3.367,665 3.689,666 3.989,667 4.22,668 4.277,669 4.22,670 3.989,671 3.738,672 3.466,673 3.795,674 0.628,675 244.31,676 2.996,677 4.554,678 5.434,679 6.351,680 7.256,681 8.179,682 9.091,683 10.014,684 10.929,685 11.852,700 2,701 3,706 5,708 11,709 1,721 2,724 34,726 12,727 2,728 19,730 35,731 15,732 10,733 7,734 3,735 1,737 2,738 3,743 3,751 11,752 4,753 1,754 1,758 1,759 1,764 1,767 16,768 3,769 2,770 3,777 0.5,778 3,789 2,793 1,810 1,815 3,819 18,826 2,831 1,839 8.8,841 2,842 1,846 10.667,847 6.983,848 4.028,849 2.058,850 2.49,851 1.4,852 0.896,853 3.203,854 8.723,855 3.277,856 3.961,857 4.656,858 5.334,859 5.961,860 6.326,861 6.653,862 6.847,863 7.041,864 6.891,865 0.75,866 33,867 6.676,869 2.875,870 0.006,871 8.056,872 12.432,874 10.182,876 2.556,877 46,878 0.001,881 164.795,882 81.031,885 110.512,888 81.031,889 275.307,891 26.476,893 28.429,894 133.707,895 14.703,897 153.024,899 164.795,900 81.031,901 110.512,904 164.795,905 110.512,908 26.476,909 43.131,910 11.424,912 164.795,913 110.512,914 81.031,917 164.795,918 14.703,919 66.329,921 110.512,922 164.795,923 110.512,924 81.031,926 0.594,927 0.372,928 0.214,929 0.119,930 14,931 8,932 0.057,933 2,934 1,935 1.2,936 2.736,937 134.079,938 0.2,939 10,940 73.059,944 12.748,945 4.523,946 1.954,947 1.497,948 110.512,949 5.617,954 1.352,956 85.367,957 356.338,958 25.5,962 11.088,963 0.58,967 34.051,968 37.95,969 0.264,970 0.665,971 0.821,972 0.86,973 0.871,974 0.871,975 4.53,976 0.158,977 5.476,978 1.586,979 4.043,980 4.644,982 6.389,983 4.022,984 5.796,985 -0.047,986 7.112,987 0.348,988 3.892,989 4.745,991 7.516,992 3.842,993 7.151,994 -0.492,995 8.849,996 -0.098,997 5.733,998 7.018,1000 10.67,1001 5.691,1002 8.548,1003 -0.888,1004 10.641,1005 -1.003,1006 6.347,1007 7.907,1009 12.581,1010 6.276,1011 9.977,1012 -1,1013 12.468,1014 -2,1015 7.744,1016 9.72,1018 15.298,1019 7.677,1020 11.429,1021 -1.255,1022 14.319,1023 -2.691,1024 8.689,1025 10.965,1027 17.537,1028 8.599,1029 12.901,1030 -1.343,1031 16.187,1032 -3.213,1033 9.939,1034 12.608,1036 20.107,1037 9.847,1038 3.348,1039 -1.64,1040 18.069,1041 -3.489,1042 11.029,1043 14.02,1045 22.488,1046 10.919,1047 2.591,1048 12.089,1049 19.961,1050 -4.954,1051 12.236,1052 15.6,1054 25.006,1055 12.118,1056 2.536,1057 8.907,1058 21.863,1059 4.708,1060 13.389,1061 17.087,1063 27.449,1064 13.257,1065 2.065,1066 8.062,1067 23.771,1068 3.501,1069 14.587,1070 18.645,1072 29.949,1073 14.445,1074 1.633,1075 5.823,1076 25.686,1077 3.327,1078 15.768,1079 20.166,1081 32.419,1082 15.612,1083 1.194,1084 4.222,1085 27.607,1086 2.778,1087 16.966,1088 21.717,1090 34.913,1091 16.8,1092 0.767,1093 3.067,1094 29.531,1095 1.859,1096 18.16,1097 23.253,1099 37.395,1100 17.981,1101 2190,1102 3801,1103 11.561,1104 22.455,1105 29.18,1106 30.757,1107 31.922,1108 28.606,1109 28.583,1110 38.191,1112 88.208,1113 28.248,1114 5.387,1115 5.521,1116 6.569,1117 5.336,1118 5.348,1119 7.708,1121 20.089,1122 5.308,1123 11.693,1124 1.536,1125 1.619,1126 1.68,1127 1.506,1128 1.504,1129 2.01,1131 4.643,1132 1.487,1133 4.123,1134 4.134,1135 4.092,1136 4.082,1137 7.453,1138 4.082,1139 3.639,1140 3.688,1141 3.539,1142 3.542,1143 6.527,1144 3.534,1145 3.527,1146 3.561,1147 3.415,1148 3.396,1149 6.401,1150 3.394,1151 3.162,1152 3.18,1153 3.054,1154 2.961,1155 4.783,1156 2.969,1157 3.065,1158 3.138,1159 2.883,1160 2.873,1161 4.229,1162 2.866,1163 2.874,1164 3.009,1165 2.73,1166 2.658,1167 3.993,1168 2.675,1169 2.852,1170 2.892,1171 2.499,1172 2.618,1173 3.712,1174 2.57,1175 2.564,1176 2.586,1177 2.405,1178 2.247,1179 3.467,1180 2.244,1181 0.25,1182 0.185,1183 0.372,1184 0.228,1185 0.176,1186 4.758,1187 0.248,1188 3.521,1190 7.064,1191 0.636,1192 4.336,1193 0.174,1194 3.348,1195 4.708,1197 12.089,1198 3.308,1199 2.095,1200 2.085,1201 2.161,1202 2.151,1203 1.381,1204 2.154,1205 1.652,1206 1.605,1207 1.893,1208 1.798,1209 1.069,1210 1.833,1211 1.502,1212 1.468,1213 1.688,1214 1.673,1215 0.793,1216 1.675,1217 1.089,1218 1.052,1219 1.417,1220 1.334,1221 0.469,1222 1.337,1223 1.049,1224 0.986,1225 1.376,1226 1.306,1227 0.413,1228 1.308,1229 0.934,1230 0.804,1231 1.264,1232 1.239,1233 0.308,1234 1.298,1235 0.794,1236 0.76,1237 1.042,1238 1.043,1240 1.047,1241 0.441,1242 0.378,1243 0.757,1244 0.882,1246 0.822,1247 3.664,1249 5.017,1251 6.592,1253 8.278,1255 10.025,1257 5.835,1262 19.973,1267 0.056,1272 21.359,1273 45.615,1274 115,1275 141.954,1276 148.709,1277 150.709,1278 150.709,1279 42.734,1280 6.232,1281 57.53,1282 57.53,1283 12,1284 12.36,1285 3.7,1286 2.907,1287 30.488,1288 42,1289 36,1290 0.402,1291 134.293,1292 232.07,1293 319.435,1294 2971,1296 13.447,1297 0.747,1298 0.594,1299 13.447,1300 10.689,1301 8.468,1302 0.446,1303 0.311,1304 5.856,1305 8.26,1306 5.568,1307 4.708,1308 8.468,1309 5.903,1310 7.858,1311 0.281,1312 0.173,1313 7.858,1314 4.846,1315 6.615,1316 0.17,1317 0.082,1318 6.615,1319 3.185,1320 5.719,1321 0.108,1322 0.044,1323 5.719,1324 2.33,1325 4.433,1326 0.066,1327 0.024,1328 4.433,1329 1.575,1330 0.574,1331 52.672,1332 0.294,1333 17.115,1334 1.303,1335 94,1336 274.035,1337 99.647,1338 267.236,1339 356.44,1340 246,1341 114,1342 253.788,1343 120.09,1344 262.344,1345 384.51,1346 245,1347 6.18}
{0 CHEMBL782,1 1.702,2 9.056,3 2.336,4 5.457,5 70.27,6 7.511,7 0.333,8 3.644,9 3.758,10 3.41,11 3.181,12 4.678,13 3.108,14 4.191,15 4.371,16 3.614,17 3.512,18 5.56,19 3.408,20 4.412,21 4.628,22 3.66,23 3.592,24 5.55,25 3.473,26 4.442,27 4.668,28 3.551,29 3.443,30 5.924,31 3.344,32 4.246,33 4.488,34 3.315,35 3.248,36 5.454,37 3.156,38 4.026,39 4.197,40 3.221,41 3.136,42 5.398,43 3.067,44 4.053,45 4.245,46 2.933,47 3.07,48 5.35,49 2.974,50 3.867,51 4.1,52 2.7,53 3.003,54 4.946,55 2.843,56 0.092,57 0.529,58 10.87,59 3.627,60 16.365,61 4.563,62 0.41,63 0.776,64 16.904,65 6.096,66 57.541,67 7.755,68 0.295,69 0.884,70 23.941,71 7.127,72 52.699,73 9.191,74 0.637,75 0.813,76 24.65,77 6.438,78 117.73,79 8.383,80 0.378,81 0.661,82 20.376,83 5.164,84 66.379,85 6.642,86 0.3,87 0.567,88 18.04,89 4.598,90 56.216,91 5.235,92 0.449,93 0.53,94 16.506,95 4.029,96 81.157,97 4.868,98 0.176,99 0.468,100 13.856,101 4.464,102 34.262,103 5.691,104 33,105 24,106 0.316,107 0.624,108 0.786,109 0.827,110 0.827,111 0.827,112 2.958,113 1.218,114 -2.67,115 -2.69,116 -2.61,118 33.3,119 2,120 2,124 1,137 4,138 1,139 1,151 1,162 7,165 1,169 4,170 1,171 1,174 7,179 4,184 3,187 4,191 2,192 5,195 2,197 4,204 5,209 4,217 7,222 4,231 3,236 1,239 2,245 3,250 1,253 4,267 5,272 416,273 11.516,274 11.516,275 11.516,276 11.516,277 11.516,278 10.322,279 10.738,280 7.059,281 11.733,282 8.837,283 8.837,284 8.837,285 8.837,286 8.837,287 6.964,288 8.122,289 3.32,290 9.18,291 3.468,292 1.806,293 0.931,294 0.709,295 0.709,296 0.709,297 3.582,299 1,300 1,301 1,302 318,303 3.873,307 68.005,314 1.401,315 28.003,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 40,327 163,328 4.854,329 4.689,330 7.306,331 4.309,332 3.389,333 4.704,334 1.629,335 12.497,336 3.087,337 3.846,338 3.497,339 5.246,340 3.425,341 2.429,342 3.399,343 0.142,344 6.48,345 2.418,346 3.574,347 2.558,348 5,349 3.215,350 2.237,351 2.754,353 5.904,354 2.165,355 3.058,356 1.787,357 4.562,358 2.62,359 1.633,360 2.253,362 4.516,363 1.609,364 2.622,365 1.72,366 3.58,367 2.511,368 1.507,369 1.612,371 2.993,372 1.509,373 2.5,374 1.048,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 1.761,383 1,384 3.108,385 1.662,386 0.692,387 0.716,389 1.164,390 0.667,391 1.12,392 0.639,393 2.663,394 0.793,395 -0.178,396 -0.203,398 -0.379,399 -0.17,400 1,401 0.26,402 2.366,403 0.678,404 -0.293,405 -0.333,407 -0.552,408 -0.284,409 1,410 -0.139,411 2,412 0.504,413 -0.554,414 -0.727,416 -1.322,417 -0.578,418 0.751,419 -0.4,420 2,422 -1,423 -1.405,425 -2.457,426 -1,427 0.5,428 -0.889,429 1.653,431 -1,432 -1.5,434 -3,435 -1,436 0.007,437 -1,438 1.624,439 -0.238,440 -1.239,441 -1.538,443 -3,444 -1.143,445 -0.093,446 -1,447 1.208,448 -0.289,449 -1.251,450 -1.93,452 -3.065,453 -1.246,454 -0.387,455 -1.326,456 0.871,457 -0.646,458 -1.624,459 -2,461 -3.905,462 -1.555,463 8.633,464 0.48,465 0.546,466 0.03,467 21,468 1.167,469 10.5,470 0.583,471 10.5,472 0.583,473 13.398,474 0.744,475 21.367,476 0.594,477 14.973,478 0.832,479 3.941,480 0.219,481 4.512,482 0.251,483 0.232,484 0.097,485 0.174,490 0.526,491 1.501,492 0.904,493 1.413,494 0.639,495 1.117,496 0.382,497 1.022,498 0.849,499 1.025,500 0.47,501 1.036,502 0.929,503 1.195,504 0.978,505 1.157,506 0.931,507 1.021,508 1.077,509 1.026,510 1.028,511 0.981,512 1.039,513 0.925,514 1.497,515 0.867,516 1.014,517 0.803,518 1.431,519 0.75,520 1.86,521 1.265,522 1.647,523 1.377,524 1.773,525 1.069,526 2.344,527 0.761,528 1.51,529 0.851,530 2.338,531 1.039,532 0.902,533 1.087,534 1.176,535 1.224,536 0.911,537 1.139,538 5,539 0.037,540 2.444,541 1.375,542 0.822,543 0.66,544 0.203,545 0.196,546 0.057,547 0.046,548 2476,549 7160,550 1.834,551 50,552 8,553 6,556 2,558 2,561 1.585,562 1.674,563 3.132,564 0.483,566 1,567 1,568 1,570 61.284,571 1.702,572 3.364,573 4.239,574 4.461,575 4.461,576 4.461,577 2.663,578 3.419,579 4.133,580 3.26,581 498.732,582 7.011,583 4802.44,584 1,585 1,587 1,588 186.117,589 1.676,590 4.051,591 0.278,592 0.009,593 0.102,594 0.06,595 0.039,596 0.039,597 0.013,598 0.018,599 0.006,600 0.008,601 0.571,602 0.5,603 1,604 2.367,605 77.533,606 0.082,607 -0.143,608 0.243,609 -0.084,610 -0.126,611 0.009,612 0.444,613 0.124,614 0.111,615 0.033,616 0.292,617 -0.016,618 -0.032,619 -0.163,620 0.08,621 -0.087,622 -0.047,623 -0.015,624 0.185,625 -0.066,626 0.02,627 -0.036,628 0.229,629 -0.01,630 -0.225,631 0.071,632 0.035,633 0.123,634 -0.157,635 0.156,636 -0.36,637 -0.188,638 -0.318,639 -0.196,640 -0.192,641 -0.12,642 -0.629,643 0.213,644 -0.469,645 0.057,646 -0.514,647 -0.184,648 -0.076,649 -0.144,650 -0.182,651 -0.177,652 -0.026,653 -0.113,654 4.692,655 4.815,656 0.333,657 13.679,658 1.009,659 1.135,660 1.439,661 2.07,662 0.642,663 2.944,664 3.219,665 3.296,666 3.401,667 3.466,668 3.434,669 3.135,670 2.996,671 2.708,672 2.398,673 5.182,674 0.6,675 270.39,676 2.944,677 4.443,678 5.22,679 6.071,680 6.878,681 7.74,682 8.56,683 9.43,684 10.256,685 11.13,686 5.6,693 2,701 4,706 2,708 6,724 36,726 9,727 1,728 18,730 36,731 12,732 6,733 2,734 4,737 1,738 1,742 1,743 2,749 2,751 7,752 5,754 3,756 1,758 3,761 1,763 1,764 1,767 18,768 5,769 2,770 6,771 1,773 2,777 1,778 3,789 1,810 1,813 1,815 2,819 18,823 1,827 3,828 2,839 8.3,842 3,846 10.75,847 6.75,848 4.125,849 2.236,850 1.281,851 1.231,852 0.925,853 5.476,854 6.834,855 3.219,856 3.773,857 4.082,858 4.515,859 4.874,860 4.997,861 4.849,862 4.455,863 4.353,864 3.791,865 1,866 23,867 6.917,869 3.057,870 0.006,871 8.19,872 12.459,874 9.697,876 2.69,877 48.417,878 0.001,881 188.338,882 77.55,883 34.416,885 69.458,887 5.807,888 71.742,889 257.796,890 34.416,891 17.65,892 41.591,893 43.712,894 69.458,895 4.736,896 4.276,897 188.338,899 188.338,900 106.158,901 69.458,902 5.807,904 164.795,905 93,908 59.241,909 46.917,910 5.807,912 188.338,913 103.874,914 77.55,916 5.807,917 188.338,918 16.187,919 55.555,920 34.416,921 69.458,922 188.338,923 103.874,924 77.55,926 0.569,927 0.3,928 0.142,929 0.074,930 9,931 5,932 0.139,933 5,935 1,936 2.956,937 112.009,939 6,940 69.059,943 1,944 14.839,945 6.642,946 4.902,948 103.874,949 6.307,954 1.042,956 34.416,957 369.761,958 24,960 -3.775,962 35.002,965 -0.691,967 36.331,968 40.866,969 0.329,970 0.651,971 0.82,972 0.863,973 0.863,974 0.863,975 4.425,976 -0.178,977 5.252,978 1.164,979 3.892,980 4.454,981 1.701,982 6.071,983 3.81,984 5.664,985 -0.293,986 6.836,987 -0.379,988 3.761,989 4.718,990 1.195,991 7.434,992 3.573,993 7.027,994 -0.554,995 8.555,996 -0.552,997 5.565,998 6.79,999 2.344,1000 10.405,1001 5.336,1002 8.44,1003 -1,1004 10.359,1005 -1.322,1006 6.236,1007 7.853,1008 2.262,1009 12.59,1010 5.861,1011 9.895,1012 -1,1013 12.221,1014 -2.457,1015 7.63,1016 9.551,1017 3.143,1018 15.237,1019 7.203,1020 11.378,1021 -1.239,1022 14.121,1023 -3,1024 8.636,1025 10.911,1026 3.301,1027 17.665,1028 8.061,1029 12.885,1030 -1.251,1031 16.049,1032 -3,1033 9.901,1034 12.505,1035 4.023,1036 20.228,1037 9.255,1038 3.389,1039 -1.624,1040 17.995,1041 -3.065,1042 11.039,1043 13.977,1044 4.321,1045 22.724,1046 10.261,1047 2.429,1048 12.497,1049 19.955,1050 -3.905,1051 12.268,1052 15.539,1053 4.946,1054 25.262,1055 11.404,1056 2.237,1057 6.48,1058 21.923,1059 4.704,1060 13.456,1061 17.055,1062 5.326,1063 27.778,1064 12.474,1065 1.633,1066 5.904,1067 23.898,1068 3.399,1069 14.676,1070 18.607,1071 5.892,1072 30.308,1073 13.601,1074 1.507,1075 4.516,1076 25.877,1077 2.754,1078 15.883,1079 20.141,1080 6.319,1081 32.83,1082 14.701,1083 1,1084 2.993,1085 27.859,1086 2.253,1087 17.102,1088 21.69,1089 6.852,1090 35.357,1091 15.825,1092 0.692,1093 2.275,1094 29.843,1095 1.612,1096 18.317,1097 23.232,1098 7.305,1099 37.882,1100 16.938,1101 2706,1102 4784,1103 10.92,1104 23.114,1105 25.761,1106 27.452,1107 27.1,1108 25.794,1109 25.774,1110 33.877,1111 3.542,1112 71.656,1113 24.911,1114 5.775,1115 6.689,1116 7.217,1117 5.357,1118 5.389,1119 7.704,1120 2.86,1121 19.814,1122 5.087,1123 11.168,1124 1.431,1125 1.525,1126 1.506,1127 1.433,1128 1.432,1129 1.882,1130 0.197,1131 3.981,1132 1.384,1133 4.076,1134 4.056,1135 4.736,1136 4.062,1137 7.718,1138 3.977,1139 3.738,1140 3.796,1141 3.729,1142 3.613,1143 7.429,1144 3.571,1145 3.657,1146 3.676,1147 3.559,1148 3.535,1149 6.999,1150 3.497,1151 3.354,1152 3.411,1153 3.263,1154 3.1,1155 4.704,1156 3.116,1157 3.066,1158 3.158,1159 2.854,1160 2.875,1161 4.241,1162 2.847,1163 2.957,1164 3.005,1165 2.781,1166 2.735,1167 3.954,1168 2.715,1169 2.854,1170 2.925,1171 2.687,1172 2.697,1173 3.828,1174 2.696,1175 2.483,1176 2.615,1177 2.144,1178 2.168,1179 3.674,1180 2.139,1181 0.27,1182 0.261,1183 0.406,1184 0.239,1185 0.188,1186 4.854,1187 0.261,1188 4.689,1189 0.09,1190 7.306,1191 0.694,1192 4.309,1193 0.172,1194 3.389,1195 4.704,1196 1.629,1197 12.497,1198 3.087,1199 1.97,1200 1.975,1201 2.025,1202 2.039,1203 1.255,1204 2.075,1205 1.706,1206 1.64,1207 1.972,1208 1.908,1209 1.195,1210 1.929,1211 1.54,1212 1.548,1213 1.621,1214 1.735,1215 0.784,1216 1.759,1217 1.281,1218 1.209,1219 1.531,1220 1.532,1221 0.738,1222 1.565,1223 1.068,1224 0.987,1225 1.295,1226 1.329,1227 0.403,1228 1.368,1229 0.886,1230 0.821,1231 1.181,1232 1.158,1233 0.242,1234 1.172,1235 0.852,1236 0.814,1237 1.043,1238 1.062,1239 0.218,1240 1.107,1241 0.485,1242 0.357,1243 0.84,1244 0.848,1246 0.886,1247 3.611,1249 4.89,1251 6.358,1253 7.916,1255 9.526,1257 3.851,1263 2.217,1264 4.465,1272 21.589,1273 61.284,1274 121.098,1275 152.608,1276 160.608,1277 160.608,1278 160.608,1279 54.806,1280 5.553,1281 75.27,1282 83.65,1283 6,1284 11.681,1285 3.322,1286 2.807,1287 41.901,1288 53,1289 66,1290 0.387,1291 143.484,1292 249.22,1293 341.86,1294 1313,1296 13.596,1297 0.755,1298 0.632,1299 13.846,1300 11.38,1301 8.454,1302 0.47,1303 0.406,1304 5.881,1305 7.385,1306 5.55,1307 4.735,1308 9.275,1309 7.311,1310 7.75,1311 0.323,1312 0.238,1313 9.051,1314 5.71,1315 5.296,1316 0.204,1317 0.143,1318 6.43,1319 3.721,1320 3.951,1321 0.136,1322 0.077,1323 5.009,1324 2.242,1325 2.6,1326 0.084,1327 0.049,1328 3.336,1329 1.504,1330 0.603,1331 61.345,1332 0.303,1333 18.395,1334 1.065,1335 84,1336 296.733,1337 131.01,1338 303.589,1339 392.5,1340 274,1341 92,1342 246.43,1343 146.889,1344 285.164,1345 407.3,1346 264,1347 4.6}
{0 CHEMBL81444,1 1.449,2 10.55,3 6.13,4 37.582,5 146.24,6 7.866,7 0.512,8 4.357,9 4.435,10 3.913,11 3.878,12 5.665,13 3.881,14 4.833,15 4.963,16 4.37,17 4.317,18 6.157,19 4.307,20 5.143,21 5.253,22 4.658,23 4.583,24 6.496,25 4.581,26 5.42,27 5.547,28 4.85,29 4.724,30 6.877,31 4.731,32 5.586,33 5.702,34 4.866,35 4.781,36 7.198,37 4.771,38 5.643,39 5.828,40 4.612,41 4.738,42 6.925,43 4.671,44 5.544,45 5.753,46 4.522,47 4.615,48 6.777,49 4.547,50 5.49,51 5.692,52 4.486,53 4.455,54 6.958,55 4.424,56 0.316,57 0.87,58 13.693,59 7.115,60 56.326,61 7.644,62 0.495,63 1.417,64 23.567,65 11.868,66 108.171,67 14.248,68 0.635,69 1.902,70 31.263,71 15.762,72 127.073,73 18.279,74 1.123,75 2.378,76 44.611,77 19.612,78 218.54,79 22.943,80 2.248,81 2.667,82 55.073,83 21.753,84 402.366,85 24.525,86 1.957,87 2.789,88 64.928,89 23.284,90 357.376,91 28.225,92 1.405,93 2.543,94 59.665,95 21.482,96 242.836,97 27.386,98 2.258,99 2.25,100 60.382,101 18.646,102 414.7,103 22.948,104 273,105 68,106 0.225,107 0.523,108 0.642,109 0.678,110 0.699,111 0.699,112 3.719,113 0.871,114 -3.83,115 -3.79,116 -3.6,118 42.9,119 6,121 2,137 2,138 12,139 6,150 2,158 2,161 2,162 21,163 2,166 2,169 2,171 10,174 28,175 2,179 2,183 2,184 20,185 2,187 29,188 2,192 2,195 2,196 2,197 22,198 4,200 30,201 6,204 6,207 4,208 7,209 24,212 29,213 6,217 6,221 2,222 22,225 24,226 8,231 8,236 16,237 2,239 16,240 6,245 6,248 2,249 4,250 16,253 14,254 4,259 4,263 2,264 18,267 17,268 2,269 1,272 2740,273 25.123,274 25.123,275 25.123,276 25.123,277 25.123,278 21.925,279 26.289,280 13.621,281 25.292,282 20.993,283 20.993,284 20.993,285 20.993,286 20.993,287 15.981,288 20.147,289 6.212,290 21.365,291 4.68,292 2.771,293 2.001,294 1.772,295 1.636,296 1.636,297 4.392,302 876,303 4.583,307 399.111,311 339.82,314 1.595,315 95.947,318 0.5,319 0.5,320 0.67,321 0.8,322 0.5,323 0.5,324 0.5,325 0.57,326 90,327 422,328 4.908,329 3.736,330 7.312,331 4.493,332 3.505,333 4.886,334 1.437,335 13.059,336 3.461,337 4.826,338 3.714,339 7.22,340 4.403,341 3.416,342 4.791,343 1.437,344 12.701,345 3.369,346 4.442,347 3.431,348 6.886,349 4.087,350 3.103,351 4.079,353 11.388,354 3.052,355 4.063,356 3.356,357 6.455,358 3.728,359 2.739,360 3.625,362 9.707,363 2.707,364 4.029,365 3.25,366 6.408,367 3.712,368 2.716,369 3.486,371 9.556,372 2.698,373 4.024,374 2.922,375 6.23,376 3.631,377 2.653,378 3.486,380 8.918,381 2.583,382 3.678,383 2.636,384 5.976,385 3.251,386 2.282,387 3.125,389 7.974,390 2.204,391 3.437,392 2.635,393 5.594,394 3.058,395 2.079,396 2.778,398 6.685,399 2.03,400 3.309,401 2.454,402 5.12,403 2.906,404 1.925,405 2.537,407 5.539,408 1.869,409 3.302,410 2.305,411 5.116,412 2.906,413 1.924,414 2.511,416 5.509,417 1.868,418 3.107,419 2.088,420 4.947,421 2.857,422 1.867,423 2.197,425 4.989,426 1.841,427 3.01,428 1.945,429 4.909,430 2.719,431 1.737,432 2.101,434 4.831,435 1.698,436 2.538,437 1.688,438 4.143,439 2.215,440 1.238,441 1.511,443 3.088,444 1.195,445 2.529,446 1.686,447 4.12,448 2.179,449 1.212,450 1.497,452 3.026,453 1.155,454 1.802,455 0.942,456 3.839,457 1.533,458 0.581,459 0.67,461 1.622,462 0.548,463 18.333,464 0.458,465 1.721,466 0.043,467 50,468 1.25,469 26,470 0.65,471 24,472 0.6,473 47.6,474 1.19,475 44.667,476 0.638,477 54.834,478 1.371,479 9.55,480 0.239,481 8.987,482 0.225,483 0.345,485 0.6,490 0.968,491 0.883,492 0.844,493 0.869,494 0.964,495 0.829,496 0.456,497 0.859,498 0.504,499 0.843,500 0.453,501 0.719,502 0.647,503 1.106,504 0.683,505 1.085,506 0.683,507 0.932,508 0.802,509 1.168,510 0.744,511 1.138,512 0.777,513 0.966,514 1.044,515 1.21,516 1.143,517 1.216,518 1.002,519 1.21,520 1.145,521 1.043,522 1.202,523 1.057,524 1.129,525 1.129,526 0.954,527 1.083,528 0.99,529 1.081,530 0.937,531 1.053,532 1.227,533 0.795,534 1.029,535 0.79,536 1.293,537 0.838,538 9,539 0.545,540 5.778,541 5.875,542 6.044,543 3.181,544 2.103,545 1.104,546 0.878,547 0.476,548 19031,549 63315,550 1.894,551 42.9,552 20,553 2,556 8,561 1.809,562 1.644,563 3.353,564 4.593,570 101.417,571 1.449,572 3.359,573 4.129,574 4.357,575 4.493,576 4.493,577 2.666,578 4.122,579 5.298,580 3.55,581 2768.7,582 9.4,583 43334.1,588 429.05,589 1.219,590 5.163,591 0.209,592 0.013,593 0.085,594 0.067,595 0.059,596 0.033,597 0.028,598 0.016,599 0.014,600 0.009,601 0.534,602 0.17,603 0.63,604 0.994,605 216.932,606 -0.175,607 0.247,608 -0.062,609 0.24,610 -0.194,611 0.146,612 0.142,613 0.242,614 0.3,615 0.26,616 0.156,617 0.314,618 0.061,619 -0.005,620 0.126,621 0.009,622 0.023,623 0.071,624 0.078,625 -0.113,626 0.14,627 -0.092,628 0.086,629 0.016,630 0.082,631 -0.18,632 -0.207,633 -0.209,634 0.097,635 -0.277,636 -0.151,637 -0.061,638 -0.213,639 -0.076,640 -0.155,641 -0.146,642 -0.079,643 -0.113,644 0.003,645 -0.099,646 -0.066,647 -0.038,648 -0.038,649 0.141,650 0.046,651 0.143,652 -0.043,653 0.125,654 3.284,655 5.603,656 0.5,657 36.55,658 1.022,659 1.119,660 2.603,661 6.776,662 0.657,663 3.784,664 4.234,665 4.615,666 5.004,667 5.303,668 5.501,669 5.71,670 5.82,671 5.938,672 6.052,673 6.676,674 0.644,675 550.6,676 3.784,677 5.407,678 6.326,679 7.286,680 8.228,681 9.189,682 10.139,683 11.1,684 12.054,685 13.014,700 4,701 2,706 14,708 22,716 2,721 6,724 70,726 24,727 4,728 43,730 73,731 30,732 20,733 18,734 2,735 2,737 4,738 6,743 6,751 22,752 8,753 2,754 2,758 2,761 2,767 30,768 10,769 8,770 10,777 0.5,778 10,789 4,793 2,808 2,810 2,815 6,819 40,826 8,831 2,839 14.3,841 8,842 2,846 24.333,847 14.267,848 8.556,849 4.129,850 4.793,851 1.549,852 0.868,853 7.447,854 13.519,855 4.043,856 4.804,857 5.533,858 6.275,859 6.955,860 7.471,861 8.006,862 8.477,863 8.964,864 9.411,865 0.857,866 88,867 15.259,869 7.285,870 0.006,871 8.35,872 26.903,874 22.793,876 2.85,877 114,881 258.964,882 109.5,885 391.757,888 109.5,889 650.721,891 52.951,893 18.952,894 393.576,895 35.776,897 258.964,899 258.964,900 109.5,901 391.757,904 258.964,905 391.757,908 52.951,909 56.549,912 258.964,913 391.757,914 109.5,917 258.964,918 37.596,919 71.904,921 391.757,922 258.964,923 391.757,924 109.5,926 0.615,927 0.388,928 0.23,929 0.13,930 34,931 22,932 0.068,933 5,934 2,935 1.2,936 4.129,937 455.141,938 0.2,939 20,940 168.877,944 29.425,945 10.124,946 4.265,947 -0.202,948 391.757,949 3.028,954 -4.821,956 341.467,957 760.221,958 56,962 24.409,965 -3.236,967 71.527,968 78.322,969 0.236,970 0.548,971 0.674,972 0.711,973 0.733,974 0.733,975 5.364,976 2.079,977 6.405,978 7.974,979 4.92,980 5.493,981 2.225,982 7.386,983 4.883,984 6.67,985 1.925,986 8.085,987 6.685,988 4.89,989 5.727,991 8.608,992 4.831,993 8.059,994 1.924,995 9.86,996 5.539,997 6.686,998 7.911,999 2.893,1000 11.805,1001 6.626,1002 9.485,1003 1.867,1004 11.686,1005 5.509,1006 7.391,1007 8.893,1009 13.793,1010 7.307,1011 10.939,1012 1.737,1013 13.544,1014 4.989,1015 8.772,1016 10.661,1017 3.588,1018 16.549,1019 8.687,1020 12.414,1021 1.238,1022 15.424,1023 4.831,1024 9.78,1025 11.968,1027 18.857,1028 9.675,1029 13.907,1030 1.212,1031 17.32,1032 3.088,1033 11.036,1034 13.598,1035 4.299,1036 21.466,1037 10.926,1038 3.505,1039 0.581,1040 19.228,1041 3.026,1042 12.17,1043 15.051,1045 23.909,1046 12.043,1047 3.416,1048 13.059,1049 21.146,1050 1.622,1051 13.394,1052 16.634,1053 5.016,1054 26.47,1055 13.258,1056 3.103,1057 12.701,1058 23.072,1059 4.886,1060 14.58,1061 18.152,1063 28.972,1064 14.429,1065 2.739,1066 11.388,1067 25.005,1068 4.791,1069 15.8,1070 19.723,1071 5.737,1072 31.52,1073 15.638,1074 2.716,1075 9.707,1076 26.944,1077 4.079,1078 17.01,1079 21.271,1081 34.048,1082 16.835,1083 2.653,1084 9.556,1085 28.887,1086 3.625,1087 18.234,1088 22.841,1089 6.46,1090 36.595,1091 18.046,1092 2.282,1093 8.918,1094 30.835,1095 3.486,1096 19.456,1097 24.402,1099 39.135,1100 19.256,1101 19059,1102 34920,1103 25.556,1104 45.966,1105 68.407,1106 70.442,1107 75.343,1108 67.489,1109 67.458,1110 88.382,1111 5.747,1112 221.095,1113 65.922,1114 5.592,1115 5.736,1116 6.312,1117 5.493,1118 5.505,1119 7.886,1120 2.873,1121 21.059,1122 5.461,1123 33.346,1124 1.591,1125 1.638,1126 1.752,1127 1.57,1128 1.569,1129 2.055,1130 0.134,1131 5.142,1132 1.533,1133 4.194,1134 4.199,1135 4.175,1136 4.153,1137 7.477,1138 4.157,1139 4.065,1140 4.069,1141 4.047,1142 4.019,1143 7.472,1144 4.025,1145 3.715,1146 3.743,1147 3.661,1148 3.632,1149 6.535,1150 3.633,1151 3.578,1152 3.635,1153 3.447,1154 3.46,1155 6.523,1156 3.447,1157 3.547,1158 3.577,1159 3.447,1160 3.404,1161 6.472,1162 3.405,1163 3.501,1164 3.52,1165 3.438,1166 3.365,1167 6.46,1168 3.375,1169 3.215,1170 3.216,1171 3.12,1172 2.994,1173 6.401,1174 3.01,1175 3.197,1176 3.193,1177 3.108,1178 2.929,1179 6.401,1180 2.965,1181 0.114,1182 0.087,1183 0.17,1184 0.104,1185 0.082,1186 4.908,1187 0.114,1188 3.736,1189 0.033,1190 7.312,1191 0.304,1192 4.493,1193 0.08,1194 3.505,1195 4.886,1196 1.437,1197 13.059,1198 3.461,1199 2.139,1200 2.135,1201 2.181,1202 2.19,1203 1.432,1204 2.185,1205 2.046,1206 2.041,1207 2.101,1208 2.109,1209 1.354,1210 2.104,1211 1.704,1212 1.675,1213 1.906,1214 1.832,1215 1.118,1216 1.856,1217 1.593,1218 1.538,1219 1.845,1220 1.759,1221 1.027,1222 1.791,1223 1.511,1224 1.478,1225 1.68,1226 1.692,1227 0.816,1228 1.683,1229 1.456,1230 1.43,1231 1.656,1232 1.634,1233 0.76,1234 1.635,1235 1.109,1236 1.082,1237 1.417,1238 1.378,1239 0.469,1240 1.355,1241 1.042,1242 1.033,1243 1.417,1244 1.373,1245 0.469,1246 1.314,1247 4.466,1249 5.883,1251 7.504,1253 9.233,1255 11.024,1257 10.034,1262 85.564,1267 -0.778,1272 45.05,1273 101.417,1274 235.101,1275 289.011,1276 305.011,1277 314.52,1278 314.52,1279 193.627,1280 8.726,1281 195.98,1282 195.98,1283 24,1284 13.498,1285 4.644,1286 3.807,1287 72.648,1288 162,1289 134,1290 0.227,1291 273.801,1292 490.74,1293 659.834,1294 71186,1296 30.116,1297 0.753,1298 0.568,1299 30.116,1300 22.704,1301 18.537,1302 0.431,1303 0.29,1304 12.339,1305 17.874,1306 11.819,1307 9.872,1308 18.537,1309 12.489,1310 18.503,1311 0.272,1312 0.155,1313 18.503,1314 10.571,1315 15.508,1316 0.155,1317 0.073,1318 15.508,1319 7.341,1320 14.565,1321 0.098,1322 0.039,1323 14.565,1324 5.732,1325 11.781,1326 0.059,1327 0.02,1328 11.781,1329 3.971,1330 0.342,1331 116.997,1332 0.198,1333 34.255,1334 0.672,1335 222,1336 722.669,1337 243.479,1338 694.561,1339 922.08,1340 634,1341 279,1342 667.515,1343 299.819,1344 678.669,1345 1014.54,1346 636,1347 7.046}
{0 CHEMBL817,1 1.701,2 9.333,3 2.496,4 6.231,5 81.733,6 7.415,7 0.273,8 3.819,9 3.94,10 3.557,11 3.34,12 4.8,13 3.277,14 4.402,15 4.587,16 3.797,17 3.714,18 5.667,19 3.622,20 4.708,21 4.936,22 3.897,23 3.883,24 5.747,25 3.767,26 4.782,27 5.04,28 3.731,29 3.748,30 6.056,31 3.617,32 4.553,33 4.828,34 3.55,35 3.469,36 5.698,37 3.365,38 4.218,39 4.391,40 3.545,41 3.357,42 5.534,43 3.293,44 4.319,45 4.502,46 3.351,47 3.344,48 5.641,49 3.267,50 4.143,51 4.333,52 3.167,53 3.325,54 5.31,55 3.224,56 0.115,57 0.644,58 12.481,59 4.177,60 15.806,61 5.393,62 0.444,63 0.985,64 20.3,65 6.951,66 58.306,67 9.31,68 0.435,69 1.216,70 30.521,71 8.922,72 55.299,73 12.241,74 0.708,75 1.137,76 33.414,77 8.578,78 120.885,79 12.398,80 0.586,81 0.851,82 26.304,83 6.345,84 77.241,85 8.95,86 0.3,87 0.719,88 23.012,89 5.66,90 53.516,91 6.41,92 0.596,93 0.7,94 23.36,95 5.277,96 99.201,97 6.068,98 0.27,99 0.64,100 17.906,101 5.551,102 50.252,103 6.883,104 17,105 30,106 0.303,107 0.585,108 0.72,109 0.771,110 0.771,111 0.771,112 3.102,113 1.174,114 -2.85,115 -2.86,116 -2.77,118 33.3,119 1,120 4,124 2,137 4,138 1,139 1,151 1,160 1,162 8,165 1,166 2,169 4,170 1,174 8,178 1,179 6,182 1,184 4,187 5,191 2,192 4,195 2,197 4,203 2,204 6,209 5,217 8,222 5,231 7,236 1,245 6,250 1,253 4,259 1,267 8,272 558,273 13.662,274 13.662,275 13.662,276 13.662,277 13.662,278 12.469,279 14.851,280 8.238,281 13.921,282 10.872,283 10.872,284 10.872,285 10.872,286 10.872,287 9.008,288 15.737,289 3.955,290 11.285,291 3.692,292 2.11,293 1.351,294 1.066,295 1.066,296 1.066,297 3.759,299 1,300 1,301 1,302 405,303 3.536,307 76.274,308 86.16,314 1.492,315 30.165,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 46.5,327 196,328 4.854,329 4.689,330 7.307,331 4.309,332 3.39,333 4.704,334 1.6,335 12.498,336 3.089,337 3.851,338 3.508,339 5.493,340 3.551,341 2.594,342 3.4,343 0.4,344 7.381,345 2.48,346 3.701,347 2.653,348 5.175,349 3.395,350 2.4,351 2.844,353 6.365,354 2.38,355 3.275,356 2.558,357 4.903,358 3.027,359 2.042,360 2.341,362 5.493,363 1.993,364 3.048,365 1.723,366 4.484,367 2.601,368 1.609,369 2.209,371 4.404,372 1.593,373 2.59,374 1.64,375 3.693,376 2.497,377 1.499,378 1.584,380 3.291,381 1.49,382 2.5,383 1.298,384 3.414,385 2.237,386 1.247,387 1.5,389 2.606,390 1.233,391 2.247,392 1,393 3.414,394 2,395 1,396 1.247,398 2.275,399 1,400 1.212,401 0.73,402 3.147,403 1.144,404 0.155,405 0.159,407 0.371,408 0.152,409 1.12,410 0.489,411 2.677,412 0.779,413 -0.2,414 -0.243,416 -0.444,417 -0.193,418 1,419 0.112,420 2.386,421 0.578,422 -0.42,423 -0.445,425 -1,426 -0.412,427 1,428 -0.287,429 2,430 0.521,431 -0.445,432 -0.489,434 -1.157,435 -0.428,436 0.555,437 -0.332,438 2,439 0.296,440 -0.734,441 -0.941,443 -1.721,444 -0.76,445 0.5,446 -0.413,447 2,449 -1,450 -1.5,452 -3,453 -1,454 0.479,455 -1,456 1.703,458 -1,459 -1.538,461 -3,462 -1,463 10.033,464 0.478,465 0.615,466 0.029,467 23.25,468 1.107,469 10.5,470 0.5,471 12.75,472 0.607,473 17.965,474 0.855,475 24.767,476 0.59,477 16.772,478 0.799,479 4.209,480 0.2,481 5.762,482 0.274,483 0.15,484 0.083,485 0.189,490 0.512,491 1.452,492 0.882,493 1.38,494 0.603,495 1.106,496 0.481,497 1.143,498 0.879,499 1.051,500 0.44,501 1.067,502 0.861,503 1.108,504 0.964,505 1.081,506 0.798,507 1.026,508 0.862,509 1.095,510 0.949,511 1.034,512 0.766,513 1.008,514 1.375,515 0.702,516 0.767,517 0.556,518 1.422,519 0.626,520 1.821,521 1.41,522 1.787,523 1.571,524 1.771,525 1.037,526 2.733,527 0.782,528 1.763,529 0.943,530 2.835,531 0.947,532 1.453,533 1.087,534 1.372,535 1.26,536 1.587,537 1.138,538 5.5,539 0.048,540 2.444,541 1.625,542 0.867,543 0.746,544 0.396,545 0.28,546 0.101,547 0.061,548 4219,549 10877,550 1.957,551 50,552 7,553 8,556 2,558 4,561 1.63,562 1.813,563 3.203,564 0.425,565 1,566 1,568 1,570 71.426,571 1.701,572 3.283,573 4.041,574 4.327,575 4.327,576 4.327,577 2.684,578 3.594,579 4.366,580 3.351,581 703.627,582 7.469,583 7573.32,584 1,585 1,587 1,588 226.477,589 1.582,590 4.3,591 0.25,592 0.006,593 0.081,594 0.052,595 0.035,596 0.036,597 0.018,598 0.016,599 0.006,600 0.006,601 0.506,602 0.5,603 1,604 0.665,605 95.59,606 0.125,607 -0.077,608 0.237,609 -0.073,610 -0.097,611 0.013,612 0.351,613 0.029,614 0.063,615 -0.008,616 0.282,617 -0.053,618 0.003,619 -0.051,620 0.035,621 -0.06,622 -0.012,623 -0.032,624 0.185,625 -0.162,626 0.025,627 -0.125,628 0.249,629 -0.074,630 -0.079,631 0.158,632 0.198,633 0.265,634 -0.11,635 0.254,636 -0.29,637 -0.269,638 -0.226,639 -0.228,640 -0.132,641 -0.056,642 -0.709,643 0.225,644 -0.46,645 0.116,646 -0.546,647 -0.082,648 -0.254,649 -0.07,650 -0.3,651 -0.155,652 -0.209,653 -0.126,654 4.742,655 5.073,656 0.619,657 15.361,658 1.008,659 1.138,660 1.622,661 2.632,662 0.64,663 3.135,664 3.434,665 3.555,666 3.714,667 3.807,668 3.871,669 3.611,670 3.555,671 3.497,672 3.434,673 5.573,674 0.598,675 311.45,676 3.135,677 4.654,678 5.451,679 6.308,680 7.124,681 7.987,682 8.809,683 9.676,684 10.503,685 11.373,686 7.1,689 1,693 2,701 4,706 2,708 6,724 42,726 9,727 1,728 22,730 43,731 14,732 6,733 2,734 4,737 2,738 2,742 1,743 1,746 4,749 4,751 7,752 7,754 3,756 1,758 3,761 1,763 1,764 1,767 21,768 6,769 2,770 7,771 1,773 3,776 1,777 1,778 3,789 1,790 1,810 2,813 1,815 1,819 21,823 1,827 6,828 2,832 1,839 7.1,842 3,846 11.583,847 7.45,848 4.625,849 2.611,850 1.135,851 1.184,852 0.953,853 5.48,854 7.302,855 3.367,856 3.902,857 4.208,858 4.638,859 4.975,860 5.124,861 4.987,862 4.687,863 4.7,864 4.505,865 1,866 31,867 8.081,869 3.65,870 0.006,871 8.02,872 14.909,874 12.206,876 2.52,877 52.917,881 223.651,882 75.899,883 37.295,885 69.458,887 5.807,888 70.092,889 293.109,890 37.295,891 8.825,892 48.643,893 43.712,894 69.458,895 7.738,896 4.276,897 223.651,899 223.651,900 107.387,901 69.458,902 5.807,904 176.567,905 116.542,908 60.47,909 46.917,910 5.807,912 223.651,913 106.753,914 75.899,916 5.807,917 223.651,918 23.362,919 49.732,920 34.293,921 69.458,922 223.651,923 106.753,924 75.899,926 0.579,927 0.311,928 0.156,929 0.081,930 13,931 6,932 0.07,933 3,935 1,936 3.295,937 148.866,939 13,940 80.239,943 1,944 16.117,945 7.14,946 4.899,948 106.753,949 6.357,954 1.044,956 34.293,957 406.303,958 28,960 -3.825,962 35.982,965 -0.711,967 42.316,968 47.78,969 0.315,970 0.609,971 0.749,972 0.802,973 0.802,974 0.802,975 4.6,976 1,977 5.468,978 2.606,979 4.111,980 4.585,981 1.701,982 6.271,983 4.032,984 5.812,985 0.155,986 7.034,987 2.275,988 3.892,989 4.771,990 1.195,991 7.526,992 3.701,993 7.156,994 -0.2,995 8.727,996 0.371,997 5.759,998 6.851,999 2.273,1000 10.509,1001 5.543,1002 8.547,1003 -0.42,1004 10.504,1005 -0.444,1006 6.347,1007 7.876,1008 2.196,1009 12.634,1010 5.979,1011 9.982,1012 -0.445,1013 12.339,1014 -1,1015 7.769,1016 9.573,1017 3.034,1018 15.277,1019 7.364,1020 11.448,1021 -0.734,1022 14.215,1023 -1.157,1024 8.721,1025 10.921,1026 3.189,1027 17.684,1028 8.163,1029 12.94,1030 -1,1031 16.123,1032 -1.721,1033 9.991,1034 12.512,1035 3.876,1036 20.242,1037 9.371,1038 3.39,1039 -1,1040 18.053,1041 -3,1042 11.1,1043 13.981,1044 4.168,1045 22.732,1046 10.342,1047 2.594,1048 12.498,1049 19.999,1050 -3,1051 12.324,1052 15.541,1053 4.763,1054 25.267,1055 11.485,1056 2.4,1057 7.381,1058 21.957,1059 4.704,1060 13.496,1061 17.057,1062 5.133,1063 27.782,1064 12.536,1065 2.042,1066 6.365,1067 23.924,1068 3.4,1069 14.711,1070 18.608,1071 5.675,1072 30.31,1073 13.659,1074 1.609,1075 5.493,1076 25.897,1077 2.844,1078 15.91,1079 20.142,1080 6.088,1081 32.832,1082 14.747,1083 1.499,1084 4.404,1085 27.874,1086 2.341,1087 17.124,1088 21.69,1089 6.599,1090 35.359,1091 15.866,1092 1.247,1093 3.291,1094 29.854,1095 2.209,1096 18.334,1097 23.232,1098 7.037,1099 37.883,1100 16.973,1101 4257,1102 7053,1103 14.099,1104 26.881,1105 31.767,1106 33.639,1107 32.969,1108 31.931,1109 31.873,1110 39.975,1111 4,1112 89.367,1113 30.823,1114 5.83,1115 6.689,1116 7.105,1117 5.371,1118 5.39,1119 7.704,1120 2.8,1121 19.825,1122 5.089,1123 10.858,1124 1.444,1125 1.529,1126 1.499,1127 1.451,1128 1.449,1129 1.817,1130 0.182,1131 4.062,1132 1.401,1133 4.078,1134 4.06,1135 4.736,1136 4.062,1137 7.718,1138 3.977,1139 3.841,1140 3.91,1141 3.73,1142 3.683,1143 7.429,1144 3.676,1145 3.694,1146 3.702,1147 3.71,1148 3.606,1149 6.999,1150 3.539,1151 3.383,1152 3.437,1153 3.338,1154 3.125,1155 4.705,1156 3.134,1157 3.278,1158 3.364,1159 3.057,1160 3.1,1161 4.371,1162 3.097,1163 3.102,1164 3.184,1165 2.941,1166 2.891,1167 3.954,1168 2.88,1169 2.994,1170 3.04,1171 2.838,1172 2.751,1173 3.828,1174 2.747,1175 2.854,1176 2.925,1177 2.687,1178 2.735,1179 3.674,1180 2.715,1181 0.221,1182 0.213,1183 0.332,1184 0.196,1185 0.154,1186 4.854,1187 0.214,1188 4.689,1189 0.073,1190 7.307,1191 0.568,1192 4.309,1193 0.14,1194 3.39,1195 4.704,1196 1.6,1197 12.498,1198 3.089,1199 1.97,1200 1.975,1201 2.025,1202 2.039,1203 1.336,1204 2.075,1205 1.712,1206 1.647,1207 1.975,1208 1.898,1209 1.197,1210 1.912,1211 1.637,1212 1.586,1213 1.86,1214 1.873,1215 1.174,1216 1.887,1217 1.524,1218 1.514,1219 1.538,1220 1.706,1221 0.768,1222 1.738,1223 1.148,1224 1.086,1225 1.366,1226 1.423,1227 0.528,1228 1.43,1229 0.94,1230 0.9,1231 1.253,1232 1.232,1233 0.421,1234 1.256,1235 0.886,1236 0.821,1237 1.181,1238 1.09,1239 0.338,1240 1.153,1241 0.819,1242 0.708,1243 1.088,1244 1.062,1245 0.218,1246 1.107,1247 3.807,1249 5.106,1251 6.575,1252 2.708,1253 8.126,1254 4.977,1255 9.723,1257 1.871,1263 5.787,1264 4.64,1268 1.771,1272 25.137,1273 71.426,1274 137.874,1275 169.722,1276 181.722,1277 181.722,1278 181.722,1279 52.267,1280 6.168,1281 78.51,1282 86.89,1283 13,1284 11.926,1285 3.322,1286 2.807,1287 39.368,1288 70,1289 66,1290 0.277,1291 162.069,1292 282.46,1293 387.209,1294 3304,1296 15.295,1297 0.728,1298 0.617,1299 15.545,1300 12.949,1301 9.971,1302 0.453,1303 0.391,1304 7.152,1305 8.809,1306 6.854,1307 5.74,1308 10.792,1309 8.606,1310 9.348,1311 0.312,1312 0.231,1313 10.648,1314 6.943,1315 6.706,1316 0.197,1317 0.14,1318 7.84,1319 4.771,1320 5.358,1321 0.134,1322 0.079,1323 6.406,1324 3.149,1325 3.717,1326 0.084,1327 0.05,1328 4.452,1329 2.195,1330 0.433,1331 71.017,1332 0.266,1333 21.004,1334 0.759,1335 104,1336 336.378,1337 153.424,1338 341.201,1339 447.36,1340 310,1341 116,1342 292.191,1343 174.08,1344 329.568,1345 472.42,1346 306,1347 4.73}
{0 CHEMBL82428,1 1.463,2 10.55,3 6.511,4 42.388,5 157.643,6 7.167,7 0.512,8 4.411,9 4.517,10 3.903,11 3.954,12 5.629,13 3.926,14 4.901,15 5.065,16 4.348,17 4.387,18 6.001,19 4.348,20 5.198,21 5.331,22 4.648,23 4.652,24 6.481,25 4.623,26 5.473,27 5.63,28 4.825,29 4.812,30 6.761,31 4.783,32 5.651,33 5.794,34 4.838,35 4.892,36 7.076,37 4.844,38 5.749,39 5.956,40 4.609,41 4.867,42 6.943,43 4.76,44 5.644,45 5.89,46 4.484,47 4.772,48 6.684,49 4.642,50 5.573,51 5.822,52 4.458,53 4.684,54 6.764,55 4.562,56 0.147,57 0.995,58 16.565,59 7.62,60 36.249,61 9.4,62 0.106,63 1.602,64 27.923,65 12.863,66 35.543,67 16.83,68 0.341,69 2.143,70 37.39,71 16.493,72 86.744,73 21.098,74 0.374,75 2.666,76 51.367,77 21.163,78 108.917,79 27.106,80 1.237,81 3.043,82 63.583,83 23.702,84 267.814,85 29.527,86 1.373,87 3.222,88 74.11,89 25.925,90 274.176,91 33.942,92 0.755,93 2.986,94 66.475,95 24.34,96 162.361,97 33.776,98 0.872,99 2.841,100 61.715,101 21.637,102 204.657,103 30.831,104 273,105 68,106 0.224,107 0.513,108 0.633,109 0.676,110 0.695,111 0.695,112 3.719,113 0.916,114 -3.55,115 -3.52,116 -3.36,118 42.1,119 8,121 2,137 2,138 12,139 6,149 2,162 21,171 12,174 30,183 2,184 20,187 31,196 2,197 24,200 32,208 7,209 28,212 35,221 2,222 22,225 30,236 16,239 24,249 4,250 18,253 20,263 2,264 18,267 21,272 2740,273 25.123,274 25.123,275 25.123,276 25.123,277 25.123,278 21.925,279 27.858,280 13.621,281 25.331,282 20.993,283 20.993,284 20.993,285 20.993,286 20.993,287 15.981,288 23.53,289 6.212,290 21.431,291 4.785,292 2.904,293 2.119,294 1.836,295 1.711,296 1.711,297 4.392,302 876,303 4.583,307 399.111,311 339.82,314 1.595,315 75.687,318 0.5,319 0.67,320 0.67,321 0.8,322 0.5,323 0.5,324 0.5,325 0.59,326 87,327 422,328 4.908,329 3.63,330 7.312,331 4.492,332 3.505,333 4.886,334 0.782,335 13.059,336 3.459,337 4.826,338 3.568,339 7.22,340 4.402,341 3.416,342 4.791,343 0.782,344 12.701,345 3.366,346 4.442,347 3.278,348 6.886,349 4.086,350 3.103,351 4.079,353 11.388,354 3.05,355 4.063,356 3.002,357 6.455,358 3.724,359 2.739,360 3.625,362 9.707,363 2.699,364 4.029,365 2.983,366 6.408,367 3.705,368 2.716,369 3.486,371 9.556,372 2.686,373 4.024,374 2.884,375 6.23,376 3.627,377 2.653,378 3.486,380 8.918,381 2.578,382 3.678,383 2.499,384 5.976,385 3.251,386 2.282,387 3.125,389 7.974,390 2.203,391 3.437,392 2.425,393 5.594,394 3.058,395 2.079,396 2.778,398 6.685,399 2.03,400 3.309,401 2.338,402 5.12,403 2.89,404 1.925,405 2.537,407 5.539,408 1.853,409 3.302,410 2.281,411 5.116,412 2.888,413 1.924,414 2.511,416 5.509,417 1.847,418 3.107,419 2.07,420 4.947,421 2.853,422 1.867,423 2.197,425 4.989,426 1.836,427 3.01,428 1.915,429 4.909,430 2.719,431 1.737,432 2.101,434 4.831,435 1.698,436 2.538,437 1.614,438 4.143,439 2.2,440 1.238,441 1.511,443 3.088,444 1.186,445 2.529,446 1.613,447 4.12,448 2.163,449 1.212,450 1.497,452 3.026,453 1.146,454 1.802,455 0.934,456 3.839,457 1.532,458 0.581,459 0.67,461 1.622,462 0.547,463 18.8,464 0.47,465 1.721,466 0.043,467 49.5,468 1.238,469 26,470 0.65,471 23.5,472 0.588,473 50.398,474 1.26,475 44.2,476 0.582,477 52.036,478 1.301,479 9.219,480 0.23,481 9.319,482 0.233,483 0.362,485 0.585,490 1.034,491 0.931,492 0.918,493 0.91,494 1.091,495 0.895,496 0.525,497 0.888,498 0.553,499 0.838,500 0.529,501 0.723,502 0.723,503 1.08,504 0.781,505 1.063,506 0.806,507 0.947,508 0.961,509 1.146,510 0.801,511 1.112,512 0.9,513 0.96,514 1.423,515 1.23,516 1.255,517 1.241,518 1.321,519 1.229,520 1.42,521 1.034,522 1.286,523 1.058,524 1.373,525 1.138,526 0.892,527 1.037,528 0.986,529 1.009,530 0.882,531 1.017,532 0.706,533 1.04,534 0.967,535 1.045,536 0.817,537 1.04,538 9,539 0.545,540 5.778,541 5.875,542 6.044,543 3.181,544 2.103,545 1.104,546 0.878,547 0.476,548 19031,549 51787,550 1.894,551 47.4,552 20,553 2,556 8,557 6,561 1.809,562 1.644,563 3.353,564 4.544,570 111.215,571 1.463,572 3.343,573 4.129,574 4.412,575 4.537,576 4.537,577 2.666,578 4.122,579 5.298,580 3.55,581 2768.7,582 9.4,583 43334.1,588 474.842,589 1.219,590 5.163,591 0.209,592 0.013,593 0.085,594 0.067,595 0.059,596 0.033,597 0.028,598 0.016,599 0.014,600 0.009,601 0.534,602 0.17,603 0.75,604 0.994,605 216.932,606 -0.163,607 0.23,608 -0.037,609 0.207,610 -0.214,611 0.126,612 0.058,613 0.206,614 0.323,615 0.267,616 0.063,617 0.332,618 0.101,619 0.048,620 0.115,621 0.027,622 0.037,623 0.071,624 0.033,625 -0.087,626 0.141,627 -0.056,628 0.064,629 0.043,630 -0.038,631 -0.184,632 -0.26,633 -0.222,634 0.008,635 -0.276,636 -0.178,637 -0.059,638 -0.272,639 -0.078,640 -0.178,641 -0.176,642 -0.059,643 -0.071,644 -0.013,645 -0.019,646 -0.049,647 -0.012,648 0.092,649 -0.028,650 0.006,651 -0.079,652 0.068,653 -0.052,654 2.169,655 5.844,656 0.5,657 36.55,658 1.002,659 1.123,660 2.316,661 5.364,662 0.654,663 3.784,664 4.234,665 4.615,666 5.004,667 5.303,668 5.501,669 5.71,670 5.82,671 5.938,672 6.052,673 6.676,674 0.622,675 544.7,676 3.784,677 5.407,678 6.326,679 7.286,680 8.228,681 9.189,682 10.139,683 11.1,684 12.054,685 13.014,686 2.6,695 2,700 4,701 2,706 14,708 22,711 2,721 6,724 76,726 24,727 4,728 43,730 79,731 32,732 20,733 18,734 2,735 2,737 4,738 6,743 8,751 22,752 10,753 2,754 2,757 2,761 2,767 36,768 8,769 8,770 8,773 2,777 0.5,778 6,789 4,793 2,810 2,815 8,819 40,826 6,831 2,839 7.9,841 6,846 24.333,847 16.033,848 8.556,849 4.571,850 4.793,851 1.549,852 0.899,853 7.499,854 13.519,855 4.043,856 4.804,857 5.533,858 6.275,859 6.955,860 7.471,861 8.006,862 8.477,863 8.964,864 9.411,865 0.857,866 88,867 15.087,869 6.902,870 0.006,871 8.05,872 27.639,874 23.363,876 2.55,877 102,881 329.591,882 130.844,883 63.344,885 256.1,888 130.844,889 585.691,890 63.344,891 70.602,893 18.952,894 261.614,895 99.12,897 329.591,899 329.591,900 194.188,901 256.1,904 329.591,905 256.1,908 133.946,909 60.242,912 329.591,913 319.444,914 130.844,917 329.591,918 41.29,919 89.554,921 319.444,922 329.591,923 319.444,924 130.844,926 0.615,927 0.388,928 0.23,929 0.13,930 34,931 22,932 0.063,933 5,934 2,935 1.2,936 4.129,937 455.141,938 0.2,939 20,940 168.877,944 29.501,945 10.167,946 4.287,947 1.297,948 319.444,949 3.51,954 0.156,956 319.444,957 779.879,958 56,961 16.653,965 -0.136,967 76.189,968 85.311,969 0.234,970 0.535,971 0.661,972 0.706,973 0.726,974 0.726,975 5.364,976 2.079,977 6.405,978 7.974,979 4.92,980 5.493,981 1.238,982 7.386,983 4.878,984 6.67,985 1.925,986 8.085,987 6.685,988 4.89,989 5.727,991 8.608,992 4.825,993 8.059,994 1.924,995 9.86,996 5.539,997 6.686,998 7.911,999 0.916,1000 11.805,1001 6.619,1002 9.485,1003 1.867,1004 11.686,1005 5.509,1006 7.391,1007 8.893,1009 13.793,1010 7.3,1011 10.939,1012 1.737,1013 13.544,1014 4.989,1015 8.772,1016 10.661,1017 0.651,1018 16.549,1019 8.679,1020 12.414,1021 1.238,1022 15.424,1023 4.831,1024 9.78,1025 11.968,1027 18.857,1028 9.666,1029 13.907,1030 1.212,1031 17.32,1032 3.088,1033 11.036,1034 13.598,1035 0.445,1036 21.466,1037 10.917,1038 3.505,1039 0.581,1040 19.228,1041 3.026,1042 12.17,1043 15.051,1045 23.909,1046 12.034,1047 3.416,1048 13.059,1049 21.146,1050 1.622,1051 13.394,1052 16.634,1053 0.295,1054 26.47,1055 13.248,1056 3.103,1057 12.701,1058 23.072,1059 4.886,1060 14.58,1061 18.152,1063 28.972,1064 14.42,1065 2.739,1066 11.388,1067 25.005,1068 4.791,1069 15.8,1070 19.723,1071 0.191,1072 31.52,1073 15.628,1074 2.716,1075 9.707,1076 26.944,1077 4.079,1078 17.01,1079 21.271,1081 34.048,1082 16.824,1083 2.653,1084 9.556,1085 28.887,1086 3.625,1087 18.234,1088 22.841,1089 0.121,1090 36.595,1091 18.035,1092 2.282,1093 8.918,1094 30.835,1095 3.486,1096 19.456,1097 24.402,1099 39.135,1100 19.244,1101 19059,1102 31560,1103 25.556,1104 49.682,1105 68.407,1106 68.728,1107 75.343,1108 67.457,1109 67.458,1110 88.382,1111 3.129,1112 221.095,1113 65.733,1114 5.592,1115 5.63,1116 6.312,1117 5.492,1118 5.505,1119 7.886,1120 1.565,1121 21.059,1122 5.459,1123 33.346,1124 1.591,1125 1.598,1126 1.752,1127 1.569,1128 1.569,1129 2.055,1130 0.073,1131 5.142,1132 1.529,1133 4.197,1134 4.204,1135 4.175,1136 4.158,1137 6.536,1138 4.161,1139 4.067,1140 4.075,1141 4.046,1142 4.024,1143 6.523,1144 4.028,1145 3.72,1146 3.749,1147 3.663,1148 3.638,1149 6.472,1150 3.639,1151 3.591,1152 3.654,1153 3.465,1154 3.469,1155 6.46,1156 3.457,1157 3.584,1158 3.645,1159 3.464,1160 3.458,1161 6.401,1162 3.452,1163 3.536,1164 3.585,1165 3.441,1166 3.424,1167 6.401,1168 3.423,1169 3.324,1170 3.388,1171 3.168,1172 3.142,1173 5.821,1174 3.136,1175 3.301,1176 3.363,1177 3.153,1178 3.112,1179 5.815,1180 3.108,1181 0.114,1182 0.084,1183 0.17,1184 0.104,1185 0.082,1186 4.908,1187 0.114,1188 3.63,1189 0.018,1190 7.312,1191 0.304,1192 4.492,1193 0.08,1194 3.505,1195 4.886,1196 0.782,1197 13.059,1198 3.459,1199 2.142,1200 2.137,1201 2.186,1202 2.192,1203 1.436,1204 2.189,1205 2.052,1206 2.045,1207 2.109,1208 2.113,1209 1.36,1210 2.11,1211 1.707,1212 1.679,1213 1.906,1214 1.833,1215 1.118,1216 1.856,1217 1.605,1218 1.546,1219 1.856,1220 1.773,1221 1.035,1222 1.804,1223 1.581,1224 1.528,1225 1.783,1226 1.752,1227 0.878,1228 1.766,1229 1.526,1230 1.482,1231 1.745,1232 1.689,1233 0.816,1234 1.71,1235 1.298,1236 1.231,1237 1.578,1238 1.524,1239 0.656,1240 1.539,1241 1.282,1242 1.214,1243 1.577,1244 1.512,1245 0.652,1246 1.531,1247 4.466,1249 5.883,1251 7.504,1253 9.233,1255 11.024,1257 13.781,1262 67.19,1267 -0.45,1272 47.287,1273 111.215,1274 254.102,1275 313.784,1276 335.294,1277 344.803,1278 344.803,1279 172.434,1280 8.726,1281 169.08,1282 169.08,1283 24,1284 13.498,1285 4.644,1286 3.807,1287 72.648,1288 162,1289 134,1290 0.227,1291 290.589,1292 512.18,1293 700.797,1294 71186,1296 30.116,1297 0.753,1298 0.6,1299 30.116,1300 23.993,1301 18.537,1302 0.431,1303 0.305,1304 13.025,1305 18.078,1306 12.332,1307 10.385,1308 18.537,1309 13.133,1310 18.503,1311 0.272,1312 0.165,1313 18.503,1314 11.21,1315 15.508,1316 0.155,1317 0.077,1318 15.508,1319 7.664,1320 14.565,1321 0.098,1322 0.041,1323 14.565,1324 6.045,1325 11.781,1326 0.059,1327 0.021,1328 11.781,1329 4.211,1330 0.342,1331 115.265,1332 0.198,1333 34.255,1334 0.672,1335 222,1336 599.564,1337 236.676,1338 595.268,1339 812,1340 546,1341 279,1342 608.435,1343 294.839,1344 627.177,1345 935.34,1346 588,1347 5.523}
{0 CHEMBL898,1 1.667,2 7.167,3 3.096,4 9.588,5 60.08,6 9.623,7 0.632,8 3.403,9 3.462,10 3.131,11 2.977,12 4.861,13 3.015,14 3.808,15 3.879,16 3.515,17 3.319,18 5.446,19 3.355,20 4.092,21 4.213,22 3.597,23 3.401,24 5.638,25 3.443,26 4.115,27 4.247,28 3.542,29 3.274,30 5.955,31 3.312,32 3.982,33 4.161,34 3.209,35 3.116,36 5.43,37 3.121,38 3.764,39 3.935,40 3.128,41 2.858,42 5.299,43 2.909,44 3.619,45 3.745,46 3.085,47 2.435,48 5.761,49 2.599,50 3.221,51 3.396,52 2.26,53 1.827,54 4.878,55 1.984,56 0.229,57 0.449,58 2.796,59 2.486,60 43.854,61 1.966,62 0.362,63 0.711,64 4.03,65 3.837,66 68.903,67 3.364,68 0.603,69 0.927,70 8.324,71 5.107,72 114.551,73 4.361,74 0.889,75 0.977,76 9.974,77 5.049,78 162.739,79 4.448,80 0.649,81 0.715,82 10.852,83 4.597,84 122.051,85 4.455,86 0.472,87 0.598,88 8.265,89 3.663,90 89.333,91 3.697,92 0.743,93 0.495,94 7.354,95 2.745,96 137.401,97 2.036,98 0.459,99 0.326,100 6.19,101 1.833,102 89.206,103 1.054,104 27,105 27,106 0.328,107 0.593,108 0.761,109 0.909,110 0.924,111 0.924,112 2.961,113 0.79,114 -5.22,115 -5.11,116 -4.78,118 50,137 6,138 3,139 3,150 1,158 1,161 1,162 7,163 1,166 1,169 1,171 3,174 10,175 1,179 1,184 3,185 1,187 9,188 2,192 2,195 1,196 1,197 3,200 6,201 2,204 2,209 3,212 4,213 1,217 1,222 2,226 2,231 2,236 4,272 348,273 11.569,274 11.569,275 11.569,276 11.569,277 11.569,278 9.882,279 7.689,280 6.639,281 11.721,282 9.323,283 9.323,284 9.323,285 9.323,286 9.323,287 6.834,288 5.398,289 3.108,290 9.623,291 3.033,292 1.684,293 0.827,294 0.077,297 3.607,300 1,301 1,302 262,303 2.449,307 114.828,314 1.093,315 40.557,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 42,327 129,328 4.456,329 3.614,330 6.52,331 4.072,332 3.086,333 4.155,334 1.437,335 10.19,336 3.038,337 4.206,338 3.244,339 6.282,340 3.812,341 2.836,342 3.807,344 9.236,345 2.758,346 3.656,347 2.79,348 5.234,349 3.24,350 2.284,351 3.047,353 6.467,354 2.166,355 3.315,356 2.649,357 4.751,358 2.874,359 1.903,360 2.547,362 4.97,363 1.822,364 3.104,365 2.221,366 4.68,367 2.665,368 1.736,369 2.309,371 4.702,372 1.588,373 2.703,374 1.404,375 3.97,376 2.219,377 1.239,378 1.795,380 3.215,381 1.207,382 2.532,383 1.31,384 3.606,385 2.005,386 1,387 1.475,389 2.42,390 0.994,391 1.455,392 0.574,393 2.823,394 1.092,395 0.161,396 0.198,398 0.37,399 0.146,400 1.056,401 0.434,402 2.359,403 0.642,404 -0.284,405 -0.354,407 -0.667,408 -0.255,409 0.795,410 0.235,411 2.316,412 0.361,413 -0.515,414 -0.621,416 -1.242,417 -0.426,418 0.659,419 0.123,420 2.169,421 0.18,422 -0.823,423 -1.098,425 -2,426 -0.806,427 0.409,428 -0.743,429 1.795,430 -0.018,431 -1,432 -1.416,434 -2.507,435 -0.981,436 0.126,437 -0.882,438 1.472,439 -0.227,440 -1.131,441 -1.435,443 -3.021,444 -1.033,445 -0.061,446 -1.131,447 1.371,448 -0.428,449 -1.345,450 -1.791,452 -3.534,453 -1.24,454 -0.229,455 -1.234,456 1.232,457 -0.633,458 -1.519,459 -1.998,461 -4.044,462 -1.364,463 8.071,464 0.448,465 0.6,466 0.033,467 24.75,468 1.375,469 14,470 0.778,471 10.75,472 0.597,473 10.241,474 0.569,475 19.529,476 0.751,477 18.474,478 1.026,479 5.341,480 0.297,481 3.145,482 0.175,483 0.195,485 0.434,488 2,490 0.713,491 0.721,492 0.633,493 0.779,494 0.726,495 0.714,496 0.581,497 0.949,498 0.617,499 1.045,500 0.567,501 0.952,502 0.993,503 1.082,504 0.977,505 1.104,506 0.986,507 1.06,508 0.865,509 0.931,510 1.046,511 1.077,512 0.86,513 1.151,514 1.023,515 0.865,516 1.125,517 0.94,518 1.046,519 1.033,520 0.972,521 1.078,522 0.875,523 1.128,524 0.976,525 1.022,526 1.284,527 1.196,528 1.135,529 1.059,530 1.249,531 1.01,532 2.221,533 1.229,534 1.909,535 0.865,536 2.265,537 1.003,538 4.5,540 2.667,541 1.625,542 0.987,543 0.736,544 0.506,545 0.153,546 0.156,548 2379,549 11432,550 1.931,551 30.8,553 6,556 2,561 1.59,562 1.742,563 2.865,564 0.429,568 1,570 43.351,571 1.667,572 3.017,573 3.873,574 4.624,575 4.7,576 4.7,577 2.261,578 3.837,579 4.143,580 2.962,581 453.114,582 7.049,583 4207.96,585 1,587 1,588 122.211,589 1.572,590 4.056,591 0.237,593 0.099,594 0.058,595 0.041,596 0.041,597 0.032,598 0.012,599 0.031,601 0.55,602 0.83,603 1,604 0.977,605 75.173,606 -0.1,607 0.075,608 -0.063,609 0.171,610 -0.13,611 0.121,612 0.063,613 -0.088,614 0.004,615 -0.091,616 0.081,617 -0.094,618 -0.155,619 -0.108,620 -0.142,621 -0.14,622 -0.147,623 -0.131,624 0.096,625 0.013,626 -0.093,627 -0.123,628 0.094,629 -0.201,630 -0.164,631 -0.031,632 -0.069,633 0.023,634 -0.179,635 0.041,636 -0.094,637 -0.233,638 0.191,639 -0.171,640 -0.088,641 0.046,642 0.14,643 -0.037,644 0.034,645 -0.113,646 0.178,647 -0.118,648 -0.682,649 -0.07,650 -0.559,651 0.088,652 -0.726,653 -0.03,654 2.989,655 5.52,656 0.667,657 10.667,658 1.055,659 1.13,660 3.993,661 15.944,662 0.694,663 2.996,664 3.332,665 3.555,666 3.761,667 3.932,668 3.951,669 3.932,670 3.829,671 3.807,672 3.466,673 4.42,674 0.713,675 250.21,676 2.996,677 4.533,678 5.371,679 6.248,680 7.106,681 7.986,682 8.85,683 9.731,684 10.598,685 11.478,701 6,706 6,708 12,716 1,721 1,723 2,724 26,726 13,727 2,728 19,730 27,731 13,732 12,733 6,734 6,735 1,737 2,738 2,751 13,754 1,758 1,761 1,764 1,765 2,767 8,768 5,769 2,770 5,777 1,778 3,789 2,808 1,810 2,817 2,819 18,826 2,838 2,839 11.5,841 2,842 1,846 10.333,847 4.602,848 3.944,849 1.352,850 2.409,851 1.396,852 0.915,853 3.194,854 8.499,855 3.296,856 3.932,857 4.494,858 5.051,859 5.59,860 5.825,861 6.135,862 6.386,863 6.683,864 6.771,865 0.8,866 28,867 6.701,869 3.033,870 0.006,871 8.759,872 11.566,874 9.255,876 3.259,877 58.667,881 70.627,882 85.566,885 110.512,886 29.92,888 85.566,889 181.138,890 29.92,893 56.857,894 111.421,895 27.799,896 29.92,897 70.627,899 70.627,900 85.566,901 140.432,904 100.547,905 110.512,909 85.566,912 100.547,913 110.512,914 85.566,917 70.627,918 28.709,919 56.857,921 140.432,922 70.627,923 140.432,924 85.566,926 0.594,927 0.343,928 0.176,929 0.091,930 13,931 7,932 0.074,933 2,935 1,936 2.89,937 126.374,939 12,940 75.059,944 12.368,945 4.649,946 2.453,948 140.432,949 6.644,954 -1.933,956 85.367,957 296.625,958 26,962 10.831,965 -1.322,967 27.425,968 29.384,969 0.355,970 0.642,971 0.824,972 0.984,973 1,974 1,975 4.522,976 0.161,977 5.389,978 2.42,979 4.007,980 4.615,981 1.635,982 6.209,983 3.946,984 5.767,985 -0.284,986 6.969,987 0.37,988 3.761,989 4.543,991 7.159,992 3.637,993 7.092,994 -0.515,995 8.647,996 -0.667,997 5.617,998 6.843,999 2.253,1000 10.222,1001 5.516,1002 8.449,1003 -0.823,1004 10.378,1005 -1.242,1006 6.111,1007 7.504,1009 11.951,1010 5.958,1011 9.833,1012 -1,1013 12.144,1014 -2,1015 7.513,1016 9.338,1017 2.922,1018 14.549,1019 7.379,1020 11.236,1021 -1.131,1022 13.933,1023 -2.507,1024 8.34,1025 10.348,1027 16.602,1028 8.166,1029 12.654,1030 -1.345,1031 15.738,1032 -3.021,1033 9.563,1034 11.974,1035 3.619,1036 19.022,1037 9.396,1038 3.086,1039 -1.519,1040 17.556,1041 -3.534,1042 10.542,1043 13.166,1045 21.215,1046 10.346,1047 2.836,1048 10.19,1049 19.384,1050 -4.044,1051 11.694,1052 14.687,1053 4.33,1054 23.564,1055 11.495,1056 2.284,1057 9.236,1058 21.22,1059 4.155,1060 12.742,1061 15.977,1063 25.817,1064 12.521,1065 1.903,1066 6.467,1067 23.061,1068 3.807,1069 13.866,1070 17.444,1071 5.047,1072 28.138,1073 13.636,1074 1.736,1075 4.97,1076 24.907,1077 3.047,1078 14.947,1079 18.788,1081 30.419,1082 14.699,1083 1.239,1084 4.702,1085 26.756,1086 2.547,1087 16.061,1088 20.227,1089 5.769,1090 32.73,1091 15.801,1092 1,1093 3.215,1094 28.608,1095 2.309,1096 17.158,1097 21.601,1099 35.025,1100 16.881,1101 2499,1102 5538,1103 11.849,1104 18.046,1105 28.959,1106 29.718,1107 30.296,1108 28.63,1109 28.49,1110 38.667,1111 2.873,1112 83.14,1113 27.442,1114 5.119,1115 5.614,1116 5.827,1117 5.072,1118 5.086,1119 7.155,1120 2.873,1121 16.987,1122 5.038,1123 11.069,1124 1.524,1125 1.564,1126 1.595,1127 1.507,1128 1.499,1129 2.035,1130 0.151,1131 4.376,1132 1.444,1133 4.019,1134 4.034,1135 3.987,1136 3.959,1137 8.211,1138 3.962,1139 3.786,1140 3.803,1141 3.751,1142 3.692,1143 8.191,1144 3.701,1145 3.277,1146 3.265,1147 3.235,1148 3.038,1149 7.475,1150 3.079,1151 3.016,1152 3.038,1153 2.975,1154 2.848,1155 6.469,1156 2.863,1157 2.897,1158 2.955,1159 2.813,1160 2.733,1161 6.35,1162 2.734,1163 2.659,1164 2.709,1165 2.569,1166 2.424,1167 4.655,1168 2.449,1169 2.648,1170 2.686,1171 2.497,1172 2.316,1173 4.349,1174 2.369,1175 2.087,1176 2.159,1177 1.847,1178 1.515,1179 3.597,1180 1.573,1181 0.235,1182 0.19,1183 0.343,1184 0.214,1185 0.162,1186 4.456,1187 0.219,1188 3.614,1189 0.076,1190 6.52,1191 0.536,1192 4.072,1193 0.16,1194 3.086,1195 4.155,1196 1.437,1197 10.19,1198 3.038,1199 1.981,1200 1.967,1201 2.05,1202 2.057,1203 1.181,1204 2.054,1205 1.746,1206 1.729,1207 1.837,1208 1.864,1209 0.913,1210 1.852,1211 1.122,1212 1.124,1213 1.247,1214 1.418,1215 0.228,1216 1.35,1217 0.939,1218 0.911,1219 1.129,1220 1.154,1221 0.189,1222 1.129,1223 0.859,1224 0.804,1225 1.089,1226 1.068,1227 0.136,1228 1.077,1229 0.56,1230 0.521,1231 0.823,1232 0.9,1234 0.892,1235 0.488,1236 0.459,1237 0.754,1238 0.85,1240 0.81,1243 0.49,1244 0.461,1246 0.452,1247 3.664,1249 4.99,1251 6.515,1253 8.13,1255 9.79,1259 26.28,1262 18.168,1272 18.545,1273 43.351,1274 78.437,1275 100.702,1276 120.211,1277 122.211,1278 122.211,1279 52.893,1280 6.089,1281 57.53,1282 57.53,1283 12,1284 12.016,1285 3.807,1286 3,1287 30.863,1288 47,1289 46,1290 0.337,1291 114.577,1292 206.97,1293 271.329,1294 2645,1295 7.7,1296 13.284,1297 0.738,1298 0.501,1299 11.544,1300 9.023,1301 8.486,1302 0.447,1303 0.263,1304 4.91,1305 8.047,1306 4.853,1307 3.987,1308 7.682,1309 5.005,1310 8.018,1311 0.297,1312 0.136,1313 6.856,1314 3.661,1315 6.258,1316 0.184,1317 0.073,1318 5.471,1319 2.469,1320 5.098,1321 0.121,1322 0.038,1323 4.354,1324 1.598,1325 3.709,1326 0.074,1327 0.021,1328 3.347,1329 1.031,1330 0.504,1331 54.381,1332 0.291,1333 17.711,1334 0.992,1335 92,1336 454.257,1337 106.194,1338 383.416,1339 484,1340 350,1341 107,1342 326.364,1343 118.718,1344 318.135,1345 462.41,1346 298,1347 4.77}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,118 42.6,119 1,123 1,124 5,137 10,138 4,139 2,140 3,141 1,144 1,150 1,162 11,165 1,166 7,169 3,171 5,174 12,178 1,179 6,184 5,187 7,191 1,192 13,196 1,197 6,200 3,204 9,209 3,212 5,216 1,217 6,220 4,222 2,225 11,230 1,231 3,234 1,236 2,239 13,244 2,245 5,250 4,253 11,259 8,264 2,267 6,272 2915,273 25.256,274 25.256,275 25.256,276 25.256,277 25.256,278 22.252,279 30.255,280 15.065,281 25.762,282 20.276,283 20.276,284 20.276,285 20.276,286 20.276,287 15.83,288 48.345,289 7.248,290 21.073,291 4.619,292 2.571,293 1.397,294 0.809,295 0.581,296 0.581,297 4.35,301 1,302 1361,303 3.317,307 678.363,314 2.71,315 24.81,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 78.5,327 619,328 4.315,329 3.573,330 6.185,331 3.93,332 2.959,333 3.96,334 1.058,335 9.244,336 2.89,337 4.24,338 3.072,339 6.115,340 3.858,341 2.876,342 3.87,343 0.916,344 8.969,345 2.818,346 4.165,347 3.043,348 6.033,349 3.787,350 2.798,351 3.759,352 0.8,353 8.628,354 2.765,355 3.82,356 2.87,357 5.588,358 3.604,359 2.658,360 3.263,361 0.4,362 7.698,363 2.52,364 3.74,365 2.687,366 5.313,367 3.344,368 2.392,369 3.117,370 0.172,371 6.87,372 2.27,373 3.544,374 2.462,375 5.204,376 3.267,377 2.32,378 2.784,380 6.483,381 2.183,382 3.434,383 2.335,384 5.127,385 3.087,386 2.123,387 2.551,389 6.246,390 2.046,391 3.203,392 2.27,393 4.806,394 2.861,395 1.928,396 2.486,398 5.438,399 1.786,400 3.033,401 1.869,402 4.413,403 2.731,404 1.773,405 2.052,407 4.415,408 1.697,409 2.857,410 1.829,411 4.15,412 2.412,413 1.441,414 2,416 3.703,417 1.398,418 2.744,419 1.543,420 4.047,421 2.282,422 1.265,423 1.806,425 3.364,426 1.276,427 2.709,428 1.262,429 3.541,430 2.207,431 1.238,432 1.75,434 2.792,435 1.197,436 2.5,437 1.146,438 3.429,439 2,440 1,441 1.5,443 2.387,444 1,445 2.5,446 1,447 3.414,448 1.967,449 1,450 1.5,452 2.275,453 0.965,454 2.5,455 1,456 3.414,457 1.961,458 1,459 1.5,461 2.275,462 0.958,463 17.633,464 0.477,465 0.814,466 0.022,467 51.25,468 1.385,469 26.5,470 0.716,471 24.75,472 0.669,473 29.967,474 0.81,475 38.767,476 0.57,477 41.044,478 1.109,479 10.312,480 0.279,481 7.718,482 0.209,483 0.076,485 0.301,490 0.848,491 1.433,492 0.808,493 1.104,494 0.626,495 0.972,496 0.991,497 0.994,498 0.919,499 0.878,500 0.591,501 0.877,502 1.061,503 1.208,504 1.096,505 1.165,506 0.867,507 1.137,508 0.973,509 1.042,510 0.968,511 1.04,512 0.971,513 1.011,514 1.198,515 0.876,516 0.825,517 0.754,518 1.213,519 0.747,520 0.988,521 0.96,522 1.076,523 1.036,524 1.053,525 1.059,526 0.958,527 0.93,528 0.951,529 0.966,530 1.182,531 0.964,532 1.025,533 1.05,534 0.997,535 1.062,536 1.329,537 1.041,538 7.5,539 0.206,540 3.556,541 1.875,542 1.791,543 0.938,544 0.726,545 0.668,546 0.358,547 0.262,548 25355,549 58418,550 2.133,551 45.6,552 3,553 23,555 3,556 2,561 1.776,562 2.037,563 4.006,564 0.135,570 99.834,571 1.468,572 3.516,573 4.69,574 5.278,575 5.506,576 5.506,577 3.506,578 4.703,579 5.178,580 4.179,581 2783.16,582 9.086,583 48375,588 413.947,589 1.241,590 5.159,591 0.183,592 0.006,593 0.063,594 0.033,595 0.037,596 0.018,597 0.015,598 0.015,599 0.008,600 0.007,601 0.385,602 0.33,603 0.75,604 0.435,605 208.703,606 -0.022,607 -0.243,608 0.063,609 -0.075,610 -0.021,611 -0.009,612 0.046,613 0.146,614 0.024,615 0.089,616 0.102,617 0.061,618 -0.097,619 -0.145,620 -0.151,621 -0.173,622 -0.002,623 -0.168,624 0.021,625 -0.089,626 0.03,627 -0.055,628 0.075,629 -0.019,630 -0.065,631 0.072,632 0.198,633 0.214,634 0.019,635 0.235,636 0.047,637 0.098,638 -0.115,639 -0.056,640 -0.036,641 -0.097,642 0.03,643 0.03,644 0.033,645 0.04,646 -0.028,647 0.037,648 0.066,649 -0.067,650 -0.022,651 -0.052,652 0.048,653 -0.049,654 1.809,655 5.93,656 0.811,657 52.079,658 0.995,659 1.128,660 2.907,661 8.452,662 0.671,663 3.738,664 4.043,665 4.277,666 4.5,667 4.754,668 4.736,669 4.868,670 4.997,671 5.069,672 5.165,673 9.44,674 0.635,675 493.67,676 3.738,677 5.273,678 6.107,679 6.965,680 7.812,681 8.671,682 9.522,683 10.381,684 11.235,685 12.095,686 10.3,689 2,693 1,694 1,696 3,701 13,702 3,706 8,708 24,714 1,718 1,724 68,726 25,727 2,728 41,730 72,731 29,732 21,733 5,734 7,735 1,737 5,738 5,743 1,751 22,752 7,754 1,758 1,761 1,767 31,768 8,769 2,770 8,773 7,777 1,778 1,782 1,783 1,789 5,806 2,810 5,815 2,819 37,827 5,828 2,832 2,839 1.5,842 1,846 18.167,847 12.75,848 8.083,849 3.987,850 4.413,851 1.525,852 1.005,853 7.739,854 12.824,855 4.007,856 4.575,857 5.103,858 5.635,859 6.188,860 6.321,861 6.701,862 7.07,863 7.413,864 7.753,865 1,866 56,867 13.659,869 5.724,870 0.006,871 7.595,872 26.45,874 21.544,876 2.095,877 77.5,881 341.362,882 177.271,883 92.627,885 25.145,888 177.271,889 366.507,890 92.627,891 17.222,892 28.539,893 94.762,894 115.519,895 72.414,896 1.899,897 306.049,899 341.362,900 269.898,901 25.145,904 341.362,905 25.145,908 93.422,909 126.119,910 50.357,912 341.362,913 117.772,914 177.271,917 341.362,918 38.145,919 145.375,920 36.022,921 75.502,922 341.362,923 117.772,924 177.271,926 0.579,927 0.33,928 0.172,929 0.1,930 26,931 11,932 0.097,933 7,935 1,936 4.937,937 345.14,939 30,940 184.75,944 24.883,945 11.508,946 6.507,948 117.772,949 24.532,950 13.135,954 6.558,956 36.022,957 636.405,958 54,962 12.93,965 -0.143,967 67.643,968 76.68,969 0.241,970 0.578,971 0.771,972 0.867,973 0.905,974 0.905,975 5.231,976 1.928,977 6.071,978 6.246,979 4.727,980 5.263,981 1.796,982 6.821,983 4.656,984 6.413,985 1.773,986 7.59,987 5.438,988 4.205,989 4.89,990 0.57,991 7.554,992 4.108,993 7.694,994 1.441,995 9.202,996 4.415,997 6.271,998 7.375,999 1.605,1000 10.61,1001 6.137,1002 9.003,1003 1.265,1004 10.868,1005 3.703,1006 6.538,1007 7.786,1008 0.581,1009 12.137,1010 6.39,1011 10.342,1012 1.238,1013 12.568,1014 3.364,1015 8.057,1016 9.747,1017 1.567,1018 14.679,1019 7.872,1020 11.701,1021 1,1022 14.29,1023 2.792,1024 8.703,1025 10.551,1026 0.515,1027 16.554,1028 8.511,1029 13.075,1030 1,1031 16.03,1032 2.387,1033 9.976,1034 12.256,1035 1.582,1036 18.895,1037 9.751,1038 2.959,1039 1,1040 17.781,1041 2.275,1042 10.818,1043 13.281,1044 0.441,1045 20.936,1046 10.586,1047 2.876,1048 9.244,1049 19.542,1050 2.275,1051 11.974,1052 14.844,1053 1.624,1054 23.192,1055 11.714,1056 2.798,1057 8.969,1058 21.311,1059 3.96,1060 12.919,1061 16,1062 0.373,1063 25.314,1064 12.648,1065 2.658,1066 8.628,1067 23.086,1068 3.87,1069 14.02,1070 17.479,1071 1.682,1072 27.535,1073 13.725,1074 2.392,1075 7.698,1076 24.865,1077 3.759,1078 15.019,1079 18.715,1080 0.314,1081 29.696,1082 14.711,1083 2.32,1084 6.87,1085 26.65,1086 3.263,1087 16.094,1088 20.144,1089 1.752,1090 31.904,1091 15.765,1092 2.123,1093 6.483,1094 28.437,1095 3.117,1096 17.122,1097 21.429,1098 0.264,1099 34.085,1100 16.777,1101 23469,1102 35900,1103 28.027,1104 45.631,1105 61.129,1106 61.824,1107 61.655,1108 60.676,1109 60.636,1110 79.069,1111 6.694,1112 168.484,1113 58.468,1114 5.315,1115 5.573,1116 5.987,1117 5.001,1118 4.959,1119 6.96,1120 2.117,1121 15.558,1122 4.89,1123 14.663,1124 1.491,1125 1.508,1126 1.504,1127 1.48,1128 1.479,1129 1.929,1130 0.163,1131 4.109,1132 1.426,1133 4.028,1134 4.068,1135 3.978,1136 3.932,1137 7.429,1138 3.936,1139 3.942,1140 3.983,1141 3.891,1142 3.852,1143 5.049,1144 3.855,1145 3.893,1146 3.932,1147 3.833,1148 3.814,1149 4.842,1150 3.816,1151 3.794,1152 3.855,1153 3.684,1154 3.604,1155 4.74,1156 3.614,1157 3.667,1158 3.724,1159 3.611,1160 3.505,1161 4.684,1162 3.524,1163 3.412,1164 3.467,1165 3.335,1166 3.214,1167 4.378,1168 3.235,1169 3.242,1170 3.335,1171 3.084,1172 3.036,1173 4.052,1174 3.031,1175 3.111,1176 3.206,1177 2.962,1178 2.941,1179 3.963,1180 2.91,1181 0.105,1182 0.087,1183 0.151,1184 0.096,1185 0.072,1186 4.315,1187 0.097,1188 3.573,1189 0.026,1190 6.185,1191 0.225,1192 3.93,1193 0.07,1194 2.959,1195 3.96,1196 1.058,1197 9.244,1198 2.89,1199 1.957,1200 1.929,1201 2.065,1202 2.075,1203 1.323,1204 2.073,1205 1.918,1206 1.886,1207 2.028,1208 2.05,1209 1.16,1210 2.045,1211 1.877,1212 1.846,1213 1.979,1214 1.995,1215 1.125,1216 1.994,1217 1.752,1218 1.681,1219 1.95,1220 1.936,1221 1.027,1222 1.946,1223 1.608,1224 1.556,1225 1.728,1226 1.794,1227 0.825,1228 1.779,1229 1.344,1230 1.291,1231 1.591,1232 1.588,1233 0.735,1234 1.587,1235 1.223,1236 1.136,1237 1.546,1238 1.48,1239 0.691,1240 1.503,1241 1.153,1242 1.064,1243 1.513,1244 1.376,1245 0.619,1246 1.429,1247 4.419,1249 5.727,1251 7.225,1253 8.801,1255 10.416,1257 4.158,1263 5.237,1264 6.294,1268 4.8,1272 43.186,1273 99.834,1274 239.113,1275 318.954,1276 358.928,1277 374.438,1278 374.438,1279 55.749,1280 8.411,1281 86.28,1282 86.28,1283 30,1284 12.647,1285 4.7,1286 3.807,1287 57.104,1288 209,1289 228,1290 0.128,1291 265.482,1292 456.33,1293 639.535,1294 68589,1296 25.614,1297 0.692,1298 0.573,1299 25.614,1300 21.185,1301 18.03,1302 0.44,1303 0.304,1304 12.293,1305 17.418,1306 11.937,1307 9.945,1308 18.03,1309 12.457,1310 16.198,1311 0.289,1312 0.168,1313 16.198,1314 9.392,1315 13.45,1316 0.189,1317 0.093,1318 13.45,1319 6.573,1320 10.811,1321 0.121,1322 0.048,1323 10.811,1324 4.278,1325 9.213,1326 0.08,1327 0.027,1328 9.213,1329 3.137,1330 0.21,1331 112.246,1332 0.189,1333 34.613,1334 0.329,1335 194,1336 510.627,1337 209.481,1338 506.189,1339 701.38,1340 476,1341 224,1342 521.411,1343 240.37,1344 535.987,1345 775.58,1346 502,1347 4.104}