"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","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.008","C.009","C.015","C.016","C.021","C.022","C.024","C.025","C.026","C.028","C.029","C.030","C.032","C.033","C.034","C.035","C.040","C.041","C.042","C.043","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_PL","CATS2D_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_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_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DP","CATS2D_07_LL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.086","Cl.089","Cl.090","CMC.50","CMC.80","CSI","DBI","D.Dtr03","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","DECC","DELS","Depressant.50","Depressant.80","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.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","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.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.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","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","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.069","N.070","N.072","N.075","NaaaC","NaaCH","NaaN","NaaNH","NaasC","NaasN","nAB","nArCOOH","nArNH2","nArNHR","nArOH","nArX","nAT","nBM","nBnz","nBO","nBT","nC","nCar","nCb.","nCbH","nCconj","nCH2RX","nCIC","nCIR","nCL","nCONN","nCp","nCq","nCrq","nCrs","nCrt","nCs","nCsp","nCsp2","nCsp3","nCt","nDB","NdCH2","NddssS","NdO","NdsCH","NdssC","Neoplastic.50","Neoplastic.80","nH","nHAcc","nHDon","nHet","nHM","nImidazoles","nN","nN.CO.2","NNRS","nO","nOHp","nOHs","nOxolanes","nPyrazoles","nPyridines","nPyrimidines","nR03","nR05","nR06","nR07","nR08","nR.C.","nR.CH.X","nRCONHR","nRCONR2","nRCOOR","nR.Cp","nR.Cs","nROH","nROR","NRS","nS","NsCH3","NsCl","nSK","NsNH2","nSO2OH","NsOH","NssCH2","NssNH","NssO","NsssCH","NsssN","NssssC","nTB","NtCH","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","ON0","ON0V","ON1","ON1V","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_0d","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_0d","Psi_i_1","Psi_i_1d","Psi_i_A","Psi_i_s","Psi_i_t","Psychotic.50","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_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_MR_1","P_VSA_MR_2","P_VSA_MR_3","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_s_1","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_5","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaasC","SaasN","SAdon","SAtot","SCBO","SdCH2","SddssS","SdO","SdsCH","SdssC","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","SsCH3","SsCl","SsNH2","SsOH","SssCH2","SssNH","SssO","SsssCH","SsssN","SssssC","StCH","StsC","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50" {1 1.716,2 7.25,3 0.595,4 0.354,5 72.441,6 8.222,7 0.5,8 3.64,9 3.77,10 3.282,11 3.105,12 4.874,13 3.136,14 4.135,15 4.312,16 3.694,17 3.5,18 5.361,19 3.518,20 4.308,21 4.459,22 3.8,23 3.608,24 5.671,25 3.628,26 4.463,27 4.661,28 3.674,29 3.548,30 5.892,31 3.547,32 4.251,33 4.475,34 3.358,35 3.4,36 5.459,37 3.338,38 4.09,39 4.337,40 3.161,41 3.211,42 5.225,43 3.163,44 3.897,45 4.097,46 3.073,47 3.102,48 5.121,49 3.05,50 3.843,51 4.061,52 2.878,53 2.917,54 5.197,55 2.852,56 0.099,57 0.551,58 5.739,59 2.284,60 9.574,61 2.964,62 0.356,63 0.839,64 11.43,65 3.905,66 13.777,67 5.339,68 0.276,69 0.952,70 12.612,71 4.803,72 25.597,73 6.214,74 0.741,75 0.939,76 18.627,77 4.776,78 96.107,79 6.311,80 0.375,81 0.788,82 14.678,83 4.678,84 43.317,85 6.555,86 0.342,87 0.642,88 13.659,89 3.741,90 39.25,91 5.357,92 0.213,93 0.542,94 9.952,95 3.67,96 21.712,97 4.853,98 0.278,99 0.471,100 10.098,101 3.237,102 35.549,103 4.376,104 26,105 33,106 0.317,107 0.696,108 0.778,109 0.834,110 0.868,111 0.868,112 3.06,113 0.819,114 -2.55,115 -2.58,116 -2.52,117 39.4,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,144 1,145 1,146 1,150 4,152 4,153 1,155 2,157 3,158 4,160 2,161 3,162 2,166 4,167 2,169 2,170 2,171 2,174 3,176 2,181 1,182 1,183 5,185 1,186 1,187 1,188 1,190 1,193 6,203 5,205 1,206 1,212 3,214 2,215 2,222 1,224 1,225 1,231 392,232 13.069,233 13.069,234 13.069,235 13.069,236 13.069,237 11.613,238 14.589,239 7.31,240 13.358,241 10.771,242 10.771,243 10.771,244 10.771,245 10.771,246 8.347,247 17.037,248 3.44,249 11.21,250 3.328,251 1.281,252 0.834,253 0.531,254 0.349,255 0.349,256 3.728,261 1,262 308,263 2.121,265 36.796,266 106.341,269 71.737,270 1.15,271 26.867,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 44.5,282 145,283 4.606,284 3.968,285 6.94,286 4.272,287 3.321,288 4.24,289 1.761,290 11.561,291 3.155,292 4.182,293 3.385,294 6.21,295 3.821,296 2.85,297 3.709,298 1.083,299 9.215,300 2.769,301 3.797,302 3.007,303 5.851,304 3.392,305 2.429,306 3.162,307 0.526,308 7.744,309 2.331,310 3.582,311 2.681,312 5.845,313 3.287,314 2.324,315 2.777,316 0.064,317 7.555,318 2.223,319 3.411,320 2.262,321 5.027,322 3.057,323 2.088,324 2.645,326 5.951,327 2.014,328 2.797,329 1.685,330 4.228,331 2.325,332 1.353,333 1.916,335 3.645,336 1.313,337 2.554,338 1.662,339 4.029,340 2.054,341 1.071,342 1.565,343 2.544,344 1.049,345 2.331,346 1.302,347 3.631,348 1.809,349 0.872,350 1.204,351 2.513,352 0.809,353 1.936,354 1.014,355 3.465,356 1.532,357 0.53,358 0.695,359 1.344,360 0.524,361 1.69,362 0.805,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 0.944,370 -0.247,371 2.522,372 0.565,373 -0.4,374 -0.506,376 -0.89,377 -0.385,378 0.692,379 -0.426,380 2,381 0.273,382 -0.713,383 -0.941,385 -2.015,386 -0.702,387 0.36,388 -0.469,389 2,390 -0.023,391 -1,392 -1.2,394 -2.768,395 -0.947,396 0.109,397 -0.686,398 1.765,399 -0.261,400 -1.246,401 -1.485,403 -3.057,404 -1.225,406 -0.942,407 1.701,408 -0.304,409 -1.283,410 -1.718,412 -3.388,413 -1.253,414 9.167,415 0.458,416 0.686,417 0.034,418 28.25,419 1.413,420 14,421 0.7,422 14.25,423 0.713,424 12.599,425 0.63,426 21.433,427 0.649,428 20.789,429 1.039,430 5.801,431 0.29,432 3.685,433 0.184,434 0.225,436 0.469,437 0.828,438 1.536,439 0.712,440 1.08,441 0.653,442 0.884,443 0.555,444 0.872,445 0.606,446 0.7,447 0.534,448 0.658,449 0.887,450 1.448,451 0.853,452 1.34,453 0.882,454 1.131,455 1.446,456 0.924,457 1.213,458 0.838,459 1.504,460 0.952,461 0.877,462 1.002,463 1.112,464 1.131,465 0.805,466 1.164,467 1.158,468 0.795,469 1.03,470 0.762,471 0.982,472 0.83,473 0.952,474 1.087,475 1.022,476 1.256,477 0.996,478 1.187,479 1.103,480 1.03,481 1.173,482 1.24,483 1.204,484 1.244,485 4.5,487 3.111,488 1.847,489 1.744,490 0.692,491 0.428,492 0.276,493 0.186,494 0.031,495 3347,496 10540,497 2.018,498 39.4,500 10,503 3,507 1.622,508 1.818,509 2.896,510 1.201,512 1,514 1,515 56.644,516 1.716,517 3.764,518 4.211,519 4.514,520 4.696,521 4.696,522 2.271,523 3.584,524 4.296,525 3.005,526 570.977,527 7.357,528 5635.26,530 1,533 166.465,534 1.539,535 4.214,536 0.205,538 0.094,539 0.053,540 0.06,541 0.033,542 0.024,543 0.017,544 0.015,545 0.008,546 0.509,547 0.67,548 1,549 0.716,550 86.41,551 -0.146,552 -0.308,553 0.025,554 -0.075,555 -0.124,556 0.006,557 0.242,558 0.273,559 0.243,560 0.268,561 0.06,562 0.255,563 0.019,564 -0.341,565 -0.019,566 -0.35,567 0.01,568 -0.222,569 -0.107,570 0.051,571 -0.212,572 0.061,573 -0.078,574 -0.073,575 -0.022,576 -0.025,577 -0.155,578 -0.164,579 -0.011,580 -0.186,581 -0.222,582 0.132,583 -0.012,584 0.192,585 -0.095,586 0.163,587 -0.048,588 -0.141,589 -0.081,590 -0.22,591 -0.027,592 -0.172,593 -0.024,594 -0.135,595 -0.164,596 -0.256,597 0.013,598 -0.253,599 2.088,600 5.055,601 0.75,602 12.56,603 1.021,604 1.139,605 1.324,606 1.753,607 0.666,608 3.135,609 3.526,610 3.85,611 4.111,612 4.344,613 4.466,614 4.533,615 4.635,616 4.615,617 4.522,618 4.578,619 0.656,620 271.31,621 3.135,622 4.71,623 5.595,624 6.503,625 7.407,626 8.32,627 9.232,628 10.149,629 11.064,630 11.983,631 15.2,632 1,634 2,635 1,637 4,638 1,639 1,640 5,642 11,644 1,648 33,649 13,650 1,651 22,652 35,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,679 1,680 1,681 13,682 6,683 3,684 7,686 1,687 5,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 20,716 1,723 2,729 6.1,732 2,735 11,736 6.6,737 4.278,738 1.735,739 2.213,740 1.325,741 1.009,742 2.85,743 9.012,744 3.418,745 4.039,746 4.646,747 5.205,748 5.67,749 6.029,750 6.374,751 6.731,752 6.999,753 7.182,754 0.8,755 35,756 7.379,758 3.234,759 8.058,760 13.545,762 11.029,764 2.558,765 51.167,769 117.711,770 77.033,771 72.717,773 50.29,775 77.033,776 168.001,777 72.717,778 16.793,779 6.249,780 70.802,781 74.108,782 27.813,783 4.276,784 117.711,786 117.711,787 149.75,788 50.29,790 117.711,791 50.29,793 30.447,794 102.518,795 16.786,797 117.711,798 123.007,799 77.033,801 117.711,802 22.335,803 60.946,804 16.786,805 99.973,806 117.711,807 123.007,808 77.033,809 0.606,810 0.372,811 0.19,812 0.102,813 18,814 9,815 0.029,816 1,817 1,818 1.133,819 3.085,820 158.863,821 0.133,822 15,823 86.439,825 12.844,826 4.438,827 1.935,829 106.221,830 7.146,831 4.282,832 2.999,833 2.494,835 49.683,836 317.751,837 29.5,840 23.917,842 -0.82,843 33.698,844 37.571,845 0.34,846 0.746,847 0.835,848 0.895,849 0.931,850 0.931,851 4.689,852 0.872,853 5.631,854 2.544,855 4.205,856 4.723,857 2.197,858 6.518,859 4.126,860 5.927,861 0.53,862 7.252,863 2.513,864 4.007,865 4.649,866 1.404,867 7.542,868 3.883,869 7.26,870 0.177,871 8.97,872 1.344,873 5.883,874 6.916,875 2.804,876 10.688,877 5.716,878 8.628,879 -0.4,880 10.74,881 0.391,882 6.463,883 7.625,884 2.647,885 12.486,886 6.245,887 10.025,888 -0.713,889 12.543,890 -0.89,891 7.867,892 9.397,893 3.665,894 15.184,895 7.607,896 11.443,897 -1,898 14.369,899 -2.015,900 8.779,901 10.463,902 3.851,903 17.317,904 8.465,905 12.878,906 -1.246,907 16.21,908 -2.768,909 10.025,910 12.04,911 4.661,912 19.859,913 9.665,914 3.321,915 -1.283,916 18.064,917 -3.057,918 11.085,919 13.284,920 5.029,921 22.152,922 10.671,923 2.85,924 11.561,925 19.929,926 -3.388,927 12.28,928 14.777,929 5.726,930 24.634,931 11.817,932 2.429,933 9.215,934 21.802,935 4.24,936 13.409,937 16.112,938 6.188,939 27.004,940 12.89,941 2.324,942 7.744,943 23.683,944 3.709,945 14.591,946 17.569,947 6.825,948 29.462,949 14.022,950 2.088,951 7.555,952 25.57,953 3.162,954 15.752,955 18.951,956 7.336,957 31.871,958 15.127,959 1.353,960 5.951,961 27.462,962 2.777,963 16.934,964 20.394,965 7.94,966 34.321,967 16.258,968 1.071,969 3.645,970 29.36,971 2.645,972 18.11,973 21.801,974 8.477,975 36.748,976 17.379,977 3346,978 6041,979 14.046,980 21.983,981 34.955,982 36.632,983 36.45,984 34.126,985 34.028,986 44.303,987 6.869,988 104.927,989 32.727,990 5.552,991 5.968,992 6.492,993 5.345,994 5.321,995 7.24,996 3.071,997 19.561,998 5.155,999 11.701,1000 1.589,1001 1.665,1002 1.657,1003 1.551,1004 1.547,1005 2.014,1006 0.312,1007 4.769,1008 1.488,1009 4.06,1010 4.106,1011 4.034,1012 3.918,1013 7.444,1014 3.936,1015 3.834,1016 3.872,1017 3.782,1018 3.687,1019 7.411,1020 3.713,1021 3.483,1022 3.552,1023 3.421,1024 3.215,1025 5.123,1026 3.257,1027 3.271,1028 3.359,1029 3.146,1030 3,1031 4.905,1032 3.013,1033 3.039,1034 3.14,1035 2.896,1036 2.822,1037 4.437,1038 2.829,1039 2.926,1040 2.978,1041 2.783,1042 2.756,1043 4.065,1044 2.75,1045 2.795,1046 2.831,1047 2.579,1048 2.5,1049 3.919,1050 2.514,1051 2.737,1052 2.804,1053 2.571,1054 2.456,1055 3.579,1056 2.49,1057 0.209,1058 0.18,1059 0.315,1060 0.194,1061 0.151,1062 4.606,1063 0.193,1064 3.968,1065 0.08,1066 6.94,1067 0.526,1068 4.272,1069 0.143,1070 3.321,1071 4.24,1072 1.761,1073 11.561,1074 3.155,1075 1.908,1076 1.879,1077 2.009,1078 2.01,1079 1.09,1080 2.01,1081 1.714,1082 1.672,1083 1.82,1084 1.966,1085 0.903,1086 1.923,1087 1.337,1088 1.266,1089 1.608,1090 1.624,1091 0.664,1092 1.608,1093 1.193,1094 1.102,1095 1.418,1096 1.47,1097 0.473,1098 1.476,1099 1.123,1100 1.056,1101 1.349,1102 1.375,1103 0.374,1104 1.373,1105 0.978,1106 0.895,1107 1.265,1108 1.278,1109 0.187,1110 1.284,1111 0.7,1112 0.632,1113 0.984,1114 1.035,1116 0.986,1117 0.666,1118 0.625,1119 0.838,1120 0.947,1122 0.95,1123 3.807,1125 5.176,1126 2.398,1127 6.744,1128 4.727,1129 8.404,1130 6.88,1131 10.114,1132 3.018,1134 5.735,1140 2.395,1144 21.644,1145 56.644,1146 124.2,1147 138.955,1148 148.955,1149 154.955,1150 154.955,1151 35.415,1152 6.799,1153 98.7,1154 98.7,1155 17,1156 12.493,1157 3.807,1158 3.087,1159 29.838,1160 57,1161 48,1162 0.282,1163 134.763,1164 228.68,1165 320.581,1166 6632,1168 14.439,1169 0.722,1170 0.552,1171 14.439,1172 11.045,1173 9.486,1174 0.431,1175 0.273,1176 5.875,1177 9.011,1178 5.693,1179 4.757,1180 9.486,1181 6.004,1182 9.028,1183 0.274,1184 0.14,1185 9.028,1186 4.614,1187 8.182,1188 0.178,1189 0.071,1190 8.182,1191 3.261,1192 6.386,1193 0.106,1194 0.036,1195 6.386,1196 2.145,1197 4.983,1198 0.066,1199 0.018,1200 4.983,1201 1.348,1202 0.421,1203 60.42,1204 0.267,1205 19.337,1206 0.837,1207 110,1208 360.052,1209 124.669,1210 347.876,1211 473.95,1212 322,1213 134,1214 355.526,1215 150.447,1216 360.323,1217 532.19,1218 336,1219 6.046} {0 CHEMBL11048,1 1.784,2 8.773,3 0.946,4 0.895,5 74.499,6 8.832,7 0.458,8 3.681,9 3.781,10 3.369,11 3.148,12 4.988,13 3.197,14 4.171,15 4.32,16 3.79,17 3.54,18 5.577,19 3.579,20 4.349,21 4.475,22 3.902,23 3.658,24 5.8,25 3.701,26 4.512,27 4.675,28 3.78,29 3.595,30 6.047,31 3.625,32 4.321,33 4.534,34 3.4,35 3.435,36 5.562,37 3.39,38 4.068,39 4.291,40 3.252,41 3.232,42 5.239,43 3.2,44 3.922,45 4.078,46 3.3,47 3.137,48 5.424,49 3.142,50 3.947,51 4.136,52 3.01,53 3.003,54 5.295,55 2.976,56 0.176,57 0.542,58 4.865,59 2.545,60 19.125,61 2.725,62 0.49,63 0.843,64 10.413,65 4.09,66 46.656,67 4.914,68 0.419,69 0.964,70 11.096,71 5.223,72 46.43,73 5.833,74 0.93,75 0.979,76 17.298,77 5.127,78 126.064,79 5.341,80 0.586,81 0.811,82 15.633,83 5.037,84 78.449,85 6.328,86 0.404,87 0.635,88 12.774,89 4.221,90 55.022,91 5.596,92 0.4,93 0.556,94 8.736,95 3.402,96 37.697,97 4.018,98 0.42,99 0.497,100 10.786,101 3.739,102 60.826,103 4.311,104 38,105 36,106 0.326,107 0.702,108 0.749,109 0.781,110 0.835,111 0.835,112 3.147,113 0.799,114 -2.8,115 -2.81,116 -2.73,117 41.2,122 2,130 4,131 2,133 1,139 1,140 2,141 1,143 1,148 1,149 1,150 6,151 1,152 4,153 2,155 3,157 2,158 6,159 2,161 3,162 4,166 4,167 3,168 2,170 2,171 5,174 3,176 4,180 1,182 1,183 6,188 2,193 7,194 1,199 1,202 1,203 7,206 2,207 1,212 4,213 1,221 1,222 1,223 2,225 1,231 574,232 14.276,233 14.276,234 14.276,235 14.276,236 14.276,237 12.728,238 13.704,239 7.909,240 14.55,241 11.722,242 11.722,243 11.722,244 11.722,245 11.722,246 9.104,247 16.188,248 3.68,249 12.129,250 3.304,251 1.243,252 0.986,253 0.809,254 0.515,255 0.515,256 3.817,261 1,262 407,263 2.739,265 44.043,266 124.089,269 85.646,270 1.43,271 36.7,274 1,275 1,276 0.4,278 1,279 1,280 0.77,281 50,282 193,283 4.605,284 3.968,285 6.94,286 4.272,287 3.32,288 4.239,289 1.761,290 11.561,291 3.155,292 4.22,293 3.576,294 6.204,295 3.854,296 2.871,297 3.775,298 1.437,299 9.172,300 2.825,301 3.984,302 3.384,303 5.926,304 3.63,305 2.651,306 3.345,307 1.083,308 8.146,309 2.58,310 3.647,311 2.991,312 5.845,313 3.298,314 2.324,315 2.931,316 0.526,317 7.59,318 2.263,319 3.554,320 2.604,321 5.803,322 3.246,323 2.285,324 2.727,325 0.064,326 7.555,327 2.169,328 2.989,329 2.041,330 4.404,331 2.502,332 1.524,333 2.114,335 4.116,336 1.474,337 2.581,338 1.663,339 4.029,340 2.057,341 1.069,342 1.538,343 2.71,344 1.042,345 2.5,346 1.659,347 3.76,348 2,349 1,350 1.5,351 2.544,352 1,353 2.334,354 1.153,355 3.597,356 1.809,357 0.872,358 1.205,359 2.275,360 0.809,361 1.94,362 1,363 3.414,364 1.538,365 0.537,366 0.701,367 1.355,368 0.53,369 1.69,370 0.814,371 2.912,372 1.198,373 0.177,374 0.237,376 0.391,377 0.177,378 0.962,379 0.445,380 2.502,381 0.534,382 -0.464,383 -0.609,385 -1.12,386 -0.457,387 0.5,388 -0.36,389 2,391 -1,392 -1.194,394 -2,395 -0.945,396 0.435,397 -0.446,398 2,399 -0.006,400 -1,401 -1.336,403 -2.768,404 -0.968,405 0.36,406 -0.479,407 1.827,408 -0.023,409 -1,410 -1.482,412 -3,413 -1,414 9.933,415 0.452,416 0.775,417 0.035,418 30.5,419 1.386,420 15,421 0.682,422 15.5,423 0.705,424 14.221,425 0.646,426 23.667,427 0.696,428 23.954,429 1.089,430 6.368,431 0.289,432 4.029,433 0.183,434 0.235,436 0.483,437 0.798,438 1.529,439 0.659,440 1.094,441 0.648,442 0.877,443 0.483,444 0.805,445 0.572,446 0.672,447 0.466,448 0.639,449 0.818,450 1.425,451 0.793,452 1.321,453 0.779,454 1.111,455 1.387,456 0.95,457 1.337,458 0.901,459 1.364,460 1.048,461 0.978,462 0.957,463 1.192,464 1.013,465 0.884,466 1.124,467 0.798,468 0.948,469 0.852,470 0.909,471 0.715,472 0.892,473 0.793,474 0.997,475 0.988,476 1.12,477 0.847,478 1.125,479 1.272,480 1.006,481 1.25,482 1.204,483 1.331,484 1.227,485 5,486 0.106,487 3.778,488 1.972,489 1.744,490 0.928,491 0.503,492 0.303,493 0.236,494 0.176,495 4525,496 17255,497 1.991,498 35.3,500 10,503 2,507 1.644,508 1.784,509 3.108,510 0.438,512 1,514 1,515 60.651,516 1.784,517 3.844,518 4.102,519 4.278,520 4.572,521 4.572,522 2.534,523 3.641,524 4.429,525 3.259,526 752.741,527 7.607,528 8040.59,529 1,530 1,533 172.974,534 1.539,535 4.344,536 0.208,537 0.011,538 0.105,539 0.051,540 0.054,541 0.042,542 0.025,543 0.015,544 0.017,545 0.018,546 0.546,547 0.5,548 1,549 0.917,550 99.984,551 -0.142,552 -0.341,553 0.009,554 -0.088,555 -0.104,556 -0.011,557 0.243,558 0.354,559 0.228,560 0.283,561 0.137,562 0.257,563 -0.024,564 -0.331,565 -0.006,566 -0.332,567 0.003,568 -0.208,569 -0.241,570 0.059,571 -0.374,572 -0.004,573 -0.176,574 -0.181,575 -0.149,576 -0.001,577 -0.182,578 -0.046,579 -0.107,580 -0.098,581 -0.046,582 -0.025,583 0.182,584 0.1,585 0.004,586 0.2,587 0.117,588 0.016,589 -0.083,590 -0.139,591 0.06,592 -0.177,593 -0.232,594 -0.143,595 -0.2,596 -0.199,597 -0.225,598 -0.188,599 2.688,600 5.079,601 0.682,602 16.298,603 1.037,604 1.132,605 1.574,606 2.476,607 0.673,608 3.219,609 3.611,610 3.932,611 4.159,612 4.394,613 4.564,614 4.635,615 4.691,616 4.796,617 4.82,618 5.293,619 0.678,620 300.3,621 3.219,622 4.796,623 5.68,624 6.583,625 7.486,626 8.395,627 9.304,628 10.217,629 11.13,630 12.046,631 11.8,634 2,635 1,637 4,638 1,639 1,640 5,642 11,643 1,648 34,649 14,650 1,651 24,652 36,653 14,654 9,655 2,656 4,657 2,659 3,660 4,662 1,670 12,671 2,673 3,676 3,678 3,679 1,680 1,681 12,682 7,683 2,684 8,686 1,687 4,688 1,689 0.667,690 4,698 1,699 2,709 1,711 2,713 2,715 22,718 1,723 2,729 11.8,731 1,732 3,735 12.333,736 6.883,737 4.722,738 1.806,739 2.323,740 1.331,741 0.96,742 3.317,743 9.329,744 3.512,745 4.123,746 4.728,747 5.265,748 5.737,749 6.155,750 6.526,751 6.824,752 7.239,753 7.534,754 0.833,755 39,756 8.134,758 3.615,759 8.311,760 14.606,762 11.851,764 2.811,765 61.833,769 117.711,770 78.372,771 39.82,773 118.118,775 78.372,776 235.829,777 39.82,778 16.793,779 6.249,780 37.905,781 142.846,782 28.241,783 4.276,784 117.711,786 117.711,787 118.192,788 118.118,790 117.711,791 118.118,793 30.447,794 70.959,795 16.786,797 117.711,798 157.938,799 78.372,801 117.711,802 23.674,803 60.946,804 16.786,805 134.904,806 117.711,807 157.938,808 78.372,809 0.608,810 0.373,811 0.18,812 0.094,813 19,814 10,815 0.056,816 2,817 1,818 1.133,819 3.268,820 178.518,821 0.133,822 15,823 94.107,825 14.444,826 5.052,827 2.242,829 141.152,830 6.067,831 4.224,832 2.929,833 1.649,835 59.469,836 354.021,837 32.5,840 34.809,842 -1.955,843 35.251,844 38.492,845 0.351,846 0.756,847 0.806,848 0.841,849 0.899,850 0.899,851 4.785,852 1,853 5.72,854 2.71,855 4.29,856 4.808,857 2.575,858 6.605,859 4.223,860 6.026,861 0.872,862 7.345,863 2.544,864 4.111,865 4.758,866 1.404,867 7.644,868 4.006,869 7.361,870 0.537,871 9.067,872 2.275,873 5.974,874 6.998,875 3.22,876 10.765,877 5.83,878 8.73,879 0.177,880 10.839,881 1.355,882 6.567,883 7.73,884 2.647,885 12.564,886 6.38,887 10.128,888 -0.464,889 12.642,890 0.391,891 7.96,892 9.481,893 4.037,894 15.24,895 7.733,896 11.547,897 -1,898 14.466,899 -1.12,900 8.872,901 10.558,902 3.851,903 17.365,904 8.597,905 12.981,906 -1,907 16.305,908 -2,909 10.108,910 12.12,911 4.956,912 19.892,913 9.79,914 3.32,915 -1,916 18.155,917 -2.768,918 11.162,919 13.366,920 5.029,921 22.178,922 10.792,923 2.871,924 11.561,925 20.014,926 -3,927 12.349,928 14.849,929 5.945,930 24.651,931 11.93,932 2.651,933 9.172,934 21.881,935 4.239,936 13.469,937 16.181,938 6.188,939 27.016,940 12.996,941 2.324,942 8.146,943 23.756,944 3.775,945 14.644,946 17.63,947 6.98,948 29.47,949 14.12,950 2.285,951 7.59,952 25.636,953 3.345,954 15.797,955 19.008,956 7.336,957 31.876,958 15.218,959 1.524,960 7.555,961 27.523,962 2.931,963 16.974,964 20.445,965 8.048,966 34.323,967 16.34,968 1.069,969 4.116,970 29.414,971 2.727,972 18.144,973 21.847,974 8.477,975 36.749,976 17.455,977 4534,978 8939,979 15.145,980 22.886,981 38.294,982 40.136,983 39.846,984 37.356,985 37.26,986 48.626,987 9.742,988 114.832,989 36.046,990 5.551,991 5.968,992 6.354,993 5.345,994 5.32,995 7.239,996 3.198,997 19.561,998 5.155,999 14.1,1000 1.596,1001 1.672,1002 1.66,1003 1.556,1004 1.553,1005 2.026,1006 0.406,1007 4.785,1008 1.502,1009 4.063,1010 4.106,1011 4.038,1012 3.929,1013 7.475,1014 3.945,1015 3.852,1016 3.878,1017 3.81,1018 3.702,1019 7.444,1020 3.731,1021 3.505,1022 3.561,1023 3.457,1024 3.242,1025 7.411,1026 3.287,1027 3.277,1028 3.362,1029 3.174,1030 3.005,1031 6.351,1032 3.022,1033 3.219,1034 3.214,1035 3.146,1036 2.955,1037 4.951,1038 2.997,1039 2.894,1040 2.946,1041 2.744,1042 2.735,1043 4.59,1044 2.715,1045 2.854,1046 2.925,1047 2.687,1048 2.594,1049 4.066,1050 2.626,1051 2.794,1052 2.826,1053 2.571,1054 2.463,1055 3.919,1056 2.492,1057 0.192,1058 0.165,1059 0.289,1060 0.178,1061 0.138,1062 4.605,1063 0.177,1064 3.968,1065 0.073,1066 6.94,1067 0.482,1068 4.272,1069 0.131,1070 3.32,1071 4.239,1072 1.761,1073 11.561,1074 3.155,1075 1.92,1076 1.899,1077 2.011,1078 2.012,1079 1.111,1080 2.01,1081 1.714,1082 1.672,1083 1.82,1084 1.966,1085 0.903,1086 1.922,1087 1.362,1088 1.318,1089 1.608,1090 1.639,1091 0.664,1092 1.612,1093 1.215,1094 1.132,1095 1.42,1096 1.496,1097 0.479,1098 1.49,1099 1.123,1100 1.061,1101 1.349,1102 1.377,1103 0.389,1104 1.374,1105 0.937,1106 0.903,1107 1.181,1108 1.306,1109 0.218,1110 1.241,1111 0.886,1112 0.821,1113 1.088,1114 1.062,1116 1.107,1117 0.668,1118 0.631,1119 0.802,1120 1.034,1122 0.974,1123 3.892,1125 5.263,1126 2.398,1127 6.83,1128 4.727,1129 8.485,1130 6.88,1131 10.188,1132 2.93,1135 8.889,1140 2.291,1144 23.052,1145 60.651,1146 130.709,1147 139.464,1148 145.464,1149 155.464,1150 155.464,1151 47.606,1152 7.007,1153 109.98,1154 109.98,1155 17,1156 12.558,1157 3.907,1158 3.248,1159 34.534,1160 70,1161 70,1162 0.254,1163 142.626,1164 249.92,1165 339.767,1166 8724,1168 16.016,1169 0.728,1170 0.537,1171 16.016,1172 11.823,1173 10.397,1174 0.433,1175 0.266,1176 6.245,1177 9.817,1178 6.074,1179 5.049,1180 10.397,1181 6.393,1182 9.915,1183 0.275,1184 0.135,1185 9.915,1186 4.871,1187 8.964,1188 0.179,1189 0.07,1190 8.964,1191 3.506,1192 6.76,1193 0.107,1194 0.035,1195 6.76,1196 2.23,1197 5.181,1198 0.065,1199 0.018,1200 5.181,1201 1.413,1202 0.389,1203 66.75,1204 0.257,1205 21.347,1206 0.722,1207 120,1208 446.624,1209 138.071,1210 423.418,1211 563.73,1212 390,1213 146,1214 409.348,1215 164.936,1216 411.796,1217 608.42,1218 384,1219 5.602} {0 CHEMBL11054,1 1.754,2 7.25,3 1.074,4 1.154,5 69.435,6 8.509,7 0.5,8 3.62,9 3.729,10 3.285,11 3.083,12 4.884,13 3.124,14 4.111,15 4.273,16 3.7,17 3.473,18 5.385,19 3.506,20 4.291,21 4.426,22 3.804,23 3.574,24 5.696,25 3.61,26 4.426,27 4.607,28 3.678,29 3.505,30 5.902,31 3.525,32 4.219,33 4.427,34 3.365,35 3.36,36 5.494,37 3.314,38 4.046,39 4.271,40 3.167,41 3.168,42 5.236,43 3.139,44 3.846,45 4.027,46 3.081,47 3.048,48 5.138,49 3.018,50 3.816,51 4.006,52 2.909,53 2.853,54 5.31,55 2.816,56 0.134,57 0.517,58 5.141,59 2.372,60 11.681,61 2.752,62 0.377,63 0.802,64 10.468,65 3.835,66 15.009,67 4.862,68 0.361,69 0.903,70 11.741,71 4.83,72 34.209,73 5.684,74 0.793,75 0.903,76 17.157,77 4.621,78 101.365,79 5.488,80 0.468,81 0.749,82 13.808,83 4.491,84 50.727,85 5.997,86 0.386,87 0.601,88 12.812,89 3.826,90 45.108,91 5.012,92 0.269,93 0.502,94 9.053,95 3.472,96 24.094,97 4.335,98 0.381,99 0.423,100 9.699,101 3.307,102 48.402,103 4.125,104 26,105 33,106 0.326,107 0.712,108 0.782,109 0.84,110 0.875,111 0.875,112 3.06,113 0.81,114 -2.55,115 -2.58,116 -2.52,117 40.6,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,150 4,152 4,153 1,155 2,157 3,158 4,161 3,162 2,166 4,167 2,170 2,171 2,174 3,176 2,182 1,183 5,186 1,187 1,188 1,193 6,203 5,206 1,212 3,215 2,222 1,225 1,231 392,232 13.069,233 13.069,234 13.069,235 13.069,236 13.069,237 11.613,238 13.583,239 7.31,240 13.378,241 10.771,242 10.771,243 10.771,244 10.771,245 10.771,246 8.347,247 15.7,248 3.44,249 11.251,250 3.246,251 1.172,252 0.797,253 0.485,254 0.297,255 0.297,256 3.728,261 1,262 308,263 2.121,265 36.796,266 106.341,269 71.737,270 1.15,271 30.053,274 1,275 1,276 0.4,278 1,279 1,280 0.77,281 45,282 145,283 4.606,284 3.968,285 6.94,286 4.272,287 3.321,288 4.24,289 1.761,290 11.561,291 3.155,292 4.182,293 3.385,294 6.21,295 3.819,296 2.85,297 3.709,298 1.083,299 9.215,300 2.761,301 3.797,302 3.014,303 5.851,304 3.386,305 2.429,306 3.162,307 0.526,308 7.744,309 2.319,310 3.582,311 2.727,312 5.845,313 3.286,314 2.324,315 2.777,316 0.064,317 7.555,318 2.219,319 3.411,320 2.354,321 5.027,322 3.045,323 2.088,324 2.645,326 5.951,327 1.985,328 2.797,329 1.703,330 4.228,331 2.319,332 1.353,333 1.916,335 3.645,336 1.301,337 2.554,338 1.662,339 4.029,340 2.054,341 1.071,342 1.565,343 2.544,344 1.049,345 2.331,346 1.327,347 3.631,348 1.809,349 0.872,350 1.204,351 2.513,352 0.809,353 1.936,354 1.014,355 3.465,356 1.531,357 0.53,358 0.695,359 1.344,360 0.523,361 1.69,362 0.805,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 0.944,370 -0.057,371 2.522,372 0.534,373 -0.4,374 -0.506,376 -0.89,377 -0.367,378 0.692,379 -0.426,380 2,381 0.268,382 -0.713,383 -0.941,385 -2.015,386 -0.698,387 0.36,388 -0.469,389 2,390 -0.023,391 -1,392 -1.2,394 -2.768,395 -0.947,396 0.109,397 -0.677,398 1.765,399 -0.262,400 -1.246,401 -1.485,403 -3.057,404 -1.213,406 -0.942,407 1.701,408 -0.314,409 -1.283,410 -1.718,412 -3.388,413 -1.252,414 9.1,415 0.455,416 0.686,417 0.034,418 28.25,419 1.413,420 14,421 0.7,422 14.25,423 0.713,424 12.5,425 0.625,426 21.5,427 0.672,428 20.888,429 1.044,430 5.819,431 0.291,432 3.667,433 0.183,434 0.22,436 0.473,437 0.841,438 1.559,439 0.686,440 1.101,441 0.677,442 0.889,443 0.574,444 0.842,445 0.599,446 0.705,447 0.543,448 0.652,449 0.941,450 1.426,451 0.85,452 1.306,453 0.919,454 1.107,455 1.373,456 0.91,457 1.239,458 0.827,459 1.425,460 0.953,461 0.838,462 1.027,463 1.117,464 1.093,465 0.802,466 1.158,467 1.116,468 0.789,469 1.014,470 0.806,471 0.996,472 0.849,473 0.919,474 1.086,475 1.013,476 1.239,477 0.996,478 1.178,479 1.044,480 0.987,481 1.132,482 1.259,483 1.182,484 1.244,485 4.5,487 3.111,488 1.847,489 1.744,490 0.692,491 0.428,492 0.276,493 0.186,494 0.031,495 3347,496 11364,497 2.018,498 37.5,500 10,503 2,507 1.622,508 1.818,509 2.896,510 0.459,512 1,514 1,515 56.12,516 1.754,517 3.828,518 4.203,519 4.515,520 4.703,521 4.703,522 2.271,523 3.584,524 4.296,525 3.005,526 570.977,527 7.357,528 5635.26,529 1,530 1,533 160,534 1.539,535 4.214,536 0.205,538 0.094,539 0.053,540 0.06,541 0.033,542 0.024,543 0.017,544 0.015,545 0.008,546 0.509,547 0.67,548 1,549 0.716,550 86.41,551 -0.147,552 -0.366,553 0.018,554 -0.095,555 -0.116,556 -0.013,557 0.177,558 0.318,559 0.222,560 0.245,561 0.049,562 0.243,563 -0.038,564 -0.342,565 -0.026,566 -0.329,567 -0.026,568 -0.213,569 -0.157,570 0.092,571 -0.253,572 0.058,573 -0.113,574 -0.086,575 0.01,576 -0.045,577 -0.155,578 -0.135,579 -0.005,580 -0.179,581 -0.195,582 0.135,583 0.014,584 0.163,585 -0.097,586 0.167,587 -0.021,588 -0.142,589 -0.072,590 -0.216,591 -0.041,592 -0.17,593 0.11,594 -0.14,595 -0.089,596 -0.258,597 0.092,598 -0.233,599 2.12,600 5.031,601 0.75,602 12.56,603 1.029,604 1.134,605 1.324,606 1.753,607 0.67,608 3.135,609 3.526,610 3.85,611 4.111,612 4.344,613 4.466,614 4.533,615 4.635,616 4.615,617 4.522,618 4.578,619 0.667,620 272.29,621 3.135,622 4.71,623 5.595,624 6.503,625 7.407,626 8.32,627 9.232,628 10.149,629 11.064,630 11.983,631 12.5,634 2,635 1,637 4,638 1,639 1,640 5,642 11,646 1,648 32,649 13,650 1,651 22,652 34,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,679 1,680 1,681 12,682 6,683 2,684 7,686 1,687 4,688 1,689 0.667,690 3,698 1,699 2,711 2,713 2,715 20,718 1,723 2,729 9.4,731 1,732 2,735 11,736 6.467,737 4.278,738 1.701,739 2.213,740 1.325,741 0.966,742 2.85,743 9.012,744 3.418,745 4.039,746 4.646,747 5.205,748 5.67,749 6.029,750 6.374,751 6.731,752 6.999,753 7.182,754 0.8,755 35,756 7.391,758 3.267,759 8.158,760 13.453,762 10.958,764 2.658,765 53.167,769 117.711,770 74.276,771 39.82,773 92.973,775 74.276,776 210.684,777 39.82,778 16.793,779 6.249,780 37.905,781 116.791,782 25.056,783 4.276,784 117.711,786 117.711,787 114.096,788 92.973,790 117.711,791 92.973,793 30.447,794 66.864,795 16.786,797 117.711,798 132.793,799 74.276,801 117.711,802 19.579,803 60.946,804 16.786,805 109.759,806 117.711,807 132.793,808 74.276,809 0.606,810 0.372,811 0.19,812 0.102,813 18,814 9,815 0.029,816 1,817 1,818 1.133,819 3.085,820 158.863,821 0.133,822 15,823 86.439,825 12.844,826 4.438,827 1.935,829 116.007,830 6.496,831 4.227,832 2.944,833 1.707,835 59.469,836 324.78,837 29.5,840 23.872,842 -0.876,843 32.924,844 36.282,845 0.351,846 0.766,847 0.841,848 0.903,849 0.941,850 0.941,851 4.689,852 0.872,853 5.631,854 2.544,855 4.205,856 4.723,857 2.197,858 6.518,859 4.119,860 5.927,861 0.53,862 7.252,863 2.513,864 4.007,865 4.649,866 1.404,867 7.542,868 3.871,869 7.26,870 0.177,871 8.97,872 1.344,873 5.883,874 6.916,875 2.804,876 10.688,877 5.707,878 8.628,879 -0.4,880 10.74,881 0.391,882 6.463,883 7.625,884 2.647,885 12.486,886 6.233,887 10.025,888 -0.713,889 12.543,890 -0.89,891 7.867,892 9.397,893 3.665,894 15.184,895 7.596,896 11.443,897 -1,898 14.369,899 -2.015,900 8.779,901 10.463,902 3.851,903 17.317,904 8.453,905 12.878,906 -1.246,907 16.21,908 -2.768,909 10.025,910 12.04,911 4.661,912 19.859,913 9.655,914 3.321,915 -1.283,916 18.064,917 -3.057,918 11.085,919 13.284,920 5.029,921 22.152,922 10.66,923 2.85,924 11.561,925 19.929,926 -3.388,927 12.28,928 14.777,929 5.726,930 24.634,931 11.808,932 2.429,933 9.215,934 21.802,935 4.24,936 13.409,937 16.112,938 6.188,939 27.004,940 12.881,941 2.324,942 7.744,943 23.683,944 3.709,945 14.591,946 17.569,947 6.825,948 29.462,949 14.014,950 2.088,951 7.555,952 25.57,953 3.162,954 15.752,955 18.951,956 7.336,957 31.871,958 15.12,959 1.353,960 5.951,961 27.462,962 2.777,963 16.934,964 20.394,965 7.94,966 34.321,967 16.25,968 1.071,969 3.645,970 29.36,971 2.645,972 18.11,973 21.801,974 8.477,975 36.748,976 17.372,977 3346,978 6259,979 14.046,980 21.432,981 34.955,982 36.587,983 36.45,984 34.162,985 34.028,986 44.303,987 6.869,988 104.927,989 32.597,990 5.552,991 5.968,992 6.492,993 5.345,994 5.321,995 7.24,996 3.071,997 19.561,998 5.155,999 11.701,1000 1.589,1001 1.663,1002 1.657,1003 1.553,1004 1.547,1005 2.014,1006 0.312,1007 4.769,1008 1.482,1009 4.058,1010 4.102,1011 4.033,1012 3.912,1013 7.444,1014 3.932,1015 3.827,1016 3.856,1017 3.777,1018 3.681,1019 7.411,1020 3.707,1021 3.479,1022 3.544,1023 3.419,1024 3.212,1025 6.471,1026 3.253,1027 3.271,1028 3.358,1029 3.146,1030 2.999,1031 4.941,1032 3.013,1033 2.958,1034 2.991,1035 2.85,1036 2.763,1037 4.533,1038 2.773,1039 2.915,1040 2.964,1041 2.772,1042 2.745,1043 4.067,1044 2.741,1045 2.795,1046 2.83,1047 2.577,1048 2.497,1049 3.919,1050 2.511,1051 2.732,1052 2.795,1053 2.571,1054 2.455,1055 3.582,1056 2.489,1057 0.209,1058 0.18,1059 0.315,1060 0.194,1061 0.151,1062 4.606,1063 0.193,1064 3.968,1065 0.08,1066 6.94,1067 0.526,1068 4.272,1069 0.143,1070 3.321,1071 4.24,1072 1.761,1073 11.561,1074 3.155,1075 1.896,1076 1.873,1077 1.994,1078 2,1079 1.079,1080 1.996,1081 1.714,1082 1.672,1083 1.82,1084 1.963,1085 0.902,1086 1.922,1087 1.33,1088 1.261,1089 1.608,1090 1.615,1091 0.664,1092 1.603,1093 1.186,1094 1.099,1095 1.408,1096 1.458,1097 0.471,1098 1.46,1099 1.123,1100 1.055,1101 1.339,1102 1.373,1103 0.369,1104 1.37,1105 0.883,1106 0.839,1107 1.136,1108 1.138,1109 0.145,1110 1.131,1111 0.687,1112 0.631,1113 0.956,1114 1.035,1116 0.982,1117 0.664,1118 0.618,1119 0.791,1120 0.938,1122 0.935,1123 3.807,1125 5.176,1126 2.398,1127 6.744,1128 4.727,1129 8.404,1130 6.88,1131 10.114,1132 2.974,1135 9.484,1140 2.339,1144 21.337,1145 56.12,1146 122.49,1147 134.49,1148 144.49,1149 150.49,1150 150.49,1151 37.937,1152 6.799,1153 92.91,1154 92.91,1155 17,1156 12.493,1157 3.807,1158 3.087,1159 29.838,1160 57,1161 48,1162 0.282,1163 131.965,1164 226.47,1165 313.754,1166 6632,1168 14.439,1169 0.722,1170 0.546,1171 14.439,1172 10.915,1173 9.486,1174 0.431,1175 0.27,1176 5.805,1177 8.977,1178 5.635,1179 4.693,1180 9.486,1181 5.939,1182 9.028,1183 0.274,1184 0.138,1185 9.028,1186 4.539,1187 8.182,1188 0.178,1189 0.07,1190 8.182,1191 3.221,1192 6.386,1193 0.106,1194 0.035,1195 6.386,1196 2.112,1197 4.983,1198 0.066,1199 0.017,1200 4.983,1201 1.327,1202 0.421,1203 60.709,1204 0.267,1205 19.337,1206 0.837,1207 110,1208 382.889,1209 125.746,1210 365.622,1211 493.55,1212 338,1213 134,1214 365.711,1215 151.275,1216 368.587,1217 544.57,1218 344,1219 6} {0 CHEMBL11120,1 1.716,2 7.2,3 0.595,4 0.354,5 72.441,6 8.222,7 0.5,8 3.64,9 3.77,10 3.282,11 3.105,12 4.875,13 3.136,14 4.135,15 4.312,16 3.694,17 3.5,18 5.354,19 3.518,20 4.308,21 4.459,22 3.822,23 3.612,24 5.673,25 3.637,26 4.47,27 4.659,28 3.716,29 3.566,30 5.938,31 3.569,32 4.312,33 4.55,34 3.356,35 3.425,36 5.486,37 3.365,38 4.107,39 4.355,40 3.163,41 3.238,42 5.184,43 3.169,44 3.877,45 4.063,46 3.184,47 3.092,48 5.264,49 3.078,50 3.936,51 4.151,52 2.779,53 2.969,54 5.297,55 2.876,56 0.099,57 0.551,58 5.739,59 2.284,60 9.623,61 2.964,62 0.356,63 0.839,64 11.43,65 3.905,66 13.826,67 5.339,68 0.273,69 0.957,70 12.646,71 4.792,72 25.536,73 6.228,74 0.752,75 0.968,76 18.137,77 4.795,78 96.934,79 6.199,80 0.419,81 0.824,82 16.146,83 4.484,84 47.237,85 6.499,86 0.319,87 0.643,88 14.032,89 4.38,90 38.879,91 6.229,92 0.239,93 0.552,94 9.316,95 3.207,96 25.743,97 4.238,98 0.335,99 0.493,100 11.135,101 3.431,102 46.845,103 4.481,104 26,105 33,106 0.317,107 0.696,108 0.767,109 0.823,110 0.868,111 0.868,112 3.06,113 0.82,114 -2.55,115 -2.58,116 -2.52,117 39.4,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,144 1,145 1,146 1,150 4,152 4,153 1,155 2,157 3,158 4,160 2,161 3,162 1,166 3,167 2,169 2,170 2,171 3,173 1,174 4,175 1,176 3,178 1,181 1,182 1,183 4,188 1,193 5,195 1,196 1,203 6,205 2,206 2,212 4,214 1,215 1,222 1,231 386,232 13.121,233 13.121,234 13.121,235 13.121,236 13.121,237 11.638,238 14.589,239 7.346,240 13.406,241 10.755,242 10.755,243 10.755,244 10.755,245 10.755,246 8.325,247 17.037,248 3.429,249 11.189,250 3.328,251 1.281,252 0.894,253 0.591,254 0.349,255 0.349,256 3.728,261 1,262 306,263 2.121,265 36.168,266 105.656,269 70.633,270 1.1,271 27.201,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 44.5,282 144,283 4.616,284 3.968,285 6.944,286 4.277,287 3.326,288 4.264,289 1.761,290 11.581,291 3.161,292 4.269,293 3.385,294 6.443,295 3.918,296 2.944,297 3.803,298 1.083,299 9.886,300 2.867,301 3.787,302 3.073,303 5.929,304 3.39,305 2.434,306 3.122,307 0.526,308 7.941,309 2.324,310 3.576,311 2.748,312 5.845,313 3.285,314 2.324,315 2.75,316 0.064,317 7.555,318 2.215,319 3.208,320 2.049,321 4.996,322 2.815,323 1.852,324 2.425,326 5.448,327 1.779,328 2.86,329 1.662,330 4.029,331 2.403,332 1.414,333 2.015,335 3.111,336 1.397,337 2.559,338 1.552,339 3.939,340 2.059,341 1.08,342 1.57,343 2.746,344 1.053,345 2.333,346 1.457,347 3.638,348 1.809,349 0.872,350 1.205,351 2.544,352 0.809,353 1.942,354 1.014,355 3.552,356 1.545,357 0.544,358 0.708,359 1.36,360 0.537,361 1.69,362 0.808,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 1.094,370 -0.066,371 2.534,372 0.745,373 -0.217,374 -0.27,376 -0.485,377 -0.208,378 0.632,379 -0.432,380 2,381 0.18,382 -0.81,383 -1.104,385 -1.984,386 -0.8,387 0.36,388 -0.472,389 2,390 -0.023,391 -1,392 -1.204,394 -2.768,395 -0.947,396 0.077,397 -0.776,398 1.765,399 -0.264,400 -1.256,401 -1.485,403 -3.057,404 -1.249,406 -0.942,407 1.718,408 -0.374,409 -1.341,410 -1.733,412 -3.459,413 -1.271,414 9.167,415 0.458,416 0.669,417 0.033,418 28.25,419 1.413,420 14,421 0.7,422 14.25,423 0.713,424 12.68,425 0.634,426 21.433,427 0.649,428 20.909,429 1.045,430 5.817,431 0.291,432 3.686,433 0.184,434 0.225,436 0.469,437 0.828,438 1.536,439 0.712,440 1.08,441 0.651,442 0.884,443 0.555,444 0.872,445 0.606,446 0.7,447 0.544,448 0.658,449 0.871,450 1.466,451 0.796,452 1.313,453 0.861,454 1.084,455 1.411,456 0.942,457 1.247,458 0.912,459 1.507,460 1.026,461 1.053,462 0.969,463 1.188,464 0.995,465 0.872,466 1.077,467 0.904,468 0.824,469 0.898,470 0.883,471 0.877,472 0.892,473 0.985,474 1.115,475 0.993,476 1.193,477 0.914,478 1.113,479 1.435,480 0.999,481 1.505,482 1.298,483 1.536,484 1.414,485 4,487 3.333,488 2.097,489 1.584,490 0.772,491 0.454,492 0.317,493 0.105,494 0.031,495 3287,496 10324,497 2.018,498 39.4,500 10,503 3,507 1.623,508 1.818,509 2.864,510 1.201,512 1,514 1,515 56.644,516 1.716,517 3.764,518 4.15,519 4.453,520 4.696,521 4.696,522 2.226,523 3.446,524 4.297,525 2.962,526 562.801,527 7.364,528 5545.11,530 1,533 166.465,534 1.539,535 4.214,536 0.182,538 0.101,539 0.058,540 0.053,541 0.037,542 0.025,543 0.018,544 0.011,545 0.016,546 0.5,547 0.67,548 1,549 0.716,550 86.08,551 -0.146,552 -0.308,553 0.025,554 -0.075,555 -0.123,556 0.006,557 0.242,558 0.273,559 0.243,560 0.268,561 0.049,562 0.255,563 0.036,564 -0.36,565 0.041,566 -0.322,567 0.033,568 -0.173,569 -0.063,570 0.064,571 -0.267,572 -0.023,573 -0.066,574 -0.171,575 -0.173,576 0.007,577 -0.209,578 -0.063,579 -0.088,580 -0.116,581 -0.04,582 0.061,583 0.125,584 0.124,585 -0.027,586 0.158,587 -0.003,588 -0.105,589 -0.073,590 -0.207,591 0.119,592 -0.163,593 -0.249,594 -0.113,595 -0.493,596 -0.327,597 -0.145,598 -0.446,599 2.097,600 5.067,601 0.75,602 12.23,603 1.021,604 1.139,605 1.324,606 1.753,607 0.666,608 3.135,609 3.526,610 3.871,611 4.127,612 4.344,613 4.477,614 4.564,615 4.635,616 4.595,617 4.477,618 4.481,619 0.656,620 271.31,621 3.135,622 4.71,623 5.602,624 6.512,625 7.421,626 8.337,627 9.253,628 10.173,629 11.091,630 12.013,631 15.2,632 1,634 2,635 1,637 4,638 1,639 1,640 5,642 11,644 1,648 33,649 13,650 1,651 22,652 35,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,679 1,680 1,681 13,682 6,683 3,684 7,686 1,687 5,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 20,716 1,723 2,729 6.1,732 2,735 11,736 6.6,737 4.306,738 1.742,739 2.244,740 1.33,741 1.009,742 2.85,743 9.044,744 3.418,745 4.039,746 4.66,747 5.217,748 5.67,749 6.033,750 6.39,751 6.706,752 6.958,753 7.121,754 0.8,755 36,756 7.383,758 3.242,759 8.058,760 13.545,762 11.033,764 2.558,765 51.167,769 117.711,770 77.033,771 72.717,773 50.29,775 77.033,776 168.001,777 72.717,778 16.793,779 6.249,780 70.802,781 74.108,782 27.813,783 4.276,784 117.711,786 117.711,787 149.75,788 50.29,790 117.711,791 50.29,793 30.447,794 102.518,795 16.786,797 117.711,798 123.007,799 77.033,801 117.711,802 22.335,803 60.946,804 16.786,805 99.973,806 117.711,807 123.007,808 77.033,809 0.605,810 0.381,811 0.195,812 0.101,813 18,814 9,815 0.029,816 1,817 1,818 1.133,819 3.066,820 159.918,821 0.133,822 15,823 86.439,825 12.844,826 4.438,827 1.849,829 106.221,830 7.196,831 4.278,832 2.988,833 2.312,835 49.683,836 317.751,837 29.5,840 23.936,842 -0.834,843 33.698,844 37.571,845 0.34,846 0.746,847 0.823,848 0.883,849 0.931,850 0.931,851 4.689,852 0.872,853 5.638,854 2.746,855 4.205,856 4.723,857 2.197,858 6.538,859 4.126,860 5.927,861 0.544,862 7.269,863 2.544,864 4.007,865 4.649,866 1.404,867 7.597,868 3.883,869 7.263,870 0.177,871 8.999,872 1.36,873 5.894,874 6.925,875 2.804,876 10.752,877 5.728,878 8.636,879 -0.217,880 10.782,881 0.391,882 6.494,883 7.657,884 2.647,885 12.582,886 6.28,887 10.04,888 -0.81,889 12.598,890 -0.485,891 7.901,892 9.429,893 3.665,894 15.279,895 7.646,896 11.466,897 -1,898 14.435,899 -1.984,900 8.832,901 10.522,902 3.851,903 17.428,904 8.526,905 12.909,906 -1.256,907 16.288,908 -2.768,909 10.08,910 12.1,911 4.661,912 19.966,913 9.731,914 3.326,915 -1.341,916 18.151,917 -3.057,918 11.152,919 13.365,920 5.029,921 22.263,922 10.752,923 2.944,924 11.581,925 20.024,926 -3.459,927 12.348,928 14.86,929 5.726,930 24.739,931 11.903,932 2.434,933 9.886,934 21.903,935 4.264,936 13.482,937 16.209,938 6.188,939 27.107,940 12.985,941 2.324,942 7.941,943 23.789,944 3.803,945 14.665,946 17.67,947 6.825,948 29.559,949 14.119,950 1.852,951 7.555,952 25.68,953 3.122,954 15.827,955 19.062,956 7.336,957 31.964,958 15.229,959 1.414,960 5.448,961 27.576,962 2.75,963 17.009,964 20.508,965 7.94,966 34.408,967 16.36,968 1.08,969 3.111,970 29.475,971 2.425,972 18.185,973 21.922,974 8.477,975 36.831,976 17.483,977 3291,978 5936,979 14.046,980 21.983,981 34.861,982 36.525,983 36.631,984 34.035,985 33.932,986 44.198,987 6.869,988 105.128,989 32.637,990 5.561,991 5.968,992 6.629,993 5.351,994 5.326,995 7.264,996 3.071,997 19.581,998 5.161,999 11.586,1000 1.585,1001 1.66,1002 1.665,1003 1.547,1004 1.542,1005 2.009,1006 0.312,1007 4.779,1008 1.483,1009 4.062,1010 4.107,1011 4.036,1012 3.919,1013 7.444,1014 3.937,1015 3.832,1016 3.87,1017 3.78,1018 3.686,1019 7.411,1020 3.711,1021 3.477,1022 3.545,1023 3.413,1024 3.211,1025 5.127,1026 3.252,1027 3.271,1028 3.358,1029 3.146,1030 2.999,1031 4.875,1032 3.013,1033 3.048,1034 3.156,1035 2.894,1036 2.824,1037 4.484,1038 2.83,1039 2.93,1040 2.98,1041 2.794,1042 2.756,1043 4.071,1044 2.752,1045 2.795,1046 2.835,1047 2.588,1048 2.511,1049 3.919,1050 2.526,1051 2.752,1052 2.819,1053 2.571,1054 2.458,1055 3.594,1056 2.491,1057 0.21,1058 0.18,1059 0.316,1060 0.194,1061 0.151,1062 4.616,1063 0.194,1064 3.968,1065 0.08,1066 6.944,1067 0.526,1068 4.277,1069 0.144,1070 3.326,1071 4.264,1072 1.761,1073 11.581,1074 3.161,1075 1.908,1076 1.88,1077 2.01,1078 2.011,1079 1.09,1080 2.011,1081 1.714,1082 1.672,1083 1.82,1084 1.966,1085 0.902,1086 1.922,1087 1.332,1088 1.26,1089 1.608,1090 1.615,1091 0.664,1092 1.605,1093 1.187,1094 1.099,1095 1.413,1096 1.455,1097 0.474,1098 1.461,1099 1.123,1100 1.055,1101 1.344,1102 1.373,1103 0.378,1104 1.37,1105 0.991,1106 0.904,1107 1.279,1108 1.317,1109 0.189,1110 1.318,1111 0.73,1112 0.65,1113 1.038,1114 1.035,1116 1.005,1117 0.667,1118 0.63,1119 0.805,1120 0.97,1122 0.969,1123 3.807,1125 5.176,1126 2.398,1127 6.751,1128 4.727,1129 8.42,1130 6.88,1131 10.138,1132 3.01,1134 5.898,1140 2.383,1144 21.644,1145 56.644,1146 124.2,1147 136.955,1148 146.955,1149 154.955,1150 154.955,1151 36.141,1152 6.799,1153 98.7,1154 98.7,1155 17,1156 12.521,1157 3.807,1158 3.087,1159 29.793,1160 56,1161 46,1162 0.288,1163 134.763,1164 228.68,1165 320.581,1166 6632,1168 14.439,1169 0.722,1170 0.552,1171 14.439,1172 11.045,1173 9.503,1174 0.432,1175 0.273,1176 5.881,1177 9.03,1178 5.702,1179 4.763,1180 9.503,1181 6.01,1182 8.921,1183 0.27,1184 0.139,1185 8.921,1186 4.576,1187 8.322,1188 0.177,1189 0.071,1190 8.322,1191 3.317,1192 6.486,1193 0.106,1194 0.035,1195 6.486,1196 2.162,1197 4.949,1198 0.065,1199 0.018,1200 4.949,1201 1.342,1202 0.427,1203 60.521,1204 0.267,1205 19.257,1206 0.864,1207 110,1208 360.052,1209 124.669,1210 347.608,1211 474.47,1212 322,1213 135,1214 356.526,1215 151.613,1216 360.875,1217 534.64,1218 337,1219 5.77} {0 CHEMBL11146,1 1.784,2 7.364,3 0.946,4 0.895,5 74.499,6 8.832,7 0.458,8 3.681,9 3.781,10 3.369,11 3.148,12 4.989,13 3.197,14 4.171,15 4.32,16 3.79,17 3.54,18 5.576,19 3.579,20 4.349,21 4.475,22 3.919,23 3.668,24 5.782,25 3.714,26 4.516,27 4.665,28 3.879,29 3.631,30 6.073,31 3.681,32 4.403,33 4.589,34 3.62,35 3.511,36 5.829,37 3.501,38 4.224,39 4.436,40 3.367,41 3.319,42 5.473,43 3.307,44 3.968,45 4.13,46 3.367,47 3.198,48 5.344,49 3.211,50 4.023,51 4.168,52 3.299,53 3.069,54 5.752,55 3.089,56 0.176,57 0.542,58 4.865,59 2.545,60 19.236,61 2.725,62 0.49,63 0.843,64 10.413,65 4.09,66 46.211,67 4.914,68 0.422,69 0.967,70 11.246,71 5.224,72 50.035,73 5.842,74 0.882,75 1.006,76 16.503,77 5.145,78 121.083,79 5.319,80 0.71,81 0.88,82 15.804,83 5.121,84 82.739,85 6.194,86 0.564,87 0.701,88 15.27,89 4.657,90 82.127,91 5.724,92 0.353,93 0.582,94 9.412,95 3.79,96 37.157,97 4.541,98 0.571,99 0.528,100 10.307,101 3.846,102 84.574,103 4.279,104 38,105 36,106 0.326,107 0.702,108 0.771,109 0.814,110 0.867,111 0.878,112 3.148,113 0.8,114 -2.8,115 -2.81,116 -2.73,117 41.2,122 2,130 4,131 2,133 1,139 1,140 2,141 1,143 1,148 1,149 1,150 6,151 1,152 4,153 2,155 3,157 2,158 6,159 2,161 3,162 4,166 4,167 3,168 2,170 2,171 5,172 1,174 3,176 4,177 1,180 1,182 2,183 6,186 2,187 1,188 2,193 7,194 1,202 1,203 7,204 2,206 1,211 2,212 4,213 1,215 2,221 1,222 1,225 1,231 550,232 14.328,233 14.328,234 14.328,235 14.328,236 14.328,237 12.753,238 13.704,239 8.027,240 14.603,241 11.739,242 11.739,243 11.739,244 11.739,245 11.739,246 9.098,247 16.188,248 3.728,249 12.145,250 3.304,251 1.243,252 0.868,253 0.633,254 0.339,255 0.28,256 3.817,261 1,262 340,263 2.739,265 40.018,266 119.789,269 78.635,270 1.149,271 38.172,274 1,275 1,276 0.4,278 1,279 1,280 0.77,281 50,282 162,283 4.625,284 3.968,285 6.948,286 4.283,287 3.33,288 4.283,289 1.761,290 11.603,291 3.174,292 4.361,293 3.609,294 6.621,295 4.025,296 3.038,297 3.903,298 1.437,299 10.496,300 2.993,301 3.856,302 3.384,303 5.978,304 3.475,305 2.518,306 3.176,307 1.083,308 8.157,309 2.396,310 3.584,311 2.985,312 5.845,313 3.288,314 2.324,315 2.768,316 0.526,317 7.555,318 2.231,319 3.432,320 2.63,321 5.485,322 3.073,323 2.092,324 2.64,325 0.064,326 6.606,327 2.033,328 3.112,329 1.941,330 4.349,331 2.637,332 1.648,333 2.345,335 3.899,336 1.623,337 2.573,338 1.662,339 4.029,340 2.067,341 1.09,342 1.577,343 2.747,344 1.058,345 2.529,346 1.527,347 3.722,348 2.005,349 1,350 1.475,351 2.544,352 0.994,353 2.332,354 1.318,355 3.567,356 1.809,357 0.872,358 1.204,359 2.303,360 0.809,361 1.939,362 1.014,363 3.466,364 1.536,365 0.535,366 0.699,367 1.345,368 0.528,369 1.69,370 0.807,371 2.912,372 1.198,373 0.177,374 0.237,376 0.391,377 0.177,378 0.928,379 0.443,380 2.507,381 0.506,382 -0.492,383 -0.637,385 -1.241,386 -0.483,387 0.616,388 -0.374,389 2,390 0.137,391 -0.868,392 -1.176,394 -2,395 -0.858,396 0.408,397 -0.449,398 2,399 -0.018,400 -1,401 -1.213,403 -2.118,404 -0.947,405 0.36,406 -0.482,407 1.824,408 -0.023,409 -1,410 -1.432,412 -2.768,413 -0.981,414 9.933,415 0.452,416 0.758,417 0.034,418 30.5,419 1.386,420 15,421 0.682,422 15.5,423 0.705,424 14.526,425 0.66,426 23.667,427 0.696,428 24.448,429 1.111,430 6.384,431 0.29,432 4.03,433 0.183,434 0.235,436 0.483,437 0.798,438 1.529,439 0.659,440 1.094,441 0.647,442 0.877,443 0.483,444 0.805,445 0.572,446 0.672,447 0.468,448 0.639,449 0.815,450 1.379,451 0.746,452 1.255,453 0.794,454 1.039,455 1.338,456 1.063,457 1.209,458 0.957,459 1.326,460 1.013,461 0.975,462 0.962,463 1.177,464 1.031,465 0.944,466 1.132,467 1.151,468 0.819,469 1.031,470 0.821,471 1.078,472 0.861,473 0.806,474 1.087,475 0.829,476 1.164,477 0.872,478 1.042,479 1.036,480 1.075,481 1.153,482 1.366,483 1.148,484 1.325,485 4.5,487 3.556,488 2.347,489 1.824,490 0.897,491 0.565,492 0.442,493 0.267,494 0.031,495 4165,496 15527,497 1.991,498 35.3,500 10,503 2,507 1.651,508 1.784,509 2.916,510 0.438,512 1,514 1,515 60.651,516 1.784,517 3.844,518 4.22,519 4.455,520 4.749,521 4.808,522 2.243,523 3.482,524 4.435,525 3.045,526 703.438,527 7.647,528 7486.15,529 1,530 1,533 172.974,534 1.539,535 4.344,536 0.188,538 0.099,539 0.059,540 0.051,541 0.033,542 0.026,543 0.02,544 0.015,545 0.005,546 0.495,547 0.5,548 1,549 0.917,550 98.371,551 -0.142,552 -0.341,553 0.009,554 -0.088,555 -0.103,556 -0.011,557 0.243,558 0.354,559 0.228,560 0.283,561 0.135,562 0.257,563 -0.021,564 -0.284,565 0.042,566 -0.265,567 -0.011,568 -0.135,569 -0.202,570 -0.035,571 -0.278,572 -0.055,573 -0.144,574 -0.16,575 -0.034,576 0.029,577 -0.201,578 -0.094,579 -0.054,580 -0.178,581 -0.207,582 0.084,583 0.033,584 0.161,585 -0.148,586 0.186,587 0.055,588 -0.107,589 0.092,590 -0.149,591 -0.004,592 -0.045,593 0.17,594 -0.18,595 -0.153,596 -0.383,597 0.17,598 -0.374,599 2.766,600 5.116,601 0.682,602 14.364,603 1.037,604 1.132,605 1.574,606 2.476,607 0.673,608 3.219,609 3.611,610 3.951,611 4.22,612 4.443,613 4.564,614 4.682,615 4.796,616 4.779,617 4.682,618 4.784,619 0.678,620 300.3,621 3.219,622 4.796,623 5.687,624 6.6,625 7.51,626 8.428,627 9.345,628 10.266,629 11.187,630 12.109,631 11.8,634 2,635 1,637 4,638 1,639 1,640 5,642 11,643 1,648 34,649 14,650 1,651 24,652 36,653 14,654 9,655 2,656 4,657 2,659 3,660 4,662 1,670 12,671 2,673 3,676 3,678 3,679 1,680 1,681 12,682 7,683 2,684 8,686 1,687 4,688 1,689 0.667,690 4,698 1,699 2,709 1,711 2,713 2,715 22,718 1,723 2,729 11.8,731 1,732 3,735 12.333,736 6.883,737 4.75,738 1.813,739 2.44,740 1.348,741 0.96,742 3.317,743 9.446,744 3.512,745 4.123,746 4.742,747 5.31,748 5.78,749 6.148,750 6.54,751 6.874,752 7.128,753 7.291,754 0.8,755 40,756 8.159,758 3.649,759 8.311,760 14.606,762 11.855,764 2.811,765 61.833,769 117.711,770 78.372,771 39.82,773 118.118,775 78.372,776 235.829,777 39.82,778 16.793,779 6.249,780 37.905,781 142.846,782 28.241,783 4.276,784 117.711,786 117.711,787 118.192,788 118.118,790 117.711,791 118.118,793 30.447,794 70.959,795 16.786,797 117.711,798 157.938,799 78.372,801 117.711,802 23.674,803 60.946,804 16.786,805 134.904,806 117.711,807 157.938,808 78.372,809 0.604,810 0.377,811 0.197,812 0.104,813 19,814 10,815 0.056,816 2,817 1,818 1.133,819 3.196,820 182.679,821 0.133,822 15,823 98.107,825 14.444,826 5.052,827 2.15,829 141.152,830 6.308,831 4.176,832 2.859,833 0.971,835 59.469,836 354.021,837 32.5,840 35.314,842 -2.12,843 35.251,844 38.492,845 0.351,846 0.756,847 0.829,848 0.876,849 0.933,850 0.945,851 4.785,852 1,853 5.727,854 2.747,855 4.29,856 4.808,857 2.575,858 6.632,859 4.223,860 6.026,861 0.872,862 7.361,863 2.544,864 4.111,865 4.758,866 1.404,867 7.711,868 4.006,869 7.364,870 0.535,871 9.094,872 2.303,873 5.984,874 7.006,875 3.22,876 10.863,877 5.842,878 8.737,879 0.177,880 10.881,881 1.345,882 6.594,883 7.76,884 2.647,885 12.711,886 6.414,887 10.143,888 -0.492,889 12.701,890 0.391,891 7.997,892 9.515,893 4.037,894 15.406,895 7.779,896 11.57,897 -0.868,898 14.542,899 -1.241,900 8.933,901 10.625,902 3.851,903 17.57,904 8.675,905 13.015,906 -1,907 16.397,908 -2,909 10.179,910 12.195,911 4.956,912 20.105,913 9.883,914 3.33,915 -1,916 18.264,917 -2.118,918 11.254,919 13.472,920 5.029,921 22.411,922 10.916,923 3.038,924 11.603,925 20.14,926 -2.768,927 12.449,928 14.965,929 5.945,930 24.884,931 12.071,932 2.518,933 10.496,934 22.023,935 4.283,936 13.584,937 16.323,938 6.188,939 27.256,940 13.163,941 2.324,942 8.157,943 23.911,944 3.903,945 14.766,946 17.783,947 6.98,948 29.706,949 14.302,950 2.092,951 7.555,952 25.805,953 3.176,954 15.928,955 19.182,956 7.336,957 32.11,958 15.419,959 1.648,960 6.606,961 27.702,962 2.768,963 17.109,964 20.629,965 8.048,966 34.551,967 16.555,968 1.09,969 3.899,970 29.604,971 2.64,972 18.284,973 22.048,974 8.477,975 36.971,976 17.683,977 4199,978 8200,979 15.145,980 22.886,981 38.274,982 40.119,983 40.018,984 37.342,985 37.246,986 48.615,987 9.742,988 115.296,989 36.032,990 5.57,991 5.968,992 6.627,993 5.357,994 5.33,995 7.283,996 3.198,997 19.603,998 5.174,999 13.758,1000 1.595,1001 1.672,1002 1.667,1003 1.556,1004 1.552,1005 2.026,1006 0.406,1007 4.804,1008 1.501,1009 4.067,1010 4.108,1011 4.043,1012 3.933,1013 7.475,1014 3.95,1015 3.847,1016 3.874,1017 3.805,1018 3.695,1019 7.444,1020 3.723,1021 3.48,1022 3.546,1023 3.42,1024 3.212,1025 7.411,1026 3.252,1027 3.279,1028 3.358,1029 3.224,1030 3.021,1031 6.351,1032 3.065,1033 3.271,1034 3.267,1035 3.146,1036 2.999,1037 4.945,1038 3.013,1039 2.932,1040 2.98,1041 2.801,1042 2.757,1043 4.613,1044 2.755,1045 2.795,1046 2.84,1047 2.602,1048 2.538,1049 4.071,1050 2.552,1051 2.766,1052 2.823,1053 2.571,1054 2.462,1055 3.919,1056 2.492,1057 0.193,1058 0.165,1059 0.289,1060 0.178,1061 0.139,1062 4.625,1063 0.178,1064 3.968,1065 0.073,1066 6.948,1067 0.483,1068 4.283,1069 0.132,1070 3.33,1071 4.283,1072 1.761,1073 11.603,1074 3.174,1075 1.921,1076 1.901,1077 2.011,1078 2.014,1079 1.115,1080 2.01,1081 1.714,1082 1.672,1083 1.82,1084 1.966,1085 0.903,1086 1.922,1087 1.332,1088 1.26,1089 1.608,1090 1.617,1091 0.664,1092 1.605,1093 1.188,1094 1.123,1095 1.413,1096 1.456,1097 0.475,1098 1.461,1099 1.123,1100 1.092,1101 1.343,1102 1.429,1103 0.38,1104 1.371,1105 1.112,1106 1.053,1107 1.246,1108 1.373,1109 0.227,1110 1.357,1111 0.751,1112 0.686,1113 1.024,1114 1.035,1116 1.012,1117 0.668,1118 0.631,1119 0.803,1120 0.98,1122 0.971,1123 3.892,1125 5.263,1126 2.398,1127 6.836,1128 4.727,1129 8.505,1130 6.88,1131 10.224,1132 2.874,1135 9.237,1140 2.215,1144 23.052,1145 60.651,1146 130.709,1147 143.464,1148 151.464,1149 161.464,1150 163.464,1151 50.089,1152 7.007,1153 109.98,1154 109.98,1155 17,1156 12.616,1157 3.907,1158 3.248,1159 34.246,1160 64,1161 50,1162 0.279,1163 142.626,1164 249.92,1165 339.767,1166 8724,1168 16.016,1169 0.728,1170 0.537,1171 16.016,1172 11.823,1173 10.414,1174 0.434,1175 0.267,1176 6.251,1177 9.834,1178 6.083,1179 5.057,1180 10.414,1181 6.399,1182 9.852,1183 0.274,1184 0.134,1185 9.852,1186 4.839,1187 8.875,1188 0.174,1189 0.069,1190 8.875,1191 3.514,1192 7.042,1193 0.105,1194 0.035,1195 7.042,1196 2.326,1197 5.514,1198 0.066,1199 0.017,1200 5.514,1201 1.457,1202 0.417,1203 66.851,1204 0.257,1205 20.947,1206 0.833,1207 120,1208 446.624,1209 138.071,1210 423.24,1211 564.29,1212 390,1213 147,1214 410.348,1215 165.936,1216 412.532,1217 611.47,1218 385,1219 4.523} {0 CHEMBL113,1 1.784,2 4.786,3 -0.1,4 0.01,5 49.333,6 8.093,7 0.333,8 3.326,9 3.456,10 2.962,11 2.68,12 4.539,13 2.734,14 3.867,15 4.088,16 3.369,17 3.069,18 5.054,19 3.121,20 3.927,21 4.049,22 3.492,23 3.214,24 5.338,25 3.26,26 4.175,27 4.365,28 3.339,29 3.118,30 5.745,31 3.15,32 3.819,33 4.041,34 2.606,35 2.838,36 5.011,37 2.744,38 3.667,39 3.974,40 1.56,41 2.471,42 4.615,43 2.187,44 3.152,45 3.584,46 0.395,47 1.518,48 3.761,49 1.106,56 0.088,57 0.38,58 4.334,59 1.363,60 3.905,61 2.222,62 0.401,63 0.562,64 10.216,65 2.163,66 12.406,67 3.59,68 0.23,69 0.613,70 8.438,71 3.242,72 12.904,73 4.372,74 0.717,75 0.561,76 14.605,77 2.76,78 94.755,79 4.188,80 0.362,81 0.394,82 9.94,83 2.46,84 22.525,85 3.718,86 0.29,87 0.241,88 10.467,89 2.786,90 35.679,91 4.48,92 0.241,93 0.073,94 8.468,95 1.484,96 35.254,97 2.901,104 26,105 23,106 0.365,107 0.621,108 0.679,109 0.766,110 0.817,111 0.817,112 2.739,113 0.822,114 -1.97,115 -2.02,116 -2.02,117 33.3,122 3,134 1,138 1,140 1,141 1,142 1,152 6,161 3,170 5,182 1,231 124,232 8.897,233 8.897,234 8.897,235 8.897,236 8.897,237 8.075,238 14.589,239 4.816,240 9.224,241 7.273,242 7.273,243 7.273,244 7.273,245 7.273,246 5.845,247 20.482,248 2.194,249 7.74,250 2.801,251 1.554,252 1.272,253 0.844,254 0.594,255 0.594,256 3.36,261 1,262 137,263 1.871,265 24.769,266 29.659,269 45.931,270 0.561,271 20.309,274 0.67,275 0.83,276 0.8,278 1,279 1,280 0.76,281 32,282 67,283 4.621,284 3.975,285 7.03,286 4.289,287 3.339,288 4.233,289 1.761,290 11.875,291 3.168,292 3.898,293 3.4,294 6.129,295 3.538,296 2.598,297 3.177,298 1.083,299 8.508,300 2.436,301 3.576,302 2.928,303 5.863,304 3.288,305 2.339,306 2.75,307 0.526,308 7.624,309 2.208,310 3.029,311 2.205,312 4.799,313 2.59,314 1.634,315 2.154,316 0.064,317 4.673,318 1.547,319 2.409,320 1.663,321 3.967,322 1.946,323 1.038,324 1.37,326 2.663,327 0.941,328 1.921,329 1.19,330 3.559,331 1.472,332 0.467,333 0.63,335 1.174,336 0.462,337 1.746,338 1.031,339 2.965,340 1.295,341 0.273,342 0.35,343 0.594,344 0.273,345 0.715,346 -0.116,347 2,348 0.395,349 -0.56,350 -0.662,351 -1.299,352 -0.527,353 0.106,354 -0.446,355 2,356 -0.26,357 -1.194,358 -1.394,359 -3.054,360 -1.093,362 -0.689,363 1.771,364 -0.267,365 -1.264,366 -1.505,367 -3.116,368 -1.252,369 -0.106,370 -1.025,371 1.408,372 -0.473,373 -1.445,374 -1.789,376 -4.162,377 -1.38,378 -0.33,379 -1.217,380 1.35,381 -0.618,382 -1.555,383 -2,384 -0.4,385 -4.83,386 -1.506,387 -0.475,388 -1.64,389 1.239,390 -0.802,391 -1.735,392 -2.078,393 -0.66,394 -5.851,395 -1.621,396 -0.664,397 -1.773,398 1.186,399 -1.018,400 -1.935,401 -2.545,402 -1.065,403 -6.798,404 -1.769,405 -0.945,406 -1.886,407 0.736,408 -1.073,409 -2,410 -2.691,411 -1.31,412 -8,413 -1.887,414 6.267,415 0.448,416 0.549,417 0.039,418 18.25,419 1.304,420 7.5,421 0.536,422 10.75,423 0.768,424 8.398,425 0.6,426 15.933,427 0.664,428 12.556,429 0.897,430 3.835,431 0.274,432 2.701,433 0.193,434 0.346,436 0.511,437 0.74,438 2.226,439 0.665,440 1.546,441 0.526,442 1.138,443 0.684,444 0.502,445 0.573,446 0.262,447 0.533,448 0.326,449 0.819,450 1.653,451 0.757,452 1.607,453 0.943,454 1.24,455 1.568,456 0.882,457 1.333,458 0.866,459 1.634,460 1.015,461 1.279,462 0.916,463 1.598,464 1.245,465 1.097,466 1.461,467 0.814,468 0.87,469 1.233,470 1.291,471 0.952,472 1.398,473 0.649,475 0.363,476 0.004,477 0.842,478 0.116,485 3,487 2.667,488 1.75,489 1.392,490 0.278,495 1012,496 3560,497 1.912,498 41.7,500 9,502 1,507 1.521,508 1.68,509 2.329,510 -0.557,515 42.82,516 1.784,517 3.031,518 3.313,519 3.741,520 3.991,521 3.991,522 1.432,523 3.807,524 3.786,525 2.294,526 208.757,527 6.363,528 1641.64,530 1,533 110.039,534 1.432,535 3.664,536 0.2,538 0.116,539 0.07,540 0.073,541 0.035,546 0.494,547 0.67,548 1,549 0.802,550 50.292,551 -0.094,552 -0.92,553 0.076,554 -0.446,555 -0.054,556 -0.187,557 0.156,558 0.623,559 0.346,560 0.627,561 0.056,562 0.566,563 0.057,564 -0.421,565 0.03,566 -0.479,567 -0.012,568 -0.274,569 -0.193,570 0.052,571 -0.337,572 -0.02,573 -0.066,574 -0.189,575 -0.327,576 0.059,577 -0.673,578 -0.309,579 -0.164,580 -0.538,581 -0.01,582 -0.198,583 -0.169,584 -0.301,585 -0.103,586 -0.295,587 0.254,588 0.245,589 0.995,590 0.835,591 0.091,592 1.077,599 2.027,600 4.672,601 0.643,602 5.714,603 1.03,604 1.152,605 0.736,606 0.542,607 0.634,608 2.773,609 3.178,610 3.526,611 3.761,612 3.871,613 3.85,614 3.664,615 3.434,616 2.89,617 1.609,618 3.096,619 0.629,620 194.22,621 2.773,622 4.344,623 5.242,624 6.159,625 7.072,626 7.992,627 8.908,628 9.828,629 10.744,630 11.664,631 16.7,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 24,649 7,651 15,652 25,653 8,654 3,657 1,659 2,660 3,662 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 14,723 2,729 8.3,732 2,735 8.333,736 5.467,737 3.028,738 1.242,739 1.221,740 1.213,741 0.94,742 1.855,743 6.958,744 3.02,745 3.618,746 4.21,747 4.712,748 4.913,749 5.13,750 5.152,751 5.104,752 4.875,753 3.596,754 0.5,755 25,756 5.161,757 0.002,758 2.213,759 8.19,760 9.381,761 0.001,762 7.38,763 -0.001,764 2.69,765 37.667,766 0.003,769 117.711,770 47.873,771 24.933,773 50.29,775 47.873,776 168.001,777 24.933,778 25.189,779 6.249,781 92.17,782 1.899,783 9.36,784 105.94,786 117.711,787 72.806,788 50.29,790 117.711,791 50.29,793 16.766,794 39.254,795 16.786,797 117.711,798 75.223,799 47.873,801 117.711,802 14.065,803 41.955,805 67.075,806 117.711,807 75.223,808 47.873,809 0.615,810 0.399,811 0.203,812 0.097,813 13,814 7,817 1,818 1.222,819 2.405,820 94.474,821 0.222,822 9,823 53.303,825 9.214,826 2.819,827 1.092,829 73.324,830 1.519,831 3.993,833 0.857,834 1.608,836 240.807,837 19.5,840 23.161,842 -0.677,843 24.713,844 27.658,845 0.389,846 0.661,847 0.723,848 0.816,849 0.87,850 0.87,851 4.307,852 -0.56,853 5.303,854 0.594,855 3.85,856 4.297,857 2.197,858 6.232,859 3.736,860 5.552,861 -1.194,862 6.961,863 -1.299,864 3.761,865 4.35,866 1.404,867 7.368,868 3.603,869 6.901,870 -1.264,871 8.717,872 -3.054,873 5.572,874 6.484,875 2.804,876 10.531,877 5.344,878 8.286,879 -1.445,880 10.523,881 -3.116,882 6.256,883 7.341,884 2.647,885 12.43,886 5.986,887 9.704,888 -1.555,889 12.36,890 -4.162,891 7.626,892 9.008,893 3.665,894 15.153,895 7.292,896 11.143,897 -1.735,898 14.218,899 -4.83,900 8.616,901 10.202,902 3.851,903 17.37,904 8.239,905 12.599,906 -1.935,907 16.09,908 -5.851,909 9.855,910 11.716,911 4.661,912 19.942,913 9.42,914 3.339,915 -2,916 17.974,917 -6.798,918 10.968,919 13.052,920 5.029,921 22.301,922 10.486,923 2.598,924 11.875,925 19.868,926 -8,927 12.172,928 14.516,929 5.726,930 24.814,931 11.635,932 2.339,933 8.508,934 21.77,935 4.233,936 13.335,937 15.912,938 6.188,939 27.236,940 12.75,941 1.634,942 7.624,943 23.678,944 3.177,945 14.532,946 17.359,947 6.825,948 29.726,949 13.894,950 1.038,951 4.673,952 25.591,953 2.75,954 15.717,955 18.782,956 7.336,957 32.177,958 15.028,959 0.467,960 2.663,961 27.509,962 2.154,963 16.915,964 20.224,965 7.94,966 34.658,967 16.174,968 0.273,969 1.174,970 29.432,971 1.37,972 18.11,973 21.658,974 8.477,975 37.122,976 17.318,977 1123,978 2176,979 9.077,980 15.216,981 24.199,982 25.688,983 25.894,984 23.488,985 23.375,986 29.329,987 6.869,988 74.22,989 22.069,990 5.566,991 5.86,992 6.294,993 5.361,994 5.339,995 6.925,996 3.071,997 19.875,998 5.055,999 8.605,1000 1.613,1001 1.713,1002 1.726,1003 1.566,1004 1.558,1005 1.955,1006 0.458,1007 4.948,1008 1.471,1009 4.023,1010 4.076,1011 3.998,1012 3.804,1013 7.444,1014 3.848,1015 3.547,1016 3.617,1017 3.475,1018 3.26,1019 7.411,1020 3.302,1021 3.284,1022 3.377,1023 3.15,1024 3.01,1025 4.895,1026 3.023,1027 2.988,1028 3.088,1029 2.797,1030 2.746,1031 4.083,1032 2.733,1033 2.859,1034 2.922,1035 2.66,1036 2.574,1037 3.942,1038 2.589,1039 2.791,1040 2.81,1041 2.569,1042 2.457,1043 3.772,1044 2.49,1045 2.224,1046 2.3,1047 2.048,1048 2.01,1049 3.173,1050 2.014,1051 1.775,1052 1.861,1053 1.672,1054 1.358,1055 2.856,1056 1.438,1057 0.308,1058 0.265,1059 0.469,1060 0.286,1061 0.223,1062 4.621,1063 0.282,1064 3.975,1065 0.117,1066 7.03,1067 0.792,1068 4.289,1069 0.211,1070 3.339,1071 4.233,1072 1.761,1073 11.875,1074 3.168,1075 1.734,1076 1.692,1077 1.843,1078 1.982,1079 0.953,1080 1.939,1081 1.482,1082 1.398,1083 1.713,1084 1.774,1085 0.757,1086 1.756,1087 1.248,1088 1.149,1089 1.6,1090 1.542,1091 0.657,1092 1.564,1093 1.063,1094 0.994,1095 1.304,1096 1.316,1097 0.367,1098 1.319,1099 0.843,1100 0.746,1101 1.186,1102 1.15,1103 0.172,1104 1.172,1105 0.648,1106 0.62,1107 0.756,1108 1.011,1110 0.939,1111 0.392,1112 0.355,1113 0.514,1114 0.749,1116 0.693,1123 3.434,1125 4.812,1126 2.398,1127 6.399,1128 4.727,1129 8.084,1130 6.843,1131 9.824,1132 4.773,1140 2.431,1144 15.096,1145 42.82,1146 72.755,1147 79.51,1148 89.774,1149 95.774,1150 95.774,1151 23.368,1152 5.737,1153 61.82,1154 61.82,1155 11,1156 12.173,1157 3,1158 2.459,1159 21.021,1160 28,1161 19,1162 0.45,1163 96.182,1164 162.36,1165 226.445,1166 1538,1168 10.456,1169 0.747,1170 0.584,1171 10.456,1172 8.183,1173 6.537,1174 0.436,1175 0.274,1176 3.973,1177 6.05,1178 3.782,1179 3.197,1180 6.537,1181 4.108,1182 6.232,1183 0.271,1184 0.141,1185 6.232,1186 3.233,1187 5.877,1188 0.178,1189 0.07,1190 5.877,1191 2.317,1192 4.482,1193 0.107,1194 0.035,1195 4.482,1196 1.471,1197 3.124,1198 0.066,1199 0.018,1200 3.124,1201 0.867,1202 0.624,1203 42.732,1204 0.332,1205 13.321,1206 1.511,1207 76,1208 286.052,1209 89.337,1210 268.541,1211 359.28,1212 248,1213 94,1214 263.892,1215 109.614,1216 266.266,1217 393.12,1218 245,1219 4.199} {0 CHEMBL1250,1 1.891,2 4.333,3 -0.789,4 0.623,5 38.23,6 9.231,7 0.385,8 3.093,9 3.218,10 2.815,11 2.445,12 4.407,13 2.542,14 3.574,15 3.746,16 3.209,17 2.818,18 4.954,19 2.897,20 3.666,21 3.809,22 3.204,23 2.811,24 5.194,25 2.902,26 3.668,27 3.828,28 2.939,29 2.567,30 5.423,31 2.638,32 3.17,33 3.413,34 1.996,35 1.994,36 4.571,37 1.96,38 2.326,39 2.578,40 0.603,41 1.332,42 3.239,43 1.133,44 1.844,45 2.277,46 0.042,47 0.626,48 1.946,49 0.348,56 0.132,57 0.3,58 2.375,59 0.85,60 9.729,61 1.124,62 0.305,63 0.434,64 5.514,65 1.614,66 19.23,67 2.176,68 0.33,69 0.404,70 5.564,71 1.93,72 35.825,73 2.286,74 0.534,75 0.294,76 7.363,77 1.73,78 76.431,79 2.025,80 0.306,81 0.147,82 5.913,83 1.114,84 41.529,85 1.608,86 0.095,87 0.063,88 1.995,89 0.543,90 8.512,91 0.798,92 0.074,93 0.015,94 2.811,95 0.434,96 9.515,97 0.987,104 10,105 19,106 0.415,107 0.809,108 0.858,109 0.858,110 0.858,111 0.858,112 2.604,113 0.767,114 -0.87,115 -0.98,116 -1.09,117 33.3,122 1,133 1,139 1,140 1,141 1,142 1,152 2,155 3,156 1,161 2,164 1,170 1,174 4,182 1,231 70,232 7.845,233 7.845,234 7.845,235 7.845,236 7.845,237 7.026,238 10.803,239 4.424,240 8.093,241 6.353,242 6.353,243 6.353,244 6.353,245 6.353,246 4.982,247 14.509,248 2.05,249 6.7,250 2.279,251 0.486,252 0.264,253 0.264,254 0.264,255 0.264,256 3.223,262 109,263 1.581,265 20.48,266 24.101,269 37.456,270 0.556,271 18.383,274 0.67,275 0.83,276 0.4,278 1,279 1,280 0.7,281 28,282 52,283 4.466,284 3.894,285 6.702,286 4.136,287 3.175,288 4.031,289 1.725,290 10.7,291 3.046,292 3.759,293 3.327,294 5.837,295 3.382,296 2.438,297 3.036,298 1.058,299 7.691,300 2.297,301 3.372,302 2.683,303 5.175,304 2.994,305 2.007,306 2.53,307 0.214,308 5.971,309 1.96,310 2.576,311 1.664,312 3.782,313 2.058,314 1.142,315 1.599,317 2.563,318 1.043,319 2.317,320 1.388,321 3.526,322 1.803,323 0.858,324 1.187,326 2.264,327 0.802,328 1.799,329 1.031,330 3.032,331 1.317,332 0.289,333 0.393,335 0.651,336 0.291,337 1.03,338 0.331,339 2.467,340 0.609,341 -0.38,342 -0.493,343 -0.951,344 -0.368,345 0.271,346 -0.473,347 1.741,348 -0.124,349 -1.151,350 -1.421,351 -2.726,352 -1.158,353 -0.053,354 -0.789,355 1.494,356 -0.436,357 -1.352,358 -1.668,359 -3.51,360 -1.256,361 -0.167,362 -1.066,363 1.422,364 -0.473,365 -1.466,366 -2,367 -4.185,368 -1.433,369 -0.27,370 -1.549,371 1.207,372 -0.685,373 -1.632,374 -2.033,375 -0.64,376 -5.445,377 -1.571,378 -0.659,379 -1.762,380 1.106,381 -1.008,382 -1.928,383 -2.488,384 -1.058,385 -5.52,386 -1.766,387 -0.942,388 -1.879,389 0.511,390 -1.073,391 -2,392 -2.672,393 -1.299,394 -7.503,395 -1.887,414 5.267,415 0.439,416 0.388,417 0.032,418 16.75,419 1.396,420 7.5,421 0.625,422 9.25,423 0.771,424 5.686,425 0.474,426 13.333,427 0.741,428 10.137,429 0.845,430 3.537,431 0.295,432 2.161,433 0.18,434 0.222,436 0.456,437 0.862,438 1.926,439 0.627,440 1.259,441 0.558,442 0.892,443 0.545,444 0.791,445 0.595,446 0.641,447 0.562,448 0.616,449 1.042,450 1.285,451 0.88,452 1.349,453 1.031,454 1.108,455 1.376,456 0.84,457 1.354,458 1.008,459 1.596,460 1.176,461 1.418,462 0.576,463 1.436,464 0.752,465 1.434,466 1.048,467 1.014,468 0.929,469 1.989,470 1.589,471 0.795,472 2.052,485 2.5,487 2,488 1.063,489 0.876,490 0.16,495 718,496 2968,497 1.991,498 33.3,500 3,502 1,503 2,507 1.466,508 1.8,509 2.245,510 0.832,515 34.039,516 1.891,517 3.684,518 3.906,519 3.906,520 3.906,521 3.906,522 1.325,523 3.252,524 3.566,525 2.182,526 144.035,527 5.897,528 1020.16,533 75.059,534 1.555,535 3.478,536 0.192,538 0.105,539 0.059,540 0.073,541 0.04,546 0.47,547 0.67,548 1,549 0.799,550 40.181,551 -0.246,552 -0.687,553 0.004,554 -0.252,555 -0.083,556 -0.053,557 0.203,558 0.347,559 0.201,560 0.296,561 0.039,562 0.256,563 -0.124,564 -0.233,565 -0.067,566 -0.372,567 -0.075,568 -0.228,569 -0.08,570 -0.018,571 -0.352,572 -0.127,573 -0.086,574 -0.317,575 -0.288,576 0.09,577 -0.227,578 0.141,579 -0.218,580 0.012,581 -0.258,582 -0.14,583 -0.907,584 -0.639,585 -0.185,586 -0.95,587 0.768,588 0.191,589 1.916,590 1.042,591 0.503,592 1.762,599 2.114,600 4.271,601 0.75,602 4.333,603 1.053,604 1.157,605 -0.356,606 0.127,607 0.65,608 2.639,609 2.996,610 3.296,611 3.497,612 3.555,613 3.526,614 3.296,615 3.045,616 2.197,617 1.099,618 2.868,619 0.669,620 166.16,621 2.639,622 4.174,623 5.043,624 5.932,625 6.817,626 7.708,627 8.595,628 9.487,629 10.375,630 11.267,631 22.2,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 18,649 7,651 13,652 19,653 6,654 3,657 1,659 2,660 3,662 1,670 5,671 1,673 2,676 2,678 2,681 6,682 5,683 2,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 1,715 12,720 1,723 1,729 11.1,732 2,735 6.667,736 3.567,737 2.611,738 0.896,739 1.238,740 1.228,741 0.981,742 1.411,743 6.658,744 2.918,745 3.474,746 4.014,747 4.498,748 4.613,749 4.866,750 4.847,751 4.78,752 4.407,753 3.056,754 0.667,755 18,756 4.396,757 0.006,758 1.918,759 8.389,760 7.818,761 0.003,762 6.153,763 -0.002,764 2.889,765 34.667,766 0.004,769 47.084,770 31.08,771 54.706,773 50.29,775 31.08,776 97.374,777 54.706,778 8.396,779 21.135,781 92.17,782 21.87,783 4.276,784 35.313,786 47.084,787 85.786,788 50.29,790 47.084,791 50.29,793 51.624,794 17.377,795 16.786,797 47.084,798 104.996,799 31.08,801 47.084,802 14.065,803 20.139,804 34.796,805 67.075,806 47.084,807 104.996,808 31.08,809 0.6,810 0.375,811 0.188,812 0.085,813 11,814 5,817 1,818 1.222,819 2.319,820 73.474,821 0.222,822 9,823 43.02,825 7.307,826 2.317,827 0.942,829 88.21,830 1.363,831 3.761,832 2.648,833 0.611,835 34.796,836 183.16,837 17.5,840 22.282,842 -0.841,843 18.945,844 20.827,845 0.454,846 0.883,847 0.937,848 0.937,849 0.937,850 0.937,851 4.163,852 -1.151,853 5.069,854 -0.951,855 3.664,856 4.151,857 2.123,858 5.932,859 3.568,860 5.379,861 -1.352,862 6.678,863 -2.726,864 3.434,865 4.06,866 1.305,867 6.94,868 3.33,869 6.701,870 -1.466,871 8.389,872 -3.51,873 5.313,874 6.28,875 2.734,876 10.062,877 5.125,878 8.06,879 -1.632,880 10.155,881 -4.185,882 5.889,883 7.024,884 2.523,885 11.844,886 5.689,887 9.45,888 -1.928,889 11.953,890 -5.445,891 7.283,892 8.72,893 3.557,894 14.506,895 7.012,896 10.862,897 -2,898 13.773,899 -5.52,900 8.192,901 9.825,902 3.693,903 16.604,904 7.901,905 12.291,907 15.608,908 -7.503,909 9.422,910 11.331,911 4.508,912 19.101,913 9.073,914 3.175,916 17.455,918 10.472,919 12.597,920 4.834,921 21.343,922 10.094,923 2.438,924 10.7,925 19.311,927 11.647,928 14.032,929 5.528,930 23.771,931 11.22,932 2.007,933 7.691,934 21.173,935 4.031,936 12.756,937 15.368,938 5.956,939 26.079,940 12.294,941 1.142,942 5.971,943 23.042,944 3.036,945 13.914,946 16.776,947 6.583,948 28.477,949 13.408,950 0.858,951 2.563,952 24.915,953 2.53,954 15.048,955 18.144,956 7.065,957 30.817,958 14.504,959 0.289,960 2.264,961 26.793,962 1.599,963 16.201,964 19.542,965 7.656,966 33.201,967 15.615,968 -0.38,969 0.651,970 28.674,971 1.187,972 17.346,973 20.924,974 8.166,975 35.556,976 16.721,977 786,978 1658,979 8.266,980 11.693,981 20.425,982 21.698,983 21.029,984 19.843,985 19.818,986 25.552,987 5.995,988 59.679,989 18.876,990 5.408,991 5.773,992 6.192,993 5.209,994 5.175,995 6.703,996 3.025,997 18.203,998 4.932,999 5.929,1000 1.571,1001 1.669,1002 1.618,1003 1.526,1004 1.524,1005 1.966,1006 0.461,1007 4.591,1008 1.452,1009 3.987,1010 4.042,1011 3.959,1012 3.759,1013 7.445,1014 3.804,1015 3.497,1016 3.567,1017 3.428,1018 3.201,1019 7.412,1020 3.246,1021 3.074,1022 3.124,1023 3.028,1024 2.728,1025 4.954,1026 2.795,1027 2.906,1028 2.959,1029 2.682,1030 2.627,1031 4.046,1032 2.635,1033 2.401,1034 2.459,1035 2.285,1036 2.118,1037 3.786,1038 2.145,1039 2.14,1040 2.264,1041 2.014,1042 1.679,1043 3.447,1044 1.754,1045 1.777,1046 1.89,1047 1.485,1048 1.293,1049 2.767,1050 1.318,1051 1.198,1052 1.247,1053 1.088,1054 0.534,1055 2.543,1056 0.679,1057 0.344,1058 0.3,1059 0.516,1060 0.318,1061 0.244,1062 4.466,1063 0.31,1064 3.894,1065 0.133,1066 6.702,1067 0.823,1068 4.136,1069 0.234,1070 3.175,1071 4.031,1072 1.725,1073 10.7,1074 3.046,1075 1.686,1076 1.646,1077 1.781,1078 1.95,1079 0.83,1080 1.899,1081 1.35,1082 1.262,1083 1.553,1084 1.673,1085 0.579,1086 1.64,1087 1.167,1088 1.087,1089 1.412,1090 1.422,1091 0.342,1092 1.434,1093 0.822,1094 0.791,1095 0.95,1096 1.19,1098 1.115,1099 0.516,1100 0.479,1101 0.689,1102 0.895,1104 0.834,1107 0.326,1108 0.388,1110 0.36,1113 0.034,1114 0.011,1116 0.057,1123 3.296,1125 4.635,1126 2.398,1127 6.18,1128 4.595,1129 7.825,1130 6.605,1131 9.523,1132 1.398,1137 2.468,1140 0.975,1144 12.042,1145 34.039,1146 66.304,1147 70.304,1148 70.304,1149 70.304,1150 70.304,1151 17.219,1152 5.421,1153 83.54,1154 83.54,1155 11,1156 11.795,1157 3,1158 2.459,1159 16.943,1160 23,1161 13,1162 0.457,1163 76.998,1164 127.76,1165 179.635,1166 1059,1168 8.715,1169 0.726,1170 0.524,1171 8.715,1172 6.288,1173 5.698,1174 0.438,1175 0.256,1176 3.215,1177 5.277,1178 3.154,1179 2.625,1180 5.698,1181 3.323,1182 5.286,1183 0.278,1184 0.127,1185 5.286,1186 2.42,1187 4.795,1188 0.184,1189 0.065,1190 4.795,1191 1.683,1192 3.651,1193 0.114,1194 0.031,1195 3.651,1196 0.994,1197 2.42,1198 0.071,1199 0.016,1200 2.42,1201 0.548,1202 0.632,1203 37.283,1204 0.348,1205 11.534,1206 1.516,1207 64,1208 263.427,1209 76.616,1210 247.176,1211 327.44,1212 228,1213 77,1214 237.132,1215 90.117,1216 236.229,1217 347.43,1218 220,1219 4.173} {0 CHEMBL127167,1 1.837,2 4.692,3 -0.44,4 0.194,5 42.978,6 8.58,7 0.357,8 3.216,9 3.346,10 2.883,11 2.587,12 4.467,13 2.655,14 3.722,15 3.903,16 3.268,17 2.954,18 5.021,19 2.999,20 3.867,21 4.063,22 3.288,23 2.967,24 5.228,25 3.03,26 3.809,27 3.956,28 3.17,29 2.826,30 5.529,31 2.885,32 3.627,33 3.844,34 2.364,35 2.441,36 5.041,37 2.407,38 2.951,39 3.234,40 1.477,41 1.958,42 3.829,43 1.791,44 2.528,45 2.865,46 0.556,47 1.434,48 3.114,49 1.161,50 1.844,51 2.277,52 0.042,53 0.626,54 1.946,55 0.348,56 0.117,57 0.342,58 3.409,59 1.141,60 8.577,61 1.679,62 0.318,63 0.494,64 7.322,65 2.141,66 18.324,67 3.175,68 0.376,69 0.48,70 9.534,71 2.382,72 40.824,73 3.477,74 0.494,75 0.392,76 8.505,77 2.307,78 66.525,79 2.99,80 0.478,81 0.252,82 9.218,83 1.709,84 69.53,85 2.312,86 0.149,87 0.15,88 4.477,89 1.06,90 15.951,91 1.793,92 0.093,93 0.074,94 3.344,95 0.75,96 6.75,97 1.392,98 0.057,99 0.017,100 2.384,101 0.406,102 7.302,103 0.879,104 11,105 20,106 0.389,107 0.772,108 0.861,109 0.861,110 0.861,111 0.861,112 2.672,113 0.836,114 -1.23,115 -1.32,116 -1.39,117 33.3,118 1,123 1,133 1,139 1,140 1,141 1,142 1,152 2,153 1,155 3,156 1,161 2,164 1,170 1,171 2,174 4,176 1,182 1,183 1,198 1,231 102,232 8.715,233 8.715,234 8.715,235 8.715,236 8.715,237 7.896,238 12.384,239 4.956,240 8.999,241 6.8,242 6.8,243 6.8,244 6.8,245 6.8,246 5.443,247 16.277,248 2.199,249 7.181,250 2.555,251 0.743,252 0.322,253 0.322,254 0.322,255 0.322,256 3.3,262 127,263 1.871,265 23.591,266 27.215,269 42.612,270 0.793,271 19.491,274 0.83,275 0.83,276 0.8,278 1,279 1,280 0.78,281 30,282 61,283 4.475,284 3.907,285 6.746,286 4.152,287 3.192,288 4.034,289 1.725,290 10.904,291 3.059,292 3.79,293 3.327,294 5.926,295 3.424,296 2.482,297 3.066,298 1.058,299 8.088,300 2.333,301 3.374,302 2.692,303 5.175,304 2.997,305 2.01,306 2.531,307 0.214,308 5.974,309 1.963,310 2.586,311 1.864,312 3.846,313 2.114,314 1.185,315 1.613,317 2.607,318 1.097,319 2.377,320 1.388,321 3.596,322 1.959,323 1,324 1.286,326 2.478,327 0.949,328 2.08,329 1.034,330 3.23,331 1.599,332 0.618,333 0.832,335 1.265,336 0.599,337 1.03,338 0.432,339 2.598,340 0.775,341 -0.232,342 -0.272,343 -0.403,344 -0.23,345 1,346 0.226,347 2.273,348 0.593,349 -0.418,350 -0.547,351 -0.977,352 -0.416,353 0.211,354 -0.743,355 1.656,356 -0.158,357 -1.164,358 -1.563,359 -2.818,360 -1.159,361 -0.053,362 -0.795,363 1.483,364 -0.473,365 -1.466,366 -1.786,367 -4.1,368 -1.433,369 -0.216,370 -1.338,371 1.357,372 -0.677,373 -1.618,374 -2,376 -4.349,377 -1.53,378 -0.463,379 -1.549,380 1.108,381 -0.714,382 -1.648,383 -2.033,384 -0.64,385 -5.517,386 -1.572,387 -0.749,388 -1.762,389 0.514,390 -1.018,391 -1.939,392 -2.488,393 -1.058,394 -5.641,395 -1.772,396 -0.942,397 -1.883,398 0.491,399 -1.074,400 -2,401 -2.672,402 -1.299,403 -7.511,404 -1.888,414 5.767,415 0.444,416 0.35,417 0.027,418 17.25,419 1.327,420 7.5,421 0.577,422 9.75,423 0.75,424 7.152,425 0.55,426 14.633,427 0.697,428 10.53,429 0.81,430 3.52,431 0.271,432 2.716,433 0.209,434 0.202,436 0.416,437 0.819,438 1.887,439 0.669,440 1.285,441 0.544,442 0.956,443 0.492,444 0.988,445 0.639,446 0.878,447 0.531,448 0.808,449 0.997,450 1.008,451 0.756,452 0.944,453 0.959,454 0.783,455 1.193,456 1.106,457 1.121,458 1.264,459 1.412,460 1.211,461 1.977,462 0.639,463 1.697,464 0.753,465 2.141,466 1.114,467 0.779,468 0.866,469 1.388,470 1.148,471 0.524,472 1.393,473 0.428,474 0.729,475 1.205,476 1.153,477 0.163,478 1.363,485 2.5,487 2,488 1.313,489 0.916,490 0.222,491 0.056,495 897,496 3323,497 1.992,498 38.1,500 2,502 1,503 2,505 3,507 1.493,508 1.814,509 2.326,510 0.754,515 38.587,516 1.837,517 3.649,518 4.071,519 4.071,520 4.071,521 4.071,522 1.826,523 3.085,524 3.677,525 2.341,526 182.572,527 6.128,528 1348.12,533 92.239,534 1.549,535 3.601,536 0.179,538 0.1,539 0.066,540 0.057,541 0.037,542 0.028,546 0.466,547 0.67,548 1,549 1.057,550 45.574,551 -0.188,552 -0.6,553 0.02,554 -0.22,555 -0.061,556 -0.053,557 0.264,558 0.161,559 0.192,560 0.097,561 0.065,562 0.106,563 -0.06,564 -0.01,565 0.173,566 0.005,567 -0.036,568 0.152,569 0.079,570 -0.148,571 -0.195,572 -0.316,573 0.084,574 -0.346,575 -0.595,576 0.084,577 -0.606,578 0.103,579 -0.496,580 -0.214,581 -0.13,582 -0.03,583 -0.366,584 -0.199,585 -0.051,586 -0.323,587 0.124,588 -0.052,589 -0.054,590 -0.213,591 0.12,592 -0.182,593 0.644,594 0.22,595 1.565,596 0.937,597 0.426,598 1.459,599 2.079,600 4.502,601 0.692,602 5.396,603 1.039,604 1.154,605 -0.003,607 0.641,608 2.708,609 3.045,610 3.367,611 3.611,612 3.638,613 3.664,614 3.497,615 3.296,616 2.485,617 1.609,618 3.105,619 0.646,620 180.19,621 2.708,622 4.234,623 5.106,624 5.999,625 6.884,626 7.782,627 8.671,628 9.569,629 10.458,630 11.356,631 19,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 21,649 7,651 14,652 22,653 7,654 3,657 1,659 2,660 3,662 1,663 1,670 5,671 2,673 2,676 2,678 2,681 8,682 5,683 2,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 1,715 13,719 1,720 1,723 1,729 9.5,732 2,735 7.167,736 4.067,737 2.944,738 1.296,739 1.218,740 1.219,741 0.97,742 1.811,743 6.787,744 2.97,745 3.504,746 4.05,747 4.562,748 4.652,749 4.933,750 4.953,751 4.956,752 4.577,753 3.446,754 1,755 20,756 4.787,757 -0.003,758 2.071,759 8.282,760 8.634,761 -0.001,762 6.808,763 0.001,764 2.782,765 36.167,766 0.003,769 70.627,770 33.615,771 54.706,773 50.29,775 33.615,776 120.916,777 54.706,778 8.825,779 23.241,781 92.17,782 21.87,783 4.276,784 58.856,786 70.627,787 88.321,788 50.29,790 35.313,791 85.603,793 62.555,794 8.98,795 16.786,797 70.627,798 104.996,799 33.615,801 70.627,802 16.171,803 20.568,804 34.796,805 67.075,806 70.627,807 104.996,808 33.615,809 0.584,810 0.377,811 0.209,812 0.088,813 11,814 5,815 0.045,816 1,817 1,818 1.222,819 2.421,820 81.988,821 0.222,822 9,823 48.106,825 8.257,826 2.851,827 1.122,829 88.21,830 1.377,831 3.809,832 2.673,833 0.64,835 34.796,836 209.237,837 18.5,840 22.745,842 -0.772,843 21.829,844 24.242,845 0.418,846 0.831,847 0.927,848 0.927,849 0.927,850 0.927,851 4.208,852 -0.418,853 5.118,854 -0.403,855 3.714,856 4.182,857 2.123,858 5.989,859 3.618,860 5.411,861 -1.164,862 6.725,863 -0.977,864 3.434,865 4.06,866 1.305,867 7.029,868 3.33,869 6.729,870 -1.466,871 8.435,872 -2.818,873 5.361,874 6.299,875 2.734,876 10.15,877 5.169,878 8.085,879 -1.618,880 10.203,881 -4.1,882 5.916,883 7.033,884 2.523,885 11.976,886 5.711,887 9.475,888 -1.648,889 12.006,890 -4.349,891 7.332,892 8.734,893 3.557,894 14.63,895 7.054,896 10.887,897 -1.939,898 13.832,899 -5.517,900 8.238,901 9.837,902 3.693,903 16.767,904 7.938,905 12.317,906 -2,907 15.674,908 -5.641,909 9.477,910 11.344,911 4.508,912 19.262,913 9.119,914 3.192,916 17.528,917 -7.511,918 10.529,919 12.609,920 4.834,921 21.534,922 10.14,923 2.482,924 10.904,925 19.39,927 11.71,928 14.043,929 5.528,930 23.968,931 11.271,932 2.01,933 8.088,934 21.259,935 4.034,936 12.822,937 15.38,938 5.956,939 26.301,940 12.348,941 1.185,942 5.974,943 23.134,944 3.066,945 13.984,946 16.788,947 6.583,948 28.709,949 13.466,950 1,951 2.607,952 25.014,953 2.531,954 15.123,955 18.155,956 7.065,957 31.071,958 14.566,959 0.618,960 2.478,961 26.897,962 1.613,963 16.281,964 19.554,965 7.656,966 33.469,967 15.681,968 -0.232,969 1.265,970 28.784,971 1.286,972 17.43,973 20.936,974 8.166,975 35.844,976 16.79,977 976,978 1950,979 8.959,980 13.455,981 21.506,982 22.596,983 22.754,984 20.92,985 20.973,986 26.724,987 5.995,988 62.633,989 20,990 5.417,991 5.791,992 6.255,993 5.226,994 5.192,995 6.706,996 3.025,997 18.415,998 4.947,999 6.434,1000 1.536,1001 1.614,1002 1.625,1003 1.494,1004 1.498,1005 1.909,1006 0.428,1007 4.474,1008 1.429,1009 3.991,1010 4.046,1011 3.963,1012 3.765,1013 7.445,1014 3.81,1015 3.57,1016 3.646,1017 3.473,1018 3.337,1019 7.412,1020 3.35,1021 3.211,1022 3.279,1023 3.071,1024 2.923,1025 4.954,1026 2.955,1027 3.029,1028 3.043,1029 2.966,1030 2.694,1031 4.11,1032 2.768,1033 2.481,1034 2.587,1035 2.33,1036 2.214,1037 3.837,1038 2.222,1039 2.301,1040 2.401,1041 2.059,1042 1.951,1043 3.518,1044 1.939,1045 2.125,1046 2.244,1047 1.913,1048 1.669,1049 3.088,1050 1.737,1051 1.777,1052 1.89,1053 1.485,1054 1.292,1055 2.758,1056 1.318,1057 0.32,1058 0.279,1059 0.482,1060 0.297,1061 0.228,1062 4.475,1063 0.288,1064 3.907,1065 0.123,1066 6.746,1067 0.779,1068 4.152,1069 0.219,1070 3.192,1071 4.034,1072 1.725,1073 10.904,1074 3.059,1075 1.711,1076 1.668,1077 1.866,1078 1.965,1079 1.03,1080 1.924,1081 1.423,1082 1.34,1083 1.636,1084 1.701,1085 0.694,1086 1.692,1087 1.31,1088 1.234,1089 1.47,1090 1.576,1091 0.373,1092 1.565,1093 0.882,1094 0.859,1095 1.046,1096 1.211,1097 0.156,1098 1.14,1099 0.658,1100 0.603,1101 0.932,1102 1.034,1104 1.004,1105 0.301,1106 0.183,1107 0.652,1108 0.695,1110 0.711,1113 0.324,1114 0.386,1116 0.358,1119 0.034,1120 0.011,1122 0.056,1123 3.367,1125 4.691,1126 2.398,1127 6.232,1128 4.595,1129 7.88,1130 6.605,1131 9.583,1132 1.731,1136 0.344,1137 2.519,1140 1.1,1144 13.569,1145 38.587,1146 76.629,1147 85.484,1148 85.484,1149 85.484,1150 85.484,1151 20.267,1152 5.568,1153 83.54,1154 83.54,1155 11,1156 11.881,1157 3,1158 2.459,1159 18.968,1160 26,1161 21,1162 0.433,1163 86.59,1164 145.06,1165 203.04,1166 1288,1168 9.422,1169 0.725,1170 0.538,1171 9.422,1172 6.995,1173 6.236,1174 0.445,1175 0.279,1176 3.795,1177 5.814,1178 3.738,1179 3.105,1180 6.236,1181 3.899,1182 5.499,1183 0.275,1184 0.13,1185 5.499,1186 2.606,1187 4.945,1188 0.177,1189 0.067,1190 4.945,1191 1.88,1192 4.313,1193 0.12,1194 0.034,1195 4.313,1196 1.233,1197 2.566,1198 0.069,1199 0.017,1200 2.566,1201 0.621,1202 0.608,1203 40.427,1204 0.334,1205 12.595,1206 1.415,1207 68,1208 267.427,1209 80.949,1210 250.729,1211 334.58,1212 232,1213 82,1214 244.484,1215 95.283,1216 241.613,1217 358.4,1218 227,1219 4.469} {0 CHEMBL130969,1 1.689,2 6.25,3 1.023,4 1.046,5 58.31,6 7.409,7 0.294,8 3.514,9 3.653,10 3.069,11 2.909,12 4.639,13 2.925,14 4.072,15 4.287,16 3.437,17 3.292,18 5.169,19 3.28,20 4.251,21 4.469,22 3.539,23 3.385,24 5.432,25 3.375,26 4.333,27 4.544,28 3.481,29 3.324,30 5.779,31 3.329,32 4.145,33 4.376,34 3.082,35 3.234,36 5.242,37 3.151,38 4.122,39 4.392,40 2.691,41 3.073,42 5.137,43 2.923,44 3.833,45 4.129,46 2.21,47 2.712,48 4.785,49 2.534,50 3.407,51 3.721,52 1.411,53 2.229,54 4.297,55 1.956,56 0.06,57 0.462,58 6.333,59 2.024,60 5.912,61 3.278,62 0.36,63 0.685,64 12.903,65 3.524,66 17.379,67 5.683,68 0.286,69 0.732,70 15.669,71 4.433,72 27.086,73 7.014,74 0.694,75 0.696,76 18.307,77 3.692,78 95.685,79 6.043,80 0.339,81 0.613,82 14.433,83 3.767,84 35.079,85 6.077,86 0.351,87 0.509,88 15.074,89 3.821,90 47.595,91 6.208,92 0.297,93 0.345,94 11.721,95 2.75,96 38.962,97 4.583,98 0.155,99 0.196,100 7.611,101 2.024,102 19.859,103 3.331,104 20,105 24,106 0.328,107 0.636,108 0.827,109 0.852,110 0.852,111 0.852,112 2.855,113 0.934,114 -2.59,115 -2.61,116 -2.54,117 33.3,118 1,119 2,122 1,123 1,134 1,138 1,140 1,141 1,142 1,150 2,152 5,153 1,155 1,158 1,162 1,164 3,170 5,171 4,183 3,186 1,188 1,193 4,198 1,203 1,208 1,212 1,231 238,232 10.682,233 10.682,234 10.682,235 10.682,236 10.682,237 9.912,238 13.007,239 6.302,240 10.974,241 8.285,242 8.285,243 8.285,244 8.285,245 8.285,246 6.952,247 16.305,248 2.872,249 8.709,250 3.217,251 1.634,252 0.65,253 0.517,254 0.517,255 0.517,256 3.496,261 1,262 204,263 2.449,265 30.375,266 37.497,269 57.083,270 0.906,271 21.883,274 1,275 1,276 1,277 0.5,278 1,279 1,280 0.93,281 36,282 100,283 4.555,284 3.973,285 6.952,286 4.251,287 3.3,288 4.091,289 1.761,290 11.635,291 3.134,292 3.781,293 3.39,294 5.947,295 3.401,296 2.442,297 3.073,298 1.083,299 8.024,300 2.342,301 3.608,302 2.855,303 5.924,304 3.343,305 2.394,306 2.769,307 0.526,308 7.875,309 2.251,310 2.745,311 1.958,312 4.089,313 2.538,314 1.542,315 1.768,316 0.064,317 3.31,318 1.532,319 2.5,320 1.663,321 3.951,322 2.14,323 1.203,324 1.5,326 2.575,327 1.121,328 2.317,329 1.406,330 3.476,331 1.809,332 0.874,333 1.195,335 2.341,336 0.81,337 1.92,338 1.032,339 3.216,340 1.604,341 0.618,342 0.746,343 1.278,344 0.605,345 1.737,346 0.827,347 2.782,348 1.288,349 0.261,350 0.342,351 0.545,352 0.262,353 1.01,354 0.141,355 2.297,356 0.832,357 -0.168,358 -0.192,359 -0.295,360 -0.166,361 0.329,362 -0.473,363 2,364 -0.018,365 -1,366 -1.119,367 -2.064,368 -0.96,370 -0.595,371 1.601,372 -0.194,373 -1.211,374 -1.42,376 -2.736,377 -1.231,378 -0.056,379 -0.947,380 1.5,381 -0.432,382 -1.361,383 -1.623,385 -3.356,386 -1.26,387 -0.169,388 -1.134,389 1.295,390 -0.473,391 -1.466,392 -1.925,394 -4.176,395 -1.433,396 -0.316,397 -1.549,398 1.203,399 -0.673,400 -1.618,401 -2,402 -0.4,403 -4.884,404 -1.563,405 -0.657,406 -1.672,407 1.098,408 -0.904,409 -1.854,410 -2.035,411 -0.66,412 -5.967,413 -1.748,414 7.267,415 0.454,416 0.422,417 0.026,418 19,419 1.188,420 7.5,421 0.469,422 11.5,423 0.719,424 11.619,425 0.726,426 18.533,427 0.618,428 12.541,429 0.784,430 3.653,431 0.228,432 4.011,433 0.251,434 0.229,436 0.385,437 0.737,438 1.961,439 0.767,440 1.433,441 0.516,442 1.136,443 0.539,444 0.933,445 0.726,446 0.848,447 0.509,448 0.819,449 0.746,450 1.262,451 0.673,452 1.165,453 0.786,454 0.935,455 1.5,456 0.865,457 1.13,458 0.775,459 1.592,460 0.861,461 1.081,462 1.052,463 1.249,464 1.166,465 0.946,466 1.222,467 1.145,468 0.942,469 1.244,470 1.094,471 1.159,472 1.185,473 1.179,474 0.709,475 1.22,476 0.884,477 1.169,478 1.042,479 0.806,480 0.903,481 1.164,482 1.231,483 0.857,484 1.287,485 2.5,487 2.444,488 1.431,489 1.392,490 0.497,491 0.198,492 0.1,495 1594,496 4678,497 1.958,498 46.7,499 5,500 5,502 1,503 1,505 2,507 1.56,508 1.778,509 2.621,510 -0.107,512 1,514 1,515 50.684,516 1.689,517 3.273,518 4.257,519 4.39,520 4.39,521 4.39,522 2.127,523 3.875,524 3.967,525 2.703,526 324.305,527 6.724,528 2736.62,530 1,533 147.207,534 1.561,535 3.895,536 0.147,538 0.102,539 0.055,540 0.061,541 0.033,542 0.022,543 0.02,546 0.439,547 0.67,548 1,549 1.5,550 62.514,551 -0.073,552 -0.6,553 0.056,554 -0.258,555 -0.022,556 -0.098,557 0.265,558 0.233,559 0.191,560 0.154,561 0.075,562 0.149,563 0.139,564 -0.216,565 0.264,566 -0.131,567 0.083,568 0.067,569 -0.049,570 0.105,571 -0.097,572 0.106,573 0.032,574 0.009,575 -0.176,576 -0.012,577 -0.316,578 -0.181,579 -0.087,580 -0.259,581 -0.213,582 -0.074,583 -0.271,584 -0.141,585 -0.171,586 -0.21,587 -0.223,588 0.079,589 -0.216,590 0.017,591 -0.174,592 -0.082,593 -0.032,594 -0.183,595 -0.181,596 -0.29,597 -0.057,598 -0.275,599 1.995,600 4.879,601 0.563,602 8.875,603 1.016,604 1.15,605 1.357,606 1.841,607 0.625,608 2.89,609 3.219,610 3.555,611 3.807,612 3.951,613 4.007,614 3.871,615 3.714,616 3.296,617 2.773,618 3.789,619 0.605,620 222.28,621 2.89,622 4.419,623 5.293,624 6.188,625 7.089,626 7.995,627 8.903,628 9.813,629 10.723,630 11.634,631 13.3,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 30,649 7,651 17,652 31,653 10,654 3,657 1,659 2,660 3,662 1,663 1,668 2,670 5,671 5,673 2,676 2,678 2,680 1,681 14,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 16,719 3,723 2,729 6.7,732 2,735 9,736 6.017,737 3.667,738 1.971,739 1.171,740 1.197,741 0.942,742 2.965,743 7.121,744 3.114,745 3.618,746 4.18,747 4.671,748 4.875,749 5.16,750 5.184,751 5.215,752 5.03,753 4.456,754 1,755 26,756 5.935,758 2.513,759 8.042,760 11.049,762 8.757,764 2.542,765 40.667,766 0.002,769 153.024,770 47.08,771 39.82,773 50.29,775 47.08,776 203.314,777 39.82,778 17.222,779 13.423,781 92.17,782 16.786,783 9.36,784 141.253,786 153.024,787 86.9,788 50.29,790 129.482,791 73.832,793 47.653,794 22.462,795 16.786,797 153.024,798 90.11,799 47.08,801 153.024,802 21.24,803 32.089,804 16.786,805 67.075,806 153.024,807 90.11,808 47.08,809 0.576,810 0.365,811 0.199,812 0.106,813 12,814 6,815 0.097,816 3,817 1,818 1.222,819 2.691,820 109.626,821 0.222,822 9,823 64,825 11.144,826 4.257,827 1.749,829 73.324,830 1.438,831 4.028,832 2.769,833 0.833,835 16.786,836 290.214,837 21.5,840 23.594,842 -0.636,843 30.48,844 34.488,845 0.344,846 0.667,847 0.867,848 0.895,849 0.895,850 0.895,851 4.36,852 0.261,853 5.303,854 1.278,855 3.892,856 4.297,857 2.197,858 6.192,859 3.795,860 5.549,861 -0.168,862 6.923,863 0.545,864 3.611,865 4.159,866 1.404,867 7.273,868 3.476,869 6.862,870 -1,871 8.651,872 -0.295,873 5.549,874 6.39,875 2.804,876 10.444,877 5.344,878 8.218,879 -1.211,880 10.441,881 -2.064,882 6.133,883 7.143,884 2.647,885 12.319,886 5.888,887 9.614,888 -1.361,889 12.266,890 -2.736,891 7.554,892 8.832,893 3.665,894 15.03,895 7.244,896 11.035,897 -1.466,898 14.115,899 -3.356,900 8.494,901 9.957,902 3.851,903 17.22,904 8.14,905 12.475,906 -1.618,907 15.98,908 -4.176,909 9.749,910 11.462,911 4.661,912 19.778,913 9.336,914 3.3,915 -1.854,916 17.857,917 -4.884,918 10.836,919 12.746,920 5.029,921 22.11,922 10.376,923 2.442,924 11.635,925 19.742,926 -5.967,927 12.041,928 14.185,929 5.726,930 24.609,931 11.525,932 2.394,933 8.024,934 21.635,935 4.091,936 13.188,937 15.539,938 6.188,939 27.006,940 12.623,941 1.542,942 7.875,943 23.534,944 3.073,945 14.38,946 16.956,947 6.825,948 29.48,949 13.762,950 1.203,951 3.31,952 25.437,953 2.769,954 15.553,955 18.34,956 7.336,957 31.908,958 14.884,959 0.874,960 2.575,961 27.345,962 1.768,963 16.743,964 19.75,965 7.94,966 34.371,967 16.022,968 0.618,969 2.341,970 29.258,971 1.5,972 17.927,973 21.147,974 8.477,975 36.813,976 17.155,977 1720,978 3063,979 10.751,980 18.739,981 26.093,982 27.43,983 27.579,984 25.313,985 25.267,986 30.969,987 6.869,988 75.164,989 24.112,990 5.504,991 5.859,992 6.811,993 5.324,994 5.3,995 6.77,996 3.071,997 19.635,998 5.022,999 8.867,1000 1.535,1001 1.614,1002 1.622,1003 1.489,1004 1.486,1005 1.822,1006 0.404,1007 4.421,1008 1.418,1009 4.01,1010 4.063,1011 3.981,1012 3.79,1013 7.444,1014 3.832,1015 3.654,1016 3.729,1017 3.5,1018 3.501,1019 7.411,1020 3.486,1021 3.486,1022 3.557,1023 3.396,1024 3.198,1025 4.945,1026 3.24,1027 3.22,1028 3.309,1029 3.077,1030 2.979,1031 4.176,1032 2.979,1033 2.886,1034 2.966,1035 2.758,1036 2.608,1037 4.011,1038 2.63,1039 2.879,1040 2.896,1041 2.627,1042 2.578,1043 3.779,1044 2.601,1045 2.487,1046 2.578,1047 2.308,1048 2.186,1049 3.508,1050 2.197,1051 2.29,1052 2.419,1053 2.003,1054 2.001,1055 3.243,1056 1.977,1057 0.268,1058 0.234,1059 0.409,1060 0.25,1061 0.194,1062 4.555,1063 0.241,1064 3.973,1065 0.104,1066 6.952,1067 0.684,1068 4.251,1069 0.184,1070 3.3,1071 4.091,1072 1.761,1073 11.635,1074 3.134,1075 1.766,1076 1.716,1077 1.977,1078 1.994,1079 1.268,1080 1.971,1081 1.613,1082 1.554,1083 1.778,1084 1.825,1085 0.884,1086 1.834,1087 1.341,1088 1.257,1089 1.572,1090 1.655,1091 0.712,1092 1.625,1093 1.217,1094 1.12,1095 1.531,1096 1.492,1097 0.555,1098 1.52,1099 1.09,1100 1.012,1101 1.346,1102 1.331,1103 0.347,1104 1.349,1105 0.734,1106 0.699,1107 1.032,1108 1.077,1109 0.174,1110 1.029,1111 0.552,1112 0.5,1113 0.8,1114 0.925,1116 0.901,1117 0.382,1118 0.281,1119 0.692,1120 0.764,1122 0.751,1123 3.555,1125 4.875,1126 2.398,1127 6.415,1128 4.595,1129 8.072,1130 6.629,1131 9.795,1132 3.53,1136 2.464,1140 2.646,1144 18.149,1145 50.684,1146 98.187,1147 127.697,1148 131.697,1149 131.697,1150 131.697,1151 29.972,1152 5.951,1153 72.68,1154 72.68,1155 11,1156 12.149,1157 3,1158 2.459,1159 25.703,1160 36,1161 44,1162 0.386,1163 115.367,1164 196.96,1165 273.256,1166 2127,1168 11.707,1169 0.732,1170 0.585,1171 11.707,1172 9.357,1173 7.664,1174 0.451,1175 0.311,1176 5.176,1177 7.218,1178 5.032,1179 4.242,1180 7.664,1181 5.294,1182 6.642,1183 0.277,1184 0.156,1185 6.642,1186 3.753,1187 6.075,1188 0.179,1189 0.078,1190 6.075,1191 2.647,1192 4.767,1193 0.108,1194 0.038,1195 4.767,1196 1.693,1197 3.471,1198 0.068,1199 0.021,1200 3.471,1201 1.078,1202 0.557,1203 49.206,1204 0.305,1205 15.627,1206 1.209,1207 82,1208 286.739,1209 95.309,1210 269.695,1211 362.36,1212 250,1213 99,1214 266.399,1215 113.948,1216 265.554,1217 394.8,1218 248,1219 5.319} {0 CHEMBL131275,1 1.579,2 7.474,3 2.101,4 4.415,5 72.479,6 6.779,7 0.25,8 3.744,9 3.887,10 3.226,11 3.153,12 4.782,13 3.137,14 4.332,15 4.564,16 3.586,17 3.538,18 5.315,19 3.494,20 4.534,21 4.773,22 3.728,23 3.673,24 5.584,25 3.629,26 4.631,27 4.859,28 3.745,29 3.669,30 5.936,31 3.643,32 4.514,33 4.74,34 3.501,35 3.633,36 5.588,37 3.56,38 4.53,39 4.776,40 3.202,41 3.572,42 5.531,43 3.435,44 4.431,45 4.724,46 2.834,47 3.348,48 5.339,49 3.153,50 4.186,51 4.503,52 2.369,53 3.028,54 5.033,55 2.803,56 0.012,57 0.58,58 9.066,59 3.002,60 4.379,61 4.798,62 0.375,63 0.874,64 17.736,65 4.937,66 18.504,67 8.028,68 0.249,69 0.984,70 21.68,71 6.234,72 21.817,73 9.992,74 0.669,75 0.999,76 25.038,77 5.584,78 93.626,79 9.368,80 0.378,81 0.943,82 21.582,83 5.517,84 39.194,85 9.065,86 0.375,87 0.869,88 22.093,89 5.944,90 50.346,91 9.53,92 0.318,93 0.678,94 20.231,95 5.58,96 45.226,97 8.973,98 0.321,99 0.473,100 16.151,101 4.362,102 45.29,103 6.916,104 35,105 28,106 0.288,107 0.528,108 0.751,109 0.824,110 0.852,111 0.852,112 3.012,113 1.014,114 -3.43,115 -3.41,116 -3.26,117 33.3,118 2,119 3,122 1,123 2,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 2,158 1,161 3,162 2,170 5,171 5,182 1,183 8,193 6,203 5,210 1,212 1,219 2,222 1,229 2,231 403,232 12.759,233 12.759,234 12.759,235 12.759,236 12.759,237 11.989,238 17.751,239 7.621,240 13.087,241 9.734,242 9.734,243 9.734,244 9.734,245 9.734,246 8.332,247 22.25,248 3.414,249 10.236,250 3.706,251 2.397,252 1.174,253 0.776,254 0.622,255 0.622,256 3.661,260 1,261 1,262 285,263 2.915,265 38.081,266 46.359,269 71.346,270 1.235,271 23.4,272 1,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 42,282 142,283 4.636,284 3.983,285 7.07,286 4.308,287 3.359,288 4.247,289 1.761,290 12.111,291 3.183,292 3.932,293 3.41,294 6.212,295 3.593,296 2.654,297 3.204,298 1.083,299 8.953,300 2.486,301 3.611,302 2.969,303 5.925,304 3.341,305 2.395,306 2.781,307 0.526,308 7.885,309 2.256,310 3.133,311 2.377,312 5.029,313 2.814,314 1.84,315 2.259,316 0.064,317 5.419,318 1.781,319 2.573,320 1.666,321 4.091,322 2.377,323 1.39,324 1.575,326 3.111,327 1.365,328 2.392,329 1.659,330 3.81,331 2.265,332 1.292,333 1.385,335 2.532,336 1.254,337 2.315,338 1.33,339 3.429,340 1.892,341 0.959,342 1.217,343 2.162,344 0.891,345 1.814,346 1.034,347 3.097,348 1.401,349 0.389,350 0.498,351 0.835,352 0.388,353 1.628,354 0.847,355 2.881,356 1.357,357 0.36,358 0.412,359 0.678,360 0.353,361 1.295,362 0.287,363 2.347,364 1.11,365 0.108,366 0.126,367 0.184,368 0.108,369 0.56,370 -0.291,371 2,372 0.363,373 -0.617,374 -0.67,376 -1.13,377 -0.599,378 0.292,379 -0.389,380 2,381 0.101,382 -0.883,383 -0.979,385 -1.696,386 -0.857,387 0.07,388 -0.75,389 1.779,390 -0.206,391 -1.21,392 -1.395,394 -2.684,395 -1.205,396 -0.099,397 -0.865,398 1.526,399 -0.397,400 -1.339,401 -1.574,403 -3.305,404 -1.256,405 -0.208,406 -1.136,407 1.293,408 -0.471,409 -1.462,410 -1.798,412 -4.269,413 -1.428,414 8.767,415 0.461,416 0.473,417 0.025,418 20.75,419 1.092,420 7.5,421 0.395,422 13.25,423 0.697,424 16.685,425 0.878,426 22.433,427 0.575,428 14.521,429 0.764,430 3.751,431 0.197,432 5.362,433 0.282,434 0.247,436 0.365,437 0.697,438 2.007,439 0.846,440 1.515,441 0.511,442 1.241,443 0.592,444 0.975,445 0.788,446 0.875,447 0.494,448 0.854,449 0.737,450 1.224,451 0.684,452 1.071,453 0.755,454 0.89,455 1.419,456 0.969,457 1.039,458 0.825,459 1.463,460 0.854,461 1.358,462 1.1,463 1.276,464 1.083,465 1.176,466 1.137,467 1.404,468 1.076,469 1.425,470 1.199,471 1.372,472 1.298,473 1.093,474 0.933,475 1.164,476 1.091,477 1.108,478 1.14,479 1.237,480 0.613,481 1.079,482 0.783,483 1.401,484 0.906,485 3,487 2.667,488 1.875,489 1.797,490 0.834,491 0.416,492 0.137,493 0.07,494 0.02,495 2535,496 6267,497 1.935,498 51.3,499 8,500 7,502 1,505 4,507 1.611,508 1.754,509 2.854,510 -0.672,512 1,514 1,515 61.586,516 1.579,517 2.889,518 4.112,519 4.509,520 4.663,521 4.663,522 2.439,523 4.143,524 4.209,525 2.961,526 506.305,527 7.219,528 4815.22,529 1,530 1,532 1,533 206.131,534 1.568,535 4.14,536 0.15,538 0.095,539 0.059,540 0.058,541 0.035,542 0.026,543 0.014,544 0.012,545 0.007,546 0.455,547 0.5,548 1,549 1.638,550 80.284,551 -0.009,552 -0.608,553 0.07,554 -0.273,555 -0.009,556 -0.116,557 0.267,558 0.202,559 0.183,560 0.137,561 0.084,562 0.139,563 0.162,564 -0.156,565 0.282,566 -0.036,567 0.088,568 0.123,569 0.044,570 0.069,571 0.018,572 0.09,573 0.102,574 0.056,575 -0.237,576 0.021,577 -0.28,578 -0.097,579 -0.116,580 -0.175,581 -0.319,582 -0.049,583 -0.444,584 -0.218,585 -0.235,586 -0.334,587 -0.148,588 -0.07,589 -0.201,590 -0.148,591 -0.091,592 -0.178,593 -0.178,594 0.131,595 -0.097,596 0.115,597 -0.159,598 0.032,599 1.958,600 5.239,601 0.474,602 13.717,603 1.003,604 1.147,605 2.201,606 4.845,607 0.616,608 3.045,609 3.367,610 3.714,611 4.007,612 4.205,613 4.304,614 4.29,615 4.22,616 3.97,617 3.611,618 4.399,619 0.583,620 264.37,621 3.045,622 4.575,623 5.451,624 6.354,625 7.263,626 8.181,627 9.1,628 10.023,629 10.946,630 11.871,631 10.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 39,649 7,651 20,652 40,653 13,654 3,657 1,659 2,660 3,662 1,663 2,668 3,670 5,671 8,673 2,676 2,678 2,679 1,680 1,681 20,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 19,719 5,723 2,729 5.1,732 2,735 10.833,736 7.967,737 4.444,738 2.792,739 1.192,740 1.188,741 0.925,742 4.251,743 7.529,744 3.239,745 3.744,746 4.322,747 4.862,748 5.15,749 5.455,750 5.593,751 5.645,752 5.558,753 5.169,754 1,755 32,756 7.083,758 2.952,759 7.877,760 13.464,762 10.689,764 2.377,765 45.167,766 0.001,769 235.422,770 60.546,771 24.933,773 50.29,775 60.546,776 285.712,777 24.933,778 26.047,779 18.064,781 92.17,782 1.899,783 9.36,784 223.651,786 235.422,787 85.479,788 50.29,790 188.338,791 97.374,793 46.232,794 22.462,795 16.786,797 235.422,798 75.223,799 60.546,801 235.422,802 25.88,803 42.813,805 67.075,806 235.422,807 75.223,808 60.546,809 0.567,810 0.359,811 0.207,812 0.119,813 13,814 7,815 0.125,816 5,817 1,818 1.222,819 2.934,820 139.986,821 0.222,822 9,823 80.711,825 14.067,826 5.741,827 2.392,829 73.324,830 1.66,831 4.266,833 1.037,834 1.854,836 371.191,837 24.5,840 24.333,842 -0.555,843 39.131,844 44.734,845 0.299,846 0.547,847 0.778,848 0.853,849 0.882,850 0.882,851 4.491,852 0.389,853 5.46,854 2.162,855 4.043,856 4.425,857 2.197,858 6.361,859 3.942,860 5.68,861 0.36,862 7.083,863 0.835,864 3.761,865 4.35,866 1.404,867 7.469,868 3.603,869 7,870 0.108,871 8.815,872 0.678,873 5.707,874 6.547,875 2.804,876 10.653,877 5.487,878 8.364,879 -0.617,880 10.609,881 0.184,882 6.293,883 7.362,884 2.647,885 12.573,886 6.019,887 9.769,888 -0.883,889 12.441,890 -1.13,891 7.725,892 9.048,893 3.665,894 15.297,895 7.389,896 11.201,897 -1.21,898 14.297,899 -1.696,900 8.675,901 10.231,902 3.851,903 17.541,904 8.289,905 12.653,906 -1.339,907 16.171,908 -2.684,909 9.94,910 11.752,911 4.661,912 20.116,913 9.496,914 3.359,915 -1.462,916 18.058,917 -3.305,918 11.04,919 13.087,920 5.029,921 22.5,922 10.546,923 2.654,924 12.111,925 19.954,926 -4.269,927 12.255,928 14.554,929 5.726,930 25.021,931 11.706,932 2.395,933 8.953,934 21.859,935 4.247,936 13.416,937 15.952,938 6.188,939 27.466,940 12.816,941 1.84,942 7.885,943 23.771,944 3.204,945 14.62,946 17.402,947 6.825,948 29.969,949 13.966,950 1.39,951 5.419,952 25.688,953 2.781,954 15.807,955 18.827,956 7.336,957 32.441,958 15.101,959 1.292,960 3.111,961 27.611,962 2.259,963 17.011,964 20.272,965 7.94,966 34.938,967 16.251,968 0.959,969 2.532,970 29.537,971 1.575,972 18.21,973 21.709,974 8.477,975 37.421,976 17.398,977 2732,978 4441,979 12.542,980 24.023,981 30.157,982 31.711,983 32.687,984 29.615,985 29.493,986 35.409,987 6.869,988 87.74,989 28.132,990 5.587,991 5.879,992 6.932,993 5.382,994 5.359,995 6.946,996 3.071,997 20.111,998 5.072,999 11.434,1000 1.508,1001 1.586,1002 1.634,1003 1.481,1004 1.475,1005 1.77,1006 0.343,1007 4.387,1008 1.407,1009 4.042,1010 4.095,1011 4.014,1012 3.834,1013 7.444,1014 3.872,1015 3.678,1016 3.748,1017 3.554,1018 3.505,1019 7.411,1020 3.498,1021 3.561,1022 3.638,1023 3.377,1024 3.401,1025 4.881,1026 3.385,1027 3.461,1028 3.536,1029 3.337,1030 3.198,1031 4.161,1032 3.229,1033 3.119,1034 3.214,1035 2.989,1036 2.877,1037 4.124,1038 2.87,1039 3.018,1040 3.096,1041 2.817,1042 2.763,1043 3.996,1044 2.776,1045 2.871,1046 2.923,1047 2.661,1048 2.591,1049 3.718,1050 2.605,1051 2.718,1052 2.776,1053 2.471,1054 2.413,1055 3.534,1056 2.421,1057 0.232,1058 0.199,1059 0.354,1060 0.215,1061 0.168,1062 4.636,1063 0.212,1064 3.983,1065 0.088,1066 7.07,1067 0.606,1068 4.308,1069 0.159,1070 3.359,1071 4.247,1072 1.761,1073 12.111,1074 3.183,1075 1.788,1076 1.738,1077 1.987,1078 2.009,1079 1.28,1080 1.987,1081 1.691,1082 1.623,1083 1.931,1084 1.902,1085 1.181,1086 1.915,1087 1.535,1088 1.469,1089 1.753,1090 1.754,1091 0.889,1092 1.772,1093 1.364,1094 1.28,1095 1.63,1096 1.63,1097 0.751,1098 1.635,1099 1.185,1100 1.097,1101 1.466,1102 1.448,1103 0.575,1104 1.462,1105 0.97,1106 0.887,1107 1.303,1108 1.239,1109 0.438,1110 1.275,1111 0.924,1112 0.842,1113 1.246,1114 1.214,1115 0.293,1116 1.219,1117 0.653,1118 0.599,1119 0.973,1120 1.005,1121 0.096,1122 0.967,1123 3.714,1125 5.03,1126 2.398,1127 6.569,1128 4.727,1129 8.228,1130 6.862,1131 9.956,1132 5.62,1136 4.2,1140 2.751,1144 22.73,1145 61.586,1146 112.665,1147 160.356,1148 175.866,1149 181.866,1150 181.866,1151 40.646,1152 6.337,1153 61.82,1154 61.82,1155 11,1156 12.377,1157 3,1158 2.459,1159 33.337,1160 49,1161 62,1162 0.361,1163 144.144,1164 248.86,1165 343.472,1166 3481,1168 13.991,1169 0.736,1170 0.617,1171 13.991,1172 11.718,1173 9.113,1174 0.456,1175 0.338,1176 6.634,1177 8.64,1178 6.413,1179 5.439,1180 9.113,1181 6.76,1182 7.751,1183 0.277,1184 0.17,1185 7.751,1186 4.762,1187 6.951,1188 0.174,1189 0.082,1190 6.951,1191 3.299,1192 5.682,1193 0.105,1194 0.041,1195 5.682,1196 2.228,1197 4.442,1198 0.067,1199 0.023,1200 4.442,1201 1.52,1202 0.53,1203 58.019,1204 0.282,1205 18.44,1206 1.103,1207 96,1208 306.052,1209 110.003,1210 288.344,1211 390.94,1212 268,1213 116,1214 290.597,1215 132.28,1216 290.056,1217 433.46,1218 271,1219 4.815} {0 CHEMBL139000,1 1.665,2 11.464,3 0.817,4 0.668,5 102.506,6 7.558,7 0.516,8 4.063,9 4.176,10 3.625,11 3.501,12 5.202,13 3.517,14 4.611,15 4.769,16 4.011,17 3.909,18 5.697,19 3.907,20 4.903,21 5.1,22 4.106,23 4.025,24 6.104,25 3.993,26 4.955,27 5.187,28 4.032,29 4.022,30 6.058,31 3.97,32 4.888,33 5.114,34 3.962,35 3.993,36 6.046,37 3.936,38 4.854,39 5.096,40 3.888,41 3.939,42 5.946,43 3.869,44 4.732,45 4.981,46 3.75,47 3.792,48 5.844,49 3.726,50 4.507,51 4.734,52 3.62,53 3.639,54 5.604,55 3.587,56 0.151,57 0.776,58 10.836,59 4.256,60 24.022,61 5.614,62 0.456,63 1.226,64 20.643,65 7.165,66 47.633,67 9.589,68 0.993,69 1.437,70 30.49,71 9.087,72 102.474,73 13.012,74 0.919,75 1.456,76 33.472,77 9.459,78 95.192,79 13.992,80 0.796,81 1.417,82 30.444,83 8.435,84 92.683,85 12.834,86 0.692,87 1.358,88 29.691,89 8.172,90 67.488,91 12.779,92 0.666,93 1.194,94 26.542,95 6.755,96 66.152,97 10.862,98 0.445,99 0.98,100 20.483,101 5.863,102 48.043,103 8.925,104 18,105 44,106 0.28,107 0.645,108 0.825,109 0.882,110 0.898,111 0.898,112 3.375,113 0.889,114 -2.96,115 -2.97,116 -2.86,117 37.3,118 1,119 1,123 1,124 4,125 1,130 5,131 1,133 1,134 1,135 1,142 1,143 1,150 7,152 4,155 1,157 2,158 9,161 2,164 5,165 1,166 1,167 6,170 3,171 2,174 3,175 1,176 2,179 3,183 3,186 3,187 1,188 2,191 2,192 1,193 7,196 3,198 1,201 1,203 6,206 3,207 1,212 9,215 1,216 1,222 6,225 1,226 1,227 2,231 1212,232 19.077,233 19.077,234 19.077,235 19.077,236 19.077,237 17.201,238 20.477,239 11.141,240 19.601,241 15.222,242 15.222,243 15.222,244 15.222,245 15.222,246 12.455,247 29.528,248 5.19,249 16.183,250 4.007,251 1.829,252 0.757,253 0.422,254 0.329,255 0.329,256 4.069,261 1,262 695,263 3.24,265 128.506,266 167.653,269 112.21,270 1.893,271 37.325,274 0.83,275 1,276 1,277 0.5,278 1,279 1,280 0.9,281 62.5,282 321,283 4.65,284 3.586,285 6.931,286 4.226,287 3.302,288 4.587,289 1.041,290 11.649,291 3.049,292 4.153,293 3.168,294 6.552,295 3.96,296 3.022,297 3.457,298 0.4,299 10.23,300 2.825,301 3.929,302 2.854,303 5.957,304 3.62,305 2.641,306 3.348,308 8.256,309 2.596,310 3.716,311 2.637,312 5.499,313 3.374,314 2.434,315 2.951,317 7.366,318 2.273,319 3.233,320 2.299,321 5.302,322 3.046,323 2.088,324 2.342,326 6.239,327 1.996,328 3.049,329 2.193,330 4.898,331 2.787,332 1.851,333 2.306,335 5.277,336 1.722,337 3.008,338 1.876,339 4.684,340 2.491,341 1.585,342 2.107,343 4.628,344 1.437,345 2.8,346 1.549,347 4.184,348 2.446,349 1.542,350 1.873,351 3.687,352 1.396,353 2.704,354 1.488,355 4.07,356 2.368,357 1.386,358 1.739,359 3.05,360 1.345,361 2.5,362 1.281,363 3.573,364 2,365 1.04,366 1.5,367 2.904,368 1,369 2.41,370 1.203,371 3.34,372 1.944,373 1,374 1.383,376 2.136,377 0.936,378 2.101,379 1,380 3.247,381 1.679,382 0.779,383 1,385 1.916,386 0.699,387 1.55,388 0.884,389 2.994,390 1.385,391 0.542,392 0.546,394 0.907,395 0.453,396 1.256,397 0.55,398 2.855,399 0.957,400 0.02,401 0.023,403 0.05,404 0.018,405 0.997,406 0.175,407 2.601,408 0.713,409 -0.167,410 -0.179,412 -0.336,413 -0.142,414 12.833,415 0.458,416 0.678,417 0.024,418 34,419 1.214,420 14.5,421 0.518,422 19.5,423 0.696,424 24.6,425 0.879,426 31.567,427 0.619,428 26.128,429 0.933,430 6.706,431 0.239,432 6.874,433 0.246,434 0.117,436 0.382,437 1.022,438 1.498,439 0.815,440 1.161,441 1.044,442 0.975,443 1.027,444 1.125,445 0.935,446 1.072,447 0.971,448 0.999,449 0.896,450 1.11,451 0.959,452 1.051,453 0.855,454 1.028,455 0.964,456 0.944,457 0.943,458 0.912,459 0.921,460 0.924,461 0.947,462 1.069,463 1.057,464 0.997,465 0.966,466 1.03,467 0.825,468 1.055,469 0.996,470 0.996,471 0.777,472 1.012,473 0.867,474 0.983,475 1.03,476 0.92,477 0.762,478 0.972,479 0.894,480 1.095,481 0.981,482 1.016,483 0.769,484 1.002,485 5,486 0.094,487 3.333,488 2.611,489 1.544,490 0.848,491 0.718,492 0.383,493 0.249,494 0.221,495 9881,496 27644,497 2.094,498 45.1,500 11,501 1,502 2,503 4,505 5,507 1.71,508 1.953,509 3.468,510 1.733,512 1,515 84.932,516 1.665,517 3.843,518 4.915,519 5.251,520 5.344,521 5.344,522 2.924,523 4.423,524 4.776,525 3.629,526 1371.92,527 8.306,528 17939.9,530 1,533 289.294,534 1.432,535 4.736,536 0.161,537 0.006,538 0.076,539 0.058,540 0.037,541 0.022,542 0.02,543 0.012,544 0.009,545 0.01,546 0.41,547 0.17,548 1,549 0.744,550 140.482,551 -0.155,552 -0.232,553 0.02,554 -0.021,555 -0.184,556 0.027,557 -0.053,558 0.052,559 -0.034,560 -0.023,561 -0.138,562 -0.032,563 0.206,564 -0.085,565 0.015,566 -0.063,567 0.137,568 -0.07,569 0.059,570 0.032,571 0.053,572 0.044,573 0.031,574 0.04,575 -0.007,576 -0.034,577 -0.089,578 -0.041,579 0.012,580 -0.073,581 0.018,582 -0.033,583 -0.029,584 -0.048,585 0.007,586 -0.045,587 0.001,588 0.048,589 -0.051,590 -0.007,591 0.042,592 -0.027,593 -0.032,594 -0.05,595 -0.026,596 -0.047,597 0.016,598 -0.031,599 2.53,600 4.275,601 0.714,602 27.878,603 1.015,604 1.139,605 1.733,606 3.002,607 0.641,608 3.466,609 3.807,610 4.127,611 4.419,612 4.595,613 4.691,614 4.836,615 4.99,616 5.037,617 5.112,618 6.636,619 0.622,620 385.47,621 3.466,622 5.017,623 5.889,624 6.783,625 7.674,626 8.577,627 9.476,628 10.384,629 11.289,630 12.201,631 9.8,633 1,635 3,636 2,637 7,638 3,640 2,641 1,642 16,645 1,648 51,649 16,650 1,651 31,652 54,653 19,654 11,655 1,656 5,659 4,660 5,663 2,666 3,668 5,670 11,671 8,679 1,680 1,681 23,682 8,683 4,684 9,686 1,687 5,689 0.75,690 4,691 1,692 2,693 1,696 1,698 2,699 2,709 3,710 1,711 3,713 1,715 28,718 3,719 2,720 1,721 1,722 5,729 7.8,730 3,733 1,735 14.333,736 8.817,737 6.194,738 2.885,739 3.074,740 1.399,741 0.892,742 5.461,743 10.783,744 3.689,745 4.273,746 4.872,747 5.469,748 5.941,749 6.218,750 6.618,751 7.013,752 7.107,753 7.397,754 0.875,755 45,756 10.444,758 4.645,759 7.905,760 19.549,762 16.435,764 2.405,765 67.333,769 223.651,770 85.351,771 70.266,773 139.05,775 85.351,776 362.701,777 70.266,778 8.825,779 2.535,780 175.431,781 113.243,782 15.847,783 14.099,784 188.338,786 223.651,787 155.618,788 139.05,790 164.795,791 58.856,792 139.05,793 34.355,794 52.895,795 68.367,797 223.651,798 209.316,799 85.351,801 223.651,802 11.907,803 75.343,804 18.011,805 189.407,806 223.651,807 209.316,808 85.351,809 0.582,810 0.355,811 0.198,812 0.102,813 22,814 10,815 0.111,816 6,817 1,818 1.1,819 3.948,820 247.947,821 0.1,822 20,823 130.606,825 19.086,826 8.011,827 3.719,828 1.013,829 207.417,830 13.057,831 12.939,833 1.795,834 1.549,835 146.061,836 518.318,837 39,843 51.771,844 58.066,845 0.294,846 0.677,847 0.866,848 0.926,849 0.942,850 0.942,851 4.942,852 1.542,853 5.883,854 4.628,855 4.489,856 4.959,857 1.249,858 6.735,859 4.364,860 6.131,861 1.386,862 7.468,863 3.687,864 4.111,865 4.718,867 7.714,868 3.924,869 7.434,870 1.04,871 9.156,872 3.05,873 6.116,874 7.137,875 1.224,876 10.862,877 5.868,878 8.774,879 1,880 10.904,881 2.904,882 6.594,883 7.804,885 12.697,886 6.265,887 10.153,888 0.779,889 12.693,890 2.136,891 8.062,892 9.691,893 1.268,894 15.368,895 7.678,896 11.558,897 0.542,898 14.51,899 1.916,900 8.925,901 10.803,903 17.547,904 8.45,905 12.985,906 0.02,907 16.347,908 0.907,909 10.194,910 12.472,911 1.324,912 20.062,913 9.658,914 3.302,915 -0.167,916 18.199,917 0.05,918 11.228,919 13.802,921 22.386,922 10.6,923 3.022,924 11.649,925 20.064,926 -0.336,927 12.426,928 15.379,929 1.383,930 24.848,931 11.729,932 2.641,933 10.23,934 21.939,935 4.587,936 13.536,937 16.813,939 27.234,940 12.749,941 2.434,942 8.256,943 23.822,944 3.457,945 14.711,946 18.355,947 1.444,948 29.679,949 13.849,950 2.088,951 7.366,952 25.711,953 3.348,954 15.855,955 19.837,957 32.094,958 14.906,959 1.851,960 6.239,961 27.605,962 2.951,963 17.026,964 21.365,965 1.506,966 34.536,967 15.998,968 1.585,969 5.277,970 29.505,971 2.342,972 18.187,973 22.869,975 36.965,976 17.073,977 9433,978 15928,979 20.69,980 32.699,981 46.897,982 47.555,983 48.689,984 46.463,985 46.461,986 58.323,987 2.882,988 136.588,989 43.494,990 5.556,991 5.586,992 6.733,993 5.333,994 5.302,995 7.587,996 2.082,997 19.374,998 5.049,999 13.678,1000 1.513,1001 1.534,1002 1.571,1003 1.499,1004 1.499,1005 1.881,1006 0.093,1007 4.406,1008 1.403,1009 4.112,1010 4.163,1011 4.089,1012 3.925,1013 6.498,1014 3.957,1015 3.92,1016 3.955,1017 3.842,1018 3.848,1019 6.453,1020 3.847,1021 3.801,1022 3.826,1023 3.725,1024 3.607,1025 6.399,1026 3.63,1027 3.568,1028 3.639,1029 3.439,1030 3.407,1031 5.155,1032 3.402,1033 3.318,1034 3.387,1035 3.216,1036 3.079,1037 4.753,1038 3.104,1039 3.184,1040 3.239,1041 3.044,1042 2.902,1043 4.596,1044 2.926,1045 2.971,1046 3.056,1047 2.834,1048 2.821,1049 4.411,1050 2.803,1051 2.891,1052 2.978,1053 2.735,1054 2.735,1055 4.264,1056 2.715,1057 0.15,1058 0.116,1059 0.224,1060 0.136,1061 0.107,1062 4.65,1063 0.148,1064 3.586,1065 0.034,1066 6.931,1067 0.376,1068 4.226,1069 0.098,1070 3.302,1071 4.587,1072 1.041,1073 11.649,1074 3.049,1075 1.93,1076 1.898,1077 2.066,1078 2.046,1079 1.266,1080 2.046,1081 1.804,1082 1.759,1083 1.879,1084 1.98,1085 1.162,1086 1.96,1087 1.613,1088 1.572,1089 1.803,1090 1.832,1091 0.998,1092 1.819,1093 1.551,1094 1.499,1095 1.756,1096 1.797,1097 0.952,1098 1.78,1099 1.47,1100 1.416,1101 1.632,1102 1.689,1103 0.749,1104 1.691,1105 1.135,1106 1.077,1107 1.364,1108 1.449,1109 0.503,1110 1.42,1111 1.004,1112 0.923,1113 1.351,1114 1.222,1115 0.419,1116 1.276,1117 0.886,1118 0.821,1119 1.181,1120 1.184,1121 0.218,1122 1.152,1123 4.143,1125 5.476,1126 3.045,1127 7.004,1128 5.476,1129 8.619,1130 7.627,1131 10.281,1132 2.059,1135 29.564,1136 0.433,1137 3.358,1138 5.58,1139 -4.014,1144 31.707,1145 84.932,1146 195.993,1147 250.665,1148 267.784,1149 272.539,1150 272.539,1151 55.426,1152 7.709,1153 125.55,1154 125.55,1155 22,1156 12.717,1157 4.087,1158 3.17,1159 42.481,1160 111,1161 116,1162 0.189,1163 192.916,1164 326.8,1165 462.475,1166 24167,1168 19.673,1169 0.703,1170 0.549,1171 19.673,1172 15.381,1173 13.58,1174 0.438,1175 0.296,1176 9.006,1177 12.916,1178 8.865,1179 7.278,1180 13.58,1181 9.186,1182 12.127,1183 0.276,1184 0.159,1185 12.127,1186 7.01,1187 10.714,1188 0.176,1189 0.081,1190 10.714,1191 4.918,1192 9.104,1193 0.111,1194 0.043,1195 9.104,1196 3.506,1197 6.969,1198 0.071,1199 0.022,1200 6.969,1201 2.18,1202 0.296,1203 86.465,1204 0.22,1205 26.718,1206 0.519,1207 150,1208 461.098,1209 170.15,1210 433.937,1211 589.28,1212 408,1213 180,1214 425.402,1215 203.062,1216 425.317,1217 634.51,1218 401,1219 8.481} {0 CHEMBL157655,1 1.649,2 6.176,3 1.162,4 1.35,5 61.671,6 7.161,7 0.278,8 3.597,9 3.738,10 3.122,11 3.001,12 4.686,13 3.004,14 4.165,15 4.382,16 3.484,17 3.379,18 5.221,19 3.351,20 4.37,21 4.611,22 3.605,23 3.465,24 5.478,25 3.449,26 4.405,27 4.613,28 3.638,29 3.468,30 5.794,31 3.477,32 4.351,33 4.545,34 3.362,35 3.436,36 5.629,37 3.385,38 4.328,39 4.575,40 2.884,41 3.297,42 5.397,43 3.163,44 4.081,45 4.388,46 2.301,47 3.018,48 4.883,49 2.773,50 3.774,51 4.139,52 1.4,53 2.508,54 4.425,55 2.165,56 0.046,57 0.502,58 7.269,59 2.369,60 5.592,61 3.797,62 0.349,63 0.747,64 14.448,65 4.059,66 17.981,67 6.553,68 0.312,69 0.808,70 18.36,71 4.738,72 30.855,73 7.836,74 0.629,75 0.798,76 19.531,77 4.338,78 79.291,79 7.004,80 0.428,81 0.751,82 18.009,83 4.602,84 60.515,85 7.075,86 0.485,87 0.652,88 18.507,89 4.398,90 66.61,91 7.046,92 0.235,93 0.475,94 14.356,95 4.117,96 30.914,97 6.758,98 0.218,99 0.27,100 11.304,101 2.964,102 29.934,103 5.007,104 25,105 25,106 0.313,107 0.594,108 0.742,109 0.753,110 0.788,111 0.823,112 2.911,113 0.978,114 -2.47,115 -2.5,116 -2.45,117 33.3,118 2,119 2,123 2,133 1,139 1,140 1,141 1,142 1,150 2,152 4,153 2,155 2,161 3,162 2,170 2,171 5,174 3,176 1,182 1,183 7,188 1,193 3,198 1,201 1,203 1,208 1,210 2,219 1,231 249,232 11.552,233 11.552,234 11.552,235 11.552,236 11.552,237 10.782,238 14.589,239 6.925,240 11.845,241 8.771,242 8.771,243 8.771,244 8.771,245 8.771,246 7.452,247 18.073,248 3.038,249 9.225,250 3.396,251 1.918,252 1.137,253 1.076,254 0.894,255 0.712,256 3.555,261 1,262 213,263 2.646,265 33.949,266 40.26,269 62.266,270 0.913,271 23.085,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 38,282 105,283 4.563,284 3.985,285 6.981,286 4.265,287 3.314,288 4.094,289 1.761,290 11.783,291 3.146,292 3.805,293 3.39,294 6.029,295 3.434,296 2.493,297 3.1,298 1.083,299 8.388,300 2.354,301 3.622,302 2.867,303 5.945,304 3.369,305 2.405,306 2.777,307 0.526,308 8.016,309 2.291,310 2.739,311 1.945,312 4.178,313 2.401,314 1.426,315 1.774,316 0.064,317 3.311,318 1.382,319 2.475,320 1.923,321 3.981,322 2.279,323 1.277,324 1.424,326 2.708,327 1.273,328 2.339,329 1.185,330 3.452,331 2.027,332 1.088,333 1.309,335 2.276,336 1.017,337 2.221,338 1.041,339 3.339,340 1.733,341 0.784,342 1.057,343 1.77,344 0.737,345 1.624,346 0.939,347 2.891,348 1.354,349 0.358,350 0.434,351 0.687,352 0.353,353 1.508,354 0.623,355 2.589,356 1.147,357 0.129,358 0.158,359 0.228,360 0.129,361 0.456,362 -0.303,363 2,364 0.254,365 -0.726,366 -0.793,367 -1.28,368 -0.703,369 0.379,370 -0.357,371 1.81,372 0.203,373 -0.811,374 -0.894,376 -1.41,377 -0.81,378 0.107,379 -0.829,380 1.656,381 -0.153,382 -1.147,383 -1.483,385 -2.72,386 -1.136,387 -0.053,388 -0.897,389 1.5,390 -0.463,391 -1.463,392 -1.857,394 -4.155,395 -1.432,396 -0.205,397 -1.485,398 1.35,399 -0.662,400 -1.603,401 -1.896,403 -4.322,404 -1.546,405 -0.503,406 -1.549,407 1.288,408 -0.747,409 -1.704,410 -2,411 -0.4,412 -4.973,413 -1.64,414 7.767,415 0.457,416 0.384,417 0.023,418 19.5,419 1.147,420 7.5,421 0.441,422 12,423 0.706,424 13.471,425 0.792,426 19.833,427 0.601,428 12.929,429 0.761,430 3.616,431 0.213,432 4.586,433 0.27,434 0.215,436 0.361,437 0.729,438 1.93,439 0.801,440 1.437,441 0.516,442 1.162,443 0.517,444 1.057,445 0.758,446 0.963,447 0.506,448 0.909,449 0.798,450 1.146,451 0.647,452 0.981,453 0.773,454 0.798,455 1.375,456 0.888,457 0.989,458 0.792,459 1.459,460 0.802,461 1.65,462 1.187,463 1.411,464 1.237,465 1.716,466 1.278,467 1.678,468 0.874,469 1.546,470 1.012,471 1.701,472 1.23,473 0.658,474 0.959,475 1.15,476 1.215,477 0.566,478 1.276,479 0.62,480 0.613,481 0.882,482 0.826,483 0.666,484 0.912,485 2.5,487 2.444,488 1.681,489 1.592,490 0.532,491 0.273,492 0.072,495 1829,496 5037,497 1.96,498 48.5,499 6,500 4,502 1,503 1,505 4,507 1.581,508 1.789,509 2.625,510 -0.141,512 1,514 1,515 54.411,516 1.649,517 3.126,518 3.908,519 3.968,520 4.15,521 4.332,522 2.133,523 3.735,524 4.054,525 2.702,526 367.426,527 6.915,528 3270.74,530 1,533 166.465,534 1.549,535 3.989,536 0.139,538 0.098,539 0.06,540 0.057,541 0.027,542 0.025,543 0.014,546 0.419,547 0.5,548 1,549 1.458,550 67.941,551 -0.057,552 -0.552,553 0.056,554 -0.235,555 -0.017,556 -0.09,557 0.288,558 0.115,559 0.173,560 0.058,561 0.076,562 0.078,563 0.126,564 -0.123,565 0.32,566 0.003,567 0.08,568 0.181,569 0.048,570 0.15,571 0.042,572 0.131,573 0.088,574 0.099,575 -0.335,576 -0.12,577 -0.426,578 -0.239,579 -0.198,580 -0.337,581 -0.458,582 0.06,583 -0.55,584 -0.088,585 -0.343,586 -0.31,587 -0.042,588 -0.108,589 -0.224,590 -0.242,591 -0.021,592 -0.266,593 0.05,594 0.012,595 0.095,596 0.064,597 -0.007,598 0.082,599 1.972,600 5.16,601 0.529,602 9.668,603 1.011,604 1.149,605 1.242,606 1.543,607 0.621,608 2.944,609 3.258,610 3.611,611 3.912,612 4.06,613 4.111,614 4.043,615 3.912,616 3.466,617 2.944,618 3.857,619 0.596,620 236.31,621 2.944,622 4.466,623 5.342,624 6.244,625 7.149,626 8.061,627 8.973,628 9.888,629 10.803,630 11.718,631 12.1,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 33,649 7,651 18,652 34,653 11,654 3,657 1,659 2,660 3,662 1,663 2,668 2,670 5,671 6,673 2,676 2,678 2,680 1,681 16,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 17,719 4,723 2,729 6.1,732 2,735 9.5,736 6.517,737 4,738 2.371,739 1.158,740 1.191,741 0.938,742 3.478,743 7.231,744 3.157,745 3.644,746 4.21,747 4.735,748 4.942,749 5.211,750 5.284,751 5.351,752 5.181,753 4.658,754 1,755 28,756 6.329,758 2.67,759 7.98,760 11.866,762 9.412,764 2.48,765 42.167,766 0.001,769 176.567,770 49.615,771 39.82,773 50.29,775 49.615,776 226.856,777 39.82,778 17.65,779 15.529,781 92.17,782 21.87,783 4.276,784 164.795,786 176.567,787 89.434,788 50.29,790 129.482,791 97.374,793 63.668,794 8.98,795 16.786,797 176.567,798 90.11,799 49.615,801 176.567,802 23.346,803 32.518,804 16.786,805 67.075,806 176.567,807 90.11,808 49.615,809 0.561,810 0.363,811 0.223,812 0.122,813 12,814 6,815 0.118,816 4,817 1,818 1.222,819 2.761,820 120.094,821 0.222,822 9,823 69.487,825 12.115,826 4.88,827 1.952,829 73.324,830 1.452,831 3.997,832 2.862,833 0.862,835 16.786,836 316.291,837 22.5,840 24.184,842 -0.559,843 33.363,844 37.903,845 0.327,846 0.62,847 0.775,848 0.787,849 0.823,850 0.859,851 4.398,852 0.358,853 5.342,854 1.77,855 3.932,856 4.324,857 2.197,858 6.24,859 3.835,860 5.575,861 0.129,862 6.959,863 0.687,864 3.611,865 4.159,866 1.404,867 7.338,868 3.476,869 6.886,870 -0.726,871 8.688,872 0.228,873 5.587,874 6.407,875 2.804,876 10.515,877 5.378,878 8.24,879 -0.811,880 10.479,881 -1.28,882 6.155,883 7.151,884 2.647,885 12.413,886 5.906,887 9.635,888 -1.147,889 12.307,890 -1.41,891 7.595,892 8.846,893 3.665,894 15.121,895 7.278,896 11.056,897 -1.463,898 14.16,899 -2.72,900 8.531,901 9.968,902 3.851,903 17.333,904 8.172,905 12.497,906 -1.603,907 16.029,908 -4.155,909 9.794,910 11.474,911 4.661,912 19.89,913 9.375,914 3.314,915 -1.704,916 17.909,917 -4.322,918 10.882,919 12.757,920 5.029,921 22.24,922 10.416,923 2.493,924 11.783,925 19.799,926 -4.973,927 12.09,928 14.197,929 5.726,930 24.742,931 11.569,932 2.405,933 8.388,934 21.695,935 4.094,936 13.24,937 15.55,938 6.188,939 27.155,940 12.67,941 1.426,942 8.016,943 23.597,944 3.1,945 14.435,946 16.967,947 6.825,948 29.636,949 13.811,950 1.277,951 3.311,952 25.505,953 2.777,954 15.611,955 18.351,956 7.336,957 32.078,958 14.937,959 1.088,960 2.708,961 27.416,962 1.774,963 16.804,964 19.762,965 7.94,966 34.55,967 16.078,968 0.784,969 2.276,970 29.332,971 1.424,972 17.992,973 21.159,974 8.477,975 37.005,976 17.214,977 1976,978 3395,979 11.444,980 20.5,981 27.292,982 28.598,983 29.148,984 26.616,985 26.547,986 32.256,987 6.869,988 78.332,989 25.366,990 5.511,991 5.875,992 6.741,993 5.339,994 5.314,995 6.772,996 3.071,997 19.783,998 5.036,999 9.341,1000 1.516,1001 1.589,1002 1.619,1003 1.479,1004 1.475,1005 1.792,1006 0.382,1007 4.352,1008 1.409,1009 4.014,1010 4.068,1011 3.985,1012 3.795,1013 7.444,1014 3.836,1015 3.631,1016 3.708,1017 3.514,1018 3.445,1019 7.411,1020 3.44,1021 3.58,1022 3.659,1023 3.405,1024 3.413,1025 4.943,1026 3.4,1027 3.313,1028 3.376,1029 3.174,1030 3.035,1031 4.173,1032 3.072,1033 3.064,1034 3.119,1035 2.986,1036 2.77,1037 4.113,1038 2.809,1039 2.799,1040 2.874,1041 2.569,1042 2.532,1043 3.726,1044 2.529,1045 2.695,1046 2.775,1047 2.413,1048 2.401,1049 3.604,1050 2.395,1051 2.305,1052 2.403,1053 2.136,1054 2.068,1055 3.378,1056 2.072,1057 0.253,1058 0.221,1059 0.388,1060 0.237,1061 0.184,1062 4.563,1063 0.227,1064 3.985,1065 0.098,1066 6.981,1067 0.655,1068 4.265,1069 0.175,1070 3.314,1071 4.094,1072 1.761,1073 11.783,1074 3.146,1075 1.774,1076 1.725,1077 1.954,1078 2.006,1079 1.203,1080 1.98,1081 1.612,1082 1.536,1083 1.905,1084 1.817,1085 1.155,1086 1.849,1087 1.467,1088 1.407,1089 1.649,1090 1.686,1091 0.758,1092 1.696,1093 1.328,1094 1.244,1095 1.495,1096 1.632,1097 0.521,1098 1.601,1099 0.995,1100 0.939,1101 1.34,1102 1.27,1103 0.43,1104 1.284,1105 0.94,1106 0.839,1107 1.266,1108 1.249,1109 0.336,1110 1.252,1111 0.644,1112 0.573,1113 0.875,1114 0.99,1116 0.973,1117 0.467,1118 0.428,1119 0.798,1120 0.842,1122 0.794,1123 3.611,1125 4.92,1126 2.398,1127 6.457,1128 4.595,1129 8.118,1130 6.629,1131 9.847,1132 3.925,1136 2.598,1140 2.845,1144 19.676,1145 54.411,1146 103.162,1147 128.955,1148 130.955,1149 136.955,1150 142.955,1151 34.123,1152 6.073,1153 72.68,1154 72.68,1155 11,1156 12.23,1157 3,1158 2.459,1159 28.04,1160 41,1161 40,1162 0.388,1163 124.959,1164 214.26,1165 296.661,1166 2454,1168 12.414,1169 0.73,1170 0.592,1171 12.414,1172 10.064,1173 8.202,1174 0.456,1175 0.326,1176 5.757,1177 7.763,1178 5.612,1179 4.737,1180 8.202,1181 5.87,1182 6.882,1183 0.275,1184 0.16,1185 6.882,1186 3.991,1187 6.12,1188 0.17,1189 0.075,1190 6.12,1191 2.693,1192 5.375,1193 0.11,1194 0.04,1195 5.375,1196 1.958,1197 4.008,1198 0.07,1199 0.022,1200 4.008,1201 1.243,1202 0.558,1203 52.349,1204 0.296,1205 16.466,1206 1.227,1207 86,1208 290.739,1209 99.643,1210 273.341,1211 369.54,1212 254,1213 104,1214 273.752,1215 119.281,1216 271.146,1217 406.3,1218 255,1219 5.546} {0 CHEMBL158507,1 1.568,2 8.391,3 3.087,4 9.528,5 86.285,6 7.265,7 0.44,8 3.855,9 3.986,10 3.402,11 3.354,12 4.942,13 3.34,14 4.406,15 4.601,16 3.774,17 3.736,18 5.464,19 3.696,20 4.642,21 4.871,22 3.9,23 3.83,24 5.729,25 3.798,26 4.683,27 4.893,28 3.928,29 3.818,30 5.985,31 3.81,32 4.635,33 4.827,34 3.799,35 3.821,36 5.855,37 3.785,38 4.645,39 4.86,40 3.622,41 3.792,42 5.768,43 3.72,44 4.568,45 4.803,46 3.453,47 3.722,48 5.616,49 3.605,50 4.507,51 4.77,52 3.138,53 3.585,54 5.487,55 3.417,56 0.02,57 0.661,58 9.024,59 3.608,60 5.394,61 5.072,62 0.314,63 1.046,64 17.476,65 6.07,66 17.637,67 8.859,68 0.268,69 1.212,70 23.347,71 7.264,72 31.65,73 10.877,74 0.631,75 1.218,76 25.053,77 6.45,78 82.822,79 9.583,80 0.394,81 1.178,82 23.111,83 6.647,84 58.903,85 9.461,86 0.445,87 1.145,88 24.04,89 6.83,90 63.398,91 9.731,92 0.262,93 1.039,94 21.974,95 7.372,96 42.439,97 10.596,98 0.29,99 0.892,100 21.562,101 7.48,102 50.661,103 10.647,104 25,105 35,106 0.274,107 0.597,108 0.722,109 0.761,110 0.797,111 0.821,112 3.19,113 0.955,114 -4.06,115 -4.01,116 -3.79,117 39.5,118 2,119 2,123 2,130 5,131 1,133 1,139 1,140 1,141 1,143 1,150 8,152 4,153 3,155 2,157 1,158 6,161 3,162 4,166 2,167 3,170 2,171 8,174 3,176 3,182 1,183 12,188 2,193 10,198 1,201 2,203 8,208 1,210 6,212 4,219 8,222 1,229 7,231 621,232 15.776,233 15.776,234 15.776,235 15.776,236 15.776,237 14.345,238 14.589,239 9.483,240 16.046,241 12.259,242 12.259,243 12.259,244 12.259,245 12.259,246 9.935,247 18.073,248 4.311,249 12.707,250 3.859,251 2.012,252 1.299,253 1.076,254 0.872,255 0.733,256 3.867,260 1,261 1,262 405,263 2.828,265 45.92,266 127.741,269 87.622,270 1.278,271 26.665,272 1,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 50,282 193,283 4.617,284 3.987,285 7.001,286 4.295,287 3.345,288 4.237,289 1.761,290 11.881,291 3.174,292 4.147,293 3.393,294 6.229,295 3.795,296 2.83,297 3.609,298 1.083,299 9.288,300 2.732,301 3.728,302 3.009,303 5.975,304 3.37,305 2.422,306 3.078,307 0.526,308 8.197,309 2.317,310 3.62,311 2.63,312 5.872,313 3.341,314 2.362,315 2.781,316 0.064,317 7.849,318 2.269,319 3.163,320 1.96,321 4.459,322 2.716,323 1.736,324 2.404,326 4.373,327 1.697,328 2.622,329 1.928,330 4.166,331 2.322,332 1.334,333 1.64,335 3.132,336 1.313,337 2.5,338 1.605,339 3.906,340 2.279,341 1.276,342 1.5,343 2.693,344 1.273,345 2.475,346 1.168,347 3.489,348 2.014,349 1.044,350 1.428,351 2.413,352 1.009,353 2.372,354 1.021,355 3.451,356 2,357 1,358 1.333,359 2.136,360 1,361 2.241,362 1,363 3.247,364 1.746,365 0.792,366 1.085,367 1.943,368 0.748,369 1.638,370 0.944,371 2.918,372 1.402,373 0.405,374 0.477,376 0.773,377 0.4,378 1.511,379 0.643,380 2.729,381 1.147,382 0.129,383 0.158,385 0.232,386 0.129,387 0.752,388 -0.303,389 2.408,390 0.336,391 -0.648,392 -0.757,394 -1.263,395 -0.634,396 0.5,397 -0.352,398 2,399 0.246,400 -0.74,401 -0.892,403 -1.417,404 -0.725,405 0.456,406 -0.628,407 1.862,408 0.203,409 -0.811,410 -0.935,412 -1.57,413 -0.811,414 10.767,415 0.468,416 0.504,417 0.022,418 29,419 1.261,420 13.5,421 0.587,422 15.5,423 0.674,424 18.822,425 0.818,426 25.233,427 0.587,428 21.058,429 0.916,430 5.494,431 0.239,432 5.674,433 0.247,434 0.155,436 0.353,437 0.708,438 1.569,439 0.79,440 1.208,441 0.53,442 1.036,443 0.494,444 1.09,445 0.774,446 0.986,447 0.513,448 0.933,449 0.829,450 1.159,451 0.701,452 0.962,453 0.773,454 0.826,455 1.441,456 0.953,457 0.984,458 0.775,459 1.446,460 0.787,461 1.675,462 1.146,463 1.24,464 1.039,465 1.648,466 1.058,467 1.8,468 0.941,469 1.381,470 0.941,471 1.731,472 1.063,473 1.12,474 1.035,475 1.194,476 1.157,477 1.037,478 1.18,479 1.087,480 0.874,481 1.151,482 1.072,483 1.211,484 1.128,485 3.5,486 0.033,487 2.889,488 2.035,489 1.873,490 1.063,491 0.645,492 0.286,493 0.118,494 0.067,495 4782,496 12013,497 2.041,498 46.5,499 6,500 9,503 1,505 4,507 1.666,508 1.89,509 3.046,510 -0.284,511 1,512 1,514 1,515 67.404,516 1.568,517 3.414,518 4.127,519 4.35,520 4.554,521 4.693,522 2.525,523 3.969,524 4.49,525 3.161,526 799.664,527 7.778,528 8765.71,530 1,532 1,533 233.329,534 1.478,535 4.443,536 0.14,537 0.008,538 0.083,539 0.052,540 0.048,541 0.031,542 0.023,543 0.012,544 0.007,545 0.007,546 0.412,547 0.33,548 1,549 1.248,550 104.915,551 -0.032,552 -0.32,553 0.057,554 -0.116,555 -0.03,556 -0.033,557 0.321,558 0.056,559 0.146,560 0.015,561 0.075,562 0.036,563 0.139,564 -0.123,565 0.273,567 0.083,568 0.135,569 0.07,570 0.112,571 0.052,572 0.119,573 0.083,574 0.093,575 -0.271,576 -0.066,577 -0.244,578 -0.098,579 -0.155,580 -0.153,581 -0.421,582 0.097,583 -0.375,584 -0.01,585 -0.269,586 -0.154,587 -0.166,588 -0.053,589 -0.233,590 -0.165,591 -0.045,592 -0.198,593 -0.135,594 -0.003,595 -0.169,596 -0.066,597 -0.098,598 -0.116,599 1.988,600 5.608,601 0.652,602 18.435,603 1.003,604 1.133,605 2.827,606 7.994,607 0.652,608 3.258,609 3.584,610 3.932,611 4.248,612 4.5,613 4.644,614 4.771,615 4.868,616 4.852,617 4.771,618 5.029,619 0.622,620 312.41,621 3.258,622 4.796,623 5.673,624 6.575,625 7.482,626 8.397,627 9.314,628 10.236,629 11.159,630 12.084,631 9.3,634 2,635 1,637 5,638 1,639 1,640 4,642 11,648 43,649 13,650 1,651 25,652 45,653 17,654 9,655 1,656 5,657 1,659 3,660 4,662 1,663 2,668 2,670 11,671 6,673 2,676 2,678 2,679 1,680 1,681 20,682 5,683 1,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 23,719 4,723 2,729 4.7,732 2,735 12.167,736 8.35,737 5.278,738 3.007,739 2.107,740 1.299,741 0.975,742 4.485,743 9.146,744 3.512,745 4.056,746 4.66,747 5.243,748 5.697,749 6.051,750 6.426,751 6.765,752 7.045,753 7.211,754 0.833,755 39,756 8.569,758 3.665,759 7.826,760 16.243,762 13.189,764 2.326,765 53.5,768 1,769 223.651,770 93.891,771 39.82,773 50.29,775 93.891,776 273.941,777 39.82,778 17.65,779 15.529,780 47.381,781 74.108,782 25.056,783 4.276,784 223.651,786 223.651,787 133.71,788 50.29,790 176.567,791 97.374,793 57.378,794 59.547,795 16.786,797 223.651,798 90.11,799 93.891,801 223.651,802 28.859,803 71.28,804 16.786,805 67.075,806 223.651,807 90.11,808 93.891,809 0.566,810 0.353,811 0.212,812 0.123,813 17,814 8,815 0.111,816 5,817 1,818 1.133,819 3.365,820 190.365,821 0.133,822 15,823 100.042,825 15.754,826 6.549,827 2.769,829 73.324,830 9.594,831 4.461,832 3.155,833 2.329,835 16.786,836 407.651,837 32.5,840 25.215,842 -0.591,843 43.131,844 48.734,845 0.289,846 0.629,847 0.761,848 0.802,849 0.839,850 0.865,851 4.751,852 1.044,853 5.666,854 2.693,855 4.263,856 4.741,857 2.197,858 6.547,859 4.188,860 5.943,861 1,862 7.268,863 2.413,864 3.892,865 4.511,866 1.404,867 7.585,868 3.765,869 7.253,870 0.792,871 8.977,872 2.136,873 5.905,874 6.875,875 2.804,876 10.76,877 5.733,878 8.603,879 0.405,880 10.75,881 1.943,882 6.415,883 7.523,884 2.647,885 12.62,886 6.185,887 9.992,888 0.129,889 12.562,890 0.773,891 7.885,892 9.336,893 3.665,894 15.32,895 7.61,896 11.407,897 -0.648,898 14.398,899 0.232,900 8.777,901 10.379,902 3.851,903 17.509,904 8.443,905 12.842,906 -0.74,907 16.253,908 -1.263,909 10.053,910 11.975,911 4.661,912 20.056,913 9.672,914 3.345,915 -0.811,916 18.12,917 -1.417,918 11.114,919 13.21,920 5.029,921 22.395,922 10.675,923 2.83,924 11.881,925 19.997,926 -1.57,927 12.325,928 14.713,929 5.726,930 24.89,931 11.836,932 2.422,933 9.288,934 21.882,935 4.237,936 13.46,937 16.046,938 6.188,939 27.299,940 12.914,941 2.362,942 8.197,943 23.774,944 3.609,945 14.654,946 17.509,947 6.825,948 29.777,949 14.055,950 1.736,951 7.849,952 25.672,953 3.078,954 15.823,955 18.892,956 7.336,957 32.219,958 15.168,959 1.334,960 4.373,961 27.575,962 2.781,963 17.015,964 20.339,965 7.94,966 34.693,967 16.306,968 1.276,969 3.132,970 29.483,971 2.404,972 18.2,973 21.748,974 8.477,975 37.151,976 17.436,977 4804,978 7758,979 16.414,980 28.023,981 38.068,982 39.663,983 39.827,984 37.43,985 37.353,986 47.463,987 6.869,988 109.818,989 36.12,990 5.567,991 5.987,992 6.803,993 5.37,994 5.345,995 7.237,996 3.071,997 19.881,998 5.174,999 11.693,1000 1.523,1001 1.587,1002 1.593,1003 1.497,1004 1.494,1005 1.899,1006 0.275,1007 4.393,1008 1.445,1009 4.065,1010 4.111,1011 4.038,1012 3.919,1013 7.444,1014 3.936,1015 3.833,1016 3.87,1017 3.769,1018 3.704,1019 7.411,1020 3.721,1021 3.612,1022 3.688,1023 3.488,1024 3.44,1025 4.959,1026 3.432,1027 3.572,1028 3.647,1029 3.404,1030 3.408,1031 4.65,1032 3.397,1033 3.304,1034 3.363,1035 3.173,1036 3.051,1037 4.169,1038 3.082,1039 3.064,1040 3.119,1041 2.988,1042 2.772,1043 4.113,1044 2.812,1045 2.854,1046 2.925,1047 2.708,1048 2.735,1049 3.736,1050 2.715,1051 2.85,1052 2.909,1053 2.687,1054 2.701,1055 3.674,1056 2.694,1057 0.185,1058 0.159,1059 0.28,1060 0.172,1061 0.134,1062 4.617,1063 0.169,1064 3.987,1065 0.07,1066 7.001,1067 0.475,1068 4.295,1069 0.127,1070 3.345,1071 4.237,1072 1.761,1073 11.881,1074 3.174,1075 1.905,1076 1.876,1077 2.02,1078 2.013,1079 1.203,1080 2.006,1081 1.773,1082 1.724,1083 1.954,1084 1.984,1085 1.156,1086 1.974,1087 1.611,1088 1.535,1089 1.904,1090 1.813,1091 1.088,1092 1.847,1093 1.467,1094 1.407,1095 1.644,1096 1.678,1097 0.757,1098 1.69,1099 1.29,1100 1.228,1101 1.423,1102 1.55,1103 0.521,1104 1.518,1105 0.997,1106 0.939,1107 1.329,1108 1.268,1109 0.437,1110 1.28,1111 0.948,1112 0.859,1113 1.264,1114 1.246,1115 0.373,1116 1.252,1117 0.886,1118 0.821,1119 1.181,1120 1.062,1121 0.218,1122 1.107,1123 3.932,1125 5.252,1126 2.398,1127 6.792,1128 4.727,1129 8.442,1130 6.88,1131 10.154,1132 3.947,1136 2.488,1140 2.902,1144 26.73,1145 67.404,1146 146.807,1147 177.455,1148 187.065,1149 195.82,1150 201.82,1151 45.014,1152 7.04,1153 72.68,1154 72.68,1155 17,1156 12.59,1157 3.807,1158 3.087,1159 36.495,1160 71,1161 68,1162 0.273,1163 166.338,1164 286.88,1165 397.625,1166 8851,1168 16.397,1169 0.713,1170 0.581,1171 16.397,1172 13.373,1173 11.168,1174 0.447,1175 0.318,1176 7.847,1177 10.745,1178 7.649,1179 6.429,1180 11.168,1181 7.957,1182 9.581,1183 0.274,1184 0.158,1185 9.581,1186 5.54,1187 8.512,1188 0.17,1189 0.076,1190 8.512,1191 3.806,1192 7.405,1193 0.107,1194 0.04,1195 7.405,1196 2.749,1197 6.035,1198 0.068,1199 0.021,1200 6.035,1201 1.869,1202 0.408,1203 70.056,1204 0.247,1205 21.973,1206 0.815,1207 120,1208 358.739,1209 134.309,1210 344.893,1211 475.78,1212 322,1213 145,1214 359.385,1215 161.28,1216 359.959,1217 539.04,1218 340,1219 6.523} {0 CHEMBL190,1 1.837,2 4.538,3 -0.583,4 0.34,5 43.127,6 8.58,7 0.357,8 3.216,9 3.344,10 2.891,11 2.57,12 4.476,13 2.643,14 3.731,15 3.931,16 3.292,17 2.952,18 4.994,19 3.015,20 3.807,21 3.939,22 3.381,23 3.024,24 5.291,25 3.099,26 3.963,27 4.13,28 3.176,29 2.923,30 5.599,31 2.97,32 3.651,33 3.892,34 2.298,35 2.576,36 4.918,37 2.449,38 3.204,39 3.557,40 0.81,41 1.8,42 4.069,43 1.504,44 1.844,45 2.277,46 0.042,47 0.626,48 1.946,49 0.348,56 0.112,57 0.34,58 3.352,59 1.106,60 6.79,61 1.686,62 0.356,63 0.498,64 8.03,65 1.892,66 15.956,67 2.902,68 0.278,69 0.508,70 6.949,71 2.51,72 25.02,73 3.284,74 0.66,75 0.445,76 10.855,77 2.256,78 86.974,79 2.892,80 0.336,81 0.284,82 8.543,83 2.24,84 35.984,85 3.384,86 0.282,87 0.108,88 8.08,89 1.484,90 38.095,91 2.669,92 0.057,93 0.017,94 2.384,95 0.406,96 7.302,97 0.879,104 17,105 21,106 0.389,107 0.712,108 0.753,109 0.773,110 0.833,111 0.833,112 2.674,113 0.797,114 -1.23,115 -1.32,116 -1.39,117 33.3,122 2,133 1,139 1,140 1,141 1,142 1,152 4,155 2,161 3,170 2,174 3,182 1,231 84,232 8.397,233 8.397,234 8.397,235 8.397,236 8.397,237 7.627,238 11.426,239 4.629,240 8.69,241 6.8,242 6.8,243 6.8,244 6.8,245 6.8,246 5.453,247 14.537,248 2.111,249 7.207,250 2.555,251 1.024,252 0.834,253 0.739,254 0.453,255 0.453,256 3.293,262 122,263 1.732,265 22.521,266 26.992,269 41.667,270 0.497,271 19.753,274 0.67,275 0.83,276 0.8,278 1,279 1,280 0.76,281 30,282 59,283 4.545,284 3.965,285 6.915,286 4.236,287 3.284,288 4.087,289 1.761,290 11.426,291 3.123,292 3.775,293 3.382,294 5.934,295 3.389,296 2.439,297 3.066,298 1.083,299 7.921,300 2.318,301 3.571,302 2.827,303 5.842,304 3.284,305 2.324,306 2.736,307 0.526,308 7.535,309 2.208,310 2.659,311 1.776,312 3.961,313 2.158,314 1.225,315 1.69,316 0.064,317 2.775,318 1.135,319 2.318,320 1.662,321 3.842,322 1.807,323 0.872,324 1.198,326 2.396,327 0.808,328 1.896,329 1.032,330 3.276,331 1.452,332 0.459,333 0.615,335 1.101,336 0.449,337 1.686,338 0.775,339 2.744,340 1.197,341 0.177,342 0.237,343 0.381,344 0.177,345 0.358,346 -0.436,347 2,348 -0.023,349 -1,350 -1.197,351 -2.379,352 -0.947,354 -0.473,355 1.678,356 -0.267,357 -1.261,358 -1.485,359 -3.059,360 -1.252,361 -0.057,362 -0.938,363 1.513,364 -0.47,365 -1.438,366 -1.744,367 -3.881,368 -1.338,369 -0.17,370 -1.172,371 1.334,372 -0.562,373 -1.486,374 -2,375 -0.4,376 -4.45,377 -1.437,378 -0.475,379 -1.55,380 1.249,381 -0.713,382 -1.661,383 -2.034,384 -0.66,385 -5.713,386 -1.589,387 -0.661,388 -1.77,389 1.185,390 -1.017,391 -1.934,392 -2.491,393 -1.065,394 -6.052,395 -1.769,396 -0.944,397 -1.882,398 0.526,399 -1.073,400 -2,401 -2.677,402 -1.31,403 -8,404 -1.887,414 5.767,415 0.444,416 0.46,417 0.035,418 17.5,419 1.346,420 7.5,421 0.577,422 10,423 0.769,424 7.052,425 0.542,426 14.633,427 0.697,428 11.331,429 0.872,430 3.701,431 0.285,432 2.425,433 0.187,434 0.289,436 0.486,437 0.791,438 2.091,439 0.643,440 1.424,441 0.537,442 1.033,443 0.614,444 0.629,445 0.577,446 0.416,447 0.558,448 0.439,449 0.907,450 1.528,451 0.748,452 1.503,453 0.928,454 1.147,455 1.606,456 0.779,457 1.44,458 0.84,459 1.741,460 1.066,461 1.029,462 0.995,463 1.49,464 1.426,465 0.997,466 1.583,467 1.01,468 0.365,469 1.09,470 0.583,471 1.091,472 0.842,485 2.5,487 2.444,488 1.306,489 1.192,490 0.16,495 849,496 3237,497 1.948,498 38.1,500 6,502 1,503 1,507 1.496,508 1.733,509 2.276,510 0.022,515 38.587,516 1.837,517 3.368,518 3.559,519 3.654,520 3.939,521 3.939,522 0.996,523 2.565,524 3.681,525 2.192,526 171.003,527 6.145,528 1296.5,533 92.239,534 1.526,535 3.574,536 0.179,538 0.116,539 0.059,540 0.074,541 0.032,546 0.461,547 0.67,548 1,549 0.808,550 45.065,551 -0.159,552 -0.813,553 0.047,554 -0.367,555 -0.065,556 -0.134,557 0.178,558 0.5,559 0.293,560 0.497,561 0.036,562 0.451,563 -0.006,564 -0.377,565 0.04,566 -0.457,567 0.016,568 -0.237,569 -0.247,570 0.136,571 -0.477,572 0.023,573 -0.16,574 -0.254,575 -0.142,576 -0.154,577 -0.49,578 -0.468,579 -0.102,580 -0.571,581 -0.039,582 0.085,583 0.239,584 0.318,585 -0.114,586 0.352,587 0.644,588 0.22,589 1.565,590 0.937,591 0.43,592 1.459,599 2.042,600 4.43,601 0.692,602 5.041,603 1.039,604 1.154,605 -0.003,607 0.641,608 2.708,609 3.091,610 3.434,611 3.638,612 3.714,613 3.689,614 3.434,615 3.219,616 2.565,617 1.386,618 2.946,619 0.646,620 180.19,621 2.708,622 4.263,623 5.153,624 6.057,625 6.961,626 7.867,627 8.774,628 9.681,629 10.587,630 11.494,631 19,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 21,649 7,651 14,652 22,653 7,654 3,657 1,659 2,660 3,662 1,670 5,671 2,673 2,676 2,678 2,680 1,681 8,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 13,723 2,729 9.5,732 2,735 7.5,736 4.517,737 2.833,738 1.071,739 1.218,740 1.218,741 0.958,742 1.631,743 6.794,744 2.97,745 3.534,746 4.117,747 4.583,748 4.745,749 4.983,750 4.941,751 4.949,752 4.627,753 3.446,754 0.25,755 22,756 4.781,757 -0.003,758 2.068,759 8.282,760 8.6,761 -0.001,762 6.769,763 0.001,764 2.782,765 36.167,766 0.003,769 82.398,770 39.476,771 39.82,773 50.29,775 39.476,776 132.688,777 39.82,778 16.793,779 6.249,781 92.17,782 21.87,783 4.276,784 70.627,786 82.398,787 79.296,788 50.29,790 82.398,791 50.29,793 36.737,794 25.773,795 16.786,797 82.398,798 90.11,799 39.476,801 82.398,802 14.065,803 31.66,804 16.786,805 67.075,806 82.398,807 90.11,808 39.476,809 0.608,810 0.396,811 0.198,812 0.089,813 12,814 6,817 1,818 1.222,819 2.355,820 84.028,821 0.222,822 9,823 48.106,825 8.257,826 2.568,827 0.971,829 73.324,830 1.394,831 3.832,832 2.735,833 0.734,835 16.786,836 211.984,837 18.5,840 22.809,842 -0.735,843 21.829,844 24.242,845 0.418,846 0.767,847 0.81,848 0.832,849 0.897,850 0.897,851 4.238,852 -1,853 5.198,854 0.381,855 3.761,856 4.212,857 2.197,858 6.107,859 3.656,860 5.463,861 -1.261,862 6.843,863 -2.379,864 3.611,865 4.159,866 1.404,867 7.204,868 3.476,869 6.796,870 -1.438,871 8.588,872 -3.059,873 5.46,874 6.352,875 2.804,876 10.359,877 5.249,878 8.168,879 -1.486,880 10.385,881 -3.881,882 6.111,883 7.135,884 2.647,885 12.208,886 5.869,887 9.572,888 -1.661,889 12.214,890 -4.45,891 7.489,892 8.813,893 3.665,894 14.919,895 7.18,896 10.999,897 -1.934,898 14.063,899 -5.713,900 8.456,901 9.946,902 3.851,903 17.078,904 8.109,905 12.443,906 -2,907 15.925,908 -6.052,909 9.692,910 11.447,911 4.661,912 19.633,913 9.285,914 3.284,916 17.799,917 -8,918 10.787,919 12.733,920 5.029,921 21.937,922 10.337,923 2.439,924 11.426,925 19.68,927 11.983,928 14.172,929 5.726,930 24.428,931 11.477,932 2.324,933 7.921,934 21.568,935 4.087,936 13.13,937 15.524,938 6.188,939 26.801,940 12.578,941 1.225,942 7.535,943 23.462,944 3.066,945 14.316,946 16.941,947 6.825,948 29.263,949 13.711,950 0.872,951 2.775,952 25.361,953 2.736,954 15.487,955 18.324,956 7.336,957 31.669,958 14.833,959 0.459,960 2.396,961 27.265,962 1.69,963 16.672,964 19.734,965 7.94,966 34.118,967 15.967,968 0.177,969 1.101,970 29.172,971 1.198,972 17.852,973 21.13,974 8.477,975 36.539,976 17.097,977 938,978 1895,979 8.671,980 13.455,981 22.398,982 23.64,983 23.54,984 21.647,985 21.559,986 27.256,987 6.869,988 67.068,989 20.434,990 5.489,991 5.847,992 6.389,993 5.309,994 5.284,995 6.764,996 3.071,997 19.426,998 5.01,999 7.224,1000 1.6,1001 1.689,1002 1.681,1003 1.546,1004 1.54,1005 1.947,1006 0.491,1007 4.791,1008 1.46,1009 4,1010 4.055,1011 3.974,1012 3.775,1013 7.444,1014 3.82,1015 3.504,1016 3.576,1017 3.436,1018 3.211,1019 7.411,1020 3.256,1021 3.271,1022 3.359,1023 3.146,1024 2.999,1025 4.945,1026 3.013,1027 2.909,1028 2.965,1029 2.746,1030 2.627,1031 4.08,1032 2.645,1033 2.794,1034 2.827,1035 2.571,1036 2.463,1037 3.92,1038 2.492,1039 2.276,1040 2.374,1041 2.133,1042 2.041,1043 3.511,1044 2.051,1045 2.113,1046 2.195,1047 1.994,1048 1.677,1049 3.146,1050 1.752,1051 1.352,1052 1.503,1053 1.1,1054 0.829,1055 2.569,1056 0.85,1057 0.325,1058 0.283,1059 0.494,1060 0.303,1061 0.235,1062 4.545,1063 0.292,1064 3.965,1065 0.126,1066 6.915,1067 0.816,1068 4.236,1069 0.223,1070 3.284,1071 4.087,1072 1.761,1073 11.426,1074 3.123,1075 1.715,1076 1.673,1077 1.821,1078 1.972,1079 0.904,1080 1.926,1081 1.365,1082 1.28,1083 1.616,1084 1.681,1085 0.665,1086 1.652,1087 1.189,1088 1.091,1089 1.479,1090 1.486,1091 0.471,1092 1.506,1093 1.123,1094 1.05,1095 1.356,1096 1.374,1097 0.337,1098 1.372,1099 0.669,1100 0.631,1101 0.806,1102 1.034,1104 0.976,1105 0.444,1106 0.423,1107 0.583,1108 0.831,1110 0.753,1113 0.171,1114 0.058,1116 0.12,1123 3.367,1125 4.727,1126 2.398,1127 6.301,1128 4.595,1129 7.977,1130 6.629,1131 9.708,1132 3.015,1140 2.382,1144 13.569,1145 38.587,1146 70.729,1147 74.729,1148 76.729,1149 82.729,1150 82.729,1151 20.502,1152 5.576,1153 72.68,1154 72.68,1155 11,1156 12.011,1157 3,1158 2.459,1159 18.906,1160 26,1161 13,1162 0.458,1163 86.59,1164 145.06,1165 203.04,1166 1268,1168 9.585,1169 0.737,1170 0.557,1171 9.585,1172 7.235,1173 6.126,1174 0.438,1175 0.266,1176 3.596,1177 5.673,1178 3.471,1179 2.912,1180 6.126,1181 3.718,1182 5.695,1183 0.271,1184 0.134,1185 5.695,1186 2.806,1187 5.464,1188 0.182,1189 0.068,1190 5.464,1191 2.036,1192 4.06,1193 0.11,1194 0.034,1195 4.06,1196 1.266,1197 2.704,1198 0.068,1199 0.017,1200 2.704,1201 0.662,1202 0.632,1203 40.062,1204 0.34,1205 12.404,1206 1.543,1207 70,1208 274.739,1209 82.976,1210 257.659,1211 343.62,1212 238,1213 86,1214 251.047,1215 100.615,1216 251.463,1217 371.46,1218 233,1219 4.854} {0 CHEMBL20402,1 1.496,2 9.115,3 4.114,4 16.926,5 99.906,6 6.817,7 0.393,8 4.023,9 4.16,10 3.512,11 3.524,12 5.063,13 3.49,14 4.594,15 4.8,16 3.897,17 3.926,18 5.584,19 3.866,20 4.863,21 5.09,22 3.999,23 4.06,24 5.883,25 3.984,26 5.007,27 5.277,28 4.028,29 4.038,30 6.121,31 3.974,32 4.839,33 5.057,34 3.985,35 4.012,36 5.965,37 3.97,38 4.863,39 5.061,40 3.958,41 4.054,42 6.034,43 4.001,44 4.932,45 5.156,46 3.786,47 4.042,48 6.053,49 3.941,50 4.821,51 5.066,52 3.542,53 3.956,54 5.803,55 3.803,56 0.025,57 0.776,58 11.758,59 4.596,60 7.227,61 6.665,62 0.34,63 1.241,64 22.207,65 7.806,66 22.611,67 11.582,68 0.256,69 1.501,70 29.527,71 9.716,72 33.68,73 14.701,74 0.722,75 1.554,76 36.2,77 9.499,78 95.849,79 15.136,80 0.428,81 1.432,82 29.679,83 8.156,84 60.288,85 12.515,86 0.423,87 1.466,88 30.25,89 8.588,90 65.95,91 12.738,92 0.506,93 1.451,94 32.911,95 9.784,96 84.702,97 14.247,98 0.351,99 1.285,100 28.973,101 10.005,102 63.983,103 14.444,104 46,105 40,106 0.252,107 0.553,108 0.696,109 0.753,110 0.801,111 0.801,112 3.305,113 0.982,114 -4.75,115 -4.67,116 -4.39,117 38.5,118 4,119 1,120 2,123 2,130 5,131 1,133 1,139 1,140 1,141 1,143 1,150 11,152 4,153 3,155 2,157 1,158 10,161 3,162 5,166 2,167 3,170 2,171 10,174 3,176 3,182 1,183 14,188 3,193 17,198 1,201 2,203 11,208 1,210 8,212 4,217 2,219 13,222 1,229 15,231 916,232 17.052,233 17.052,234 17.052,235 17.052,236 17.052,237 15.621,238 14.589,239 10.037,240 17.313,241 13.811,242 13.811,243 13.811,244 13.811,245 13.811,246 11.487,247 18.073,248 4.793,249 14.239,250 4.205,251 2.416,252 1.565,253 1.226,254 0.943,255 0.943,256 3.98,261 1,262 493,263 3.606,265 55.499,266 150.843,269 104.489,270 1.441,271 28.766,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 56,282 237,283 4.619,284 3.988,285 7.004,286 4.299,287 3.349,288 4.238,289 1.761,290 11.897,291 3.177,292 4.149,293 3.395,294 6.23,295 3.798,296 2.833,297 3.61,298 1.083,299 9.293,300 2.735,301 3.732,302 3.013,303 5.992,304 3.451,305 2.492,306 3.081,307 0.526,308 8.278,309 2.392,310 3.65,311 2.65,312 5.874,313 3.363,314 2.384,315 2.8,316 0.064,317 7.876,318 2.32,319 3.219,320 2.251,321 4.677,322 3.154,323 2.159,324 2.416,326 5.147,327 2.142,328 3.16,329 2.194,330 4.646,331 2.998,332 2.002,333 2.19,335 5.002,336 1.985,337 3.066,338 1.807,339 4.422,340 2.697,341 1.72,342 2.102,343 4.313,344 1.677,345 2.564,346 1.768,347 4.108,348 2.096,349 1.121,350 1.579,351 2.878,352 1.088,353 2.5,354 1.49,355 3.755,356 2,357 1,358 1.5,359 2.642,360 1,361 2.368,362 1.017,363 3.463,364 1.97,365 1,366 1.278,367 2.136,368 0.961,369 2.12,370 1,371 3.254,372 1.666,373 0.674,374 0.905,376 1.741,377 0.659,378 1.817,379 0.823,380 3.247,381 1.491,382 0.525,383 0.622,385 1.37,386 0.505,387 1.182,388 0.466,389 2.65,390 0.921,391 -0.114,392 -0.136,394 -0.269,395 -0.116,396 0.753,397 -0.238,398 2.42,399 0.352,400 -0.627,401 -0.726,403 -1.512,404 -0.609,405 0.512,406 -0.584,407 2.354,408 0.28,409 -0.712,410 -0.93,412 -1.911,413 -0.701,414 12.267,415 0.472,416 0.792,417 0.03,418 30.5,419 1.173,420 13.5,421 0.519,422 17,423 0.654,424 25.613,425 0.985,426 29.133,427 0.56,428 22.88,429 0.88,430 5.484,431 0.211,432 6.895,433 0.265,434 0.217,436 0.391,437 0.705,438 1.563,439 0.861,440 1.247,441 0.56,442 1.096,443 0.482,444 1.074,445 0.783,446 0.981,447 0.488,448 0.931,449 0.786,450 1.331,451 0.88,452 1.192,453 0.759,454 1.067,455 1.206,456 0.836,457 0.803,458 0.668,459 1.183,460 0.668,461 1.657,462 1.055,463 1.08,464 0.886,465 1.56,466 0.887,467 1.949,468 1.103,469 1.326,470 1.036,471 1.844,472 1.075,473 1.937,474 0.995,475 1.393,476 1.043,477 2.01,478 1.132,479 1.3,480 0.982,481 1.25,482 1.111,483 1.42,484 1.175,485 5.5,486 0.078,487 3.111,488 2.035,489 2.033,490 1.4,491 0.945,492 0.457,493 0.328,494 0.126,495 6671,496 15016,497 1.992,498 50,499 13,500 9,503 1,505 3,507 1.7,508 1.814,509 3.155,510 -0.332,512 1,515 77.773,516 1.496,517 3.284,518 4.135,519 4.474,520 4.758,521 4.758,522 2.676,523 4.239,524 4.664,525 3.315,526 1077.53,527 8.136,528 13033.5,530 1,532 1,533 296.423,534 1.549,535 4.601,536 0.196,537 0.009,538 0.078,539 0.048,540 0.047,541 0.033,542 0.024,543 0.014,544 0.013,545 0.007,546 0.47,547 0.17,548 1,549 1.419,550 124.518,551 -0.011,552 -0.279,553 0.056,554 -0.099,555 -0.038,556 -0.028,557 0.334,558 0.083,559 0.173,560 0.058,561 0.105,562 0.078,563 0.142,564 -0.262,565 0.092,566 -0.187,567 0.063,568 -0.077,569 0.169,570 0.137,571 0.245,572 0.218,573 0.145,574 0.242,575 -0.187,576 0.039,577 -0.039,578 0.052,579 -0.101,580 0.037,581 -0.361,582 0.012,583 -0.282,584 -0.078,585 -0.176,586 -0.149,587 -0.377,588 0.021,589 -0.354,590 -0.087,591 -0.227,592 -0.197,593 -0.218,594 -0.016,595 -0.272,596 -0.102,597 -0.159,598 -0.183,599 1.982,600 5.976,601 0.577,602 24.249,603 0.996,604 1.134,605 3.525,606 12.424,607 0.641,608 3.367,609 3.714,610 3.989,611 4.304,612 4.585,613 4.762,614 4.898,615 5.024,616 5.056,617 5.011,618 5.57,619 0.602,620 354.5,621 3.367,622 4.92,623 5.778,624 6.678,625 7.571,626 8.484,627 9.394,628 10.315,629 11.233,630 12.158,631 7.7,634 2,635 1,637 5,638 1,639 1,640 4,642 11,648 52,649 13,650 1,651 28,652 54,653 20,654 9,655 1,656 5,657 1,659 3,660 4,662 1,663 4,668 1,670 11,671 9,672 2,673 2,676 2,678 2,680 1,681 26,682 5,683 1,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 4,715 26,719 3,722 2,723 2,729 3.8,732 2,735 14.333,736 10.517,737 5.694,738 3.424,739 2.061,740 1.284,741 0.948,742 5.473,743 9.32,744 3.597,745 4.139,746 4.688,747 5.264,748 5.73,749 6.097,750 6.47,751 6.818,752 7.107,753 7.302,754 1,755 42,756 9.709,758 4.138,759 7.756,760 18.573,762 15.231,764 2.256,765 58.667,767 1,768 1,769 294.278,770 109.007,771 39.82,773 50.29,775 109.007,776 344.567,777 39.82,778 35.301,779 12.995,780 47.381,781 74.108,782 25.056,783 4.276,784 294.278,786 294.278,787 148.826,788 50.29,790 258.964,791 85.603,793 72.494,794 59.547,795 16.786,797 294.278,798 90.11,799 109.007,801 294.278,802 26.325,803 88.931,804 16.786,805 67.075,806 294.278,807 90.11,808 109.007,809 0.584,810 0.326,811 0.182,812 0.113,813 19,814 10,815 0.111,816 6,817 1,818 1.133,819 3.586,820 224.005,821 0.133,822 15,823 111.457,825 18.655,826 7.627,827 3.857,829 73.324,830 9.634,831 4.531,832 3.198,833 2.331,835 16.786,836 493.394,837 35.5,840 25.887,842 -0.579,843 51.781,844 58.979,845 0.262,846 0.576,847 0.725,848 0.785,849 0.835,850 0.835,851 4.858,852 1.121,853 5.79,854 4.313,855 4.394,856 4.824,857 2.197,858 6.648,859 4.329,860 6.055,861 1,862 7.381,863 2.878,864 4.111,865 4.635,866 1.404,867 7.656,868 4.011,869 7.358,870 1,871 9.076,872 2.642,873 6.023,874 6.922,875 2.804,876 10.807,877 5.871,878 8.696,879 0.674,880 10.831,881 2.136,882 6.538,883 7.565,884 2.647,885 12.643,886 6.336,887 10.071,888 0.525,889 12.626,890 1.741,891 7.971,892 9.357,893 3.665,894 15.342,895 7.717,896 11.472,897 -0.114,898 14.449,899 1.37,900 8.848,901 10.393,902 3.851,903 17.524,904 8.536,905 12.895,906 -0.627,907 16.292,908 -0.269,909 10.11,910 11.983,911 4.661,912 20.072,913 9.746,914 3.349,915 -0.712,916 18.151,917 -1.512,918 11.158,919 13.216,920 5.029,921 22.41,922 10.734,923 2.833,924 11.897,925 20.022,926 -1.911,927 12.363,928 14.717,929 5.726,930 24.906,931 11.886,932 2.492,933 9.293,934 21.902,935 4.238,936 13.492,937 16.049,938 6.188,939 27.315,940 12.955,941 2.384,942 8.278,943 23.791,944 3.61,945 14.683,946 17.511,947 6.825,948 29.794,949 14.091,950 2.159,951 7.876,952 25.686,953 3.081,954 15.848,955 18.894,956 7.336,957 32.238,958 15.199,959 2.002,960 5.147,961 27.588,962 2.8,963 17.039,964 20.341,965 7.94,966 34.712,967 16.335,968 1.72,969 5.002,970 29.495,971 2.416,972 18.223,973 21.749,974 8.477,975 37.172,976 17.462,977 6722,978 10278,979 17.918,980 33.307,981 43.497,982 45.04,983 44.774,984 42.484,985 42.52,986 52.64,987 6.869,988 125.146,989 41.285,990 5.572,991 5.988,992 6.806,993 5.375,994 5.349,995 7.238,996 3.071,997 19.897,998 5.177,999 15.698,1000 1.553,1001 1.609,1002 1.599,1003 1.517,1004 1.519,1005 1.88,1006 0.245,1007 4.469,1008 1.474,1009 4.069,1010 4.115,1011 4.04,1012 3.921,1013 7.444,1014 3.939,1015 3.841,1016 3.88,1017 3.773,1018 3.719,1019 7.411,1020 3.731,1021 3.722,1022 3.788,1023 3.574,1024 3.591,1025 4.959,1026 3.577,1027 3.653,1028 3.719,1029 3.504,1030 3.51,1031 4.65,1032 3.501,1033 3.423,1034 3.486,1035 3.335,1036 3.176,1037 4.27,1038 3.207,1039 3.123,1040 3.193,1041 3.031,1042 2.877,1043 4.228,1044 2.883,1045 3.002,1046 3.044,1047 2.84,1048 2.773,1049 3.856,1050 2.801,1051 2.874,1052 3.009,1053 2.687,1054 2.735,1055 3.688,1056 2.715,1057 0.165,1058 0.142,1059 0.25,1060 0.154,1061 0.12,1062 4.619,1063 0.151,1064 3.988,1065 0.063,1066 7.004,1067 0.425,1068 4.299,1069 0.113,1070 3.349,1071 4.238,1072 1.761,1073 11.897,1074 3.177,1075 1.905,1076 1.876,1077 2.021,1078 2.025,1079 1.314,1080 2.013,1081 1.809,1082 1.758,1083 2.017,1084 1.988,1085 1.246,1086 1.996,1087 1.727,1088 1.663,1089 1.978,1090 1.898,1091 1.088,1092 1.93,1093 1.572,1094 1.522,1095 1.719,1096 1.777,1097 0.877,1098 1.778,1099 1.308,1100 1.24,1101 1.531,1102 1.575,1103 0.706,1104 1.555,1105 1.196,1106 1.121,1107 1.417,1108 1.418,1109 0.469,1110 1.431,1111 0.962,1112 0.905,1113 1.417,1114 1.259,1115 0.469,1116 1.308,1117 0.934,1118 0.821,1119 1.379,1120 1.239,1121 0.433,1122 1.308,1123 4.043,1125 5.38,1126 2.398,1127 6.907,1128 4.727,1129 8.535,1130 6.88,1131 10.227,1132 8.267,1136 1.725,1139 0.685,1140 2.988,1144 31.31,1145 77.773,1146 170.765,1147 215.039,1148 232.648,1149 247.403,1150 247.403,1151 58.561,1152 7.259,1153 72.68,1154 72.68,1155 17,1156 12.665,1157 3.807,1158 3.087,1159 43.907,1160 88,1161 85,1162 0.26,1163 195.115,1164 338.78,1165 467.841,1166 11694,1168 18.845,1169 0.725,1170 0.608,1171 18.845,1172 15.821,1173 12.38,1174 0.442,1175 0.327,1176 9.058,1177 11.96,1178 8.692,1179 7.373,1180 12.38,1181 9.169,1182 11.604,1183 0.29,1184 0.189,1185 11.604,1186 7.575,1187 9.089,1188 0.171,1189 0.083,1190 9.089,1191 4.389,1192 7.721,1193 0.106,1194 0.041,1195 7.721,1196 3.016,1197 6.442,1198 0.066,1199 0.022,1200 6.442,1201 2.15,1202 0.392,1203 77.326,1204 0.236,1205 24.542,1206 0.767,1207 136,1208 374.739,1209 150.309,1210 363.092,1211 499,1212 338,1213 161,1214 375.385,1215 177.447,1216 379.453,1217 564.15,1218 356,1219 5} {0 CHEMBL21053,1 1.658,2 7.1,3 1.825,4 3.331,5 73.947,6 7.951,7 0.5,8 3.653,9 3.773,10 3.284,11 3.14,12 4.831,13 3.155,14 4.18,15 4.371,16 3.69,17 3.529,18 5.332,19 3.539,20 4.323,21 4.468,22 3.836,23 3.673,24 5.614,25 3.682,26 4.516,27 4.702,28 3.763,29 3.638,30 5.952,31 3.642,32 4.342,33 4.543,34 3.46,35 3.574,36 5.467,37 3.512,38 4.365,39 4.609,40 3.222,41 3.497,42 5.416,43 3.371,44 4.226,45 4.507,46 2.981,47 3.218,48 5.303,49 3.094,50 3.791,51 4.034,52 2.531,53 2.829,54 4.958,55 2.7,56 0.048,57 0.547,58 6.092,59 2.625,60 4.575,61 3.44,62 0.376,63 0.86,64 12.952,65 4.105,66 13.684,67 5.725,68 0.2,69 0.973,70 13.445,71 5.429,72 15.985,73 7.028,74 0.711,75 1.043,76 19.542,77 5.063,78 97.416,79 6.551,80 0.35,81 0.913,82 15.604,83 5.07,84 26.547,85 6.82,86 0.284,87 0.835,88 17.78,89 6.297,90 36.837,91 8.808,92 0.328,93 0.65,94 17.437,95 5.45,96 46.109,97 7.793,98 0.205,99 0.422,100 10.448,101 3.511,102 29.353,103 4.737,104 26,105 33,106 0.305,107 0.608,108 0.67,109 0.767,110 0.814,111 0.814,112 3.06,113 0.845,114 -3.71,115 -3.68,116 -3.5,117 41.2,122 3,130 5,131 1,134 1,138 1,140 1,141 1,143 1,150 6,152 6,153 2,158 6,161 3,162 4,167 3,170 5,171 5,182 1,183 6,193 7,203 7,212 4,222 1,231 370,232 13.173,233 13.173,234 13.173,235 13.173,236 13.173,237 11.662,238 14.589,239 7.423,240 13.484,241 10.751,242 10.751,243 10.751,244 10.751,245 10.751,246 8.31,247 20.482,248 3.464,249 11.213,250 3.43,251 1.78,252 1.438,253 0.912,254 0.655,255 0.655,256 3.728,260 1,261 1,262 302,263 2.121,265 36.74,266 103.817,269 71.286,270 1.11,271 23.3,273 1,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 44,282 142,283 4.711,284 3.98,285 7.116,286 4.35,287 3.403,288 4.409,289 1.761,290 12.244,291 3.221,292 4.173,293 3.412,294 6.448,295 3.847,296 2.89,297 3.606,298 1.083,299 9.772,300 2.767,301 3.766,302 3.122,303 5.937,304 3.383,305 2.404,306 3.133,307 0.526,308 7.943,309 2.341,310 3.573,311 2.6,312 5.853,313 3.274,314 2.329,315 2.757,316 0.064,317 7.622,318 2.195,319 3.208,320 2.14,321 4.95,322 2.765,323 1.788,324 2.444,326 5.031,327 1.738,328 2.817,329 1.665,330 4.329,331 2.36,332 1.391,333 1.904,335 3.568,336 1.34,337 2.5,338 1.58,339 3.711,340 2,341 1.025,342 1.5,343 2.651,344 1,345 2.442,346 1.187,347 3.523,348 1.963,349 1,350 1.411,351 2.136,352 0.958,353 1.948,354 1.016,355 3.247,356 1.531,357 0.53,358 0.695,359 1.353,360 0.522,361 1.748,362 1,363 3.187,364 1.316,365 0.295,366 0.371,367 0.663,368 0.295,369 0.951,370 0.038,371 2.535,372 0.614,373 -0.368,374 -0.457,376 -0.886,377 -0.357,378 0.616,379 -0.445,380 2.166,381 0.204,382 -0.771,383 -0.991,385 -1.772,386 -0.746,387 0.5,388 -0.61,389 2,391 -1,392 -1.416,394 -2.347,395 -1,396 0.183,397 -0.745,398 1.785,399 -0.206,400 -1.152,401 -1.5,403 -3.052,404 -1.073,406 -1,407 1.555,408 -0.267,409 -1.264,410 -1.504,412 -3.195,413 -1.252,414 9.267,415 0.463,416 0.652,417 0.033,418 27.75,419 1.388,420 13.5,421 0.675,422 14.25,423 0.713,424 13.292,425 0.665,426 21.333,427 0.627,428 20.626,429 1.031,430 5.728,431 0.286,432 3.791,433 0.19,434 0.234,436 0.453,437 0.697,438 1.701,439 0.687,440 1.231,441 0.532,442 0.997,443 0.63,444 0.711,445 0.638,446 0.555,447 0.536,448 0.569,449 0.788,450 1.44,451 0.747,452 1.283,453 0.86,454 1.06,455 1.592,456 0.974,457 1.26,458 0.851,459 1.589,460 0.956,461 1.142,462 1.016,463 1.309,464 1.089,465 0.906,466 1.189,467 0.846,468 1.003,469 1.105,470 1.181,471 0.84,472 1.198,473 1.025,474 0.757,475 0.907,476 0.862,477 1.122,478 0.873,479 1.234,480 0.928,481 1.22,482 1.169,483 1.415,484 1.208,485 3.5,487 3.111,488 2.354,489 1.833,490 0.837,491 0.412,492 0.214,493 0.105,494 0.031,495 3205,496 9440,497 2.018,498 41.2,500 14,507 1.625,508 1.818,509 2.837,510 -0.689,512 1,514 1,515 56.368,516 1.658,517 3.308,518 3.649,519 4.175,520 4.433,521 4.433,522 2.271,523 3.822,524 4.295,525 2.929,526 556.55,527 7.372,528 5418.46,529 1,530 1,532 1,533 172.974,534 1.539,535 4.214,536 0.159,538 0.094,539 0.064,540 0.057,541 0.035,542 0.023,543 0.015,544 0.013,545 0.016,546 0.476,547 0.67,548 1,549 0.716,550 85.567,551 -0.041,552 -0.506,553 0.072,554 -0.219,555 -0.059,556 -0.085,557 0.231,558 0.442,559 0.258,560 0.369,561 0.05,562 0.328,563 0.114,564 -0.344,565 0.101,566 -0.285,567 0.036,568 -0.135,569 -0.122,570 0.076,571 -0.268,572 0.018,573 -0.03,574 -0.124,575 -0.228,576 0.044,577 -0.397,578 -0.145,579 -0.108,580 -0.268,581 -0.063,582 -0.112,583 -0.122,584 -0.166,585 -0.036,586 -0.156,587 -0.043,588 0.026,589 0.185,590 0.141,591 -0.015,592 0.199,593 -0.156,594 -0.11,595 -0.176,596 -0.161,597 -0.129,598 -0.174,599 2.041,600 5.256,601 0.75,602 12.2,603 1.014,604 1.132,605 2.485,606 6.173,607 0.669,608 3.135,609 3.526,610 3.892,611 4.174,612 4.407,613 4.522,614 4.595,615 4.635,616 4.564,617 4.382,618 4.357,619 0.651,620 270.32,621 3.135,622 4.71,623 5.609,624 6.526,625 7.446,626 8.372,627 9.299,628 10.23,629 11.16,630 12.094,631 11.8,634 2,635 1,637 5,638 1,640 4,641 1,642 11,648 34,649 13,650 1,651 22,652 36,653 14,654 9,655 1,656 5,657 1,659 3,660 4,662 1,670 11,671 3,673 2,676 2,678 2,679 1,680 1,681 14,682 5,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 3,715 20,723 2,729 5.9,732 2,735 11,736 7.3,737 4.333,738 1.882,739 2.166,740 1.32,741 0.986,742 2.872,743 8.94,744 3.418,745 4.039,746 4.674,747 5.253,748 5.706,749 6.048,750 6.412,751 6.711,752 6.945,753 7.065,754 0.8,755 37,756 7.398,758 3.206,759 7.95,760 13.759,762 11.162,764 2.45,765 49,769 164.795,770 92.149,771 24.933,773 50.29,775 92.149,776 215.085,777 24.933,778 25.189,779 6.249,780 47.381,781 74.108,782 5.085,783 9.36,784 164.795,786 164.795,787 117.082,788 50.29,790 164.795,791 50.29,793 10.476,794 89.821,795 16.786,797 164.795,798 75.223,799 92.149,801 164.795,802 19.579,803 80.718,805 67.075,806 164.795,807 75.223,808 92.149,809 0.602,810 0.384,811 0.204,812 0.109,813 18,814 9,815 0.028,816 1,817 1,818 1.133,819 3.044,820 161.579,821 0.133,822 15,823 82.439,825 12.881,826 4.459,827 1.78,829 73.324,830 9.576,831 4.457,833 2.396,834 1.729,836 332.168,837 29.5,840 24.193,842 -0.708,843 34.48,844 38.488,845 0.326,846 0.65,847 0.717,848 0.821,849 0.871,850 0.871,851 4.689,852 1,853 5.645,854 2.651,855 4.205,856 4.723,857 2.197,858 6.564,859 4.12,860 5.927,861 0.53,862 7.286,863 2.136,864 4.007,865 4.649,866 1.404,867 7.667,868 3.862,869 7.266,870 0.295,871 9.028,872 1.353,873 5.905,874 6.934,875 2.804,876 10.851,877 5.72,878 8.644,879 -0.368,880 10.826,881 0.663,882 6.524,883 7.689,884 2.647,885 12.749,886 6.272,887 10.056,888 -0.771,889 12.658,890 -0.886,891 7.943,892 9.472,893 3.665,894 15.481,895 7.648,896 11.492,897 -1,898 14.513,899 -1.772,900 8.901,901 10.604,902 3.851,903 17.708,904 8.541,905 12.948,906 -1.152,907 16.385,908 -2.347,909 10.165,910 12.199,911 4.661,912 20.289,913 9.757,914 3.403,915 -1.264,916 18.269,917 -3.052,918 11.267,919 13.511,920 5.029,921 22.665,922 10.796,923 2.89,924 12.244,925 20.163,926 -3.195,927 12.484,928 15.031,929 5.726,930 25.191,931 11.962,932 2.404,933 9.772,934 22.066,935 4.409,936 13.648,937 16.429,938 6.188,939 27.634,940 13.065,941 2.329,942 7.943,943 23.975,944 3.606,945 14.855,946 17.922,947 6.825,948 30.142,949 14.218,950 1.788,951 7.622,952 25.891,953 3.133,954 16.046,955 19.361,956 7.336,957 32.617,958 15.35,959 1.391,960 5.031,961 27.812,962 2.757,963 17.255,964 20.844,965 7.94,966 35.119,967 16.503,968 1.025,969 3.568,970 29.738,971 2.444,972 18.459,973 22.304,974 8.477,975 37.608,976 17.65,977 3215,978 5626,979 14.046,980 22.739,981 34.955,982 36.495,983 36.604,984 34.215,985 34.108,986 44.459,987 6.869,988 105.962,989 32.752,990 5.658,991 5.98,992 6.918,993 5.424,994 5.403,995 7.409,996 3.071,997 20.244,998 5.221,999 11.373,1000 1.589,1001 1.659,1002 1.664,1003 1.555,1004 1.55,1005 2.021,1006 0.312,1007 4.816,1008 1.489,1009 4.075,1010 4.12,1011 4.052,1012 3.928,1013 7.444,1014 3.948,1015 3.822,1016 3.857,1017 3.76,1018 3.696,1019 7.411,1020 3.714,1021 3.522,1022 3.591,1023 3.451,1024 3.256,1025 4.924,1026 3.295,1027 3.284,1028 3.377,1029 3.151,1030 3.01,1031 4.643,1032 3.023,1033 2.991,1034 3.091,1035 2.812,1036 2.776,1037 4.075,1038 2.763,1039 2.918,1040 2.964,1041 2.75,1042 2.741,1043 3.942,1044 2.733,1045 2.854,1046 2.925,1047 2.687,1048 2.735,1049 3.776,1050 2.715,1051 2.792,1052 2.82,1053 2.569,1054 2.469,1055 3.674,1056 2.492,1057 0.214,1058 0.181,1059 0.323,1060 0.198,1061 0.155,1062 4.711,1063 0.2,1064 3.98,1065 0.08,1066 7.116,1067 0.557,1068 4.35,1069 0.146,1070 3.403,1071 4.409,1072 1.761,1073 12.244,1074 3.221,1075 1.909,1076 1.88,1077 2.023,1078 2.011,1079 1.105,1080 2.011,1081 1.729,1082 1.688,1083 1.836,1084 1.965,1085 0.94,1086 1.93,1087 1.443,1088 1.367,1089 1.682,1090 1.705,1091 0.746,1092 1.7,1093 1.248,1094 1.149,1095 1.6,1096 1.542,1097 0.657,1098 1.564,1099 1.076,1100 1.015,1101 1.294,1102 1.301,1103 0.369,1104 1.304,1105 0.906,1106 0.825,1107 1.194,1108 1.154,1109 0.291,1110 1.174,1111 0.886,1112 0.821,1113 1.181,1114 1.062,1115 0.218,1116 1.107,1117 0.648,1118 0.621,1119 0.805,1120 1.011,1122 0.939,1123 3.807,1125 5.176,1126 2.398,1127 6.758,1128 4.844,1129 8.436,1130 7.066,1131 10.166,1132 4.87,1140 2.488,1144 22.149,1145 56.368,1146 112.47,1147 124.08,1148 141.954,1149 150.709,1150 150.709,1151 33.991,1152 6.773,1153 61.82,1154 61.82,1155 17,1156 12.594,1157 3.807,1158 3.087,1159 29.721,1160 55,1161 50,1162 0.299,1163 137.561,1164 234.98,1165 327.409,1166 6258,1168 14.439,1169 0.722,1170 0.575,1171 14.439,1172 11.492,1173 9.52,1174 0.433,1175 0.282,1176 6.067,1177 9.045,1178 5.827,1179 4.891,1180 9.52,1181 6.199,1182 8.834,1183 0.268,1184 0.144,1185 8.834,1186 4.738,1187 8.347,1188 0.174,1189 0.073,1190 8.347,1191 3.507,1192 6.677,1193 0.104,1194 0.037,1195 6.677,1196 2.364,1197 5.197,1198 0.064,1199 0.019,1200 5.197,1201 1.543,1202 0.439,1203 60.547,1204 0.267,1205 19.175,1206 0.915,1207 110,1208 354.052,1209 124.003,1210 339.642,1211 466.02,1212 316,1213 136,1214 350.597,1215 152.613,1216 355.355,1217 528.08,1218 331,1219 4.569} {0 CHEMBL23903,1 1.918,2 6.063,3 0.564,4 0.318,5 58.677,6 8.989,7 0.294,8 3.435,9 3.557,10 3.152,11 2.846,12 4.615,13 2.877,14 3.996,15 4.199,16 3.523,17 3.238,18 5.166,19 3.254,20 4.102,21 4.25,22 3.66,23 3.363,24 5.441,25 3.388,26 4.271,27 4.441,28 3.622,29 3.348,30 5.809,31 3.36,32 4.072,33 4.279,34 3.297,35 3.184,36 5.286,37 3.095,38 3.928,39 4.191,40 2.941,41 2.839,42 5.103,43 2.689,44 3.503,45 3.806,46 2.528,47 2.506,48 4.432,49 2.258,50 3.134,51 3.439,52 1.907,53 1.868,54 4.388,55 1.55,56 0.113,57 0.413,58 4.033,59 1.859,60 7.113,61 2.505,62 0.454,63 0.612,64 13.189,65 3.061,66 18.747,67 4.338,68 0.375,69 0.677,70 12.42,71 4.012,72 22.274,73 5.194,74 0.747,75 0.66,76 14.356,77 3.874,78 97.326,79 4.789,80 0.466,81 0.499,82 13.913,83 3.743,84 30.973,85 5.006,86 0.536,87 0.338,88 15.706,89 3.451,90 61.554,91 4.912,92 0.253,93 0.174,94 11.211,95 3.089,96 31.479,97 4.373,98 0.352,99 0.05,100 16.14,101 2.145,102 44.963,103 2.864,104 28,105 25,106 0.382,107 0.658,108 0.788,109 0.803,110 0.847,111 0.847,112 2.856,113 0.932,114 -2.59,115 -2.61,116 -2.54,117 33.3,122 2,123 2,134 1,138 1,140 1,141 1,142 1,152 6,161 3,162 1,170 5,182 1,183 1,193 3,212 1,231 230,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.704,238 15.303,239 5.949,240 10.953,241 8.248,242 8.248,243 8.248,244 8.248,245 8.248,246 6.832,247 20.482,248 2.654,249 8.976,250 2.836,251 1.453,252 0.797,253 0.723,254 0.5,255 0.5,256 3.492,257 1,261 1,262 196,263 2.345,265 30.097,266 36.026,269 55.906,270 0.953,271 24.196,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 36.333,282 97,283 4.63,284 3.976,285 7.045,286 4.296,287 3.347,288 4.244,289 1.761,290 11.97,291 3.174,292 3.92,293 3.403,294 6.169,295 3.574,296 2.637,297 3.193,298 1.083,299 8.719,300 2.464,301 3.577,302 2.959,303 5.864,304 3.288,305 2.341,306 2.752,307 0.526,308 7.634,309 2.208,310 3.124,311 2.396,312 5.024,313 2.756,314 1.804,315 2.252,316 0.064,317 5.376,318 1.692,319 2.438,320 1.971,321 3.974,322 2.016,323 1.133,324 1.418,326 2.694,327 0.985,328 2.135,329 1.663,330 3.62,331 1.779,332 0.932,333 1.068,335 1.776,336 0.714,337 1.903,338 1.223,339 3.208,340 1.462,341 0.465,342 0.625,343 1.158,344 0.455,345 1.724,346 1.031,347 2.844,348 1.265,349 0.262,350 0.334,351 0.549,352 0.249,353 0.791,354 0.188,355 2,356 0.396,357 -0.39,358 -0.437,359 -0.671,360 -0.259,361 0.264,362 -0.438,363 2,364 -0.127,365 -1,366 -1.139,367 -2.235,368 -0.878,370 -0.476,371 1.828,372 -0.267,373 -1.26,374 -1.475,376 -3.062,377 -1.23,378 -0.052,379 -0.89,380 1.604,381 -0.467,382 -1.394,383 -1.623,385 -3.705,386 -1.254,387 -0.155,388 -1.129,389 1.35,390 -0.523,391 -1.451,392 -1.844,394 -4.394,395 -1.399,396 -0.475,397 -1.332,398 1.248,399 -0.671,400 -1.61,401 -2,402 -0.4,403 -4.987,404 -1.556,405 -0.65,406 -1.716,407 1.186,408 -0.978,409 -1.88,410 -2.11,411 -0.66,412 -5.896,413 -1.708,414 7.481,415 0.468,416 0.511,417 0.032,418 19.5,419 1.219,420 7.5,421 0.469,422 12,423 0.75,424 11.273,425 0.705,426 18.319,427 0.678,428 13.629,429 0.852,430 3.934,431 0.246,432 3.641,433 0.228,434 0.318,436 0.428,437 0.713,438 2.162,439 0.54,440 1.283,441 0.519,442 1.051,443 0.752,444 0.686,445 0.812,446 0.558,447 0.587,448 0.57,449 0.835,450 1.405,451 0.79,452 1.286,453 0.9,454 1.055,455 1.411,456 0.991,457 0.88,458 0.798,459 1.575,460 0.973,461 1.114,462 1.077,463 1.177,464 1.183,465 0.972,466 1.32,467 0.973,468 0.686,469 0.931,470 0.962,471 1.167,472 1.09,473 0.658,474 0.763,475 0.835,476 0.862,477 0.722,478 0.924,479 1.464,480 0.042,481 2.924,482 1.344,483 1.271,484 0.962,485 3,487 2.667,488 1.75,489 1.597,490 0.553,491 0.183,492 0.059,495 1522,496 6334,497 1.923,498 40.7,500 10,502 1,507 1.56,508 1.714,509 2.6,510 -0.55,514 1,515 51.799,516 1.918,517 3.302,518 3.958,519 4.032,520 4.255,521 4.255,522 2.149,523 3.875,524 3.969,525 2.647,526 317.644,527 6.73,528 2658.31,530 1,533 128.382,534 1.546,535 3.873,536 0.176,538 0.107,539 0.063,540 0.067,541 0.039,542 0.026,543 0.015,546 0.493,547 0.67,548 1,549 1.274,550 62.055,551 -0.091,552 -0.832,553 0.029,554 -0.322,555 -0.033,556 -0.153,557 0.069,558 0.458,559 0.021,560 0.325,561 0.017,562 0.316,563 0.033,564 -0.245,565 -0.038,566 -0.313,567 -0.011,568 -0.132,569 -0.186,570 0.037,571 -0.17,572 0.045,573 -0.081,574 -0.149,575 -0.202,576 -0.079,577 -0.239,578 -0.238,579 -0.112,580 -0.383,581 0.041,582 0.069,583 0.088,584 -0.012,585 -0.077,586 -0.063,587 0.162,588 -0.142,589 0.396,590 0.236,591 0.064,592 0.278,593 -0.04,594 0.197,595 -0.328,596 -0.019,597 -0.002,598 0.307,599 2.048,600 4.904,601 0.563,602 8.547,603 1.034,604 1.149,605 1.357,606 1.841,607 0.661,608 2.89,609 3.258,610 3.611,611 3.871,612 4.025,613 4.078,614 3.97,615 3.829,616 3.466,617 2.773,618 3.669,619 0.646,620 242.69,621 2.89,622 4.443,623 5.333,624 6.244,625 7.157,626 8.076,627 8.995,628 9.916,629 10.836,630 11.758,631 14.8,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 27,649 7,651 17,652 28,653 9,654 3,657 1,658 1,659 2,660 3,661 1,662 1,663 1,670 5,671 4,673 2,676 2,678 2,680 1,681 11,682 5,684 7,685 1,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,714 1,715 16,719 2,723 2,728 1,729 7.4,732 2,735 9.333,736 5.61,737 3.611,738 1.463,739 1.22,740 1.203,741 0.937,742 2.905,743 7.224,744 3.114,745 3.67,746 4.268,747 4.79,748 5.047,749 5.316,750 5.379,751 5.396,752 5.233,753 4.486,754 1,755 28,756 5.91,758 2.521,759 8.174,760 10.8,762 8.526,764 2.674,765 42.778,766 0.001,769 129.482,770 44.432,771 24.933,772 39.149,773 50.29,775 44.432,776 218.921,777 24.933,778 16.793,779 11.204,781 92.17,782 1.899,783 9.36,784 156.86,786 129.482,787 69.365,788 50.29,789 39.149,790 129.482,791 50.29,793 21.722,794 30.858,795 55.934,797 129.482,798 75.223,799 83.58,801 129.482,802 19.02,803 33.559,805 106.224,806 129.482,807 75.223,808 83.58,809 0.591,810 0.382,811 0.208,812 0.109,813 13,814 7,815 0.036,816 1,817 1,818 1.222,819 2.625,820 112.085,821 0.222,822 9,823 64,825 11.421,826 4.07,827 1.636,829 73.324,830 1.522,831 4.054,833 0.795,834 1.657,836 288.286,837 21.5,840 23.525,842 -0.727,843 27.92,844 31.017,845 0.403,846 0.695,847 0.832,848 0.848,849 0.895,850 0.895,851 4.385,852 0.262,853 5.371,854 1.158,855 3.932,856 4.35,857 2.197,858 6.29,859 3.796,860 5.605,861 -0.39,862 7.015,863 0.549,864 3.761,865 4.35,866 1.404,867 7.413,868 3.603,869 6.942,870 -1,871 8.761,872 -0.671,873 5.631,874 6.515,875 2.804,876 10.584,877 5.387,878 8.32,879 -1.26,880 10.563,881 -2.235,882 6.275,883 7.356,884 2.647,885 12.488,886 6.003,887 9.734,888 -1.394,889 12.397,890 -3.062,891 7.671,892 9.033,893 3.665,894 15.213,895 7.325,896 11.171,897 -1.451,898 14.254,899 -3.705,900 8.643,901 10.222,902 3.851,903 17.439,904 8.261,905 12.627,906 -1.61,907 16.126,908 -4.394,909 9.893,910 11.741,911 4.661,912 20.013,913 9.447,914 3.347,915 -1.88,916 18.01,917 -4.987,918 11,919 13.078,920 5.029,921 22.381,922 10.51,923 2.637,924 11.97,925 19.904,926 -5.896,927 12.208,928 14.544,929 5.726,930 24.898,931 11.662,932 2.341,933 8.719,934 21.806,935 4.244,936 13.37,937 15.942,938 6.188,939 27.33,940 12.776,941 1.804,942 7.634,943 23.715,944 3.193,945 14.57,946 17.392,947 6.825,948 29.825,949 13.922,950 1.133,951 5.376,952 25.63,953 2.752,954 15.755,955 18.817,956 7.336,957 32.285,958 15.057,959 0.932,960 2.694,961 27.549,962 2.252,963 16.955,964 20.262,965 7.94,966 34.772,967 16.205,968 0.465,969 1.776,970 29.473,971 1.418,972 18.152,973 21.698,974 8.477,975 37.244,976 17.349,977 1664,978 3443,979 10.463,980 17.835,981 26.668,982 28.623,983 28.634,984 26.095,985 25.845,986 31.774,987 6.869,988 79.751,989 23.88,990 5.576,991 5.865,992 6.811,993 5.37,994 5.347,995 6.942,996 3.071,997 19.97,998 5.061,999 9.807,1000 1.569,1001 1.684,1002 1.684,1003 1.535,1004 1.52,1005 1.869,1006 0.404,1007 4.691,1008 1.405,1009 4.032,1010 4.084,1011 4.023,1012 3.819,1013 7.444,1014 3.86,1015 3.587,1016 3.651,1017 3.731,1018 3.35,1019 7.411,1020 3.366,1021 3.319,1022 3.402,1023 3.434,1024 3.107,1025 4.898,1026 3.108,1027 3.244,1028 3.315,1029 3.147,1030 2.993,1031 4.67,1032 3.002,1033 2.876,1034 2.931,1035 2.755,1036 2.597,1037 4.066,1038 2.615,1039 2.791,1040 2.813,1041 2.604,1042 2.458,1043 3.91,1044 2.491,1045 2.462,1046 2.56,1047 2.567,1048 2.21,1049 3.577,1050 2.193,1051 2.199,1052 2.281,1053 2.053,1054 1.974,1055 3.164,1056 1.965,1057 0.272,1058 0.234,1059 0.414,1060 0.253,1061 0.197,1062 4.63,1063 0.25,1064 3.976,1065 0.104,1066 7.045,1067 0.704,1068 4.296,1069 0.187,1070 3.347,1071 4.244,1072 1.761,1073 11.97,1074 3.174,1075 1.748,1076 1.705,1077 1.855,1078 1.987,1079 1.108,1080 1.947,1081 1.556,1082 1.488,1083 1.748,1084 1.811,1085 0.866,1086 1.801,1087 1.26,1088 1.166,1089 1.602,1090 1.55,1091 0.658,1092 1.569,1093 1.09,1094 1.028,1095 1.319,1096 1.334,1097 0.475,1098 1.35,1099 1.061,1100 0.979,1101 1.29,1102 1.31,1103 0.278,1104 1.317,1105 0.663,1106 0.628,1107 0.861,1108 1.023,1110 0.961,1111 0.481,1112 0.451,1113 0.734,1114 0.854,1116 0.812,1117 0.249,1118 0.133,1119 0.509,1120 0.589,1122 0.626,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.148,1130 6.862,1131 9.883,1132 3.032,1133 5.631,1136 0.878,1140 2.413,1144 17.45,1145 51.799,1146 89.163,1147 106.872,1148 108.872,1149 114.872,1150 114.872,1151 30.84,1152 6.004,1153 61.82,1154 61.82,1155 11,1156 12.266,1157 3,1158 2.459,1159 25.677,1160 35,1161 41,1162 0.402,1163 114.108,1164 194.87,1165 270.183,1166 2217,1167 3.7,1168 11.87,1169 0.742,1170 0.608,1171 12.37,1172 9.731,1173 7.575,1174 0.446,1175 0.311,1176 4.656,1177 6.752,1178 4.451,1179 3.682,1180 7.928,1181 5.279,1182 6.804,1183 0.272,1184 0.155,1185 7.054,1186 3.883,1187 6.339,1188 0.176,1189 0.075,1190 6.484,1191 2.712,1192 4.979,1193 0.106,1194 0.039,1195 5.165,1196 1.84,1197 3.633,1198 0.066,1199 0.02,1200 3.801,1201 1.118,1202 0.576,1203 52.764,1204 0.309,1205 15.46,1206 1.285,1207 84,1208 320.255,1209 109.286,1210 327.241,1211 425.74,1212 304,1213 103,1214 283.676,1215 125.127,1216 289.288,1217 429.99,1218 268,1219 5.347} {0 CHEMBL24049,1 1.76,2 6.063,3 1.092,4 1.193,5 56.914,6 8.394,7 0.294,8 3.396,9 3.517,10 3.06,11 2.809,12 4.676,13 2.857,14 3.91,15 4.112,16 3.445,17 3.168,18 5.132,19 3.214,20 4.004,21 4.124,22 3.587,23 3.328,24 5.427,25 3.37,26 4.25,27 4.433,28 3.505,29 3.295,30 5.82,31 3.328,32 3.947,33 4.144,34 3.011,35 3.086,36 5.282,37 3.032,38 3.846,39 4.123,40 2.437,41 2.806,42 5.039,43 2.649,44 3.408,45 3.734,46 1.868,47 2.293,48 4.566,49 2.116,50 2.38,51 2.571,52 1.128,53 1.585,54 4.072,55 1.407,56 0.083,57 0.425,58 4.144,59 1.686,60 9.675,61 2.237,62 0.383,63 0.632,64 9.744,65 2.487,66 16.443,67 3.569,68 0.226,69 0.699,70 8.274,71 3.632,72 23.746,73 4.415,74 0.72,75 0.716,76 14.856,77 3.513,78 103.324,79 4.345,80 0.332,81 0.555,82 10.008,83 3.145,84 29.569,85 4.109,86 0.312,87 0.407,88 11.888,89 3.525,90 58.369,91 5.158,92 0.234,93 0.227,94 8.986,95 2.368,96 38.83,97 3.658,98 0.029,99 0.094,100 1.857,101 0.926,102 22.475,103 1.234,104 28,105 25,106 0.348,107 0.7,108 0.78,109 0.795,110 0.84,111 0.84,112 2.856,113 0.815,114 -2.5,115 -2.53,116 -2.47,117 38.5,122 2,123 1,128 1,129 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 1,182 1,183 4,193 3,203 1,212 1,231 230,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.497,238 17.814,239 5.949,240 10.802,241 8.248,242 8.248,243 8.248,244 8.248,245 8.248,246 6.522,247 25.681,248 2.654,249 8.733,250 2.94,251 1.154,252 0.75,253 0.673,254 0.443,255 0.443,256 3.492,261 1,262 196,263 2.345,265 30.097,266 36.026,269 55.906,270 0.953,271 23.385,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 36,282 97,283 4.631,284 3.977,285 7.045,286 4.296,287 3.347,288 4.246,289 1.761,290 11.97,291 3.174,292 3.931,293 3.407,294 6.169,295 3.575,296 2.637,297 3.198,298 1.083,299 8.719,300 2.468,301 3.58,302 3.003,303 5.864,304 3.288,305 2.341,306 2.754,307 0.769,308 7.634,309 2.208,310 3.482,311 2.553,312 5.024,313 2.775,314 1.804,315 2.336,316 0.526,317 5.376,318 1.736,319 3.025,320 1.862,321 3.974,322 2.081,323 1.133,324 1.716,325 0.064,326 2.694,327 1.071,328 2.415,329 1.663,330 3.62,331 1.879,332 0.932,333 1.34,335 1.776,336 0.878,337 1.928,338 1.098,339 3.208,340 1.468,341 0.465,342 0.628,343 1.158,344 0.459,345 1.762,346 1.03,347 2.844,348 1.285,349 0.262,350 0.344,351 0.549,352 0.262,353 1.216,354 -0.088,355 2,356 0.577,357 -0.39,358 -0.573,359 -0.671,360 -0.374,361 0.398,362 -0.442,363 2,364 -0.017,365 -1,366 -1.306,367 -2.235,368 -0.958,370 -0.486,371 1.828,372 -0.267,373 -1.26,374 -1.489,376 -3.062,377 -1.251,378 -0.018,379 -0.825,380 1.604,381 -0.453,382 -1.394,383 -1.743,385 -3.705,386 -1.287,387 -0.137,388 -1.079,389 1.35,390 -0.489,391 -1.451,392 -1.983,393 -0.4,394 -4.394,395 -1.408,396 -0.475,397 -1.256,398 1.248,399 -0.658,400 -1.61,401 -2,402 -0.66,403 -4.987,404 -1.566,405 -0.612,406 -1.674,407 1.186,408 -0.946,409 -1.88,410 -2.192,411 -0.769,412 -5.896,413 -1.757,414 7.267,415 0.454,416 0.511,417 0.032,418 21.25,419 1.328,420 9.5,421 0.594,422 11.75,423 0.734,424 9.66,425 0.604,426 17.333,427 0.667,428 15.242,429 0.953,430 4.51,431 0.282,432 3.064,433 0.192,434 0.298,436 0.44,437 0.741,438 1.96,439 0.649,440 1.366,441 0.564,442 1.041,443 0.697,444 0.624,445 0.637,446 0.408,447 0.569,448 0.452,449 0.837,450 1.539,451 0.767,452 1.476,453 0.964,454 1.18,455 1.573,456 0.795,457 1.265,458 0.736,459 1.571,460 0.886,461 1.172,462 1.076,463 1.425,464 1.264,465 0.996,466 1.374,467 0.912,468 0.842,469 1.123,470 1.079,471 0.907,472 1.16,473 0.842,474 0.385,475 0.796,476 0.563,477 0.995,478 0.667,479 0.52,480 1.577,481 1.505,482 2.314,483 1.243,484 2.238,485 3,487 2.667,488 1.75,489 1.597,490 0.553,491 0.183,492 0.059,495 1522,496 5626,497 1.923,498 38.5,500 8,501 1,502 1,507 1.56,508 1.714,509 2.6,510 -0.612,514 1,515 45.773,516 1.76,517 3.547,518 3.95,519 4.027,520 4.258,521 4.258,522 2.149,523 3.875,524 3.969,525 2.647,526 317.644,527 6.73,528 2658.31,530 1,533 122.211,534 1.546,535 3.873,536 0.176,538 0.107,539 0.063,540 0.067,541 0.039,542 0.026,543 0.015,546 0.493,547 0.67,548 1,549 1.274,550 62.055,551 -0.087,552 -0.75,553 0.067,554 -0.367,555 -0.053,556 -0.161,557 0.167,558 0.512,559 0.262,560 0.464,561 0.023,562 0.41,563 0.061,564 -0.414,565 0.011,566 -0.458,567 -0.048,568 -0.286,569 -0.174,570 0.167,571 -0.268,572 0.131,573 -0.098,574 -0.05,575 -0.245,576 -0.077,577 -0.516,578 -0.315,579 -0.093,580 -0.449,581 -0.055,582 -0.091,583 -0.017,584 -0.064,585 0.016,586 -0.041,587 0.048,588 0.239,589 0.447,590 0.465,591 -0.004,592 0.545,593 0.101,594 -0.717,595 -0.603,596 -1.189,597 -0.089,598 -1.121,599 2.066,600 4.878,601 0.563,602 8.547,603 1.027,604 1.141,605 1.271,606 1.615,607 0.662,608 2.89,609 3.258,610 3.611,611 3.871,612 4.025,613 4.078,614 3.97,615 3.829,616 3.466,617 2.773,618 3.669,619 0.658,620 218.24,621 2.89,622 4.443,623 5.333,624 6.244,625 7.157,626 8.076,627 8.995,628 9.916,629 10.836,630 11.758,631 15.4,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 26,649 8,651 17,652 27,653 10,654 3,657 1,659 2,660 3,662 1,669 2,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,702 1,703 1,711 1,713 2,715 16,719 1,723 2,725 1,726 1,727 1,729 7.7,732 2,735 9.333,736 5.55,737 3.611,738 1.35,739 1.429,740 1.238,741 0.942,742 2.448,743 7.433,744 3.199,745 3.72,746 4.296,747 4.839,748 5.121,749 5.44,750 5.556,751 5.586,752 5.533,753 4.913,754 1,755 28,756 5.881,758 2.502,759 8.229,760 10.623,762 8.29,764 2.729,765 43.667,766 0.001,769 117.711,770 81.934,771 24.933,773 50.29,775 81.934,776 168.001,777 24.933,778 16.793,779 8.354,781 92.17,782 1.899,783 61.483,784 94.169,786 117.711,787 106.867,788 50.29,790 117.711,791 50.29,793 18.872,794 54.179,795 33.816,797 117.711,798 75.223,799 81.934,801 117.711,802 16.171,803 33.559,804 17.031,805 90.397,806 117.711,807 75.223,808 81.934,809 0.591,810 0.382,811 0.208,812 0.109,813 13,814 7,815 0.037,816 1,817 1,818 1.222,819 2.625,820 112.085,821 0.222,822 9,823 62,825 10.717,826 3.655,827 1.427,829 73.324,830 1.464,831 4.017,833 0.7,834 1.553,836 274.868,837 23.5,840 23.485,842 -0.783,843 26.713,844 29.658,845 0.375,846 0.755,847 0.84,848 0.857,849 0.906,850 0.906,851 4.48,852 0.262,853 5.371,854 1.158,855 3.932,856 4.401,857 2.321,858 6.29,859 3.823,860 5.717,861 -0.39,862 7.015,863 0.549,864 3.761,865 4.35,866 1.404,867 7.413,868 3.603,869 7.052,870 -1,871 8.761,872 -0.671,873 5.631,874 6.549,875 2.846,876 10.584,877 5.404,878 8.423,879 -1.26,880 10.563,881 -2.235,882 6.275,883 7.356,884 2.647,885 12.488,886 6.003,887 9.825,888 -1.394,889 12.397,890 -3.062,891 7.671,892 9.05,893 3.675,894 15.213,895 7.334,896 11.25,897 -1.451,898 14.254,899 -3.705,900 8.643,901 10.224,902 3.851,903 17.439,904 8.262,905 12.693,906 -1.61,907 16.126,908 -4.394,909 9.893,910 11.75,911 4.663,912 20.013,913 9.453,914 3.347,915 -1.88,916 18.01,917 -4.987,918 11,919 13.081,920 5.029,921 22.381,922 10.512,923 2.637,924 11.97,925 19.904,926 -5.896,927 12.208,928 14.55,929 5.727,930 24.898,931 11.666,932 2.341,933 8.719,934 21.806,935 4.246,936 13.37,937 15.947,938 6.188,939 27.33,940 12.778,941 1.804,942 7.634,943 23.715,944 3.198,945 14.57,946 17.398,947 6.825,948 29.825,949 13.925,950 1.133,951 5.376,952 25.63,953 2.754,954 15.755,955 18.822,956 7.336,957 32.285,958 15.06,959 0.932,960 2.694,961 27.549,962 2.336,963 16.955,964 20.268,965 7.94,966 34.772,967 16.207,968 0.465,969 1.776,970 29.473,971 1.716,972 18.152,973 21.704,974 8.477,975 37.244,976 17.352,977 1664,978 3265,979 10.463,980 17.216,981 27.389,982 28.639,983 28.634,984 25.952,985 25.845,986 33.124,987 8.407,988 79.751,989 24.512,990 5.577,991 5.864,992 6.811,993 5.37,994 5.347,995 6.949,996 3.071,997 19.97,998 5.062,999 9.807,1000 1.611,1001 1.685,1002 1.684,1003 1.527,1004 1.52,1005 1.948,1006 0.495,1007 4.691,1008 1.442,1009 4.03,1010 4.081,1011 4.008,1012 3.82,1013 7.444,1014 3.862,1015 3.585,1016 3.645,1017 3.518,1018 3.38,1019 7.411,1020 3.398,1021 3.326,1022 3.4,1023 3.234,1024 3.143,1025 5.433,1026 3.165,1027 3.252,1028 3.317,1029 3.135,1030 2.998,1031 4.866,1032 3.011,1033 2.877,1034 2.932,1035 2.729,1036 2.602,1037 4.067,1038 2.619,1039 2.791,1040 2.814,1041 2.571,1042 2.459,1043 3.91,1044 2.491,1045 2.567,1046 2.664,1047 2.383,1048 2.333,1049 3.56,1050 2.329,1051 2.21,1052 2.289,1053 2.025,1054 1.992,1055 3.161,1056 1.992,1057 0.272,1058 0.234,1059 0.414,1060 0.253,1061 0.197,1062 4.631,1063 0.25,1064 3.977,1065 0.104,1066 7.045,1067 0.704,1068 4.296,1069 0.187,1070 3.347,1071 4.246,1072 1.761,1073 11.97,1074 3.174,1075 1.748,1076 1.707,1077 1.847,1078 1.984,1079 0.983,1080 1.941,1081 1.563,1082 1.505,1083 1.734,1084 1.796,1085 0.794,1086 1.778,1087 1.264,1088 1.178,1089 1.601,1090 1.548,1091 0.657,1092 1.568,1093 1.136,1094 1.074,1095 1.324,1096 1.329,1097 0.374,1098 1.332,1099 1.062,1100 0.988,1101 1.293,1102 1.309,1103 0.175,1104 1.316,1105 0.67,1106 0.63,1107 0.941,1108 1.025,1110 0.969,1111 0.545,1112 0.502,1113 0.746,1114 0.888,1116 0.858,1117 0.33,1118 0.247,1119 0.511,1120 0.653,1122 0.655,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.148,1130 6.862,1131 9.883,1132 2.995,1136 0.254,1140 2.362,1142 5.191,1143 2.43,1144 17.096,1145 45.773,1146 92.211,1147 102.702,1148 104.702,1149 110.702,1150 110.702,1151 30.096,1152 6.004,1153 61.82,1154 61.82,1155 11,1156 12.266,1157 3.17,1158 2.907,1159 25.677,1160 35,1161 41,1162 0.402,1163 109.512,1164 191.68,1165 258.97,1166 2217,1168 11.87,1169 0.742,1170 0.56,1171 11.87,1172 8.967,1173 7.575,1174 0.446,1175 0.272,1176 4.489,1177 7.095,1178 4.321,1179 3.629,1180 7.575,1181 4.619,1182 6.804,1183 0.272,1184 0.138,1185 6.804,1186 3.455,1187 6.339,1188 0.176,1189 0.069,1190 6.339,1191 2.479,1192 4.979,1193 0.106,1194 0.034,1195 4.979,1196 1.615,1197 3.633,1198 0.066,1199 0.017,1200 3.633,1201 0.957,1202 0.576,1203 48.875,1204 0.309,1205 15.46,1206 1.285,1207 84,1208 314.052,1209 97.67,1210 299.295,1211 398.42,1212 276,1213 103,1214 289.245,1215 118.947,1216 292.625,1217 430.81,1218 270,1219 5.387} {0 CHEMBL24107,1 1.784,2 4.857,3 -0.234,4 0.055,5 47.875,6 8.093,7 0.333,8 3.326,9 3.458,10 2.954,11 2.696,12 4.531,13 2.746,14 3.858,15 4.064,16 3.346,17 3.071,18 5.058,19 3.106,20 3.984,21 4.165,22 3.452,23 3.153,24 5.323,25 3.205,26 4.07,27 4.226,28 3.363,29 3.112,30 5.685,31 3.154,32 3.957,33 4.181,34 2.644,35 2.872,36 5.261,37 2.781,38 3.522,39 3.823,40 1.661,41 2.376,42 4.443,43 2.147,44 3.021,45 3.423,46 0.592,47 1.705,48 3.45,49 1.34,50 1.844,51 2.277,52 0.042,53 0.626,54 1.946,55 0.348,56 0.094,57 0.381,58 4.378,59 1.403,60 5.509,61 2.223,62 0.36,63 0.559,64 9.653,65 2.41,66 13.97,67 3.856,68 0.316,69 0.584,70 10.625,71 2.957,72 29.045,73 4.411,74 0.607,75 0.542,76 12.168,77 2.85,78 73.822,79 3.929,80 0.487,81 0.402,82 12.3,83 2.835,84 62.336,85 4.18,86 0.27,87 0.232,88 8.903,89 2.113,90 34.562,91 3.513,92 0.148,93 0.105,94 6.354,95 1.304,96 14.23,97 2.557,98 0.046,99 0.018,100 2.087,101 0.385,102 5.835,103 0.802,104 18,105 22,106 0.365,107 0.7,108 0.841,109 0.841,110 0.841,111 0.841,112 2.738,113 0.859,114 -1.56,115 -1.63,116 -1.67,117 33.3,118 1,122 1,123 1,133 1,139 1,140 1,141 1,142 1,152 4,153 1,155 2,161 3,170 2,171 3,174 3,182 1,183 1,198 1,231 106,232 9.268,233 9.268,234 9.268,235 9.268,236 9.268,237 8.498,238 13.007,239 5.164,240 9.596,241 7.247,242 7.247,243 7.247,244 7.247,245 7.247,246 5.914,247 16.305,248 2.263,249 7.689,250 2.801,251 1.167,252 0.48,253 0.48,254 0.48,255 0.48,256 3.365,261 1,262 140,263 2,265 25.633,266 30.106,269 46.822,270 0.612,271 20.822,274 0.83,275 0.83,276 0.8,278 1,279 1,280 0.78,281 32,282 68,283 4.553,284 3.976,285 6.946,286 4.249,287 3.297,288 4.089,289 1.761,290 11.58,291 3.134,292 3.798,293 3.382,294 6.017,295 3.424,296 2.482,297 3.091,298 1.083,299 8.31,300 2.34,301 3.58,302 2.839,303 5.853,304 3.299,305 2.333,306 2.742,307 0.526,308 7.579,309 2.23,310 2.672,311 1.866,312 4.075,313 2.203,314 1.267,315 1.708,316 0.064,317 2.883,318 1.179,319 2.378,320 1.772,321 3.867,322 1.964,323 1,324 1.292,326 2.562,327 0.953,328 2.093,329 1.034,330 3.296,331 1.6,332 0.618,333 0.84,335 1.306,336 0.599,337 1.768,338 0.78,339 3,340 1.369,341 0.401,342 0.503,343 0.868,344 0.385,345 1,346 0.334,347 2.347,348 0.729,349 -0.313,350 -0.381,351 -0.512,352 -0.321,353 0.339,354 -0.437,355 2,356 -0.027,357 -1,358 -1.206,359 -2.381,360 -0.95,361 -0.048,362 -0.767,363 1.539,364 -0.364,365 -1.354,366 -1.677,367 -3.462,368 -1.324,369 -0.091,370 -1.005,371 1.504,372 -0.505,373 -1.475,374 -1.798,376 -4.153,377 -1.436,378 -0.295,379 -1.37,380 1.311,381 -0.677,382 -1.618,383 -2,384 -0.4,385 -4.641,386 -1.533,387 -0.553,388 -1.55,389 1.225,390 -0.767,391 -1.696,392 -2.034,393 -0.66,394 -5.744,395 -1.594,396 -0.751,397 -1.77,398 0.527,399 -1.024,400 -1.943,401 -2.491,402 -1.065,403 -6.194,404 -1.774,405 -0.944,406 -1.886,407 0.494,408 -1.074,409 -2,410 -2.677,411 -1.31,412 -8,413 -1.888,414 6.267,415 0.448,416 0.422,417 0.03,418 18,419 1.286,420 7.5,421 0.536,422 10.5,423 0.75,424 8.632,425 0.617,426 15.933,427 0.664,428 11.717,429 0.837,430 3.684,431 0.263,432 2.98,433 0.213,434 0.266,436 0.447,437 0.766,438 2.04,439 0.688,440 1.426,441 0.53,442 1.073,443 0.57,444 0.823,445 0.626,446 0.651,447 0.537,448 0.632,449 0.901,450 1.242,451 0.677,452 1.125,453 0.885,454 0.868,455 1.479,456 0.999,457 1.269,458 1.054,459 1.627,460 1.109,461 1.577,462 0.887,463 1.598,464 1.139,465 1.656,466 1.363,467 0.955,468 0.791,469 1.301,470 1.068,471 0.96,472 1.266,473 0.266,474 0.432,475 0.685,476 0.646,477 0.104,478 0.749,485 2.5,487 2.444,488 1.556,489 1.312,490 0.222,491 0.056,495 1044,496 3608,497 1.952,498 41.7,500 5,502 1,503 1,505 3,507 1.52,508 1.75,509 2.354,510 -0.027,515 42.82,516 1.784,517 3.418,518 4.105,519 4.105,520 4.105,521 4.105,522 1.531,523 2.842,524 3.784,525 2.341,526 213.021,527 6.358,528 1672.22,530 1,533 110.039,534 1.557,535 3.689,536 0.167,538 0.111,539 0.065,540 0.066,541 0.028,542 0.028,546 0.464,547 0.67,548 1,549 1.06,550 50.542,551 -0.121,552 -0.727,553 0.052,554 -0.321,555 -0.049,556 -0.119,557 0.229,558 0.319,559 0.262,560 0.296,561 0.053,562 0.287,563 0.024,564 -0.153,565 0.216,566 -0.117,567 0.029,568 0.08,569 -0.107,570 0.015,571 -0.326,572 -0.13,573 -0.027,574 -0.267,575 -0.4,576 -0.033,577 -0.602,578 -0.219,579 -0.303,580 -0.439,581 -0.136,582 -0.071,583 -0.249,584 -0.124,585 -0.155,586 -0.213,587 0.275,588 0.078,589 0.498,590 0.243,591 0.204,592 0.416,593 0.563,594 0.244,595 1.353,596 0.866,597 0.377,598 1.273,599 2.008,600 4.661,601 0.643,602 6.061,603 1.03,604 1.152,605 0.33,606 0.109,607 0.634,608 2.773,609 3.135,610 3.497,611 3.738,612 3.807,613 3.807,614 3.638,615 3.434,616 2.773,617 1.946,618 3.164,619 0.629,620 194.22,621 2.773,622 4.317,623 5.209,624 6.116,625 7.022,626 7.932,627 8.841,628 9.751,629 10.661,630 11.572,631 16.7,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 24,649 7,651 15,652 25,653 8,654 3,657 1,659 2,660 3,662 1,663 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 14,719 1,723 2,729 8.3,732 2,735 8,736 5.017,737 3.167,738 1.471,739 1.201,740 1.21,741 0.951,742 2.039,743 6.914,744 3.02,745 3.562,746 4.149,747 4.643,748 4.787,749 5.043,750 5.048,751 5.099,752 4.766,753 3.841,754 0.5,755 24,756 5.171,757 0.002,758 2.221,759 8.19,760 9.416,761 0.001,762 7.424,763 -0.001,764 2.69,765 37.667,766 0.003,769 105.94,770 42.011,771 39.82,773 50.29,775 42.011,776 156.23,777 39.82,778 17.222,779 8.354,781 92.17,782 21.87,783 4.276,784 94.169,786 105.94,787 81.831,788 50.29,790 70.627,791 85.603,793 47.668,794 17.377,795 16.786,797 105.94,798 90.11,799 42.011,801 105.94,802 16.171,803 32.089,804 16.786,805 67.075,806 105.94,807 90.11,808 42.011,809 0.592,810 0.396,811 0.216,812 0.096,813 12,814 6,815 0.04,816 1,817 1,818 1.222,819 2.452,820 92.992,821 0.222,822 9,823 53.303,825 9.214,826 3.098,827 1.165,829 73.324,830 1.408,831 3.88,832 2.759,833 0.763,835 16.786,836 238.06,837 19.5,840 23.271,842 -0.666,843 24.713,844 27.658,845 0.389,846 0.746,847 0.895,848 0.895,849 0.895,850 0.895,851 4.28,852 -0.313,853 5.242,854 0.868,855 3.807,856 4.241,857 2.197,858 6.155,859 3.701,860 5.493,861 -1,862 6.882,863 -0.512,864 3.611,865 4.159,866 1.404,867 7.273,868 3.476,869 6.821,870 -1.354,871 8.626,872 -2.381,873 5.501,874 6.37,875 2.804,876 10.427,877 5.287,878 8.19,879 -1.475,880 10.424,881 -3.462,882 6.133,883 7.143,884 2.647,885 12.306,886 5.888,887 9.594,888 -1.618,889 12.255,890 -4.153,891 7.53,892 8.826,893 3.665,894 15.01,895 7.215,896 11.021,897 -1.696,898 14.108,899 -4.641,900 8.491,901 9.956,902 3.851,903 17.196,904 8.139,905 12.465,906 -1.943,907 15.974,908 -5.744,909 9.735,910 11.458,911 4.661,912 19.749,913 9.322,914 3.297,915 -2,916 17.851,917 -6.194,918 10.83,919 12.744,920 5.029,921 22.074,922 10.374,923 2.482,924 11.58,925 19.737,926 -8,927 12.03,928 14.182,929 5.726,930 24.569,931 11.518,932 2.333,933 8.31,934 21.629,935 4.089,936 13.18,937 15.535,938 6.188,939 26.959,940 12.621,941 1.267,942 7.579,943 23.527,944 3.091,945 14.369,946 16.952,947 6.825,948 29.429,949 13.758,950 1,951 2.883,952 25.43,953 2.742,954 15.542,955 18.335,956 7.336,957 31.85,958 14.882,959 0.618,960 2.562,961 27.337,962 1.708,963 16.73,964 19.745,965 7.94,966 34.308,967 16.019,968 0.401,969 1.306,970 29.248,971 1.292,972 17.914,973 21.141,974 8.477,975 36.744,976 17.153,977 1146,978 2205,979 9.364,980 15.216,981 23.486,982 24.58,983 25.039,984 22.778,985 22.798,986 28.531,987 6.869,988 70.176,989 21.64,990 5.497,991 5.862,992 6.452,993 5.323,994 5.297,995 6.766,996 3.071,997 19.58,998 5.022,999 7.763,1000 1.566,1001 1.639,1002 1.669,1003 1.519,1004 1.52,1005 1.902,1006 0.458,1007 4.678,1008 1.443,1009 4.004,1010 4.058,1011 3.977,1012 3.78,1013 7.444,1014 3.824,1015 3.571,1016 3.648,1017 3.477,1018 3.337,1019 7.411,1020 3.351,1021 3.324,1022 3.41,1023 3.182,1024 3.058,1025 4.945,1026 3.075,1027 3.113,1028 3.167,1029 2.974,1030 2.832,1031 4.12,1032 2.863,1033 2.825,1034 2.843,1035 2.669,1036 2.499,1037 3.983,1038 2.542,1039 2.375,1040 2.51,1041 2.139,1042 2.117,1043 3.533,1044 2.105,1045 2.262,1046 2.367,1047 2.052,1048 1.944,1049 3.32,1050 1.935,1051 2.098,1052 2.177,1053 1.907,1054 1.667,1055 2.952,1056 1.736,1057 0.304,1058 0.265,1059 0.463,1060 0.283,1061 0.22,1062 4.553,1063 0.273,1064 3.976,1065 0.117,1066 6.946,1067 0.772,1068 4.249,1069 0.209,1070 3.297,1071 4.089,1072 1.761,1073 11.58,1074 3.134,1075 1.734,1076 1.69,1077 1.878,1078 1.984,1079 1.041,1080 1.944,1081 1.449,1082 1.362,1083 1.721,1084 1.718,1085 0.82,1086 1.722,1087 1.31,1088 1.236,1089 1.483,1090 1.586,1091 0.492,1092 1.574,1093 1.135,1094 1.051,1095 1.421,1096 1.414,1097 0.372,1098 1.424,1099 0.821,1100 0.777,1101 1.046,1102 1.149,1103 0.155,1104 1.102,1105 0.498,1106 0.469,1107 0.754,1108 0.883,1110 0.836,1111 0.3,1112 0.182,1113 0.577,1114 0.695,1116 0.698,1119 0.169,1120 0.058,1122 0.119,1123 3.434,1125 4.779,1126 2.398,1127 6.347,1128 4.595,1129 8.025,1130 6.629,1131 9.759,1132 3.357,1136 0.355,1140 2.538,1144 15.096,1145 42.82,1146 82.039,1147 98.529,1148 98.529,1149 98.529,1150 98.529,1151 23.769,1152 5.714,1153 72.68,1154 72.68,1155 11,1156 12.086,1157 3,1158 2.459,1159 21.033,1160 30,1161 22,1162 0.438,1163 96.182,1164 162.36,1165 226.445,1166 1519,1168 10.293,1169 0.735,1170 0.567,1171 10.293,1172 7.943,1173 6.664,1174 0.444,1175 0.286,1176 4.176,1177 6.21,1178 4.055,1179 3.392,1180 6.664,1181 4.294,1182 5.908,1183 0.269,1184 0.136,1185 5.908,1186 2.991,1187 5.627,1188 0.176,1189 0.07,1190 5.627,1191 2.236,1192 4.643,1193 0.113,1194 0.036,1195 4.643,1196 1.47,1197 2.982,1198 0.068,1199 0.018,1200 2.982,1201 0.804,1202 0.612,1203 43.206,1204 0.327,1205 13.433,1206 1.452,1207 74,1208 278.739,1209 87.309,1210 261.212,1211 350.76,1212 242,1213 91,1214 258.399,1215 105.781,1216 256.847,1217 382.44,1218 240,1219 5.301} {0 CHEMBL24289,1 1.727,2 6.063,3 0.517,4 0.267,5 58.496,6 7.866,7 0.294,8 3.457,9 3.587,10 3.068,11 2.854,12 4.669,13 2.886,14 3.982,15 4.192,16 3.454,17 3.221,18 5.152,19 3.248,20 4.101,21 4.255,22 3.593,23 3.37,24 5.434,25 3.395,26 4.316,27 4.512,28 3.513,29 3.342,30 5.821,31 3.359,32 4.052,33 4.261,34 3.033,35 3.17,36 5.272,37 3.094,38 3.991,39 4.274,40 2.487,41 2.909,42 5.068,43 2.742,44 3.597,45 3.913,46 1.951,47 2.459,48 4.612,49 2.27,50 3.006,51 3.293,52 1.252,53 1.955,54 4.164,55 1.701,56 0.068,57 0.444,58 5.248,59 1.837,60 6.732,61 2.765,62 0.386,63 0.656,64 11.254,65 2.804,66 13.963,67 4.405,68 0.235,69 0.729,70 11.348,71 3.989,72 19.253,73 5.544,74 0.719,75 0.731,76 17.048,77 3.665,78 97.852,79 5.365,80 0.329,81 0.59,82 12.185,83 3.512,84 24.515,85 5.169,86 0.341,87 0.442,88 13.657,89 3.634,90 53.188,91 5.644,92 0.259,93 0.264,94 9.967,95 2.532,96 33.777,97 3.987,98 0.089,99 0.145,100 4.939,101 1.649,102 22.091,103 2.494,104 28,105 25,106 0.338,107 0.675,108 0.791,109 0.805,110 0.847,111 0.847,112 2.856,113 0.846,114 -2.5,115 -2.53,116 -2.47,117 35.7,122 2,123 1,126 1,127 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 1,182 1,183 4,193 3,203 1,212 1,231 230,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.575,238 18.595,239 5.949,240 10.802,241 8.248,242 8.248,243 8.248,244 8.248,245 8.248,246 6.638,247 28.152,248 2.654,249 8.733,250 3.08,251 1.357,252 0.768,253 0.697,254 0.482,255 0.482,256 3.492,261 1,262 196,263 2.345,265 30.097,266 36.026,269 55.906,270 0.953,271 22.425,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 36,282 97,283 4.63,284 3.976,285 7.045,286 4.296,287 3.347,288 4.245,289 1.761,290 11.97,291 3.174,292 3.922,293 3.404,294 6.169,295 3.575,296 2.637,297 3.195,298 1.083,299 8.719,300 2.468,301 3.577,302 2.965,303 5.864,304 3.288,305 2.341,306 2.753,307 0.526,308 7.634,309 2.208,310 3.155,311 2.382,312 5.024,313 2.775,314 1.804,315 2.284,316 0.522,317 5.376,318 1.736,319 2.63,320 1.664,321 3.974,322 2.081,323 1.133,324 1.526,325 0.064,326 2.694,327 1.071,328 2.395,329 1.586,330 3.62,331 1.879,332 0.932,333 1.292,335 1.776,336 0.878,337 1.922,338 1.038,339 3.208,340 1.468,341 0.465,342 0.627,343 1.158,344 0.459,345 1.75,346 1.019,347 2.844,348 1.285,349 0.262,350 0.342,351 0.549,352 0.262,353 1.061,354 -0.09,355 2,356 0.577,357 -0.39,358 -0.533,359 -0.671,360 -0.374,361 0.363,362 -0.444,363 2,364 -0.017,365 -1,366 -1.251,367 -2.235,368 -0.958,370 -0.549,371 1.828,372 -0.267,373 -1.26,374 -1.484,376 -3.062,377 -1.251,378 -0.027,379 -0.894,380 1.604,381 -0.453,382 -1.394,383 -1.699,385 -3.705,386 -1.287,387 -0.141,388 -1.118,389 1.35,390 -0.489,391 -1.451,392 -1.9,393 -0.4,394 -4.394,395 -1.408,396 -0.475,397 -1.3,398 1.248,399 -0.658,400 -1.61,401 -2,402 -0.522,403 -4.987,404 -1.566,405 -0.629,406 -1.695,407 1.186,408 -0.946,409 -1.88,410 -2.132,411 -0.66,412 -5.896,413 -1.757,414 7.267,415 0.454,416 0.511,417 0.032,418 20.25,419 1.266,420 8.5,421 0.531,422 11.75,423 0.734,424 10.128,425 0.633,426 17.933,427 0.64,428 14.773,429 0.923,430 4.346,431 0.272,432 3.228,433 0.202,434 0.298,436 0.44,437 0.725,438 2.038,439 0.698,440 1.445,441 0.564,442 1.113,443 0.672,444 0.706,445 0.667,446 0.523,447 0.564,448 0.553,449 0.811,450 1.484,451 0.735,452 1.376,453 0.9,454 1.093,455 1.541,456 0.83,457 1.22,458 0.762,459 1.582,460 0.889,461 1.125,462 1.137,463 1.392,464 1.314,465 0.964,466 1.392,467 1.042,468 0.848,469 1.191,470 1.054,471 1.036,472 1.153,473 1.004,474 0.492,475 0.986,476 0.692,477 1.076,478 0.828,479 0.581,480 1.081,481 1.121,482 1.524,483 0.846,484 1.498,485 3,487 2.667,488 1.75,489 1.597,490 0.553,491 0.183,492 0.059,495 1522,496 5079,497 1.923,498 42.9,500 11,502 1,507 1.56,508 1.714,509 2.6,510 -0.612,512 1,514 1,515 48.367,516 1.727,517 3.45,518 4.039,519 4.111,520 4.325,521 4.325,522 2.149,523 3.875,524 3.969,525 2.647,526 317.644,527 6.73,528 2658.31,530 1,533 134.606,534 1.546,535 3.873,536 0.176,538 0.107,539 0.063,540 0.067,541 0.039,542 0.026,543 0.015,546 0.493,547 0.67,548 1,549 1.274,550 62.055,551 -0.066,552 -0.757,553 0.071,554 -0.361,555 -0.068,556 -0.155,557 0.194,558 0.45,559 0.247,560 0.388,561 0.033,562 0.343,563 0.091,564 -0.341,565 0.121,566 -0.317,567 0.014,568 -0.129,569 -0.131,570 0.151,571 -0.213,572 0.107,573 -0.043,574 -0.043,575 -0.217,576 -0.102,577 -0.484,578 -0.341,579 -0.096,580 -0.45,581 -0.144,582 -0.062,583 -0.163,584 -0.097,585 -0.08,586 -0.13,587 -0.082,588 0.184,589 0.109,590 0.256,591 -0.074,592 0.233,593 0.111,594 -0.362,595 -0.111,596 -0.471,597 0.004,598 -0.377,599 2.04,600 4.913,601 0.563,602 8.547,603 1.021,604 1.145,605 1.271,606 1.615,607 0.642,608 2.89,609 3.258,610 3.611,611 3.871,612 4.025,613 4.078,614 3.97,615 3.829,616 3.466,617 2.773,618 3.669,619 0.629,620 220.26,621 2.89,622 4.443,623 5.333,624 6.244,625 7.157,626 8.076,627 8.995,628 9.916,629 10.836,630 11.758,631 14.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 28,649 8,651 17,652 29,653 10,654 3,657 1,659 2,660 3,662 1,670 7,671 3,673 3,674 1,676 2,677 1,678 2,680 1,681 12,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,707 1,708 1,711 1,713 2,715 16,719 1,723 2,729 7.1,732 2,735 9.333,736 5.8,737 3.611,738 1.475,739 1.33,740 1.222,741 0.939,742 2.558,743 7.334,744 3.157,745 3.695,746 4.282,747 4.815,748 5.085,749 5.38,750 5.471,751 5.496,752 5.394,753 4.722,754 1,755 28,756 5.899,758 2.502,759 8.135,760 10.775,762 8.443,764 2.635,765 42.167,766 0.001,769 141.253,770 66.825,771 24.933,773 50.29,775 66.825,776 191.543,777 24.933,778 16.793,779 24.121,780 9.476,781 92.17,782 1.899,783 9.36,784 129.482,786 141.253,787 91.759,788 50.29,790 141.253,791 50.29,793 18.872,794 46.625,795 26.262,797 141.253,798 75.223,799 66.825,801 141.253,802 16.171,803 43.035,805 82.842,806 141.253,807 75.223,808 66.825,809 0.591,810 0.382,811 0.208,812 0.109,813 13,814 7,815 0.069,816 2,817 1,818 1.222,819 2.625,820 112.085,821 0.222,822 9,823 64,825 10.893,826 3.757,827 1.478,829 73.324,830 1.535,831 4.064,833 0.819,834 1.671,836 283.302,837 22.5,838 3.608,840 23.54,841 1.672,842 -0.709,843 28.596,844 32.073,845 0.359,846 0.718,847 0.84,848 0.855,849 0.9,850 0.9,851 4.422,852 0.262,853 5.371,854 1.158,855 3.932,856 4.376,857 2.256,858 6.29,859 3.823,860 5.641,861 -0.39,862 7.015,863 0.549,864 3.761,865 4.35,866 1.404,867 7.413,868 3.603,869 6.972,870 -1,871 8.761,872 -0.671,873 5.631,874 6.529,875 2.813,876 10.584,877 5.404,878 8.343,879 -1.26,880 10.563,881 -2.235,882 6.275,883 7.356,884 2.647,885 12.488,886 6.003,887 9.751,888 -1.394,889 12.397,890 -3.062,891 7.671,892 9.039,893 3.666,894 15.213,895 7.334,896 11.184,897 -1.451,898 14.254,899 -3.705,900 8.643,901 10.223,902 3.851,903 17.439,904 8.262,905 12.636,906 -1.61,907 16.126,908 -4.394,909 9.893,910 11.745,911 4.661,912 20.013,913 9.453,914 3.347,915 -1.88,916 18.01,917 -4.987,918 11,919 13.079,920 5.029,921 22.381,922 10.512,923 2.637,924 11.97,925 19.904,926 -5.896,927 12.208,928 14.547,929 5.726,930 24.898,931 11.666,932 2.341,933 8.719,934 21.806,935 4.245,936 13.37,937 15.945,938 6.188,939 27.33,940 12.778,941 1.804,942 7.634,943 23.715,944 3.195,945 14.57,946 17.395,947 6.825,948 29.825,949 13.925,950 1.133,951 5.376,952 25.63,953 2.753,954 15.755,955 18.819,956 7.336,957 32.285,958 15.06,959 0.932,960 2.694,961 27.549,962 2.284,963 16.955,964 20.265,965 7.94,966 34.772,967 16.207,968 0.465,969 1.776,970 29.473,971 1.526,972 18.152,973 21.701,974 8.477,975 37.244,976 17.352,977 1664,978 3119,979 10.463,980 17.977,981 26.787,982 28.276,983 28.634,984 25.952,985 25.845,986 32.529,987 7.912,988 79.751,989 24.512,990 5.576,991 5.864,992 6.811,993 5.37,994 5.347,995 6.945,996 3.071,997 19.97,998 5.062,999 9.807,1000 1.576,1001 1.663,1002 1.684,1003 1.527,1004 1.52,1005 1.913,1006 0.465,1007 4.691,1008 1.442,1009 4.033,1010 4.085,1011 4.008,1012 3.823,1013 7.444,1014 3.864,1015 3.609,1016 3.671,1017 3.523,1018 3.414,1019 7.411,1020 3.421,1021 3.386,1022 3.457,1023 3.263,1024 3.168,1025 4.905,1026 3.192,1027 3.27,1028 3.356,1029 3.139,1030 3,1031 4.666,1032 3.013,1033 2.881,1034 2.937,1035 2.732,1036 2.607,1037 4.065,1038 2.623,1039 2.791,1040 2.822,1041 2.571,1042 2.462,1043 3.908,1044 2.491,1045 2.671,1046 2.772,1047 2.441,1048 2.413,1049 3.544,1050 2.405,1051 2.217,1052 2.295,1053 2.034,1054 2.002,1055 3.161,1056 2.003,1057 0.272,1058 0.234,1059 0.414,1060 0.253,1061 0.197,1062 4.63,1063 0.25,1064 3.976,1065 0.104,1066 7.045,1067 0.704,1068 4.296,1069 0.187,1070 3.347,1071 4.245,1072 1.761,1073 11.97,1074 3.174,1075 1.759,1076 1.714,1077 1.891,1078 1.99,1079 1.031,1080 1.952,1081 1.602,1082 1.541,1083 1.784,1084 1.833,1085 0.837,1086 1.824,1087 1.285,1088 1.204,1089 1.603,1090 1.561,1091 0.658,1092 1.576,1093 1.2,1094 1.111,1095 1.449,1096 1.448,1097 0.434,1098 1.462,1099 1.063,1100 0.99,1101 1.301,1102 1.315,1103 0.265,1104 1.318,1105 0.689,1106 0.634,1107 1.045,1108 1.036,1109 0.041,1110 1.017,1111 0.603,1112 0.551,1113 0.752,1114 0.955,1116 0.913,1117 0.365,1118 0.301,1119 0.515,1120 0.703,1122 0.676,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.148,1130 6.862,1131 9.883,1132 3.046,1136 0.49,1140 2.43,1144 17.622,1145 48.367,1146 96.606,1147 113.096,1148 115.096,1149 121.096,1150 121.096,1151 29.511,1152 6.004,1153 61.82,1154 61.82,1155 11,1156 12.266,1157 3.17,1158 2.7,1159 25.677,1160 35,1161 41,1162 0.402,1163 112.44,1164 194.32,1165 266.113,1166 2217,1168 11.87,1169 0.742,1170 0.573,1171 11.87,1172 9.174,1173 7.575,1174 0.446,1175 0.282,1176 4.663,1177 7.095,1178 4.491,1179 3.783,1180 7.575,1181 4.793,1182 6.804,1183 0.272,1184 0.143,1185 6.804,1186 3.564,1187 6.339,1188 0.176,1189 0.071,1190 6.339,1191 2.543,1192 4.979,1193 0.106,1194 0.036,1195 4.979,1196 1.674,1197 3.633,1198 0.066,1199 0.018,1200 3.633,1201 1,1202 0.576,1203 48.875,1204 0.309,1205 15.46,1206 1.285,1207 84,1208 302.052,1209 97.67,1210 285.565,1211 382.89,1212 264,1213 103,1214 281.245,1215 118.947,1216 283.165,1217 419.21,1218 262,1219 5} {0 CHEMBL24444,1 1.641,2 6.895,3 2.284,4 5.217,5 70.658,6 7.438,7 0.25,8 3.65,9 3.783,10 3.213,11 3.085,12 4.82,13 3.09,14 4.203,15 4.418,16 3.594,17 3.463,18 5.291,19 3.454,20 4.389,21 4.57,22 3.732,23 3.634,24 5.594,25 3.612,26 4.62,27 4.864,28 3.749,29 3.635,30 5.959,31 3.623,32 4.344,33 4.522,34 3.551,35 3.56,36 5.639,37 3.526,38 4.451,39 4.689,40 3.216,41 3.502,42 5.623,43 3.394,44 4.274,45 4.552,46 2.722,47 3.272,48 5.319,49 3.074,50 3.985,51 4.315,52 2.052,53 2.803,54 5.056,55 2.538,56 0.036,57 0.54,58 7.109,59 2.596,60 9.266,61 3.836,62 0.379,63 0.825,64 14.611,65 4.145,66 21.038,67 6.412,68 0.208,69 0.96,70 16.757,71 5.752,72 25.729,73 8.329,74 0.769,75 1.009,76 24.808,77 5.568,78 109.175,79 8.757,80 0.31,81 0.889,82 16.369,83 4.863,84 39.523,85 7.057,86 0.451,87 0.849,88 20.2,89 5.454,90 79.65,91 8.119,92 0.284,93 0.646,94 17.35,95 5.554,96 44.892,97 8.27,98 0.27,99 0.395,100 14.314,101 4.312,102 69.46,103 6.543,104 45,105 29,106 0.303,107 0.635,108 0.809,109 0.809,110 0.809,111 0.809,112 3.012,113 0.908,114 -3.35,115 -3.33,116 -3.19,117 37.1,118 2,120 1,122 1,123 2,128 1,129 1,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 2,158 1,161 3,162 3,170 5,171 4,182 1,183 11,193 6,203 3,210 1,212 1,219 3,229 2,231 363,232 12.336,233 12.336,234 12.336,235 12.336,236 12.336,237 11.359,238 19.395,239 7.147,240 12.655,241 9.768,242 9.768,243 9.768,244 9.768,245 9.768,246 8.056,247 27.448,248 3.251,249 10.263,250 3.489,251 1.694,252 0.75,253 0.75,254 0.75,255 0.75,256 3.656,260 1,261 1,262 262,263 3.082,265 37.736,266 46.305,269 70.976,270 1.069,271 25.504,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 42,282 131,283 4.639,284 3.985,285 7.072,286 4.311,287 3.362,288 4.249,289 1.761,290 12.123,291 3.186,292 3.947,293 3.416,294 6.219,295 3.608,296 2.667,297 3.213,298 1.083,299 9,300 2.507,301 3.634,302 3.019,303 5.934,304 3.398,305 2.446,306 2.796,307 0.769,308 7.932,309 2.321,310 3.485,311 2.606,312 5.028,313 3.003,314 2.016,315 2.336,316 0.526,317 5.425,318 1.986,319 3.113,320 2.185,321 4.655,322 2.775,323 1.803,324 2.123,325 0.064,326 4.973,327 1.735,328 3.012,329 1.779,330 3.976,331 2.079,332 1.13,333 1.707,335 2.729,336 1.07,337 2.408,338 1.663,339 3.669,340 1.88,341 0.933,342 1.333,343 1.78,344 0.88,345 1.935,346 1.089,347 3.209,348 1.517,349 0.517,350 0.674,351 1.363,352 0.51,353 1.768,354 1.03,355 2.888,356 1.3,357 0.278,358 0.364,359 0.595,360 0.278,361 1.231,362 -0.039,363 2.362,364 0.626,365 -0.344,366 -0.47,367 -0.621,368 -0.331,369 0.521,370 -0.276,371 2,372 0.255,373 -0.725,374 -0.898,376 -1.789,377 -0.702,378 0.268,379 -0.486,380 2,382 -1,383 -1,385 -2,386 -1,388 -0.794,389 1.766,390 -0.093,391 -1.112,392 -1.443,394 -2.629,395 -1.111,396 -0.016,397 -0.907,398 1.565,399 -0.373,400 -1.317,401 -1.613,403 -3.359,404 -1.254,405 -0.136,406 -1,407 1.302,408 -0.471,409 -1.448,410 -1.915,412 -4.345,413 -1.373,414 8.767,415 0.461,416 0.618,417 0.033,418 22.75,419 1.197,420 9.5,421 0.5,422 13.25,423 0.697,424 15.164,425 0.798,426 21.233,427 0.607,428 16.879,429 0.888,430 4.454,431 0.234,432 4.514,433 0.238,434 0.304,436 0.422,437 0.708,438 1.881,439 0.759,440 1.381,441 0.559,442 1.118,443 0.622,444 0.832,445 0.705,446 0.694,447 0.518,448 0.693,449 0.755,450 1.487,451 0.827,452 1.378,453 0.837,454 1.16,455 1.358,456 0.682,457 0.908,458 0.543,459 1.284,460 0.612,461 1.326,462 1.302,463 1.259,464 1.254,465 1.154,466 1.236,467 1.509,468 0.91,469 1.422,470 1.027,471 1.351,472 1.177,473 0.908,474 0.911,475 1.209,476 1.204,477 0.902,478 1.265,479 0.895,480 0.622,481 0.904,482 0.832,483 1.236,484 0.896,485 4,487 2.667,488 1.875,489 1.957,490 0.948,491 0.496,492 0.122,493 0.049,495 2447,496 7383,497 1.906,498 45.7,499 6,500 7,501 1,502 1,505 1,507 1.613,508 1.701,509 2.77,510 -0.672,512 1,513 1,514 1,515 57.419,516 1.641,517 3.435,518 4.379,519 4.379,520 4.379,521 4.379,522 2.275,523 3.537,524 4.214,525 2.871,526 490.905,527 7.233,528 4679.85,529 1,530 1,532 1,533 179.525,534 1.557,535 4.121,536 0.2,538 0.092,539 0.059,540 0.061,541 0.036,542 0.029,543 0.014,544 0.012,546 0.503,547 0.67,548 1,549 1.432,550 79.755,551 -0.031,552 -0.602,553 0.066,554 -0.278,555 -0.031,556 -0.121,557 0.252,558 0.318,559 0.233,560 0.255,561 0.066,562 0.24,563 0.13,564 -0.385,565 0.079,566 -0.335,567 0.008,568 -0.173,569 0.018,570 0.263,571 0.146,572 0.323,573 0.068,574 0.277,575 -0.226,576 -0.176,577 -0.332,578 -0.265,579 -0.073,580 -0.307,581 -0.374,582 0.055,583 -0.435,584 -0.093,585 -0.188,586 -0.245,587 -0.098,588 -0.063,589 -0.238,590 -0.209,591 -0.04,592 -0.243,593 0.004,594 0.024,595 0.146,596 0.139,597 -0.049,598 0.157,599 2.034,600 5.164,601 0.474,602 12.742,603 1.01,604 1.14,605 2.115,606 4.474,607 0.643,608 3.045,609 3.401,610 3.714,611 4.025,612 4.234,613 4.331,614 4.317,615 4.234,616 3.951,617 3.497,618 4.228,619 0.619,620 260.33,621 3.045,622 4.595,623 5.468,624 6.382,625 7.288,626 8.211,627 9.129,628 10.055,629 10.978,630 11.905,631 11.4,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 35,649 8,651 20,652 36,653 13,654 3,657 1,659 2,660 3,662 1,663 2,669 2,670 5,671 6,672 1,673 2,676 2,678 2,679 1,680 1,681 16,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,702 1,703 1,711 1,713 3,715 19,719 2,722 1,723 2,725 1,726 1,727 1,729 5.7,732 2,735 11.167,736 7.383,737 4.278,738 2.083,739 1.375,740 1.217,741 0.922,742 3.634,743 7.705,744 3.314,745 3.812,746 4.349,747 4.915,748 5.234,749 5.572,750 5.748,751 5.812,752 5.814,753 5.429,754 0.8,755 32,756 7.033,758 2.965,759 8.053,760 13.013,762 10.299,764 2.553,765 48.5,769 188.338,770 93.294,771 24.933,773 50.29,775 93.294,776 238.627,777 24.933,778 26.047,779 10.46,781 92.17,782 1.899,783 61.483,784 164.795,786 188.338,787 118.227,788 50.29,790 176.567,791 62.061,793 38.628,794 45.783,795 33.816,797 188.338,798 75.223,799 93.294,801 188.338,802 18.277,803 42.813,804 17.031,805 90.397,806 188.338,807 75.223,808 93.294,809 0.583,810 0.351,811 0.204,812 0.12,813 14,814 8,815 0.083,816 3,817 1,818 1.222,819 2.878,820 142.013,821 0.222,822 9,823 78.711,825 13.635,826 5.064,827 2.241,829 73.324,830 1.502,831 4.17,833 0.776,834 1.591,836 356.854,837 26.5,840 24.307,842 -0.718,843 35.363,844 39.903,845 0.32,846 0.67,847 0.854,848 0.854,849 0.854,850 0.854,851 4.598,852 0.517,853 5.501,854 1.78,855 4.078,856 4.494,857 2.321,858 6.405,859 3.98,860 5.82,861 0.278,862 7.128,863 1.363,864 3.892,865 4.425,866 1.404,867 7.509,868 3.754,869 7.144,870 -0.344,871 8.86,872 0.595,873 5.753,874 6.6,875 2.846,876 10.68,877 5.541,878 8.501,879 -0.725,880 10.648,881 -0.621,882 6.365,883 7.387,884 2.647,885 12.588,886 6.11,887 9.892,888 -1,889 12.474,890 -1.789,891 7.765,892 9.076,893 3.675,894 15.313,895 7.441,896 11.308,897 -1.112,898 14.324,899 -2,900 8.717,901 10.242,902 3.851,903 17.553,904 8.345,905 12.744,906 -1.317,907 16.193,908 -2.629,909 9.97,910 11.766,911 4.663,912 20.129,913 9.535,914 3.362,915 -1.448,916 18.075,917 -3.359,918 11.068,919 13.094,920 5.029,921 22.512,922 10.583,923 2.667,924 12.123,925 19.969,926 -4.345,927 12.278,928 14.563,929 5.727,930 25.034,931 11.735,932 2.446,933 9,934 21.872,935 4.249,936 13.437,937 15.959,938 6.188,939 27.479,940 12.843,941 2.016,942 7.932,943 23.782,944 3.213,945 14.639,946 17.409,947 6.825,948 29.983,949 13.989,950 1.803,951 5.425,952 25.698,953 2.796,954 15.826,955 18.833,956 7.336,957 32.455,958 15.123,959 1.13,960 4.973,961 27.62,962 2.336,963 17.028,964 20.28,965 7.94,966 34.952,967 16.272,968 0.933,969 2.729,970 29.546,971 2.123,972 18.227,973 21.716,974 8.477,975 37.437,976 17.417,977 2650,978 4711,979 12.255,980 22.5,981 32.033,982 33.368,983 33.126,984 30.373,985 30.302,986 37.589,987 8.407,988 91.84,989 28.945,990 5.59,991 5.875,992 6.838,993 5.384,994 5.362,995 6.953,996 3.071,997 20.123,998 5.074,999 12.406,1000 1.602,1001 1.668,1002 1.656,1003 1.519,1004 1.515,1005 1.879,1006 0.42,1007 4.592,1008 1.447,1009 4.039,1010 4.09,1011 4.014,1012 3.832,1013 7.444,1014 3.872,1015 3.691,1016 3.76,1017 3.569,1018 3.543,1019 7.411,1020 3.533,1021 3.542,1022 3.602,1023 3.436,1024 3.35,1025 5.433,1026 3.362,1027 3.317,1028 3.375,1029 3.231,1030 3.14,1031 4.863,1032 3.163,1033 3.107,1034 3.171,1035 3.022,1036 2.827,1037 4.239,1038 2.856,1039 2.877,1040 3.009,1041 2.691,1042 2.618,1043 4.009,1044 2.618,1045 2.874,1046 2.923,1047 2.499,1048 2.6,1049 3.684,1050 2.57,1051 2.691,1052 2.738,1053 2.494,1054 2.38,1055 3.489,1056 2.4,1057 0.232,1058 0.199,1059 0.354,1060 0.216,1061 0.168,1062 4.639,1063 0.212,1064 3.985,1065 0.088,1066 7.072,1067 0.606,1068 4.311,1069 0.159,1070 3.362,1071 4.249,1072 1.761,1073 12.123,1074 3.186,1075 1.789,1076 1.741,1077 1.984,1078 2.007,1079 1.248,1080 1.983,1081 1.664,1082 1.605,1083 1.819,1084 1.859,1085 0.961,1086 1.863,1087 1.518,1088 1.464,1089 1.702,1090 1.75,1091 0.758,1092 1.74,1093 1.201,1094 1.122,1095 1.472,1096 1.465,1097 0.586,1098 1.474,1099 1.136,1100 1.073,1101 1.417,1102 1.32,1103 0.469,1104 1.33,1105 0.934,1106 0.86,1107 1.312,1108 1.239,1109 0.35,1110 1.308,1111 0.923,1112 0.804,1113 1.213,1114 1.211,1115 0.175,1116 1.202,1117 0.647,1118 0.59,1119 0.94,1120 0.99,1122 0.956,1123 3.714,1125 5.056,1126 2.398,1127 6.603,1128 4.727,1129 8.261,1130 6.862,1131 9.986,1132 5.47,1136 0.766,1139 0.274,1140 2.619,1142 5.272,1143 2.471,1144 21.676,1145 57.419,1146 120.222,1147 153.26,1148 153.26,1149 153.26,1150 153.26,1151 42.586,1152 6.33,1153 61.82,1154 61.82,1155 11,1156 12.409,1157 3.17,1158 2.907,1159 33.249,1160 49,1161 53,1162 0.374,1163 138.289,1164 243.58,1165 329.186,1166 3386,1168 14.154,1169 0.745,1170 0.592,1171 14.154,1172 11.252,1173 8.968,1174 0.448,1175 0.303,1176 5.925,1177 8.499,1178 5.666,1179 4.81,1180 8.968,1181 6.051,1182 8.238,1183 0.284,1184 0.169,1185 8.238,1186 4.9,1187 6.804,1188 0.17,1189 0.073,1190 6.804,1191 2.908,1192 5.71,1193 0.104,1194 0.037,1195 5.71,1196 2.053,1197 4.517,1198 0.066,1199 0.02,1200 4.517,1201 1.361,1202 0.544,1203 57.154,1204 0.286,1205 18.268,1206 1.164,1207 98,1208 328.052,1209 112.003,1210 314.22,1211 420.14,1212 290,1213 118,1214 306.597,1215 134.447,1216 310.311,1217 458.22,1218 287,1219 5.553} {0 CHEMBL24445,1 1.61,2 6.895,3 1.709,4 2.92,5 72.24,6 7.091,7 0.25,8 3.698,9 3.836,10 3.219,11 3.12,12 4.814,13 3.114,14 4.257,15 4.477,16 3.601,17 3.503,18 5.308,19 3.481,20 4.456,21 4.655,22 3.737,23 3.665,24 5.6,25 3.631,26 4.665,27 4.916,28 3.755,29 3.668,30 5.96,31 3.646,32 4.416,33 4.604,34 3.564,35 3.612,36 5.633,37 3.564,38 4.532,39 4.777,40 3.239,41 3.555,42 5.64,43 3.44,44 4.358,45 4.635,46 2.758,47 3.338,48 5.34,49 3.136,50 4.147,51 4.482,52 2.113,53 2.94,54 5.073,55 2.656,56 0.024,57 0.561,58 8.111,59 2.767,60 7.412,61 4.33,62 0.375,63 0.85,64 15.977,65 4.456,66 20.354,67 7.144,68 0.21,69 0.986,70 19.06,71 5.995,72 23,73 9.195,74 0.758,75 1.022,76 26.139,77 5.637,78 104.256,79 9.43,80 0.301,81 0.929,82 18.518,83 5.23,84 35.979,85 8.112,86 0.474,87 0.884,88 22.322,89 5.59,90 73.753,91 8.881,92 0.298,93 0.676,94 18.744,95 5.699,96 42.496,97 8.731,98 0.288,99 0.438,100 16.152,101 4.805,102 60.696,103 7.407,104 45,105 29,106 0.296,107 0.623,108 0.817,109 0.817,110 0.817,111 0.817,112 3.012,113 0.934,114 -3.35,115 -3.33,116 -3.19,117 35.1,118 2,120 1,122 1,123 2,126 1,127 1,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 2,158 1,161 3,162 3,170 5,171 4,182 1,183 11,193 6,203 3,210 1,212 1,219 3,229 2,231 363,232 12.336,233 12.336,234 12.336,235 12.336,236 12.336,237 11.436,238 20.176,239 7.147,240 12.655,241 9.768,242 9.768,243 9.768,244 9.768,245 9.768,246 8.172,247 29.919,248 3.251,249 10.263,250 3.599,251 1.819,252 0.764,253 0.764,254 0.764,255 0.764,256 3.656,260 1,261 1,262 262,263 3.082,265 37.736,266 46.305,269 70.976,270 1.069,271 24.543,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 42,282 131,283 4.638,284 3.984,285 7.072,286 4.311,287 3.362,288 4.248,289 1.761,290 12.123,291 3.186,292 3.939,293 3.413,294 6.219,295 3.608,296 2.667,297 3.21,298 1.083,299 9,300 2.507,301 3.634,302 2.985,303 5.934,304 3.398,305 2.446,306 2.796,307 0.526,308 7.932,309 2.321,310 3.158,311 2.476,312 5.028,313 3.003,314 2.016,315 2.284,316 0.522,317 5.425,318 1.986,319 3.101,320 2.094,321 4.655,322 2.775,323 1.803,324 2.121,325 0.064,326 4.973,327 1.735,328 2.624,329 1.664,330 3.976,331 2.079,332 1.13,333 1.515,335 2.729,336 1.07,337 2.391,338 1.541,339 3.669,340 1.88,341 0.933,342 1.289,343 1.78,344 0.88,345 1.929,346 1.038,347 3.209,348 1.517,349 0.517,350 0.673,351 1.363,352 0.51,353 1.759,354 1.018,355 2.888,356 1.3,357 0.278,358 0.362,359 0.595,360 0.278,361 1.077,362 -0.039,363 2.362,364 0.626,365 -0.344,366 -0.445,367 -0.621,368 -0.331,369 0.496,370 -0.281,371 2,372 0.255,373 -0.725,374 -0.867,376 -1.789,377 -0.702,378 0.252,379 -0.548,380 2,382 -1,383 -1,385 -2,386 -1,388 -0.816,389 1.766,390 -0.093,391 -1.112,392 -1.396,394 -2.629,395 -1.111,396 -0.024,397 -0.979,398 1.565,399 -0.373,400 -1.317,401 -1.59,403 -3.359,404 -1.254,405 -0.14,406 -1,407 1.302,408 -0.471,409 -1.448,410 -1.862,412 -4.345,413 -1.373,414 8.767,415 0.461,416 0.618,417 0.033,418 21.75,419 1.145,420 8.5,421 0.447,422 13.25,423 0.697,424 15.696,425 0.826,426 21.833,427 0.59,428 16.347,429 0.86,430 4.29,431 0.226,432 4.678,433 0.246,434 0.304,436 0.422,437 0.702,438 1.943,439 0.802,440 1.448,441 0.568,442 1.18,443 0.612,444 0.891,445 0.734,446 0.765,447 0.524,448 0.754,449 0.753,450 1.457,451 0.812,452 1.327,453 0.814,454 1.116,455 1.359,456 0.711,457 0.915,458 0.572,459 1.324,460 0.637,461 1.303,462 1.342,463 1.271,464 1.296,465 1.16,466 1.271,467 1.598,468 0.92,469 1.454,470 1.023,471 1.49,472 1.18,473 1.022,474 0.948,475 1.273,476 1.225,477 1.003,478 1.293,479 0.903,480 0.656,481 0.91,482 0.857,483 1.204,484 0.912,485 4,487 2.667,488 1.875,489 1.957,490 0.948,491 0.496,492 0.122,493 0.049,495 2447,496 6744,497 1.906,498 48.6,499 6,500 10,502 1,505 1,507 1.613,508 1.701,509 2.77,510 -0.672,512 1,513 1,514 1,515 59.585,516 1.61,517 3.39,518 4.446,519 4.446,520 4.446,521 4.446,522 2.275,523 3.537,524 4.214,525 2.871,526 490.905,527 7.233,528 4679.85,529 1,530 1,532 1,533 192.75,534 1.557,535 4.121,536 0.2,538 0.092,539 0.059,540 0.061,541 0.036,542 0.029,543 0.014,544 0.012,546 0.503,547 0.5,548 1,549 1.432,550 79.755,551 -0.019,552 -0.606,553 0.068,554 -0.275,555 -0.05,556 -0.119,557 0.261,558 0.283,559 0.22,560 0.22,561 0.069,562 0.209,563 0.138,564 -0.339,565 0.123,566 -0.265,567 0.036,568 -0.103,569 0.031,570 0.246,571 0.137,572 0.292,573 0.09,574 0.249,575 -0.207,576 -0.184,577 -0.317,578 -0.273,579 -0.08,580 -0.306,581 -0.399,582 0.067,583 -0.457,584 -0.099,585 -0.24,586 -0.258,587 -0.154,588 -0.065,589 -0.318,590 -0.241,591 -0.081,592 -0.3,593 -0.011,594 -0.004,595 0.084,596 0.085,597 -0.065,598 0.09,599 1.991,600 5.198,601 0.474,602 12.742,603 1.007,604 1.144,605 2.115,606 4.474,607 0.629,608 3.045,609 3.401,610 3.714,611 4.025,612 4.234,613 4.331,614 4.317,615 4.234,616 3.951,617 3.497,618 4.228,619 0.6,620 262.35,621 3.045,622 4.595,623 5.468,624 6.382,625 7.288,626 8.211,627 9.129,628 10.055,629 10.978,630 11.905,631 10.8,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 37,649 8,651 20,652 38,653 13,654 3,657 1,659 2,660 3,662 1,663 2,670 7,671 6,672 1,673 3,674 1,676 2,677 1,678 2,679 1,680 1,681 18,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,707 1,708 1,711 1,713 3,715 19,719 2,722 1,723 2,729 5.4,732 2,735 11.167,736 7.633,737 4.278,738 2.208,739 1.283,740 1.203,741 0.921,742 3.762,743 7.613,744 3.277,745 3.79,746 4.336,747 4.893,748 5.201,749 5.519,750 5.679,751 5.734,752 5.684,753 5.278,754 0.8,755 32,756 7.051,758 2.963,759 7.974,760 13.165,762 10.452,764 2.474,765 47,766 0.001,769 211.88,770 78.185,771 24.933,773 50.29,775 78.185,776 262.17,777 24.933,778 26.047,779 26.227,780 9.476,781 92.17,782 1.899,783 9.36,784 200.109,786 211.88,787 103.118,788 50.29,790 200.109,791 62.061,793 38.628,794 38.228,795 26.262,797 211.88,798 75.223,799 78.185,801 211.88,802 18.277,803 52.289,805 82.842,806 211.88,807 75.223,808 78.185,809 0.583,810 0.351,811 0.204,812 0.12,813 14,814 8,815 0.105,816 4,817 1,818 1.222,819 2.878,820 142.013,821 0.222,822 9,823 78.711,825 13.813,826 5.174,827 2.303,829 73.324,830 1.573,831 4.218,833 0.895,834 1.709,836 365.288,837 25.5,838 3.657,840 24.361,841 1.693,842 -0.644,843 37.247,844 42.318,845 0.309,846 0.651,847 0.853,848 0.853,849 0.853,850 0.853,851 4.546,852 0.517,853 5.501,854 1.78,855 4.078,856 4.472,857 2.256,858 6.405,859 3.98,860 5.752,861 0.278,862 7.128,863 1.363,864 3.892,865 4.425,866 1.404,867 7.509,868 3.754,869 7.071,870 -0.344,871 8.86,872 0.595,873 5.753,874 6.58,875 2.813,876 10.68,877 5.541,878 8.429,879 -0.725,880 10.648,881 -0.621,882 6.365,883 7.387,884 2.647,885 12.588,886 6.11,887 9.824,888 -1,889 12.474,890 -1.789,891 7.765,892 9.066,893 3.666,894 15.313,895 7.441,896 11.246,897 -1.112,898 14.324,899 -2,900 8.717,901 10.241,902 3.851,903 17.553,904 8.345,905 12.69,906 -1.317,907 16.193,908 -2.629,909 9.97,910 11.76,911 4.661,912 20.129,913 9.535,914 3.362,915 -1.448,916 18.075,917 -3.359,918 11.068,919 13.092,920 5.029,921 22.512,922 10.583,923 2.667,924 12.123,925 19.969,926 -4.345,927 12.278,928 14.559,929 5.726,930 25.034,931 11.735,932 2.446,933 9,934 21.872,935 4.248,936 13.437,937 15.956,938 6.188,939 27.479,940 12.843,941 2.016,942 7.932,943 23.782,944 3.21,945 14.639,946 17.406,947 6.825,948 29.983,949 13.989,950 1.803,951 5.425,952 25.698,953 2.796,954 15.826,955 18.831,956 7.336,957 32.455,958 15.123,959 1.13,960 4.973,961 27.62,962 2.284,963 17.028,964 20.276,965 7.94,966 34.952,967 16.272,968 0.933,969 2.729,970 29.546,971 2.121,972 18.227,973 21.713,974 8.477,975 37.437,976 17.417,977 2650,978 4516,979 12.255,980 23.262,981 31.394,982 32.973,983 33.126,984 30.373,985 30.302,986 36.995,987 7.912,988 91.84,989 28.945,990 5.589,991 5.875,992 6.838,993 5.384,994 5.362,995 6.949,996 3.071,997 20.123,998 5.074,999 12.406,1000 1.57,1001 1.649,1002 1.656,1003 1.519,1004 1.515,1005 1.85,1006 0.396,1007 4.592,1008 1.447,1009 4.042,1010 4.093,1011 4.015,1012 3.835,1013 7.444,1014 3.874,1015 3.697,1016 3.765,1017 3.572,1018 3.546,1019 7.411,1020 3.536,1021 3.563,1022 3.625,1023 3.44,1024 3.386,1025 4.904,1026 3.386,1027 3.386,1028 3.457,1029 3.263,1030 3.161,1031 4.665,1032 3.187,1033 3.115,1034 3.186,1035 3.023,1036 2.831,1037 4.238,1038 2.859,1039 2.881,1040 3.009,1041 2.696,1042 2.618,1043 4.009,1044 2.622,1045 2.874,1046 2.925,1047 2.509,1048 2.604,1049 3.672,1050 2.57,1051 2.7,1052 2.779,1053 2.499,1054 2.413,1055 3.482,1056 2.417,1057 0.232,1058 0.199,1059 0.354,1060 0.216,1061 0.168,1062 4.638,1063 0.212,1064 3.984,1065 0.088,1066 7.072,1067 0.606,1068 4.311,1069 0.159,1070 3.362,1071 4.248,1072 1.761,1073 12.123,1074 3.186,1075 1.793,1076 1.745,1077 1.985,1078 2.01,1079 1.249,1080 1.987,1081 1.684,1082 1.621,1083 1.881,1084 1.878,1085 1.019,1086 1.888,1087 1.548,1088 1.491,1089 1.736,1090 1.773,1091 0.793,1092 1.773,1093 1.238,1094 1.164,1095 1.478,1096 1.492,1097 0.59,1098 1.488,1099 1.181,1100 1.094,1101 1.439,1102 1.429,1103 0.469,1104 1.452,1105 0.934,1106 0.861,1107 1.417,1108 1.239,1109 0.411,1110 1.308,1111 0.923,1112 0.804,1113 1.213,1114 1.211,1115 0.258,1116 1.202,1117 0.677,1118 0.605,1119 1.044,1120 1.016,1121 0.041,1122 1.013,1123 3.714,1125 5.056,1126 2.398,1127 6.603,1128 4.727,1129 8.261,1130 6.862,1131 9.986,1132 5.528,1136 1.028,1139 0.294,1140 2.687,1144 22.203,1145 59.585,1146 125.447,1147 164.485,1148 164.485,1149 164.485,1150 164.485,1151 41.783,1152 6.33,1153 61.82,1154 61.82,1155 11,1156 12.409,1157 3.17,1158 2.7,1159 33.249,1160 49,1161 53,1162 0.374,1163 141.217,1164 246.22,1165 336.329,1166 3386,1168 14.154,1169 0.745,1170 0.603,1171 14.154,1172 11.459,1173 8.968,1174 0.448,1175 0.311,1176 6.099,1177 8.499,1178 5.835,1179 4.963,1180 8.968,1181 6.225,1182 8.238,1183 0.284,1184 0.173,1185 8.238,1186 5.009,1187 6.804,1188 0.17,1189 0.074,1190 6.804,1191 2.973,1192 5.71,1193 0.104,1194 0.038,1195 5.71,1196 2.112,1197 4.517,1198 0.066,1199 0.021,1200 4.517,1201 1.403,1202 0.544,1203 57.154,1204 0.286,1205 18.268,1206 1.164,1207 98,1208 316.052,1209 112.003,1210 300.491,1211 404.61,1212 278,1213 118,1214 298.597,1215 134.447,1216 300.852,1217 446.62,1218 279,1219 5.071} {0 CHEMBL24759,1 1.658,2 7.8,3 1.484,4 2.201,5 73.946,6 7.951,7 0.5,8 3.653,9 3.773,10 3.284,11 3.14,12 4.826,13 3.155,14 4.18,15 4.368,16 3.667,17 3.532,18 5.325,19 3.534,20 4.341,21 4.496,22 3.771,23 3.664,24 5.586,25 3.651,26 4.524,27 4.731,28 3.681,29 3.598,30 5.915,31 3.581,32 4.294,33 4.508,34 3.381,35 3.49,36 5.418,37 3.423,38 4.265,39 4.514,40 3.192,41 3.383,42 5.323,43 3.281,44 4.055,45 4.314,46 3.048,47 3.136,48 5.155,49 3.068,50 3.713,51 3.903,52 2.756,53 2.94,54 4.93,55 2.855,56 0.048,57 0.547,58 6.092,59 2.625,60 4.926,61 3.44,62 0.376,63 0.859,64 12.796,65 4.128,66 13.453,67 5.698,68 0.201,69 0.963,70 13.966,71 5.767,72 16.895,73 7.508,74 0.718,75 1.004,76 20.703,77 5.493,78 99.865,79 7.311,80 0.337,81 0.845,82 15.446,83 4.954,84 27.128,85 6.785,86 0.291,87 0.759,88 16.452,89 5.419,90 42.594,91 7.655,92 0.281,93 0.597,94 13.961,95 4.137,96 37.091,97 5.888,98 0.142,99 0.454,100 8.179,101 3.078,102 16.169,103 3.981,104 17,105 32,106 0.305,107 0.626,108 0.73,109 0.782,110 0.829,111 0.829,112 3.059,113 0.851,114 -3.45,115 -3.43,116 -3.27,117 41.2,122 2,123 1,130 5,131 1,134 1,138 1,140 1,141 1,142 1,150 6,152 6,153 1,158 6,161 3,162 2,167 3,170 5,171 3,182 1,183 6,193 8,203 8,212 5,222 2,231 454,232 13.328,233 13.328,234 13.328,235 13.328,236 13.328,237 11.807,238 19.808,239 7.659,240 13.647,241 10.783,242 10.783,243 10.783,244 10.783,245 10.783,246 8.349,247 31.54,248 3.603,249 11.253,250 3.43,251 1.68,252 1.114,253 0.831,254 0.574,255 0.574,256 3.731,260 1,261 1,262 333,263 2.236,265 38.549,266 105.474,269 72.38,270 1.14,271 22.599,273 1,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 44,282 156,283 4.633,284 3.976,285 7.047,286 4.299,287 3.35,288 4.25,289 1.761,290 11.981,291 3.177,292 3.99,293 3.406,294 6.18,295 3.654,296 2.702,297 3.457,298 1.083,299 8.8,300 2.582,301 3.812,302 3.014,303 5.865,304 3.404,305 2.424,306 3.168,307 0.526,308 7.644,309 2.364,310 3.576,311 2.703,312 5.421,313 3.287,314 2.334,315 2.751,316 0.522,317 7.055,318 2.208,319 3.105,320 2.158,321 4.88,322 2.684,323 1.712,324 2.27,325 0.064,326 5.042,327 1.653,328 2.828,329 1.663,330 3.973,331 2.362,332 1.376,333 1.954,335 3.019,336 1.352,337 2.5,338 1.543,339 3.648,340 2,341 1.037,342 1.5,343 2.665,344 1,345 2.411,346 1.163,347 3.535,348 1.947,349 1,350 1.372,351 2.136,352 0.942,353 1.925,354 1.031,355 3.247,356 1.476,357 0.47,358 0.633,359 1.184,360 0.465,361 1.757,362 1,363 3.054,364 1.317,365 0.302,366 0.383,367 0.688,368 0.299,369 1.205,370 0.203,371 2.66,372 0.869,373 -0.11,374 -0.139,376 -0.278,377 -0.107,378 0.611,379 -0.362,380 2,381 0.217,382 -0.767,383 -0.961,385 -1.808,386 -0.746,387 0.5,388 -0.448,389 2,391 -1,392 -1.413,394 -2.347,395 -1,396 0.222,397 -0.767,398 1.744,399 -0.17,400 -1.137,401 -1.5,403 -2.946,404 -1.071,406 -1,407 1.555,408 -0.267,409 -1.261,410 -1.504,412 -3.066,413 -1.252,414 9.267,415 0.463,416 0.58,417 0.029,418 27.75,419 1.388,420 13.5,421 0.675,422 14.25,423 0.713,424 12.836,425 0.642,426 21.333,427 0.627,428 19.941,429 0.997,430 5.754,431 0.288,432 3.838,433 0.192,434 0.18,436 0.399,437 0.697,438 1.701,439 0.687,440 1.231,441 0.516,442 0.997,443 0.652,444 0.717,445 0.731,446 0.622,447 0.55,448 0.658,449 0.745,450 1.424,451 0.841,452 1.38,453 0.851,454 1.182,455 1.476,456 0.889,457 1.194,458 0.829,459 1.529,460 0.931,461 1.092,462 1.002,463 1.215,464 1.056,465 0.903,466 1.129,467 0.952,468 0.972,469 1.024,470 1.019,471 0.961,472 1.037,473 1.133,474 0.78,475 0.886,476 0.733,477 1.1,478 0.753,479 1.155,480 1.16,481 1.35,482 1.385,483 1.126,484 1.407,485 3.5,486 0.012,487 2.667,488 1.813,489 1.623,490 0.584,491 0.376,492 0.262,493 0.144,494 0.061,495 3443,496 10120,497 2.048,498 41.2,500 13,502 1,507 1.621,508 1.875,509 2.951,510 -0.689,512 1,514 1,515 56.368,516 1.658,517 3.407,518 3.974,519 4.256,520 4.514,521 4.514,522 2.423,523 3.784,524 4.294,525 3.05,526 579.48,527 7.354,528 5714.03,529 1,530 1,532 1,533 172.974,534 1.522,535 4.231,536 0.159,537 0.012,538 0.083,539 0.053,540 0.056,541 0.027,542 0.021,543 0.016,544 0.013,545 0.012,546 0.453,547 0.67,548 1,549 0.68,550 86.674,551 -0.041,552 -0.506,553 0.072,554 -0.219,555 -0.041,556 -0.085,557 0.205,558 0.444,559 0.155,560 0.303,561 0.033,562 0.235,563 0.122,564 -0.362,565 0.017,566 -0.37,567 0.026,568 -0.236,569 -0.055,570 0.097,571 -0.167,572 0.06,573 0.003,574 -0.053,575 -0.17,576 0.015,577 -0.274,578 -0.106,579 -0.068,580 -0.185,581 -0.092,582 -0.08,583 -0.018,584 -0.025,585 -0.071,586 -0.009,587 -0.125,588 0.093,589 0.169,590 0.236,591 -0.05,592 0.264,593 -0.216,594 -0.18,595 -0.436,596 -0.381,597 -0.114,598 -0.438,599 2.035,600 5.262,601 0.75,602 13.1,603 1.014,604 1.132,605 2.217,606 4.913,607 0.669,608 3.135,609 3.497,610 3.829,611 4.094,612 4.29,613 4.357,614 4.407,615 4.466,616 4.431,617 4.331,618 4.652,619 0.651,620 270.32,621 3.135,622 4.691,623 5.572,624 6.472,625 7.372,626 8.281,627 9.189,628 10.103,629 11.016,630 11.933,631 11.8,634 2,635 1,637 6,638 1,640 3,641 1,642 11,648 34,649 13,650 1,651 22,652 36,653 14,654 9,655 1,656 5,657 1,659 3,660 4,662 1,670 11,671 3,673 2,676 2,678 2,679 1,680 1,681 14,682 5,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 20,719 1,723 2,729 5.9,732 2,735 10.667,736 6.883,737 4.361,738 1.878,739 2.19,740 1.325,741 0.986,742 3.067,743 8.938,744 3.418,745 4.003,746 4.586,747 5.124,748 5.495,749 5.714,750 6.005,751 6.325,752 6.588,753 6.753,754 1,755 34,756 7.398,758 3.192,759 7.942,760 13.801,762 11.185,764 2.442,765 48.833,769 164.795,770 92.149,771 24.933,773 50.29,775 92.149,776 215.085,777 24.933,778 16.793,779 8.354,780 47.381,781 92.17,782 5.085,783 9.36,784 153.024,786 164.795,787 117.082,788 50.29,790 164.795,791 50.29,793 18.872,794 81.425,795 16.786,797 164.795,798 75.223,799 92.149,801 164.795,802 19.356,803 80.94,805 67.075,806 164.795,807 75.223,808 92.149,809 0.594,810 0.369,811 0.195,812 0.102,813 17,814 8,815 0.056,816 2,817 1,818 1.133,819 3.135,820 156.847,821 0.133,822 15,823 82.439,825 12.881,826 4.762,827 2.038,829 73.324,830 11.401,831 4.19,833 1.926,834 1.77,836 332.168,837 29.5,840 24.11,842 -0.691,843 34.48,844 38.488,845 0.326,846 0.67,847 0.781,848 0.837,849 0.887,850 0.887,851 4.67,852 1,853 5.587,854 2.665,855 4.174,856 4.687,857 2.256,858 6.466,859 4.09,860 5.886,861 0.47,862 7.198,863 2.136,864 3.892,865 4.511,866 1.404,867 7.506,868 3.754,869 7.205,870 0.302,871 8.913,872 1.184,873 5.832,874 6.841,875 2.813,876 10.676,877 5.649,878 8.562,879 -0.11,880 10.688,881 0.688,882 6.382,883 7.499,884 2.647,885 12.54,886 6.139,887 9.953,888 -0.767,889 12.501,890 -0.278,891 7.817,892 9.302,893 3.666,894 15.26,895 7.529,896 11.369,897 -1,898 14.339,899 -1.808,900 8.728,901 10.348,902 3.851,903 17.468,904 8.379,905 12.804,906 -1.137,907 16.197,908 -2.347,909 9.993,910 11.942,911 4.661,912 20.038,913 9.595,914 3.35,915 -1.261,916 18.069,917 -2.946,918 11.065,919 13.183,920 5.029,921 22.4,922 10.607,923 2.702,924 11.981,925 19.953,926 -3.066,927 12.276,928 14.688,929 5.726,930 24.915,931 11.767,932 2.424,933 8.8,934 21.847,935 4.25,936 13.419,937 16.027,938 6.188,939 27.345,940 12.852,941 2.334,942 7.644,943 23.749,944 3.457,945 14.617,946 17.495,947 6.825,948 29.84,949 13.997,950 1.712,951 7.055,952 25.658,953 3.168,954 15.794,955 18.885,956 7.336,957 32.299,958 15.117,959 1.376,960 5.042,961 27.573,962 2.751,963 16.991,964 20.337,965 7.94,966 34.786,967 16.261,968 1.037,969 3.019,970 29.493,971 2.27,972 18.183,973 21.753,974 8.477,975 37.258,976 17.397,977 3410,978 5957,979 14.334,980 22.739,981 34.255,982 35.786,983 35.517,984 33.498,985 33.412,986 43.475,987 7.912,988 100.429,989 32.086,990 5.58,991 5.976,992 6.849,993 5.373,994 5.35,995 7.25,996 3.071,997 19.981,998 5.177,999 10.326,1000 1.557,1001 1.627,1002 1.614,1003 1.523,1004 1.519,1005 1.976,1006 0.36,1007 4.565,1008 1.458,1009 4.054,1010 4.103,1011 4.024,1012 3.9,1013 7.444,1014 3.915,1015 3.859,1016 3.894,1017 3.795,1018 3.739,1019 7.411,1020 3.759,1021 3.528,1022 3.594,1023 3.462,1024 3.257,1025 4.9,1026 3.297,1027 3.282,1028 3.374,1029 3.151,1030 3.015,1031 4.723,1032 3.026,1033 3.043,1034 3.11,1035 2.913,1036 2.896,1037 4.071,1038 2.891,1039 2.871,1040 2.927,1041 2.715,1042 2.735,1043 3.922,1044 2.715,1045 2.854,1046 2.925,1047 2.687,1048 2.595,1049 3.766,1050 2.613,1051 2.791,1052 2.812,1053 2.57,1054 2.458,1055 3.674,1056 2.491,1057 0.211,1058 0.181,1059 0.32,1060 0.195,1061 0.152,1062 4.633,1063 0.193,1064 3.976,1065 0.08,1066 7.047,1067 0.545,1068 4.299,1069 0.144,1070 3.35,1071 4.25,1072 1.761,1073 11.981,1074 3.177,1075 1.921,1076 1.89,1077 2.046,1078 2.033,1079 1.183,1080 2.033,1081 1.715,1082 1.676,1083 1.818,1084 1.944,1085 0.918,1086 1.911,1087 1.441,1088 1.369,1089 1.63,1090 1.698,1091 0.745,1092 1.679,1093 1.247,1094 1.149,1095 1.594,1096 1.536,1097 0.657,1098 1.559,1099 1.064,1100 0.996,1101 1.303,1102 1.316,1103 0.385,1104 1.319,1105 0.944,1106 0.88,1107 1.191,1108 1.156,1109 0.218,1110 1.175,1111 0.886,1112 0.821,1113 1.181,1114 1.062,1115 0.214,1116 1.107,1117 0.661,1118 0.627,1119 0.88,1120 1.016,1122 0.949,1123 3.807,1125 5.153,1126 2.398,1127 6.708,1128 4.727,1129 8.361,1130 6.862,1131 10.069,1132 3.091,1136 0.546,1140 2.49,1144 22.149,1145 56.368,1146 115.854,1147 135.099,1148 144.709,1149 153.464,1150 153.464,1151 33.471,1152 6.748,1153 61.82,1154 61.82,1155 17,1156 12.445,1157 3.807,1158 3.087,1159 29.843,1160 55,1161 57,1162 0.276,1163 137.561,1164 234.98,1165 327.409,1166 6484,1168 14.276,1169 0.714,1170 0.564,1171 14.276,1172 11.277,1173 9.592,1174 0.436,1175 0.284,1176 6.111,1177 9.116,1178 5.91,1179 4.943,1180 9.592,1181 6.241,1182 8.755,1183 0.274,1184 0.148,1185 8.755,1186 4.736,1187 8.041,1188 0.179,1189 0.076,1190 8.041,1191 3.413,1192 6.398,1193 0.108,1194 0.039,1195 6.398,1196 2.297,1197 4.905,1198 0.068,1199 0.02,1200 4.905,1201 1.472,1202 0.414,1203 60.981,1204 0.264,1205 19.459,1206 0.817,1207 108,1208 350.052,1209 121.67,1210 335.509,1211 455.91,1212 312,1213 131,1214 337.245,1215 147.114,1216 342.178,1217 504.46,1218 318,1219 4.854} {0 CHEMBL24774,1 1.584,2 9.08,3 2.861,4 8.186,5 93.662,6 8.107,7 0.607,8 3.839,9 3.951,10 3.487,11 3.405,12 5.012,13 3.407,14 4.343,15 4.495,16 3.851,17 3.795,18 5.504,19 3.774,20 4.574,21 4.751,22 3.921,23 3.893,24 5.715,25 3.854,26 4.679,27 4.886,28 3.907,29 3.818,30 6.017,31 3.801,32 4.532,33 4.722,34 3.862,35 3.804,36 5.77,37 3.785,38 4.601,39 4.794,40 3.855,41 3.819,42 5.889,43 3.806,44 4.47,45 4.642,46 3.704,47 3.765,48 5.724,49 3.722,50 4.429,51 4.667,52 3.323,53 3.621,54 5.479,55 3.5,56 0.039,57 0.628,58 6.885,59 3.308,60 6.163,61 4.026,62 0.312,63 1.025,64 13.099,65 5.434,66 13.202,67 6.894,68 0.208,69 1.2,70 18.001,71 7.6,72 27.128,73 9.777,74 0.668,75 1.265,76 23.528,77 7.282,78 94.144,79 9.056,80 0.271,81 1.125,82 18.451,83 6.752,84 33.764,85 8.541,86 0.427,87 1.156,88 21.265,89 7.078,90 67.742,91 8.32,92 0.286,93 1.056,94 16.676,95 6.268,96 43.129,97 7.401,98 0.293,99 0.959,100 18.624,101 6.847,102 44.3,103 9.027,104 5,105 39,106 0.275,107 0.56,108 0.638,109 0.711,110 0.76,111 0.777,112 3.268,113 0.855,114 -4.44,115 -4.37,116 -4.12,117 46.3,123 2,130 10,131 2,134 1,138 1,140 1,141 1,142 1,150 12,152 5,153 2,155 1,158 12,162 4,164 3,167 6,170 5,171 10,183 14,186 1,188 2,193 14,198 4,201 1,203 10,208 4,210 4,212 4,217 2,219 8,222 2,229 10,231 857,232 17.259,233 17.259,234 17.259,235 17.259,236 17.259,237 14.987,238 18.847,239 10.351,240 17.535,241 13.84,242 13.84,243 13.84,244 13.84,245 13.84,246 10.453,247 26.939,248 4.948,249 14.265,250 3.773,251 2.129,252 1.676,253 1.256,254 0.976,255 0.878,256 3.966,260 1,261 1,262 499,263 2.449,265 53.638,266 205.058,269 95.964,270 1.376,271 26.444,273 1,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 54,282 227,283 4.57,284 3.994,285 6.989,286 4.275,287 3.324,288 4.098,289 1.77,290 11.821,291 3.157,292 3.948,293 3.399,294 6.064,295 3.608,296 2.64,297 3.463,298 1.112,299 8.606,300 2.566,301 3.922,302 2.961,303 5.971,304 3.547,305 2.564,306 3.452,307 0.695,308 8.198,309 2.52,310 3.727,311 2.711,312 5.304,313 3.312,314 2.333,315 3.061,316 0.477,317 6.774,318 2.271,319 3.561,320 2.602,321 5.295,322 3.217,323 2.241,324 2.752,325 0.074,326 6.683,327 2.168,328 2.921,329 1.831,330 4.11,331 2.481,332 1.487,333 2.084,335 3.309,336 1.476,337 2.901,338 1.787,339 3.957,340 2.461,341 1.461,342 2.061,343 3.126,344 1.46,345 2.648,346 1.474,347 3.628,348 2.143,349 1.205,350 1.68,351 2.762,352 1.123,353 2.5,354 1.386,355 3.56,356 2,357 1,358 1.5,359 2.466,360 1,361 2.5,362 1.032,363 3.322,364 2,365 1,366 1.5,367 2.136,368 1,369 2.325,370 1,371 3.247,372 1.823,373 0.882,374 1.211,376 2.136,377 0.822,378 1.992,379 1,380 3.247,381 1.533,382 0.543,383 0.737,385 1.411,386 0.531,387 1.824,388 0.807,389 3.107,390 1.367,391 0.365,392 0.485,394 0.926,395 0.361,396 0.943,397 0.132,398 2.607,399 0.606,400 -0.385,401 -0.48,403 -0.946,404 -0.38,405 0.934,406 0.015,407 2.477,408 0.558,409 -0.464,410 -0.607,412 -1.085,413 -0.47,414 11.767,415 0.471,416 0.521,417 0.021,418 36.5,419 1.46,420 19.5,421 0.78,422 17,423 0.68,424 16.201,425 0.648,426 25.433,427 0.62,428 27.012,429 1.08,430 7.529,431 0.301,432 4.708,433 0.188,434 0.057,436 0.323,437 0.703,438 1.363,439 0.687,440 1.02,441 0.517,442 0.874,443 0.554,444 0.941,445 0.85,446 0.92,447 0.578,448 0.927,449 0.742,450 1.3,451 0.885,452 1.267,453 0.855,454 1.138,455 1.428,456 0.907,457 1.045,458 0.812,459 1.46,460 0.847,461 1.126,462 1.104,463 0.898,464 1.008,465 0.997,466 0.92,467 1.776,468 0.907,469 1.057,470 0.777,471 1.835,472 0.79,473 1.472,474 1.126,475 1.267,476 1.11,477 1.405,478 1.142,479 1.051,480 0.89,481 1.207,482 1.021,483 1.014,484 1.12,485 3.5,486 0.016,487 2.444,488 1.556,489 1.894,490 0.941,491 0.545,492 0.353,493 0.146,494 0.031,495 6819,496 18473,497 2.154,498 39,500 14,502 1,503 1,507 1.687,508 2.055,509 3.162,510 -0.317,511 1,512 1,514 1,515 64.949,516 1.584,517 3.229,518 3.681,519 4.101,520 4.382,521 4.48,522 2.675,523 3.814,524 4.613,525 3.281,526 984.424,527 8.017,528 11552.8,529 1,530 1,532 1,533 219.66,534 1.26,535 4.592,536 0.125,537 0.002,538 0.063,539 0.039,540 0.05,541 0.025,542 0.014,543 0.011,544 0.007,545 0.002,546 0.338,547 0.17,548 1,549 0.477,550 118.148,551 -0.048,552 -0.247,553 0.054,554 -0.077,555 -0.036,556 -0.011,557 0.254,558 0.18,559 -0.022,560 0.001,561 0.004,562 -0.056,563 0.137,564 -0.303,565 0.024,566 -0.298,567 -0.003,568 -0.189,569 0.053,570 0.106,571 0.007,572 0.105,573 0.087,574 0.061,575 -0.037,576 -0.093,577 0.064,578 -0.06,579 0.084,580 0.013,581 -0.322,582 0.076,583 -0.035,584 0.171,585 -0.196,586 0.131,587 -0.303,588 -0.107,589 -0.339,590 -0.167,591 -0.17,592 -0.24,593 -0.167,594 0.034,595 -0.186,596 -0.019,597 -0.114,598 -0.088,599 2.03,600 5.982,601 0.84,602 20.131,603 1.009,604 1.12,605 3.208,606 10.292,607 0.695,608 3.367,609 3.689,610 4.007,611 4.304,612 4.543,613 4.625,614 4.754,615 4.898,616 4.927,617 4.905,618 5.435,619 0.675,620 332.39,621 3.367,622 4.905,623 5.771,624 6.658,625 7.546,626 8.444,627 9.343,628 10.248,629 11.154,630 12.064,631 9.8,634 2,635 1,637 11,638 1,639 1,640 4,642 17,648 41,649 19,650 2,651 28,652 44,653 19,654 15,655 2,656 10,657 1,659 4,660 5,662 1,670 17,671 2,673 2,676 2,678 2,679 1,680 1,681 16,682 5,683 1,684 6,686 1,687 4,688 1,689 0.75,690 2,698 1,699 3,711 3,715 25,719 2,723 2,729 4.9,732 2,735 12.167,736 7.35,737 5.5,738 2.343,739 2.697,740 1.368,741 1.026,742 4.081,743 10.033,744 3.676,745 4.238,746 4.795,747 5.323,748 5.726,749 5.831,750 6.127,751 6.502,752 6.813,753 6.997,754 1,755 40,756 9.277,758 4.053,759 7.84,760 17.439,762 14.38,764 2.34,765 58.5,768 1,769 176.567,770 128.029,771 39.82,773 50.29,775 128.029,776 226.856,777 39.82,779 10.46,780 94.762,781 92.17,782 23.157,783 9.36,784 164.795,786 176.567,787 167.848,788 50.29,790 176.567,791 50.29,793 35.864,794 115.199,795 16.786,797 176.567,798 90.11,799 128.029,801 176.567,802 24.648,803 109.63,804 16.786,805 67.075,806 176.567,807 90.11,808 128.029,809 0.576,810 0.347,811 0.196,812 0.108,813 20,814 8,815 0.091,816 4,817 1,818 1.095,819 3.687,820 217.16,821 0.095,822 21,823 108.096,825 15.609,826 6.536,827 2.945,829 73.324,830 20.55,831 4.179,832 2.863,833 2.584,835 16.786,836 394.705,837 38.5,840 25.68,842 -0.719,843 41.363,844 45.903,845 0.296,846 0.603,847 0.687,848 0.766,849 0.818,850 0.836,851 4.9,852 1.205,853 5.746,854 3.126,855 4.369,856 4.924,857 2.311,858 6.581,859 4.308,860 6.088,861 1,862 7.314,863 2.762,864 3.892,865 4.511,866 1.404,867 7.529,868 3.791,869 7.378,870 1,871 8.99,872 2.466,873 5.969,874 7.027,875 2.863,876 10.704,877 5.828,878 8.705,879 0.882,880 10.734,881 2.136,882 6.382,883 7.473,884 2.671,885 12.524,886 6.184,887 10.068,888 0.543,889 12.521,890 2.136,891 7.888,892 9.4,893 3.708,894 15.226,895 7.653,896 11.455,897 0.365,898 14.339,899 1.411,900 8.712,901 10.261,902 3.888,903 17.404,904 8.412,905 12.862,906 -0.385,907 16.179,908 0.926,909 10.003,910 11.926,911 4.705,912 19.956,913 9.661,914 3.324,915 -0.464,916 18.035,917 -0.946,918 11.025,919 13.013,920 5.075,921 22.294,922 10.616,923 2.64,924 11.821,925 19.905,926 -1.085,927 12.24,928 14.547,929 5.776,930 24.794,931 11.783,932 2.564,933 8.606,934 21.785,935 4.098,936 13.354,937 15.764,938 6.243,939 27.204,940 12.833,941 2.333,942 8.198,943 23.675,944 3.463,945 14.547,946 17.232,947 6.884,948 29.685,949 13.974,950 2.241,951 6.774,952 25.571,953 3.452,954 15.705,955 18.526,956 7.4,957 32.128,958 15.071,959 1.487,960 6.683,961 27.475,962 3.061,963 16.895,964 19.959,965 8.009,966 34.601,967 16.207,968 1.461,969 3.309,970 29.384,971 2.752,972 18.073,973 21.299,974 8.55,975 37.059,976 17.327,977 6436,978 10735,979 19.186,980 28.5,981 42.924,982 44.018,983 43.173,984 42.094,985 42.088,986 56.169,987 8.255,988 120.705,989 40.911,990 5.522,991 5.994,992 6.791,993 5.352,994 5.324,995 7.098,996 3.082,997 19.821,998 5.157,999 8.279,1000 1.533,1001 1.572,1002 1.542,1003 1.503,1004 1.503,1005 2.006,1006 0.295,1007 4.311,1008 1.461,1009 4.042,1010 4.088,1011 4.008,1012 3.899,1013 7.444,1014 3.909,1015 3.893,1016 3.926,1017 3.819,1018 3.835,1019 7.411,1020 3.827,1021 3.864,1022 3.903,1023 3.799,1024 3.725,1025 4.949,1026 3.752,1027 3.467,1028 3.525,1029 3.413,1030 3.206,1031 4.756,1032 3.246,1033 3.25,1034 3.314,1035 3.155,1036 3.065,1037 4.738,1038 3.07,1039 2.964,1040 3.006,1041 2.855,1042 2.79,1043 3.961,1044 2.803,1045 2.879,1046 2.925,1047 2.809,1048 2.735,1049 3.84,1050 2.715,1051 2.854,1052 2.925,1053 2.687,1054 2.735,1055 3.674,1056 2.715,1057 0.163,1058 0.143,1059 0.25,1060 0.153,1061 0.119,1062 4.57,1063 0.146,1064 3.994,1065 0.063,1066 6.989,1067 0.422,1068 4.275,1069 0.113,1070 3.324,1071 4.098,1072 1.77,1073 11.821,1074 3.157,1075 1.927,1076 1.896,1077 2.048,1078 2.049,1079 1.182,1080 2.043,1081 1.904,1082 1.874,1083 2.033,1084 1.987,1085 1.148,1086 2.004,1087 1.667,1088 1.634,1089 1.736,1090 1.868,1091 0.849,1092 1.839,1093 1.353,1094 1.273,1095 1.526,1096 1.661,1097 0.668,1098 1.626,1099 1.212,1100 1.144,1101 1.461,1102 1.431,1103 0.549,1104 1.443,1105 1.088,1106 1.033,1107 1.28,1108 1.287,1109 0.302,1110 1.287,1111 0.886,1112 0.821,1113 1.181,1114 1.062,1115 0.218,1116 1.107,1117 0.886,1118 0.821,1119 1.181,1120 1.062,1121 0.218,1122 1.107,1123 4.043,1125 5.361,1126 2.398,1127 6.889,1128 4.595,1129 8.517,1130 6.629,1131 10.202,1136 0.582,1140 2.782,1144 27.676,1145 64.949,1146 132.387,1147 150.931,1148 168.15,1149 179.66,1150 183.66,1151 42.246,1152 7.336,1153 72.68,1154 72.68,1155 23,1156 12.58,1157 4.322,1158 3.524,1159 35.623,1160 81,1161 82,1162 0.219,1163 169.347,1164 290.3,1165 404.967,1166 14211,1168 17.225,1169 0.689,1170 0.537,1171 17.225,1172 13.423,1173 12.237,1174 0.437,1175 0.285,1176 7.871,1177 11.806,1178 7.727,1179 6.406,1180 12.237,1181 7.984,1182 10.784,1183 0.277,1184 0.15,1185 10.784,1186 5.832,1187 9.537,1188 0.177,1189 0.077,1190 9.537,1191 4.163,1192 8.14,1193 0.112,1194 0.04,1195 8.14,1196 2.921,1197 6.568,1198 0.071,1199 0.021,1200 6.568,1201 1.964,1202 0.332,1203 76.561,1204 0.228,1205 23.826,1206 0.64,1207 134,1208 402.739,1209 147.643,1210 391.709,1211 536.94,1212 366,1213 160,1214 397.752,1215 175.614,1216 403.487,1217 594.9,1218 379,1219 4.854} {0 CHEMBL25096,1 1.649,2 5.706,3 1.092,4 1.192,5 63.077,6 7.161,7 0.278,8 3.597,9 3.736,10 3.129,11 2.989,12 4.703,13 2.995,14 4.171,15 4.4,16 3.529,17 3.39,18 5.225,19 3.381,20 4.336,21 4.522,22 3.651,23 3.551,24 5.519,25 3.527,26 4.568,27 4.821,28 3.621,29 3.512,30 5.895,31 3.493,32 4.26,33 4.453,34 3.335,35 3.412,36 5.457,37 3.36,38 4.357,39 4.607,40 2.904,41 3.349,42 5.412,43 3.201,44 4.174,45 4.488,46 2.239,47 3.027,48 5.043,49 2.761,50 3.779,51 4.153,52 1.055,53 2.353,54 4.543,55 1.969,56 0.038,57 0.501,58 7.251,59 2.317,60 5.241,61 3.779,62 0.397,63 0.757,64 14.8,65 3.846,66 19.063,67 6.315,68 0.21,69 0.864,70 16.615,71 5.259,72 18.635,73 8.073,74 0.768,75 0.853,76 23.957,77 4.729,78 102.766,79 8.213,80 0.346,81 0.742,82 16.013,83 4.226,84 34.231,85 6.649,86 0.435,87 0.681,88 18.77,89 4.796,90 60.106,91 7.636,92 0.285,93 0.467,94 16.154,95 4.585,96 38.025,97 7.372,98 0.27,99 0.221,100 11.825,101 2.896,102 42.465,103 4.841,104 39,105 27,106 0.313,107 0.575,108 0.756,109 0.791,110 0.791,111 0.791,112 2.911,113 0.923,114 -2.88,115 -2.89,116 -2.79,117 33.3,118 2,120 1,122 2,123 1,134 1,138 1,140 1,141 1,142 1,150 2,152 6,153 1,158 1,161 3,162 2,170 5,171 3,182 1,183 7,193 3,203 2,231 259,232 10.759,233 10.759,234 10.759,235 10.759,236 10.759,237 9.936,238 16.17,239 6.015,240 11.078,241 8.793,242 8.793,243 8.793,244 8.793,245 8.793,246 7.379,247 22.25,248 2.792,249 9.27,250 3.396,251 2.018,252 1.061,253 0.879,254 0.879,255 0.879,256 3.546,261 1,262 195,263 2.739,265 32.409,266 39.937,269 61,270 0.817,271 22.339,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 38,282 97,283 4.629,284 3.983,285 7.058,286 4.304,287 3.355,288 4.236,289 1.761,290 12.041,291 3.18,292 3.915,293 3.409,294 6.178,295 3.573,296 2.628,297 3.192,298 1.083,299 8.784,300 2.481,301 3.634,302 2.953,303 5.934,304 3.396,305 2.445,306 2.794,307 0.526,308 7.929,309 2.316,310 3.114,311 2.37,312 4.8,313 3.001,314 2.01,315 2.166,316 0.064,317 5.01,318 1.985,319 3.013,320 1.99,321 4.655,322 2.589,323 1.633,324 2.104,326 4.668,327 1.545,328 2.403,329 1.663,330 3.97,331 1.947,332 1.037,333 1.36,335 2.698,336 0.943,337 1.928,338 1.168,339 3.614,340 1.523,341 0.52,342 0.676,343 1.39,344 0.514,345 1.755,346 1.031,347 2.99,348 1.308,349 0.287,350 0.368,351 0.633,352 0.286,353 0.765,354 -0.047,355 2.379,356 0.508,357 -0.458,358 -0.517,359 -1.129,360 -0.436,361 0.372,362 -0.299,363 2,364 0.139,365 -0.836,366 -0.969,367 -2,368 -0.8,369 0.084,370 -0.689,371 2,373 -1,374 -1,376 -2.193,377 -1,379 -0.846,380 1.665,381 -0.264,382 -1.25,383 -1.501,385 -3.104,386 -1.241,387 -0.106,388 -1,389 1.407,390 -0.452,391 -1.379,392 -1.665,394 -3.816,395 -1.262,396 -0.226,397 -1.163,398 1.299,399 -0.473,400 -1.479,401 -1.924,403 -4.505,404 -1.498,405 -0.332,406 -1.604,407 1.201,408 -0.784,409 -1.712,410 -2,411 -0.4,412 -5.457,413 -1.597,414 7.767,415 0.457,416 0.656,417 0.039,418 19.75,419 1.162,420 7.5,421 0.441,422 12.25,423 0.721,424 13.723,425 0.807,426 19.833,427 0.601,428 14.014,429 0.824,430 3.78,431 0.222,432 4.151,433 0.244,434 0.343,436 0.476,437 0.706,438 2.077,439 0.784,440 1.522,441 0.531,442 1.207,443 0.614,444 0.755,445 0.667,446 0.619,447 0.495,448 0.628,449 0.732,450 1.563,451 0.828,452 1.468,453 0.825,454 1.212,455 1.339,456 0.732,457 0.953,458 0.613,459 1.337,460 0.682,461 1.395,462 1.222,463 1.374,464 1.258,465 1.262,466 1.296,467 1.436,468 0.94,469 1.504,470 1.148,471 1.427,472 1.318,473 0.79,474 0.891,475 1.119,476 1.182,477 0.817,478 1.227,479 0.904,480 0.475,481 0.824,482 0.644,483 1.22,484 0.743,485 4,487 2.667,488 1.875,489 1.752,490 0.729,491 0.354,495 1765,496 4961,497 1.895,498 48.5,499 6,500 8,502 1,505 1,507 1.581,508 1.672,509 2.552,510 -0.634,512 1,514 1,515 54.411,516 1.649,517 3.026,518 3.983,519 4.165,520 4.165,521 4.165,522 1.904,523 3.852,524 4.059,525 2.637,526 358.699,527 6.92,528 3189.92,530 1,533 166.465,534 1.484,535 3.947,536 0.222,538 0.099,539 0.065,540 0.065,541 0.036,542 0.032,546 0.519,547 0.67,548 1,549 1.252,550 67.556,551 -0.032,552 -0.703,553 0.073,554 -0.323,555 -0.037,556 -0.137,557 0.242,558 0.409,559 0.285,560 0.358,561 0.09,562 0.334,563 0.129,564 -0.398,565 0.084,566 -0.354,567 0.03,568 -0.176,569 0.013,570 0.187,571 0.097,572 0.235,573 0.092,574 0.197,575 -0.285,576 -0.074,577 -0.424,578 -0.239,579 -0.134,580 -0.339,581 -0.371,582 0.019,583 -0.535,584 -0.195,585 -0.278,586 -0.372,587 -0.038,588 -0.124,589 -0.166,590 -0.224,591 -0.028,592 -0.224,593 0.014,594 0.02,595 0.205,596 0.203,597 -0.113,598 0.226,599 1.977,600 5.025,601 0.529,602 9.308,603 1.011,604 1.149,605 1.648,606 2.717,607 0.621,608 2.944,609 3.332,610 3.638,611 3.932,612 4.111,613 4.159,614 4.094,615 3.912,616 3.466,617 2.833,618 3.749,619 0.596,620 236.31,621 2.944,622 4.511,623 5.389,624 6.308,625 7.215,626 8.138,627 9.054,628 9.978,629 10.898,630 11.822,631 12.1,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 33,649 7,651 18,652 34,653 11,654 3,657 1,659 2,660 3,662 1,663 2,670 5,671 6,672 1,673 2,676 2,678 2,680 1,681 16,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 4,715 17,719 1,722 1,723 2,729 6.1,732 2,735 10.167,736 7.3,737 3.694,738 1.975,739 1.177,740 1.193,741 0.919,742 2.957,743 7.268,744 3.157,745 3.72,746 4.268,747 4.798,748 5.05,749 5.306,750 5.417,751 5.383,752 5.198,753 4.611,754 0.75,755 29,756 6.312,758 2.674,759 8,760 11.771,762 9.389,764 2.5,765 42.5,766 0.001,769 188.338,770 59.233,771 24.933,773 50.29,775 59.233,776 238.627,777 24.933,778 34.443,779 8.354,781 92.17,782 1.899,783 9.36,784 176.567,786 188.338,787 84.166,788 50.29,790 176.567,791 62.061,793 36.522,794 30.858,795 16.786,797 188.338,798 75.223,799 59.233,801 188.338,802 16.171,803 51.209,805 67.075,806 188.338,807 75.223,808 59.233,809 0.603,810 0.361,811 0.2,812 0.113,813 14,814 8,815 0.059,816 2,817 1,818 1.222,819 2.678,820 122.818,821 0.222,822 9,823 67.487,825 12.115,826 4.148,827 1.844,829 73.324,830 1.558,831 4.147,833 0.932,834 1.647,836 322.793,837 22.5,840 23.983,842 -0.611,843 33.363,844 37.903,845 0.327,846 0.6,847 0.79,848 0.826,849 0.826,850 0.826,851 4.446,852 0.287,853 5.442,854 1.39,855 4.007,856 4.401,857 2.197,858 6.354,859 3.907,860 5.673,861 -0.458,862 7.081,863 0.633,864 3.892,865 4.425,866 1.404,867 7.469,868 3.754,869 7.007,870 -0.836,871 8.819,872 -1.129,873 5.7,874 6.538,875 2.804,876 10.631,877 5.489,878 8.376,879 -1,880 10.612,881 -2,882 6.347,883 7.373,884 2.647,885 12.536,886 6.095,887 9.78,888 -1.25,889 12.439,890 -2.193,891 7.724,892 9.035,893 3.665,894 15.26,895 7.403,896 11.208,897 -1.379,898 14.291,899 -3.104,900 8.691,901 10.22,902 3.851,903 17.492,904 8.324,905 12.655,906 -1.479,907 16.159,908 -3.816,909 9.935,910 11.732,911 4.661,912 20.066,913 9.505,914 3.355,915 -1.712,916 18.042,917 -4.505,918 11.038,919 13.066,920 5.029,921 22.441,922 10.558,923 2.628,924 12.041,925 19.935,926 -5.457,927 12.244,928 14.528,929 5.726,930 24.96,931 11.707,932 2.445,933 8.784,934 21.838,935 4.236,936 13.404,937 15.924,938 6.188,939 27.398,940 12.816,941 2.01,942 7.929,943 23.747,944 3.192,945 14.604,946 17.371,947 6.825,948 29.897,949 13.96,950 1.633,951 5.01,952 25.662,953 2.794,954 15.79,955 18.794,956 7.336,957 32.363,958 15.094,959 1.037,960 4.668,961 27.583,962 2.166,963 16.991,964 20.237,965 7.94,966 34.855,967 16.241,968 0.52,969 2.698,970 29.508,971 2.104,972 18.189,973 21.67,974 8.477,975 37.333,976 17.385,977 1925,978 3340,979 10.868,980 20.5,981 28.781,982 30.378,983 30.421,984 27.905,985 27.83,986 33.793,987 6.869,988 86.305,989 26.5,990 5.579,991 5.872,992 6.321,993 5.377,994 5.355,995 6.929,996 3.071,997 20.041,998 5.068,999 11.233,1000 1.599,1001 1.688,1002 1.69,1003 1.55,1004 1.546,1005 1.877,1006 0.382,1007 4.795,1008 1.472,1009 4.032,1010 4.084,1011 4.005,1012 3.819,1013 7.444,1014 3.859,1015 3.683,1016 3.754,1017 3.546,1018 3.532,1019 7.411,1020 3.521,1021 3.513,1022 3.581,1023 3.417,1024 3.232,1025 4.893,1026 3.272,1027 3.147,1028 3.239,1029 3.033,1030 2.875,1031 4.242,1032 2.889,1033 2.97,1034 3.042,1035 2.791,1036 2.708,1037 4.011,1038 2.717,1039 2.874,1040 3.009,1041 2.635,1042 2.618,1043 3.874,1044 2.581,1045 2.857,1046 2.919,1047 2.499,1048 2.573,1049 3.55,1050 2.57,1051 2.687,1052 2.738,1053 2.451,1054 2.379,1055 3.467,1056 2.392,1057 0.257,1058 0.221,1059 0.392,1060 0.239,1061 0.186,1062 4.629,1063 0.235,1064 3.983,1065 0.098,1066 7.058,1067 0.669,1068 4.304,1069 0.177,1070 3.355,1071 4.236,1072 1.761,1073 12.041,1074 3.18,1075 1.785,1076 1.735,1077 1.984,1078 2.006,1079 1.248,1080 1.983,1081 1.638,1082 1.578,1083 1.81,1084 1.851,1085 0.922,1086 1.857,1087 1.448,1088 1.366,1089 1.684,1090 1.733,1091 0.731,1092 1.722,1093 1.192,1094 1.103,1095 1.471,1096 1.46,1097 0.585,1098 1.472,1099 0.934,1100 0.867,1101 1.417,1102 1.239,1103 0.469,1104 1.308,1105 0.923,1106 0.804,1107 1.213,1108 1.211,1109 0.344,1110 1.204,1111 0.843,1112 0.745,1113 1.185,1114 1.15,1115 0.171,1116 1.169,1117 0.612,1118 0.561,1119 0.753,1120 0.965,1122 0.918,1123 3.611,1125 4.977,1126 2.398,1127 6.538,1128 4.727,1129 8.204,1130 6.843,1131 9.934,1132 7.285,1136 0.556,1139 0.315,1140 2.688,1144 19.676,1145 54.411,1146 99.862,1147 131.445,1148 137.445,1149 137.445,1150 137.445,1151 34.323,1152 6.091,1153 61.82,1154 61.82,1155 11,1156 12.328,1157 3,1158 2.459,1159 28.044,1160 39,1161 35,1162 0.399,1163 124.959,1164 214.26,1165 296.661,1166 2463,1168 12.74,1169 0.749,1170 0.616,1171 12.74,1172 10.467,1173 7.93,1174 0.441,1175 0.308,1176 5.409,1177 7.454,1178 5.127,1179 4.378,1180 7.93,1181 5.54,1182 7.667,1183 0.284,1184 0.173,1185 7.667,1186 4.679,1187 6.341,1188 0.171,1189 0.074,1190 6.341,1191 2.746,1192 5.213,1193 0.104,1194 0.038,1195 5.213,1196 1.909,1197 3.999,1198 0.067,1199 0.021,1200 3.999,1201 1.266,1202 0.571,1203 51.01,1204 0.303,1205 16.307,1206 1.279,1207 90,1208 300.052,1209 103.67,1210 283.466,1211 381,1212 262,1213 109,1214 281.245,1215 125.114,1216 283.952,1217 420.53,1218 262,1219 5.155} {0 CHEMBL25223,1 1.607,2 7.15,3 2.837,4 8.05,5 75.458,6 7.22,7 0.238,8 3.722,9 3.858,10 3.258,11 3.163,12 4.851,13 3.157,14 4.284,15 4.501,16 3.612,17 3.526,18 5.333,19 3.497,20 4.488,21 4.71,22 3.772,23 3.67,24 5.591,25 3.647,26 4.599,27 4.81,28 3.857,29 3.7,30 5.983,31 3.708,32 4.508,33 4.686,34 3.667,35 3.678,36 5.821,37 3.651,38 4.558,39 4.781,40 3.361,41 3.64,42 5.717,43 3.537,44 4.46,45 4.735,46 2.985,47 3.512,48 5.421,49 3.325,50 4.291,51 4.613,52 2.408,53 3.227,54 5.229,55 2.95,56 0.023,57 0.579,58 8.048,59 2.91,60 9.182,61 4.359,62 0.363,63 0.883,64 16.131,65 4.659,66 20.48,67 7.309,68 0.259,69 1.01,70 19.999,71 6.047,72 30.505,73 9.252,74 0.655,75 1.057,76 23.419,77 5.53,78 94.077,79 8.569,80 0.42,81 1.002,82 20.439,83 5.512,84 61.985,85 8.031,86 0.464,87 0.962,88 22.419,89 6.237,90 83.392,91 9.192,92 0.309,93 0.823,94 20.602,95 6.68,96 51.856,97 10.031,98 0.23,99 0.616,100 18.069,101 6.061,102 60.336,103 9.289,104 44,105 29,106 0.292,107 0.599,108 0.764,109 0.774,110 0.802,111 0.831,112 3.06,113 0.967,114 -3.61,115 -3.58,116 -3.41,117 36.8,118 2,119 2,123 3,128 1,129 1,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 3,161 3,162 3,170 5,171 7,182 1,183 12,193 7,201 1,203 3,210 4,212 1,219 5,229 2,231 434,232 13.629,233 13.629,234 13.629,235 13.629,236 13.629,237 12.652,238 20.976,239 8.244,240 13.957,241 10.22,242 10.22,243 10.22,244 10.22,245 10.22,246 8.52,247 29.216,248 3.581,249 10.751,250 3.641,251 1.947,252 1.04,253 0.987,254 0.829,255 0.671,256 3.711,260 1,261 1,262 286,263 3.082,265 41.524,266 49.294,269 76.505,270 0.895,271 26.727,272 1,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 44,282 143,283 4.643,284 3.995,285 7.09,286 4.318,287 3.37,288 4.25,289 1.761,290 12.216,291 3.193,292 3.962,293 3.415,294 6.246,295 3.614,296 2.676,297 3.23,298 1.083,299 9.113,300 2.503,301 3.633,302 3.024,303 6.001,304 3.38,305 2.437,306 2.797,307 0.769,308 8.269,309 2.291,310 3.484,311 2.586,312 5.026,313 2.783,314 1.812,315 2.339,316 0.526,317 5.398,318 1.745,319 3.033,320 1.956,321 4.199,322 2.371,323 1.4,324 1.754,325 0.064,326 3.334,327 1.354,328 2.589,329 1.929,330 3.824,331 2.277,332 1.275,333 1.536,335 2.479,336 1.271,337 2.397,338 1.392,339 3.451,340 2.011,341 1.039,342 1.345,343 1.936,344 1.008,345 2.251,346 1.042,347 3.196,348 1.787,349 0.84,350 1.115,351 1.681,352 0.791,353 1.662,354 0.94,355 2.902,356 1.369,357 0.366,358 0.447,359 0.715,360 0.362,361 1.559,362 0.797,363 2.689,364 1.214,365 0.195,366 0.237,367 0.344,368 0.195,369 1.207,370 -0.08,371 2,372 0.604,373 -0.362,374 -0.494,376 -0.609,377 -0.347,378 0.472,379 -0.303,380 2,381 0.221,382 -0.758,383 -0.836,385 -1.313,386 -0.735,387 0.379,388 -0.414,389 1.879,390 0.203,391 -0.813,392 -0.989,394 -1.416,395 -0.816,396 0.152,397 -0.732,398 1.68,399 -0.118,400 -1.115,401 -1.529,403 -2.49,404 -1.111,405 -0.028,406 -0.843,407 1.651,408 -0.462,409 -1.442,410 -1.857,412 -4.196,413 -1.37,414 9.267,415 0.463,416 0.435,417 0.022,418 23.25,419 1.163,420 9.5,421 0.475,422 13.75,423 0.688,424 16.624,425 0.831,426 22.533,427 0.593,428 17.086,429 0.854,430 4.425,431 0.221,432 5.225,433 0.261,434 0.234,436 0.345,437 0.702,438 1.861,439 0.79,440 1.387,441 0.54,442 1.14,443 0.605,444 0.997,445 0.783,446 0.87,447 0.517,448 0.847,449 0.784,450 1.206,451 0.672,452 1.027,453 0.821,454 0.853,455 1.442,456 0.886,457 0.947,458 0.726,459 1.381,460 0.73,461 1.791,462 1.19,463 1.373,464 1.133,465 1.688,466 1.168,467 1.685,468 0.986,469 1.475,470 1.079,471 1.569,472 1.221,473 0.9,474 0.894,475 1.189,476 1.121,477 0.842,478 1.2,479 0.527,480 0.838,481 0.977,482 1.095,483 0.676,484 1.129,485 3,487 2.667,488 2.125,489 1.997,490 0.924,491 0.456,492 0.194,493 0.049,495 2814,496 7978,497 1.938,498 47.4,499 6,500 6,501 1,502 1,505 4,507 1.63,508 1.765,509 2.816,510 -0.689,512 1,514 1,515 61.06,516 1.607,517 3.301,518 4.208,519 4.261,520 4.419,521 4.577,522 2.121,523 4.022,524 4.285,525 2.911,526 553.126,527 7.388,528 5519.02,529 1,530 1,531 1,532 1,533 199.421,534 1.559,535 4.219,536 0.143,538 0.092,539 0.063,540 0.055,541 0.032,542 0.023,543 0.015,544 0.008,546 0.431,547 0.5,548 1,549 1.537,550 85.768,551 -0.019,552 -0.565,553 0.065,554 -0.258,555 -0.008,556 -0.112,557 0.27,558 0.155,559 0.164,560 0.095,561 0.059,562 0.102,563 0.148,564 -0.158,565 0.288,566 -0.031,567 0.025,568 0.128,569 0.048,570 0.16,571 0.093,572 0.171,573 0.095,574 0.153,575 -0.354,576 -0.08,577 -0.382,578 -0.168,579 -0.181,580 -0.261,581 -0.416,582 0.01,583 -0.483,584 -0.124,585 -0.22,586 -0.289,587 -0.125,588 0.003,589 -0.238,590 -0.122,591 -0.046,592 -0.189,593 0.056,594 -0.072,595 -0.021,596 -0.096,597 0.036,598 -0.079,599 1.98,600 5.473,601 0.45,602 14.07,603 1.007,604 1.14,605 2.379,606 5.659,607 0.638,608 3.091,609 3.401,610 3.761,611 4.094,612 4.29,613 4.407,614 4.431,615 4.369,616 4.111,617 3.689,618 4.381,619 0.611,620 274.36,621 3.091,622 4.615,623 5.493,624 6.402,625 7.314,626 8.237,627 9.16,628 10.087,629 11.013,630 11.942,631 10.5,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 38,649 8,651 21,652 39,653 14,654 3,657 1,659 2,660 3,662 1,663 2,668 2,669 2,670 5,671 7,673 2,676 2,678 2,679 1,680 1,681 18,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,702 1,703 1,711 1,713 2,715 20,719 5,723 2,725 1,726 1,727 1,729 5.3,732 2,735 11.333,736 7.55,737 4.778,738 2.65,739 1.359,740 1.211,741 0.93,742 4.462,743 7.793,744 3.35,745 3.812,746 4.374,747 4.958,748 5.26,749 5.604,750 5.789,751 5.892,752 5.911,753 5.53,754 0.8,755 34,756 7.431,758 3.105,759 7.983,760 13.889,762 10.932,764 2.483,765 49.667,769 211.88,770 92.072,771 24.933,773 50.29,775 92.072,776 262.17,777 24.933,778 17.65,779 17.635,781 92.17,782 1.899,783 61.483,784 188.338,786 211.88,787 117.005,788 50.29,790 164.795,791 97.374,793 45.803,794 37.386,795 33.816,797 211.88,798 75.223,799 92.072,801 211.88,802 25.451,803 34.417,804 17.031,805 90.397,806 211.88,807 75.223,808 92.072,809 0.554,810 0.357,811 0.226,812 0.131,813 13,814 7,815 0.128,816 5,817 1,818 1.222,819 2.99,820 151.661,821 0.222,822 9,823 86.439,825 14.613,826 6.106,827 2.471,829 73.324,830 1.522,831 4.196,833 0.828,834 1.62,836 379.175,837 27.5,840 24.86,842 -0.607,843 38.247,844 43.318,845 0.306,846 0.629,847 0.802,848 0.812,849 0.842,850 0.872,851 4.608,852 0.84,853 5.493,854 1.936,855 4.078,856 4.494,857 2.321,858 6.402,859 3.977,860 5.805,861 0.366,862 7.114,863 1.681,864 3.761,865 4.35,866 1.404,867 7.522,868 3.603,869 7.122,870 0.195,871 8.846,872 0.715,873 5.74,874 6.594,875 2.846,876 10.71,877 5.515,878 8.479,879 -0.362,880 10.642,881 0.344,882 6.312,883 7.368,884 2.647,885 12.646,886 6.035,887 9.873,888 -0.758,889 12.476,890 -0.609,891 7.76,892 9.076,893 3.675,894 15.368,895 7.419,896 11.294,897 -0.813,898 14.335,899 -1.313,900 8.705,901 10.242,902 3.851,903 17.625,904 8.316,905 12.736,906 -1.115,907 16.211,908 -1.416,909 9.977,910 11.77,911 4.663,912 20.199,913 9.529,914 3.37,915 -1.442,916 18.101,917 -2.49,918 11.077,919 13.099,920 5.029,921 22.592,922 10.58,923 2.676,924 12.216,925 20,926 -4.196,927 12.295,928 14.568,929 5.727,930 25.117,931 11.742,932 2.437,933 9.113,934 21.908,935 4.25,936 13.458,937 15.964,938 6.188,939 27.571,940 12.855,941 1.812,942 8.269,943 23.822,944 3.23,945 14.664,946 17.415,947 6.825,948 30.079,949 14.007,950 1.4,951 5.398,952 25.741,953 2.797,954 15.853,955 18.839,956 7.336,957 32.559,958 15.145,959 1.275,960 3.334,961 27.666,962 2.339,963 17.059,964 20.285,965 7.94,966 35.062,967 16.297,968 1.039,969 2.479,970 29.594,971 1.754,972 18.26,973 21.721,974 8.477,975 37.554,976 17.446,977 3038,978 5229,979 13.235,980 24.262,981 32.232,982 33.509,983 34.161,984 30.915,985 30.817,986 38.1,987 8.407,988 90.967,989 29.429,990 5.593,991 5.89,992 6.857,993 5.394,994 5.37,995 6.954,996 3.071,997 20.216,998 5.083,999 11.897,1000 1.535,1001 1.596,1002 1.627,1003 1.472,1004 1.467,1005 1.814,1006 0.4,1007 4.332,1008 1.401,1009 4.041,1010 4.092,1011 4.016,1012 3.834,1013 7.444,1014 3.874,1015 3.669,1016 3.737,1017 3.571,1018 3.483,1019 7.411,1020 3.487,1021 3.591,1022 3.67,1023 3.415,1024 3.429,1025 5.433,1026 3.412,1027 3.41,1028 3.466,1029 3.275,1030 3.287,1031 4.863,1032 3.279,1033 3.242,1034 3.295,1035 3.139,1036 3.007,1037 4.167,1038 3.041,1039 3.053,1040 3.112,1041 2.972,1042 2.764,1043 4.111,1044 2.799,1045 2.782,1046 2.846,1047 2.582,1048 2.517,1049 3.717,1050 2.521,1051 2.695,1052 2.772,1053 2.417,1054 2.401,1055 3.617,1056 2.395,1057 0.221,1058 0.19,1059 0.338,1060 0.206,1061 0.16,1062 4.643,1063 0.202,1064 3.995,1065 0.084,1066 7.09,1067 0.582,1068 4.318,1069 0.152,1070 3.37,1071 4.25,1072 1.761,1073 12.216,1074 3.193,1075 1.788,1076 1.742,1077 1.955,1078 2.012,1079 1.204,1080 1.984,1081 1.621,1082 1.556,1083 1.904,1084 1.83,1085 1.155,1086 1.849,1087 1.604,1088 1.531,1089 1.79,1090 1.803,1091 0.936,1092 1.815,1093 1.416,1094 1.36,1095 1.59,1096 1.637,1097 0.669,1098 1.639,1099 1.163,1100 1.105,1101 1.368,1102 1.375,1103 0.51,1104 1.372,1105 0.984,1106 0.918,1107 1.297,1108 1.241,1109 0.361,1110 1.271,1111 0.923,1112 0.839,1113 1.233,1114 1.211,1115 0.178,1116 1.208,1117 0.646,1118 0.573,1119 0.949,1120 0.987,1122 0.968,1123 3.761,1125 5.069,1126 2.398,1127 6.605,1128 4.727,1129 8.267,1130 6.862,1131 10.001,1132 3.908,1136 2.713,1140 2.825,1142 5.308,1143 2.494,1144 23.203,1145 61.06,1146 125.421,1147 159.911,1148 161.911,1149 167.911,1150 173.911,1151 46.383,1152 6.435,1153 61.82,1154 61.82,1155 11,1156 12.446,1157 3.17,1158 2.907,1159 35.915,1160 53,1161 57,1162 0.369,1163 147.882,1164 260.88,1165 352.591,1166 3859,1168 14.698,1169 0.735,1170 0.59,1171 14.698,1172 11.796,1173 9.651,1174 0.46,1175 0.322,1176 6.65,1177 9.185,1178 6.462,1179 5.454,1180 9.651,1181 6.771,1182 7.991,1183 0.276,1184 0.16,1185 7.991,1186 4.64,1187 6.996,1188 0.167,1189 0.075,1190 6.996,1191 3.14,1192 6.308,1193 0.107,1194 0.039,1195 6.308,1196 2.303,1197 4.882,1198 0.068,1199 0.021,1200 4.882,1201 1.511,1202 0.537,1203 61.162,1204 0.275,1205 19.175,1206 1.146,1207 100,1208 330.052,1209 114.336,1210 314.977,1211 424.34,1212 292,1213 121,1214 311.949,1215 137.613,1216 312.307,1217 465.66,1218 292,1219 6.398} {0 CHEMBL25303,1 1.845,2 5.467,3 -0.845,4 0.714,5 50.729,6 8.409,7 0.313,8 3.383,9 3.503,10 3.023,11 2.713,12 4.646,13 2.786,14 3.901,15 4.085,16 3.399,17 3.095,18 5.162,19 3.148,20 4.051,21 4.222,22 3.506,23 3.191,24 5.41,25 3.247,26 4.14,27 4.303,28 3.452,29 3.12,30 5.765,31 3.197,32 3.963,33 4.137,34 3.005,35 2.931,36 5.565,37 2.896,38 3.813,39 4.098,40 2.279,41 2.551,42 4.956,43 2.414,44 3.247,45 3.553,46 1.633,47 1.871,48 4.415,49 1.726,50 2.262,51 2.637,52 0.29,53 0.979,54 2.89,55 0.726,56 0.164,57 0.383,58 4.391,59 1.395,60 16.966,61 2.12,62 0.431,63 0.564,64 9.545,65 2.421,66 30.743,67 3.648,68 0.453,69 0.593,70 11.077,71 3.18,72 47.276,73 4.632,74 0.735,75 0.54,76 13.046,77 2.64,78 102.739,79 3.705,80 0.61,81 0.412,82 10.816,83 2.908,84 83.815,85 4.13,86 0.512,87 0.263,88 12.596,89 2.518,90 69.159,91 4.231,92 0.316,93 0.118,94 7.622,95 1.301,96 38.064,97 2.341,98 0.104,99 0.035,100 3.138,101 0.498,102 13.107,103 1.029,104 19,105 23,106 0.374,107 0.75,108 0.871,109 0.871,110 0.871,111 0.871,112 2.798,113 0.826,114 -1.21,115 -1.3,116 -1.37,117 32,122 1,123 2,134 1,138 1,140 1,141 1,142 1,152 5,155 1,164 4,170 5,186 4,197 1,206 1,231 163,232 9.975,233 9.975,234 9.975,235 9.975,236 9.975,237 9.205,238 12.317,239 5.776,240 10.309,241 7.785,242 7.785,243 7.785,244 7.785,245 7.785,246 6.452,247 15.533,248 2.573,249 8.284,250 2.799,251 0.946,252 0.35,253 0.35,254 0.35,255 0.35,256 3.433,262 169,263 2.236,265 28.944,266 33.5,269 52.361,270 0.898,271 26.325,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 35,282 82,283 4.554,284 3.978,285 6.947,286 4.251,287 3.299,288 4.09,289 1.761,290 11.592,291 3.135,292 3.802,293 3.382,294 6.023,295 3.433,296 2.492,297 3.094,298 1.083,299 8.361,300 2.346,301 3.582,302 2.842,303 5.853,304 3.301,305 2.335,306 2.743,307 0.526,308 7.582,309 2.233,310 2.686,311 2.01,312 4.116,313 2.32,314 1.377,315 1.724,316 0.064,317 3.093,318 1.288,319 2.474,320 1.774,321 3.871,322 2.094,323 1.152,324 1.424,326 2.651,327 1.074,328 2.221,329 1.339,330 3.339,331 1.72,332 0.793,333 1.061,335 1.799,336 0.727,337 1.809,338 1.031,339 3.192,340 1.42,341 0.443,342 0.574,343 1.031,344 0.428,345 1.543,346 0.775,347 2.612,348 1.124,349 0.14,350 0.175,351 0.256,352 0.133,353 0.414,354 -0.083,355 2,356 0.13,357 -0.811,358 -0.893,359 -1.404,360 -0.753,361 0.276,362 -0.437,363 1.781,364 -0.032,365 -1,366 -1.212,367 -2.383,368 -0.952,369 -0.051,370 -0.831,371 1.517,372 -0.388,373 -1.369,374 -1.708,376 -3.549,377 -1.326,378 -0.106,379 -1.035,380 1.453,381 -0.513,382 -1.476,383 -1.87,385 -4.238,386 -1.436,387 -0.35,388 -1.478,389 1.306,390 -0.695,391 -1.645,392 -2,393 -0.4,394 -4.79,395 -1.582,396 -0.582,397 -1.55,398 1.223,399 -0.858,400 -1.779,401 -2.034,402 -0.66,403 -5.753,404 -1.645,405 -0.829,406 -1.77,407 0.526,408 -1.032,409 -1.952,410 -2.491,411 -1.065,412 -6.247,413 -1.78,414 6.6,415 0.44,416 0.422,417 0.028,418 18.75,419 1.25,420 7.5,421 0.5,422 11.25,423 0.75,424 9.235,425 0.616,426 17.4,427 0.696,428 13.031,429 0.869,430 3.993,431 0.266,432 3.171,433 0.211,434 0.227,436 0.424,437 0.892,438 2.027,439 0.705,440 1.386,441 0.675,442 1.027,443 0.728,444 0.87,445 0.732,446 0.699,447 0.677,448 0.695,449 0.836,450 1.269,451 0.71,452 1.175,453 0.901,454 0.943,455 1.42,456 0.896,457 1.208,458 0.881,459 1.502,460 0.948,461 1.002,462 1.112,463 1.399,464 1.436,465 1.044,466 1.544,467 1.069,468 0.674,469 1.149,470 0.88,471 1.154,472 1.037,473 1.073,474 0.474,475 1.069,476 0.676,477 0.893,478 0.86,479 0.642,480 0.22,481 0.723,482 0.331,483 0.514,484 0.523,485 2.5,487 2.444,488 1.556,489 1.472,490 0.306,491 0.096,492 0.041,495 1299,496 5163,497 1.955,498 40,500 7,502 1,503 2,507 1.541,508 1.765,509 2.488,510 0.691,515 46.122,516 1.845,517 3.698,518 4.294,519 4.294,520 4.294,521 4.294,522 1.966,523 3.64,524 3.879,525 2.534,526 266.121,527 6.547,528 2154.04,533 116.096,534 1.566,535 3.796,536 0.156,538 0.106,539 0.062,540 0.067,541 0.025,542 0.019,543 0.02,546 0.457,547 0.67,548 1,549 1.29,550 56.427,551 -0.201,552 -0.698,553 0.012,554 -0.252,555 -0.097,556 -0.078,557 0.062,558 0.306,559 0.119,560 0.273,561 -0.031,562 0.22,563 0.027,564 -0.172,565 0.165,566 -0.129,567 -0.04,568 0.031,569 -0.22,570 0.099,571 -0.265,572 0.006,573 -0.11,574 -0.111,575 0.058,576 -0.146,577 -0.469,578 -0.447,579 0.11,580 -0.607,581 -0.088,582 -0.018,583 -0.014,584 0.018,585 -0.142,586 0.02,587 -0.018,588 0.066,589 0.148,590 0.146,591 -0.035,592 0.191,593 0.158,594 0.172,595 0.597,596 0.483,597 0.086,598 0.665,599 2.145,600 4.72,601 0.6,602 7.342,603 1.042,604 1.155,605 -0.023,606 0.001,607 0.627,608 2.833,609 3.178,610 3.526,611 3.784,612 3.892,613 3.892,614 3.761,615 3.638,616 3.091,617 2.303,618 3.468,619 0.632,620 210.22,621 2.833,622 4.369,623 5.252,624 6.155,625 7.059,626 7.967,627 8.876,628 9.786,629 10.697,630 11.607,631 16,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 25,649 7,651 16,652 26,653 8,654 3,657 1,659 2,660 3,662 1,663 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 6,683 2,684 7,686 1,687 4,688 1,689 0.5,690 3,691 1,698 1,699 1,709 1,711 1,713 1,715 15,718 1,719 2,723 2,729 12,730 1,732 2,735 8.5,736 4.717,737 3.417,738 1.321,739 1.185,740 1.203,741 0.908,742 2.46,743 7.023,744 3.068,745 3.59,746 4.165,747 4.662,748 4.836,749 5.075,750 5.104,751 5.191,752 4.944,753 4.123,754 0.75,755 25,756 5.547,757 -0.001,758 2.409,759 8.378,760 9.934,762 7.846,764 2.878,765 43.167,766 0.001,769 94.169,770 33.186,771 39.82,773 92.973,775 33.186,776 187.142,777 39.82,778 8.396,779 8.354,780 42.683,781 92.17,782 16.786,783 9.36,784 82.398,786 94.169,787 73.006,788 92.973,790 94.169,791 50.29,792 42.683,793 33.758,794 22.462,795 16.786,797 94.169,798 132.793,799 33.186,801 94.169,802 16.171,803 23.264,804 16.786,805 109.759,806 94.169,807 132.793,808 33.186,809 0.582,810 0.378,811 0.213,812 0.107,813 12,814 6,815 0.077,816 2,817 1,818 1.222,819 2.57,820 101.339,821 0.222,822 9,823 58.603,825 10.139,826 3.64,827 1.421,829 116.007,830 1.356,831 3.873,832 2.669,833 0.588,835 59.469,836 260.148,837 20.5,840 23.372,842 -0.937,843 26.04,844 28.867,845 0.397,846 0.796,847 0.925,848 0.925,849 0.925,850 0.925,851 4.321,852 0.14,853 5.273,854 1.031,855 3.85,856 4.27,857 2.197,858 6.176,859 3.74,860 5.521,861 -0.811,862 6.903,863 0.256,864 3.611,865 4.159,866 1.404,867 7.273,868 3.476,869 6.842,870 -1,871 8.639,872 -1.404,873 5.525,874 6.38,875 2.804,876 10.439,877 5.308,878 8.204,879 -1.369,880 10.433,881 -2.383,882 6.133,883 7.143,884 2.647,885 12.313,886 5.888,887 9.604,888 -1.476,889 12.262,890 -3.549,891 7.544,892 8.829,893 3.665,894 15.021,895 7.227,896 11.028,897 -1.645,898 14.113,899 -4.238,900 8.494,901 9.957,902 3.851,903 17.205,904 8.141,905 12.47,906 -1.779,907 15.978,908 -4.79,909 9.744,910 11.46,911 4.661,912 19.76,913 9.329,914 3.299,915 -1.952,916 17.855,917 -5.753,918 10.835,919 12.745,920 5.029,921 22.086,922 10.378,923 2.492,924 11.592,925 19.741,926 -6.247,927 12.037,928 14.183,929 5.726,930 24.58,931 11.524,932 2.335,933 8.361,934 21.633,935 4.09,936 13.186,937 15.536,938 6.188,939 26.972,940 12.626,941 1.377,942 7.582,943 23.531,944 3.094,945 14.376,946 16.953,947 6.825,948 29.442,949 13.763,950 1.152,951 3.093,952 25.434,953 2.743,954 15.549,955 18.336,956 7.336,957 31.864,958 14.887,959 0.793,960 2.651,961 27.341,962 1.724,963 16.738,964 19.746,965 7.94,966 34.323,967 16.025,968 0.443,969 1.799,970 29.253,971 1.424,972 17.921,973 21.142,974 8.477,975 36.76,976 17.159,977 1411,978 2868,979 10.057,980 15.671,981 24.843,982 26.202,983 26.431,984 24.124,985 24.062,986 29.77,987 6.869,988 72.729,989 22.727,990 5.498,991 5.865,992 6.706,993 5.325,994 5.299,995 6.767,996 3.071,997 19.592,998 5.024,999 8.288,1000 1.553,1001 1.638,1002 1.652,1003 1.508,1004 1.504,1005 1.861,1006 0.429,1007 4.546,1008 1.42,1009 4.005,1010 4.058,1011 3.979,1012 3.782,1013 7.444,1014 3.826,1015 3.583,1016 3.648,1017 3.492,1018 3.334,1019 7.411,1020 3.358,1021 3.353,1022 3.431,1023 3.222,1024 3.072,1025 6.456,1026 3.096,1027 3.123,1028 3.163,1029 3.025,1030 2.814,1031 4.947,1032 2.857,1033 2.811,1034 2.818,1035 2.676,1036 2.483,1037 4.036,1038 2.531,1039 2.508,1040 2.596,1041 2.259,1042 2.162,1043 3.805,1044 2.169,1045 2.341,1046 2.436,1047 2.19,1048 1.992,1049 3.507,1050 2.021,1051 2.097,1052 2.194,1053 1.941,1054 1.698,1055 3.156,1056 1.752,1057 0.285,1058 0.249,1059 0.434,1060 0.266,1061 0.206,1062 4.554,1063 0.256,1064 3.978,1065 0.11,1066 6.947,1067 0.725,1068 4.251,1069 0.196,1070 3.299,1071 4.09,1072 1.761,1073 11.592,1074 3.135,1075 1.733,1076 1.692,1077 1.848,1078 1.984,1079 1.053,1080 1.94,1081 1.412,1082 1.346,1083 1.677,1084 1.68,1085 0.807,1086 1.678,1087 1.364,1088 1.28,1089 1.555,1090 1.674,1091 0.558,1092 1.648,1093 1.079,1094 0.998,1095 1.336,1096 1.361,1097 0.299,1098 1.364,1099 0.826,1100 0.794,1101 1.021,1102 1.172,1103 0.108,1104 1.113,1105 0.517,1106 0.495,1107 0.751,1108 0.924,1110 0.86,1111 0.332,1112 0.249,1113 0.561,1114 0.783,1116 0.74,1119 0.467,1120 0.382,1122 0.427,1123 3.497,1125 4.828,1126 2.398,1127 6.382,1128 4.595,1129 8.05,1130 6.629,1131 9.78,1132 1.527,1135 8.748,1136 -0.269,1140 2.239,1144 15.81,1145 46.122,1146 92.445,1147 107.342,1148 107.342,1149 107.342,1150 107.342,1151 30.017,1152 5.838,1153 92.91,1154 92.91,1155 11,1156 12.122,1157 3,1158 2.459,1159 23.317,1160 33,1161 33,1162 0.41,1163 100.179,1164 171.15,1165 236.196,1166 1809,1168 11,1169 0.733,1170 0.54,1171 11,1172 8.097,1173 7.164,1174 0.448,1175 0.275,1176 4.264,1177 6.63,1178 4.192,1179 3.459,1180 7.164,1181 4.403,1182 6.288,1183 0.273,1184 0.136,1185 6.288,1186 3.123,1187 5.778,1188 0.175,1189 0.068,1190 5.778,1191 2.237,1192 4.758,1193 0.111,1194 0.035,1195 4.758,1196 1.489,1197 3.394,1198 0.071,1199 0.018,1200 3.394,1201 0.844,1202 0.583,1203 46.913,1204 0.315,1205 14.538,1206 1.321,1207 78,1208 314.889,1209 92.749,1210 291.463,1211 384.2,1212 270,1213 95,1214 271.915,1215 111,1216 270.056,1217 401.38,1218 252,1219 4.301} {0 CHEMBL25373,1 1.791,2 7.842,3 -0.26,4 0.068,5 64.777,6 8.069,7 0.25,8 3.627,9 3.741,10 3.245,11 2.969,12 4.843,13 3.025,14 4.181,15 4.379,16 3.63,17 3.324,18 5.434,19 3.376,20 4.295,21 4.44,22 3.71,23 3.467,24 5.632,25 3.511,26 4.434,27 4.604,28 3.65,29 3.465,30 5.923,31 3.488,32 4.333,33 4.554,34 3.302,35 3.326,36 5.504,37 3.272,38 4.225,39 4.484,40 3.057,41 3.147,42 5.371,43 3.061,44 3.956,45 4.191,46 2.966,47 2.905,48 5.17,49 2.858,50 3.839,51 4.083,52 2.78,53 2.583,54 5.313,55 2.57,56 0.147,57 0.488,58 5.999,59 2.167,60 10.044,61 3.193,62 0.611,63 0.708,64 14.116,65 3.357,66 30.79,67 5.166,68 0.578,69 0.784,70 14.531,71 4.418,72 46.805,73 5.933,74 0.845,75 0.798,76 18.005,77 4.23,78 114.431,79 6.127,80 0.65,81 0.674,82 17.245,83 4.281,84 49.692,85 6.65,86 0.69,87 0.54,88 17.389,89 4.095,90 70.008,91 6.5,92 0.393,93 0.409,94 12.557,95 3.498,96 49.822,97 5.308,98 0.667,99 0.301,100 12.706,101 2.33,102 72.853,103 3.769,104 41,105 29,106 0.338,107 0.626,108 0.801,109 0.812,110 0.847,111 0.847,112 3.011,113 0.851,114 -2.1,115 -2.14,116 -2.13,117 33.3,118 1,122 2,123 2,134 1,138 1,140 2,141 1,142 1,152 7,153 2,161 4,170 5,182 3,183 1,192 3,202 1,203 1,211 4,212 3,231 426,232 12.173,233 12.173,234 12.173,235 12.173,236 12.173,237 11.196,238 18.421,239 6.939,240 12.618,241 9.766,242 9.766,243 9.766,244 9.766,245 9.766,246 8.029,247 23.117,248 3.23,249 10.4,250 3.253,251 1.723,252 0.796,253 0.735,254 0.553,255 0.553,256 3.655,261 1,262 301,263 3.082,265 39.361,266 47.147,269 73.078,270 1.235,271 31.712,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 44,282 149,283 4.63,284 3.976,285 7.045,286 4.296,287 3.347,288 4.245,289 2.443,290 11.971,291 3.174,292 3.921,293 3.627,294 6.169,295 3.577,296 2.64,297 3.193,298 1.761,299 8.721,300 2.468,301 3.578,302 3.403,303 5.864,304 3.288,305 2.342,306 2.754,307 1.083,308 7.634,309 2.208,310 3.547,311 2.955,312 5.031,313 3.187,314 2.223,315 2.708,316 0.526,317 5.468,318 2.114,319 3.118,320 2.346,321 4.647,322 2.748,323 1.778,324 2.246,325 0.286,326 5.082,327 1.705,328 2.44,329 1.806,330 3.975,331 2.052,332 1.125,333 1.418,334 0.064,335 2.704,336 1.035,337 2.189,338 1.663,339 3.625,340 1.865,341 0.939,342 1.101,343 2.174,344 0.861,345 1.911,346 1.231,347 3.283,348 1.468,349 0.466,350 0.627,351 1.17,352 0.46,353 1.736,354 1.031,355 2.923,356 1.289,357 0.276,358 0.349,359 0.607,360 0.272,361 1.043,362 0.554,363 2.286,364 0.737,365 -0.194,366 -0.221,367 -0.451,368 -0.178,369 0.512,370 0.142,371 2,372 0.122,373 -0.867,374 -0.978,376 -2,377 -0.822,378 0.326,379 -0.345,380 2,381 0.079,382 -1,383 -1.314,385 -2.148,386 -1.085,388 -0.447,389 1.702,390 -0.267,391 -1.253,392 -1.47,394 -3.062,395 -1.155,397 -0.66,398 1.41,399 -0.36,400 -1.284,401 -1.564,403 -3.508,404 -1.252,405 -0.126,406 -0.947,407 1.35,408 -0.474,409 -1.445,410 -1.78,411 -0.4,412 -4.028,413 -1.364,414 8.433,415 0.444,416 0.656,417 0.035,418 23,419 1.211,420 9,421 0.474,422 14,423 0.737,424 13.589,425 0.715,426 22.167,427 0.672,428 17.769,429 0.935,430 4.907,431 0.258,432 4.023,433 0.212,434 0.296,436 0.439,437 0.754,438 2.13,439 0.678,440 1.583,441 0.542,442 1.169,443 0.736,444 0.752,445 0.664,446 0.588,447 0.524,448 0.571,449 1.123,450 1.279,451 0.932,452 1.157,453 1.054,454 1.024,455 1.272,456 1.12,457 1.255,458 1.075,459 1.408,460 1.141,461 0.97,462 1.04,463 1.215,464 1.165,465 0.875,466 1.24,467 0.834,468 0.655,469 1.006,470 0.812,471 0.92,472 0.934,473 0.81,474 1.145,475 0.787,476 1.26,477 0.894,478 1.073,479 1.106,480 0.497,481 0.925,482 0.482,483 0.864,484 0.637,485 4,487 2.889,488 1.875,489 1.597,490 0.608,491 0.305,492 0.281,493 0.169,494 0.071,495 2735,496 10508,497 1.906,498 42.4,500 10,502 1,504 3,507 1.605,508 1.701,509 2.931,510 -0.569,512 1,515 59.108,516 1.791,517 3.321,518 4.248,519 4.309,520 4.491,521 4.491,522 2.484,523 4.037,524 4.212,525 3.087,526 527.833,527 7.19,528 5083.03,530 1,533 166.465,534 1.557,535 4.121,536 0.2,538 0.1,539 0.06,540 0.059,541 0.034,542 0.022,543 0.022,544 0.017,545 0.01,546 0.523,547 0.5,548 1,549 1.643,550 81.429,551 -0.087,552 -0.781,553 0.066,554 -0.407,555 -0.042,556 -0.168,557 0.143,558 0.376,559 0.259,560 0.349,561 0.094,562 0.349,563 -0.131,564 -0.14,565 -0.054,566 -0.093,567 -0.118,568 -0.069,569 -0.18,570 -0.058,571 -0.321,572 -0.134,573 -0.116,574 -0.252,575 -0.097,576 -0.049,577 -0.266,578 -0.21,579 -0.083,580 -0.274,581 0.059,582 0.192,583 0.021,584 0.12,585 -0.039,586 0.077,587 0.078,588 -0.302,589 0.219,590 -0.234,591 0.014,592 -0.008,593 0.183,594 0.188,595 0.219,596 0.346,597 0.232,598 0.299,599 2.095,600 5.061,601 0.474,602 13.856,603 1.034,604 1.149,605 0.867,606 0.752,607 0.626,608 3.045,609 3.401,610 3.689,611 3.932,612 4.094,613 4.19,614 4.159,615 4.143,616 3.97,617 3.638,618 4.742,619 0.624,620 266.29,621 3.045,622 4.595,623 5.46,624 6.358,625 7.251,626 8.16,627 9.065,628 9.98,629 10.892,630 11.81,631 12.1,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 33,649 8,651 20,652 34,653 11,654 3,657 1,659 2,660 3,662 1,663 1,670 6,671 5,673 3,676 3,678 3,680 1,681 14,682 7,684 8,686 1,687 4,688 1,689 0.5,690 4,698 1,699 1,706 1,711 1,713 3,715 19,719 2,721 1,723 2,729 12.1,732 3,734 1,735 11.167,736 7.05,737 4.194,738 1.808,739 1.293,740 1.205,741 0.913,742 3.688,743 7.612,744 3.277,745 3.812,746 4.322,747 4.823,748 5.085,749 5.387,750 5.515,751 5.642,752 5.611,753 5.251,754 1,755 31,756 7.028,758 2.973,759 8.281,760 12.701,762 9.815,764 2.781,765 52.833,769 164.795,770 62.191,771 24.933,773 86.435,775 62.191,776 251.23,777 24.933,778 25.618,779 12.947,781 124.506,782 12.899,783 9.36,784 153.024,786 164.795,787 87.124,788 86.435,790 164.795,791 86.435,793 32.29,794 38.049,795 16.786,797 164.795,798 111.368,799 62.191,801 164.795,802 27.955,803 42.384,805 103.22,806 164.795,807 111.368,808 62.191,809 0.595,810 0.351,811 0.177,812 0.091,813 14,814 8,815 0.118,816 4,817 1,818 1.222,819 2.96,820 137.74,821 0.222,822 9,823 78.711,825 13.711,826 5.111,827 2.391,829 109.469,830 1.453,831 4.051,833 0.632,834 1.569,836 338.354,837 25.5,840 34.482,842 -1.231,843 34.134,844 37.907,845 0.355,846 0.658,847 0.842,848 0.854,849 0.89,850 0.89,851 4.546,852 0.466,853 5.493,854 2.174,855 4.078,856 4.494,857 2.947,858 6.375,859 3.962,860 5.762,861 0.276,862 7.114,863 1.17,864 3.892,865 4.494,866 2.525,867 7.455,868 3.748,869 7.088,870 -0.194,871 8.839,872 0.607,873 5.74,874 6.611,875 4.129,876 10.61,877 5.505,878 8.45,879 -0.867,880 10.621,881 -0.451,882 6.347,883 7.43,884 4.438,885 12.498,886 6.085,887 9.847,888 -1,889 12.44,890 -2,891 7.737,892 9.084,893 5.633,894 15.219,895 7.394,896 11.267,897 -1.253,898 14.285,899 -2.148,900 8.682,901 10.257,902 6.251,903 17.441,904 8.305,905 12.706,906 -1.284,907 16.148,908 -3.062,909 9.928,910 11.765,911 7.283,912 20.014,913 9.484,914 3.347,915 -1.445,916 18.026,917 -3.508,918 11.02,919 13.093,920 8.042,921 22.382,922 10.533,923 2.64,924 11.971,925 19.915,926 -4.028,927 12.226,928 14.555,929 9.001,930 24.899,931 11.681,932 2.342,933 8.721,934 21.814,935 4.245,936 13.38,937 15.949,938 9.828,939 27.33,940 12.788,941 2.223,942 7.634,943 23.72,944 3.193,945 14.578,946 17.397,947 10.753,948 29.825,949 13.932,950 1.778,951 5.468,952 25.633,953 2.754,954 15.761,955 18.82,956 11.613,957 32.285,958 15.064,959 1.125,960 5.082,961 27.552,962 2.708,963 16.96,964 20.264,965 12.522,966 34.772,967 16.21,968 0.939,969 2.704,970 29.475,971 2.246,972 18.155,973 21.699,974 13.399,975 37.244,976 17.354,977 2913,978 5785,979 12.255,980 20.648,981 31.191,982 32.915,983 32.926,984 30.353,985 30.272,986 37.282,987 12.326,988 91.062,989 28.593,990 5.578,991 5.866,992 6.597,993 5.372,994 5.347,995 6.943,996 4.174,997 19.971,998 5.062,999 12.626,1000 1.56,1001 1.646,1002 1.646,1003 1.518,1004 1.514,1005 1.864,1006 0.616,1007 4.553,1008 1.43,1009 4.034,1010 4.085,1011 4.008,1012 3.818,1013 7.445,1014 3.86,1015 3.634,1016 3.675,1017 3.55,1018 3.368,1019 7.433,1020 3.403,1021 3.509,1022 3.552,1023 3.434,1024 3.237,1025 7.411,1026 3.273,1027 3.291,1028 3.382,1029 3.155,1030 3.034,1031 4.887,1032 3.042,1033 3.187,1034 3.263,1035 3.019,1036 2.963,1037 4.424,1038 2.965,1039 2.875,1040 2.931,1041 2.721,1042 2.595,1043 4.066,1044 2.613,1045 2.791,1046 2.813,1047 2.57,1048 2.458,1049 3.911,1050 2.491,1051 2.571,1052 2.645,1053 2.329,1054 2.198,1055 3.708,1056 2.222,1057 0.231,1058 0.199,1059 0.352,1060 0.215,1061 0.167,1062 4.63,1063 0.212,1064 3.976,1065 0.122,1066 7.045,1067 0.599,1068 4.296,1069 0.159,1070 3.347,1071 4.245,1072 2.443,1073 11.971,1074 3.174,1075 1.749,1076 1.707,1077 1.87,1078 1.992,1079 1.11,1080 1.952,1081 1.574,1082 1.52,1083 1.772,1084 1.852,1085 0.868,1086 1.827,1087 1.398,1088 1.346,1089 1.669,1090 1.677,1091 0.693,1092 1.664,1093 1.254,1094 1.158,1095 1.601,1096 1.545,1097 0.658,1098 1.567,1099 1.069,1100 1.008,1101 1.331,1102 1.335,1103 0.473,1104 1.344,1105 1.052,1106 0.963,1107 1.295,1108 1.311,1109 0.279,1110 1.317,1111 0.663,1112 0.628,1113 0.889,1114 1.026,1116 0.967,1117 0.496,1118 0.461,1119 0.739,1120 0.901,1122 0.852,1123 3.714,1125 5.056,1126 2.398,1127 6.594,1128 4.727,1129 8.238,1130 6.862,1131 9.946,1132 4.274,1136 0.455,1138 4.823,1140 2.325,1144 20.579,1145 59.108,1146 109.604,1147 140.2,1148 142.2,1149 148.2,1150 148.2,1151 42.992,1152 6.319,1153 88.12,1154 88.12,1155 11,1156 12.321,1157 3.17,1158 2.7,1159 33.628,1160 52,1161 59,1162 0.331,1163 130.025,1164 229.2,1165 309.02,1166 3550,1168 14.154,1169 0.745,1170 0.574,1171 14.154,1172 10.913,1173 8.93,1174 0.447,1175 0.284,1176 5.496,1177 8.229,1178 5.297,1179 4.41,1180 8.93,1181 5.674,1182 8.34,1183 0.288,1184 0.143,1185 8.34,1186 4.156,1187 7.036,1188 0.18,1189 0.073,1190 7.036,1191 2.855,1192 5.397,1193 0.108,1194 0.037,1195 5.397,1196 1.854,1197 3.921,1198 0.066,1199 0.019,1200 3.921,1201 1.108,1202 0.499,1203 58.496,1204 0.286,1205 18.708,1206 0.963,1207 98,1208 405.523,1209 117.538,1210 371.491,1211 487.9,1212 344,1213 117,1214 346.335,1215 136.989,1216 342.748,1217 503.64,1218 318,1219 4.167} {0 CHEMBL25427,1 1.727,2 5.688,3 0.517,4 0.267,5 58.496,6 7.866,7 0.294,8 3.457,9 3.587,10 3.068,11 2.854,12 4.669,13 2.886,14 3.982,15 4.192,16 3.454,17 3.221,18 5.153,19 3.248,20 4.101,21 4.255,22 3.593,23 3.37,24 5.41,25 3.395,26 4.316,27 4.511,28 3.556,29 3.332,30 5.855,31 3.363,32 4.075,33 4.269,34 3.092,35 3.166,36 5.429,37 3.121,38 4.002,39 4.254,40 2.496,41 2.982,42 5.118,43 2.814,44 3.718,45 4.064,46 1.797,47 2.542,48 4.588,49 2.276,50 2.975,51 3.345,52 0.663,53 1.787,54 3.611,55 1.435,56 0.068,57 0.444,58 5.248,59 1.837,60 6.732,61 2.765,62 0.386,63 0.656,64 11.254,65 2.804,66 14.038,67 4.405,68 0.235,69 0.729,70 11.348,71 3.989,72 22.003,73 5.544,74 0.69,75 0.724,76 16.949,77 3.642,78 89.596,79 5.362,80 0.404,81 0.58,82 12.699,83 3.41,84 46.249,85 4.755,86 0.361,87 0.465,88 13.276,89 3.866,90 52.723,91 5.623,92 0.258,93 0.297,94 11.529,95 3.005,96 38.038,97 4.999,98 0.099,99 0.129,100 5.419,101 1.44,102 14.952,103 2.519,104 28,105 25,106 0.338,107 0.675,108 0.805,109 0.847,110 0.847,111 0.847,112 2.856,113 0.846,114 -2.5,115 -2.53,116 -2.47,117 35.7,122 2,123 1,126 1,127 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 3,182 1,183 4,193 2,203 1,231 186,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.522,238 17.086,239 5.964,240 10.802,241 8.258,242 8.258,243 8.258,244 8.258,245 8.258,246 6.64,247 23.377,248 2.657,249 8.751,250 3.08,251 1.357,252 0.697,253 0.482,254 0.482,255 0.482,256 3.491,261 1,262 186,263 2.345,265 31.192,266 36.167,269 56.624,270 0.852,271 22.802,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 36,282 91,283 4.627,284 3.989,285 7.052,286 4.3,287 3.35,288 4.235,289 1.766,290 11.995,291 3.178,292 3.924,293 3.4,294 6.187,295 3.569,296 2.631,297 3.204,298 1.104,299 8.833,300 2.463,301 3.594,302 2.945,303 5.914,304 3.318,305 2.371,306 2.764,307 0.554,308 7.829,309 2.237,310 3.037,311 2.217,312 4.799,313 2.603,314 1.644,315 2.162,316 0.437,317 4.676,318 1.561,319 2.785,320 2.084,321 4.124,322 2.321,323 1.34,324 1.728,326 3.125,327 1.308,328 2.382,329 1.194,330 3.583,331 1.851,332 0.926,333 1.28,335 1.942,336 0.855,337 1.927,338 1.169,339 3.333,340 1.467,341 0.463,342 0.618,343 1.145,344 0.457,345 1.785,346 1.024,347 2.762,348 1.229,349 0.209,350 0.293,351 0.381,352 0.209,353 0.728,354 -0.108,355 2,356 0.398,357 -0.547,358 -0.644,359 -1.228,360 -0.511,361 0.617,362 -0.34,363 2,364 0.203,365 -0.817,366 -1.15,367 -1.454,368 -0.828,369 0.097,370 -0.56,371 1.836,372 -0.261,373 -1.194,374 -1.397,376 -3.085,377 -1.093,378 -0.061,379 -1.014,380 1.522,381 -0.413,382 -1.395,383 -1.778,385 -3.72,386 -1.367,387 -0.272,388 -1.025,389 1.387,390 -0.53,391 -1.514,392 -2,393 -0.321,394 -4.644,395 -1.503,396 -0.357,397 -1.391,398 1.302,399 -0.802,400 -1.734,401 -2,402 -0.4,403 -4.931,404 -1.619,405 -0.571,406 -1.641,407 1.221,408 -0.847,409 -1.78,410 -2.078,411 -0.746,412 -6.016,413 -1.672,414 7.267,415 0.454,416 0.511,417 0.032,418 20.25,419 1.266,420 8.5,421 0.531,422 11.75,423 0.734,424 10.166,425 0.635,426 17.933,427 0.64,428 14.843,429 0.928,430 4.346,431 0.272,432 3.228,433 0.202,434 0.298,436 0.44,437 0.725,438 2.038,439 0.698,440 1.445,441 0.564,442 1.113,443 0.672,444 0.706,445 0.667,446 0.523,447 0.562,448 0.553,449 0.811,450 1.484,451 0.735,452 1.376,453 0.941,454 1.093,455 1.493,456 0.88,457 1.137,458 0.816,459 1.501,460 0.873,461 1.532,462 0.99,463 1.483,464 1.165,465 1.368,466 1.287,467 1.232,468 0.932,469 1.392,470 1.187,471 1.367,472 1.337,473 0.614,474 0.61,475 0.87,476 0.787,477 0.681,478 0.888,479 0.24,480 0.691,481 0.865,482 0.99,483 0.293,484 1.065,485 3,487 2.667,488 2,489 1.672,490 0.479,491 0.136,492 0.041,495 1506,496 4965,497 1.923,498 42.9,500 11,502 1,507 1.562,508 1.714,509 2.525,510 -0.612,512 1,514 1,515 48.367,516 1.727,517 3.45,518 4.111,519 4.325,520 4.325,521 4.325,522 1.924,523 3.281,524 3.971,525 2.579,526 309.532,527 6.74,528 2622.01,530 1,533 134.606,534 1.546,535 3.873,536 0.176,538 0.107,539 0.071,540 0.067,541 0.032,542 0.019,543 0.014,546 0.486,547 0.67,548 1,549 1.274,550 61.833,551 -0.066,552 -0.757,553 0.071,554 -0.361,555 -0.068,556 -0.155,557 0.194,558 0.45,559 0.247,560 0.388,561 0.035,562 0.343,563 0.091,564 -0.341,565 0.121,566 -0.317,567 -0.029,568 -0.129,569 -0.08,570 0.098,571 -0.127,572 0.051,573 0.041,574 -0.026,575 -0.368,576 0.025,577 -0.544,578 -0.216,579 -0.117,580 -0.384,581 -0.25,582 -0.109,583 -0.395,584 -0.19,585 -0.243,586 -0.321,587 0.078,588 0.038,589 0.22,590 0.172,591 0.005,592 0.218,593 0.222,594 -0.062,595 0.218,596 -0.036,597 0.055,598 0.073,599 2.045,600 5.014,601 0.563,602 8.125,603 1.021,604 1.145,605 1.271,606 1.615,607 0.642,608 2.89,609 3.258,610 3.611,611 3.892,612 4.025,613 4.043,614 3.951,615 3.807,616 3.401,617 2.565,618 3.586,619 0.629,620 220.26,621 2.89,622 4.443,623 5.333,624 6.248,625 7.16,626 8.081,627 8.999,628 9.921,629 10.841,630 11.763,631 14.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 28,649 8,651 17,652 29,653 10,654 3,657 1,659 2,660 3,662 1,670 7,671 3,673 3,674 1,676 2,677 1,678 2,680 1,681 12,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,707 1,708 1,711 1,713 2,715 16,719 1,723 2,729 7.1,732 2,735 9.333,736 5.8,737 3.611,738 1.475,739 1.283,740 1.214,741 0.939,742 2.558,743 7.267,744 3.157,745 3.695,746 4.268,747 4.798,748 5.03,749 5.244,750 5.345,751 5.4,752 5.322,753 4.594,754 0.75,755 28,756 5.907,758 2.51,759 8.135,760 10.775,762 8.443,764 2.635,765 42.167,766 0.001,769 141.253,770 66.825,771 24.933,773 50.29,775 66.825,776 191.543,777 24.933,778 16.793,779 24.121,780 9.476,781 92.17,782 1.899,783 9.36,784 129.482,786 141.253,787 91.759,788 50.29,790 141.253,791 50.29,793 18.872,794 46.625,795 26.262,797 141.253,798 75.223,799 66.825,801 141.253,802 16.171,803 43.035,805 82.842,806 141.253,807 75.223,808 66.825,809 0.589,810 0.382,811 0.216,812 0.112,813 13,814 7,815 0.069,816 2,817 1,818 1.222,819 2.615,820 112.461,821 0.222,822 9,823 64,825 10.893,826 3.757,827 1.478,829 73.324,830 1.518,831 4.027,833 0.821,834 1.608,836 283.302,837 22.5,838 3.528,840 23.846,841 1.519,842 -0.714,843 28.596,844 32.073,845 0.359,846 0.718,847 0.855,848 0.9,849 0.9,850 0.9,851 4.422,852 0.209,853 5.371,854 1.145,855 3.932,856 4.376,857 2.256,858 6.293,859 3.823,860 5.641,861 -0.547,862 7.015,863 0.381,864 3.761,865 4.35,866 1.404,867 7.427,868 3.603,869 6.972,870 -0.817,871 8.762,872 -1.228,873 5.631,874 6.523,875 2.834,876 10.599,877 5.404,878 8.342,879 -1.194,880 10.565,881 -1.454,882 6.275,883 7.348,884 2.659,885 12.515,886 6.003,887 9.749,888 -1.395,889 12.401,890 -3.085,891 7.674,892 9.028,893 3.69,894 15.235,895 7.338,896 11.181,897 -1.514,898 14.26,899 -3.72,900 8.648,901 10.211,902 3.872,903 17.468,904 8.268,905 12.632,906 -1.734,907 16.135,908 -4.644,909 9.899,910 11.728,911 4.687,912 20.038,913 9.461,914 3.35,915 -1.78,916 18.022,917 -4.931,918 11.008,919 13.062,920 5.056,921 22.41,922 10.523,923 2.631,924 11.995,925 19.919,926 -6.016,927 12.217,928 14.525,929 5.755,930 24.925,931 11.677,932 2.371,933 8.833,934 21.823,935 4.235,936 13.38,937 15.921,938 6.22,939 27.359,940 12.791,941 1.644,942 7.829,943 23.733,944 3.204,945 14.581,946 17.368,947 6.859,948 29.854,949 13.939,950 1.34,951 4.676,952 25.649,953 2.764,954 15.767,955 18.79,956 7.373,957 32.315,958 15.075,959 0.926,960 3.125,961 27.57,962 2.162,963 16.968,964 20.233,965 7.98,966 34.803,967 16.224,968 0.463,969 1.942,970 29.495,971 1.728,972 18.166,973 21.666,974 8.519,975 37.277,976 17.37,977 1644,978 3063,979 10.463,980 17.977,981 26.943,982 28.249,983 28.808,984 25.976,985 25.868,986 32.568,987 7.721,988 79.85,989 24.535,990 5.572,991 5.878,992 6.811,993 5.374,994 5.35,995 6.927,996 3.076,997 19.995,998 5.067,999 9.727,1000 1.585,1001 1.662,1002 1.695,1003 1.528,1004 1.522,1005 1.916,1006 0.454,1007 4.697,1008 1.443,1009 4.027,1010 4.08,1011 4.003,1012 3.811,1013 7.444,1014 3.854,1015 3.633,1016 3.698,1017 3.542,1018 3.459,1019 7.411,1020 3.461,1021 3.413,1022 3.488,1023 3.288,1024 3.163,1025 4.896,1026 3.19,1027 3.168,1028 3.227,1029 3.071,1030 2.899,1031 4.706,1032 2.927,1033 2.968,1034 3.072,1035 2.769,1036 2.719,1037 4.041,1038 2.708,1039 2.812,1040 2.82,1041 2.636,1042 2.495,1043 3.806,1044 2.536,1045 2.605,1046 2.706,1047 2.335,1048 2.334,1049 3.646,1050 2.32,1051 2.219,1052 2.294,1053 2.04,1054 1.999,1055 3.112,1056 2.003,1057 0.272,1058 0.235,1059 0.415,1060 0.253,1061 0.197,1062 4.627,1063 0.249,1064 3.989,1065 0.104,1066 7.052,1067 0.706,1068 4.3,1069 0.187,1070 3.35,1071 4.235,1072 1.766,1073 11.995,1074 3.178,1075 1.758,1076 1.716,1077 1.883,1078 1.993,1079 1.002,1080 1.954,1081 1.541,1082 1.477,1083 1.763,1084 1.781,1085 0.839,1086 1.773,1087 1.46,1088 1.381,1089 1.689,1090 1.691,1091 0.727,1092 1.704,1093 1.104,1094 1.022,1095 1.395,1096 1.386,1097 0.401,1098 1.396,1099 0.977,1100 0.913,1101 1.221,1102 1.255,1103 0.172,1104 1.246,1105 0.779,1106 0.698,1107 1.13,1108 1.073,1109 0.137,1110 1.084,1111 0.576,1112 0.517,1113 0.745,1114 0.936,1116 0.902,1117 0.369,1118 0.322,1119 0.516,1120 0.725,1122 0.679,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.15,1130 6.843,1131 9.889,1132 3.316,1136 0.201,1140 2.497,1144 17.622,1145 48.367,1146 96.606,1147 115.096,1148 121.096,1149 121.096,1150 121.096,1151 30.195,1152 5.984,1153 61.82,1154 61.82,1155 11,1156 12.271,1157 3.17,1158 2.7,1159 25.629,1160 37,1161 36,1162 0.408,1163 112.44,1164 194.32,1165 266.113,1166 2147,1168 11.87,1169 0.742,1170 0.573,1171 11.87,1172 9.174,1173 7.575,1174 0.446,1175 0.282,1176 4.663,1177 7.095,1178 4.49,1179 3.784,1180 7.575,1181 4.793,1182 6.826,1183 0.273,1184 0.143,1185 6.826,1186 3.574,1187 6.191,1188 0.172,1189 0.07,1190 6.191,1191 2.513,1192 5.187,1193 0.108,1194 0.035,1195 5.187,1196 1.686,1197 3.774,1198 0.069,1199 0.019,1200 3.774,1201 1.034,1202 0.581,1203 48.875,1204 0.309,1205 15.401,1206 1.316,1207 84,1208 302.052,1209 97.67,1210 285.606,1211 382.91,1212 264,1213 103,1214 281.245,1215 118.947,1216 283.221,1217 419.52,1218 262,1219 5.187} {0 CHEMBL26061,1 1.845,2 5.4,3 -1.123,4 1.26,5 49.419,6 8.409,7 0.313,8 3.383,9 3.503,10 3.023,11 2.713,12 4.646,13 2.786,14 3.901,15 4.085,16 3.399,17 3.095,18 5.161,19 3.148,20 4.054,21 4.227,22 3.506,23 3.185,24 5.434,25 3.244,26 4.13,27 4.289,28 3.445,29 3.146,30 5.712,31 3.207,32 4.019,33 4.215,34 3.045,35 2.979,36 5.5,37 2.949,38 3.822,39 4.086,40 2.356,41 2.578,42 5.04,43 2.455,44 3.314,45 3.645,46 1.362,47 1.758,48 4.651,49 1.541,50 1.758,51 2.115,52 0.131,53 0.561,54 2.485,55 0.382,56 0.164,57 0.383,58 4.391,59 1.395,60 16.966,61 2.12,62 0.431,63 0.564,64 9.545,65 2.421,66 30.91,67 3.648,68 0.461,69 0.592,70 11.18,71 3.088,72 46.69,73 4.543,74 0.705,75 0.556,76 12.689,77 2.85,78 94.999,79 3.989,80 0.607,81 0.443,82 11.868,83 2.865,84 77.187,85 4.273,86 0.473,87 0.265,88 11.762,89 2.548,90 57.676,91 4.14,92 0.426,93 0.094,94 9.27,95 1.469,96 68.142,97 2.685,98 0.068,99 0.014,100 1.907,101 0.285,102 10.568,103 0.575,104 19,105 23,106 0.374,107 0.75,108 0.871,109 0.871,110 0.871,111 0.871,112 2.799,113 0.826,114 -0.8,115 -0.91,116 -1.03,117 32,122 1,123 2,133 1,139 1,140 1,141 1,142 1,152 4,155 2,161 3,164 1,170 2,174 3,182 1,186 2,187 1,196 1,206 1,231 174,232 9.975,233 9.975,234 9.975,235 9.975,236 9.975,237 9.205,238 12.317,239 5.777,240 10.309,241 7.785,242 7.785,243 7.785,244 7.785,245 7.785,246 6.452,247 15.533,248 2.575,249 8.281,250 2.799,251 0.946,252 0.35,253 0.35,254 0.35,255 0.35,256 3.433,262 165,263 2.236,265 27.527,266 33.752,269 51.572,270 0.827,271 26.184,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 35,282 81,283 4.555,284 3.973,285 6.952,286 4.251,287 3.3,288 4.091,289 1.761,290 11.634,291 3.134,292 3.78,293 3.39,294 5.947,295 3.399,296 2.441,297 3.073,298 1.083,299 8.021,300 2.338,301 3.607,302 2.856,303 5.923,304 3.34,305 2.391,306 2.768,307 0.526,308 7.874,309 2.247,310 2.718,311 1.99,312 4.069,313 2.335,314 1.38,315 1.745,316 0.064,317 3.125,318 1.304,319 2.347,320 1.663,321 3.95,322 2.018,323 1.105,324 1.32,326 2.47,327 1.004,328 2.31,329 1.469,330 3.399,331 1.804,332 0.862,333 1.177,335 2.091,336 0.804,337 1.813,338 1.032,339 3.045,340 1.375,341 0.387,342 0.498,343 0.818,344 0.373,345 1.542,346 0.787,347 2.663,348 1.14,349 0.157,350 0.2,351 0.306,352 0.151,353 0.451,354 -0.129,355 2,356 0.187,357 -0.726,358 -0.798,359 -1.29,360 -0.657,361 0.222,362 -0.473,363 1.771,364 -0.122,365 -1.136,366 -1.385,367 -2.663,368 -1.119,369 -0.053,370 -0.768,371 1.548,372 -0.401,373 -1.331,374 -1.593,376 -3.314,377 -1.254,378 -0.165,379 -1.038,380 1.478,381 -0.471,382 -1.464,383 -1.891,385 -4.161,386 -1.431,387 -0.225,388 -1.479,389 1.288,390 -0.667,391 -1.605,392 -2,393 -0.4,394 -4.853,395 -1.54,396 -0.656,397 -1.552,398 1.198,399 -0.879,400 -1.812,401 -2.034,402 -0.66,403 -5.96,404 -1.687,405 -0.8,406 -1.777,407 0.529,408 -1.035,409 -1.949,410 -2.493,411 -1.065,412 -6.098,413 -1.778,414 6.6,415 0.44,416 0.422,417 0.028,418 18.75,419 1.25,420 7.5,421 0.5,422 11.25,423 0.75,424 9.242,425 0.616,426 17.4,427 0.696,428 13.024,429 0.868,430 3.987,431 0.266,432 3.177,433 0.212,434 0.227,436 0.424,437 0.892,438 2.027,439 0.705,440 1.386,441 0.675,442 1.027,443 0.728,444 0.87,445 0.732,446 0.699,447 0.678,448 0.695,449 0.861,450 1.242,451 0.722,452 1.133,453 0.873,454 0.916,455 1.306,456 1.006,457 1.172,458 0.981,459 1.426,460 1.025,461 1.035,462 0.964,463 1.352,464 1.225,465 1.05,466 1.367,467 1.069,468 0.849,469 1.267,470 1.203,471 1.034,472 1.297,473 1.057,474 0.208,475 0.914,476 0.317,477 1.065,478 0.565,479 0.861,481 0.568,482 0.007,483 1.111,484 0.194,485 2.5,487 2.444,488 1.431,489 1.392,490 0.441,491 0.136,495 1283,496 5163,497 1.955,498 40,500 7,502 1,503 2,507 1.542,508 1.765,509 2.46,510 0.691,515 46.122,516 1.845,517 3.698,518 4.294,519 4.294,520 4.294,521 4.294,522 1.909,523 3.774,524 3.879,525 2.505,526 263.035,527 6.552,528 2142.48,533 116.096,534 1.566,535 3.796,536 0.156,538 0.106,539 0.057,540 0.063,541 0.034,542 0.027,546 0.444,547 0.67,548 1,549 1.29,550 56.335,551 -0.201,552 -0.698,553 0.012,554 -0.252,555 -0.097,556 -0.078,557 0.062,558 0.306,559 0.119,560 0.273,561 -0.032,562 0.22,563 0.008,564 -0.147,565 0.157,566 -0.105,567 -0.011,568 0.048,569 -0.159,570 0.009,571 -0.247,572 -0.048,573 -0.104,574 -0.157,575 -0.035,576 -0.004,577 -0.408,578 -0.28,579 -0.015,580 -0.436,581 -0.102,582 -0.124,583 -0.182,584 -0.291,585 -0.104,586 -0.265,587 0.141,588 0.143,589 0.426,590 0.488,591 0.115,592 0.538,593 0.137,594 0.233,595 0.857,596 0.787,597 -0.027,598 1.018,599 2.134,600 4.658,601 0.6,602 7.307,603 1.042,604 1.155,605 -0.429,606 0.184,607 0.627,608 2.833,609 3.178,610 3.526,611 3.784,612 3.912,613 3.932,614 3.761,615 3.555,616 3.045,617 2.485,618 3.435,619 0.632,620 210.22,621 2.833,622 4.369,623 5.252,624 6.155,625 7.06,626 7.97,627 8.88,628 9.791,629 10.702,630 11.614,631 16,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 25,649 7,651 16,652 26,653 8,654 3,657 1,659 2,660 3,662 1,663 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 6,683 2,684 7,686 1,687 4,688 1,689 0.5,690 3,691 1,698 1,699 1,709 1,711 1,713 1,715 15,718 1,719 2,723 2,729 12,730 1,732 2,735 8.5,736 4.717,737 3.417,738 1.321,739 1.185,740 1.203,741 0.908,742 2.46,743 7.023,744 3.068,745 3.59,746 4.165,747 4.662,748 4.86,749 5.125,750 5.138,751 5.134,752 4.918,753 4.298,754 0.75,755 25,756 5.542,757 -0.001,758 2.403,759 8.378,760 9.934,762 7.846,764 2.878,765 43.167,766 0.001,769 94.169,770 33.186,771 39.82,773 92.973,775 33.186,776 187.142,777 39.82,778 8.396,779 8.354,780 42.683,781 92.17,782 21.87,783 4.276,784 82.398,786 94.169,787 73.006,788 92.973,790 94.169,791 50.29,792 42.683,793 38.843,794 17.377,795 16.786,797 94.169,798 132.793,799 33.186,801 94.169,802 16.171,803 23.264,804 16.786,805 109.759,806 94.169,807 132.793,808 33.186,809 0.582,810 0.377,811 0.212,812 0.11,813 12,814 6,815 0.077,816 2,817 1,818 1.222,819 2.565,820 101.535,821 0.222,822 9,823 58.603,825 10.139,826 3.64,827 1.421,829 116.007,830 1.347,831 3.833,832 2.709,833 0.544,835 59.469,836 260.148,837 20.5,840 23.23,842 -0.906,843 26.04,844 28.867,845 0.397,846 0.796,847 0.925,848 0.925,849 0.925,850 0.925,851 4.321,852 0.157,853 5.273,854 0.818,855 3.85,856 4.27,857 2.197,858 6.176,859 3.74,860 5.521,861 -0.726,862 6.903,863 0.306,864 3.611,865 4.159,866 1.404,867 7.273,868 3.476,869 6.842,870 -1.136,871 8.639,872 -1.29,873 5.525,874 6.38,875 2.804,876 10.441,877 5.308,878 8.204,879 -1.331,880 10.433,881 -2.663,882 6.133,883 7.143,884 2.647,885 12.319,886 5.888,887 9.604,888 -1.464,889 12.262,890 -3.314,891 7.544,892 8.829,893 3.665,894 15.029,895 7.226,896 11.028,897 -1.605,898 14.113,899 -4.161,900 8.494,901 9.957,902 3.851,903 17.22,904 8.14,905 12.47,906 -1.812,907 15.979,908 -4.853,909 9.745,910 11.461,911 4.661,912 19.777,913 9.327,914 3.3,915 -1.949,916 17.856,917 -5.96,918 10.836,919 12.746,920 5.029,921 22.11,922 10.375,923 2.441,924 11.634,925 19.742,926 -6.098,927 12.039,928 14.185,929 5.726,930 24.608,931 11.52,932 2.391,933 8.021,934 21.634,935 4.091,936 13.188,937 15.539,938 6.188,939 27.006,940 12.621,941 1.38,942 7.874,943 23.533,944 3.073,945 14.379,946 16.956,947 6.825,948 29.479,949 13.758,950 1.105,951 3.125,952 25.437,953 2.768,954 15.552,955 18.34,956 7.336,957 31.907,958 14.882,959 0.862,960 2.47,961 27.345,962 1.745,963 16.742,964 19.75,965 7.94,966 34.37,967 16.019,968 0.387,969 2.091,970 29.257,971 1.32,972 17.926,973 21.147,974 8.477,975 36.812,976 17.152,977 1399,978 2860,979 10.057,980 15.67,981 24.846,982 26.262,983 26.319,984 24.123,985 24.046,986 29.745,987 6.869,988 72.678,989 22.709,990 5.502,991 5.857,992 6.711,993 5.324,994 5.3,995 6.77,996 3.071,997 19.634,998 5.021,999 8.337,1000 1.553,1001 1.641,1002 1.645,1003 1.508,1004 1.503,1005 1.859,1006 0.429,1007 4.542,1008 1.419,1009 4.006,1010 4.06,1011 3.979,1012 3.782,1013 7.444,1014 3.826,1015 3.535,1016 3.603,1017 3.451,1018 3.284,1019 7.411,1020 3.306,1021 3.449,1022 3.515,1023 3.318,1024 3.174,1025 6.456,1026 3.204,1027 2.999,1028 3.031,1029 2.945,1030 2.649,1031 4.942,1032 2.719,1033 2.905,1034 2.955,1035 2.678,1036 2.627,1037 4.037,1038 2.631,1039 2.541,1040 2.598,1041 2.361,1042 2.166,1043 3.828,1044 2.198,1045 2.247,1046 2.357,1047 2.065,1048 1.941,1049 3.498,1050 1.945,1051 2.108,1052 2.187,1053 1.974,1054 1.677,1055 3.161,1056 1.752,1057 0.285,1058 0.248,1059 0.435,1060 0.266,1061 0.206,1062 4.555,1063 0.256,1064 3.973,1065 0.11,1066 6.952,1067 0.727,1068 4.251,1069 0.196,1070 3.3,1071 4.091,1072 1.761,1073 11.634,1074 3.134,1075 1.733,1076 1.69,1077 1.85,1078 1.985,1079 1.064,1080 1.942,1081 1.421,1082 1.359,1083 1.676,1084 1.705,1085 0.776,1086 1.69,1087 1.315,1088 1.228,1089 1.518,1090 1.627,1091 0.558,1092 1.607,1093 1.162,1094 1.086,1095 1.391,1096 1.41,1097 0.341,1098 1.415,1099 0.773,1100 0.747,1101 0.996,1102 1.152,1103 0.083,1104 1.085,1105 0.531,1106 0.485,1107 0.782,1108 0.924,1110 0.889,1111 0.329,1112 0.257,1113 0.571,1114 0.77,1116 0.715,1119 0.467,1120 0.385,1122 0.428,1123 3.497,1125 4.828,1126 2.398,1127 6.382,1128 4.595,1129 8.05,1130 6.629,1131 9.78,1132 1.382,1135 8.82,1136 -0.044,1140 2.253,1144 15.81,1145 46.122,1146 92.445,1147 107.342,1148 107.342,1149 107.342,1150 107.342,1151 29.64,1152 5.838,1153 92.91,1154 92.91,1155 11,1156 12.128,1157 3,1158 2.459,1159 23.279,1160 32,1161 33,1162 0.415,1163 100.179,1164 171.15,1165 236.196,1166 1801,1168 11,1169 0.733,1170 0.54,1171 11,1172 8.097,1173 7.164,1174 0.448,1175 0.275,1176 4.264,1177 6.63,1178 4.193,1179 3.459,1180 7.164,1181 4.403,1182 6.288,1183 0.273,1184 0.136,1185 6.288,1186 3.122,1187 5.806,1188 0.176,1189 0.068,1190 5.806,1191 2.238,1192 4.661,1193 0.108,1194 0.034,1195 4.661,1196 1.48,1197 3.375,1198 0.069,1199 0.018,1200 3.375,1201 0.871,1202 0.587,1203 46.913,1204 0.315,1205 14.498,1206 1.347,1207 78,1208 314.889,1209 92.749,1210 291.43,1211 384.18,1212 270,1213 95,1214 271.915,1215 111,1216 269.968,1217 401.23,1218 252,1219 4.097} {0 CHEMBL26119,1 1.735,2 4.867,3 0.42,4 0.177,5 53.603,6 7.713,7 0.313,8 3.424,9 3.56,10 3.013,11 2.808,12 4.597,13 2.839,14 3.971,15 4.182,16 3.425,17 3.194,18 5.127,19 3.212,20 4.137,21 4.325,22 3.532,23 3.324,24 5.406,25 3.346,26 4.291,27 4.486,28 3.516,29 3.308,30 5.809,31 3.326,32 4.124,33 4.34,34 2.988,35 3.175,36 5.338,37 3.101,38 3.998,39 4.279,40 2.032,41 2.885,42 4.97,43 2.623,44 3.632,45 4.058,46 0.645,47 1.92,48 4.331,49 1.486,56 0.076,57 0.422,58 5.371,59 1.709,60 5.285,61 2.754,62 0.358,63 0.63,64 11.306,65 2.935,66 17.427,67 4.773,68 0.31,69 0.692,70 12.988,71 3.662,72 23.88,73 5.597,74 0.666,75 0.676,76 16.84,77 3.74,78 91.047,79 5.796,80 0.463,81 0.578,82 13.978,83 3.259,84 53.224,85 5.093,86 0.295,87 0.399,88 13.164,89 3.707,90 31.089,91 5.957,92 0.36,93 0.126,94 12.59,95 2.291,96 54.898,97 4.304,104 27,105 24,106 0.345,107 0.658,108 0.783,109 0.783,110 0.783,111 0.783,112 2.8,113 0.878,114 -2.28,115 -2.32,116 -2.29,117 33.3,118 2,122 1,124 1,134 1,138 1,140 1,141 1,142 1,152 5,153 2,155 1,158 1,164 3,170 5,171 6,186 1,188 2,193 2,231 165,232 9.604,233 9.604,234 9.604,235 9.604,236 9.604,237 8.835,238 14.589,239 5.34,240 9.908,241 7.8,242 7.8,243 7.8,244 7.8,245 7.8,246 6.475,247 20.573,248 2.429,249 8.24,250 3.02,251 1.453,252 0.825,253 0.825,254 0.825,255 0.825,256 3.427,261 1,262 148,263 2.449,265 27.264,266 33.474,269 51.148,270 0.578,271 21.444,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 34,282 73,283 4.575,284 3.987,285 7.039,286 4.284,287 3.336,288 4.099,289 1.761,290 11.948,291 3.161,292 3.808,293 3.408,294 6.133,295 3.519,296 2.552,297 3.093,298 1.083,299 8.555,300 2.457,301 3.683,302 2.918,303 5.932,304 3.376,305 2.436,306 2.837,307 0.526,308 7.905,309 2.282,310 2.93,311 2.209,312 4.643,313 2.648,314 1.653,315 1.957,316 0.064,317 4.242,318 1.632,319 2.516,320 1.664,321 3.956,322 2.054,323 1.132,324 1.521,326 2.582,327 1.04,328 2.316,329 1.301,330 3.594,331 1.804,332 0.859,333 1.185,335 2.303,336 0.803,337 1.802,338 1.031,339 3.184,340 1.334,341 0.31,342 0.417,343 0.722,344 0.311,345 1.296,346 0.47,347 2.694,348 0.918,349 -0.083,350 -0.106,351 -0.207,352 -0.082,353 0.311,354 -0.473,355 2,357 -1,358 -1,359 -2,360 -1,362 -0.667,363 1.778,364 -0.084,365 -1.094,366 -1.351,367 -2.666,368 -1.069,369 -0.051,370 -1,371 1.552,372 -0.367,373 -1.314,374 -1.569,376 -3.354,377 -1.254,378 -0.146,379 -1.014,380 1.481,381 -0.471,382 -1.462,383 -1.878,385 -4.214,386 -1.43,387 -0.179,388 -1.421,389 1.288,390 -0.658,391 -1.591,392 -2,393 -0.4,394 -5.146,395 -1.522,396 -0.654,397 -1.551,398 1.198,399 -0.851,400 -1.785,401 -2.034,402 -0.66,403 -6.032,404 -1.666,405 -0.76,406 -1.778,407 1,408 -1.034,409 -1.948,410 -2.493,411 -1.065,412 -6.638,413 -1.776,414 6.767,415 0.451,416 0.549,417 0.037,418 18.5,419 1.233,420 7.5,421 0.5,422 11,423 0.733,424 10.68,425 0.712,426 17.233,427 0.638,428 12.374,429 0.825,430 3.648,431 0.243,432 3.389,433 0.226,434 0.32,436 0.488,437 0.749,438 1.998,439 0.729,440 1.43,441 0.543,442 1.107,443 0.532,444 0.911,445 0.604,446 0.724,447 0.511,448 0.672,449 0.897,450 1.237,451 0.785,452 1.16,453 0.862,454 0.961,455 1.342,456 0.995,457 1.045,458 0.912,459 1.46,460 0.918,461 1.482,462 0.921,463 1.575,464 1.092,465 1.356,466 1.311,467 0.837,468 1.12,469 1.466,470 1.584,471 0.799,472 1.677,473 0.864,475 0.449,476 0.005,477 1.127,478 0.14,485 3,487 2.444,488 1.681,489 1.502,490 0.556,495 1227,496 3983,497 1.918,498 44.4,500 4,502 1,503 1,505 6,507 1.544,508 1.698,509 2.342,510 -0.069,515 46.833,516 1.735,517 3.302,518 3.93,519 3.93,520 3.93,521 3.93,522 1.506,523 3.64,524 3.884,525 2.368,526 248.6,527 6.567,528 2068.68,530 1,533 128.382,534 1.506,535 3.772,536 0.188,538 0.102,539 0.065,540 0.063,541 0.043,546 0.459,547 0.67,548 1,549 1.049,550 55.823,551 -0.094,552 -0.657,553 0.055,554 -0.286,555 -0.056,556 -0.107,557 0.271,558 0.244,559 0.302,560 0.255,561 0.081,562 0.276,563 0.016,564 -0.109,565 0.114,566 -0.133,567 0.011,568 0.003,569 -0.007,570 -0.03,571 -0.047,572 0.014,573 0.065,574 -0.024,575 -0.415,576 0.106,577 -0.638,578 -0.161,579 -0.262,580 -0.408,581 -0.114,582 -0.281,583 -0.518,584 -0.6,585 -0.105,586 -0.654,587 0.132,588 0.266,589 0.795,590 0.778,591 -0.006,592 0.921,599 2.01,600 4.815,601 0.6,602 6.667,603 1.022,604 1.151,605 1.053,606 1.11,607 0.629,608 2.833,609 3.219,610 3.555,611 3.829,612 3.932,613 3.951,614 3.761,615 3.497,616 3.045,617 2.485,618 3.276,619 0.616,620 208.25,621 2.833,622 4.394,623 5.283,624 6.201,625 7.109,626 8.029,627 8.942,628 9.861,629 10.775,630 11.695,631 14.8,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 27,649 7,651 16,652 28,653 9,654 3,657 1,659 2,660 3,662 1,663 2,668 1,670 5,671 4,673 2,676 2,678 2,680 1,681 12,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 15,722 1,723 2,729 7.4,732 2,735 8.833,736 5.85,737 3.278,738 1.604,739 1.185,740 1.203,741 0.931,742 2.27,743 7.023,744 3.068,745 3.618,746 4.18,747 4.699,748 4.875,749 5.162,750 5.149,751 5.113,752 4.984,753 4.275,754 0.5,755 26,756 5.55,757 -0.001,758 2.386,759 8.133,760 10.173,762 8.106,764 2.633,765 39.5,766 0.002,769 129.482,770 48.731,771 39.82,773 50.29,775 48.731,776 179.772,777 39.82,778 26.047,779 6.249,781 92.17,782 16.786,783 9.36,784 117.711,786 129.482,787 88.55,788 50.29,790 58.856,791 120.916,793 49.303,794 22.462,795 16.786,797 129.482,798 90.11,799 48.731,801 129.482,802 14.065,803 40.914,804 16.786,805 67.075,806 129.482,807 90.11,808 48.731,809 0.604,810 0.384,811 0.211,812 0.101,813 13,814 7,815 0.036,816 1,817 1,818 1.222,819 2.502,820 103.603,821 0.222,822 9,823 56.603,825 10.177,826 3.346,827 1.346,829 73.324,830 1.421,831 3.997,832 2.747,833 0.781,835 16.786,836 268.322,837 20.5,840 23.478,842 -0.681,843 27.596,844 31.073,845 0.365,846 0.695,847 0.827,848 0.827,849 0.827,850 0.827,851 4.347,852 -0.083,853 5.333,854 0.722,855 3.892,856 4.297,857 2.197,858 6.256,859 3.791,860 5.568,861 -1,862 6.98,863 -0.207,864 3.761,865 4.248,866 1.404,867 7.398,868 3.63,869 6.898,870 -1.094,871 8.73,872 -2,873 5.595,874 6.41,875 2.804,876 10.561,877 5.383,878 8.265,879 -1.314,880 10.534,881 -2.666,882 6.256,883 7.19,884 2.647,885 12.478,886 6.009,887 9.667,888 -1.462,889 12.371,890 -3.354,891 7.636,892 8.857,893 3.665,894 15.195,895 7.317,896 11.092,897 -1.591,898 14.231,899 -4.214,900 8.613,901 9.99,902 3.851,903 17.426,904 8.251,905 12.535,906 -1.785,907 16.106,908 -5.146,909 9.855,910 11.488,911 4.661,912 19.994,913 9.429,914 3.336,915 -1.948,916 17.993,917 -6.032,918 10.961,919 12.774,920 5.029,921 22.363,922 10.487,923 2.552,924 11.948,925 19.888,926 -6.638,927 12.165,928 14.212,929 5.726,930 24.877,931 11.632,932 2.436,933 8.555,934 21.792,935 4.099,936 13.325,937 15.567,938 6.188,939 27.308,940 12.739,941 1.653,942 7.905,943 23.701,944 3.093,945 14.521,946 16.984,947 6.825,948 29.801,949 13.879,950 1.132,951 4.242,952 25.616,953 2.837,954 15.704,955 18.369,956 7.336,957 32.259,958 15.009,959 0.859,960 2.582,961 27.535,962 1.957,963 16.902,964 19.78,965 7.94,966 34.744,967 16.151,968 0.31,969 2.303,970 29.459,971 1.521,972 18.095,973 21.179,974 8.477,975 37.215,976 17.291,977 1350,978 2519,979 9.77,980 16.977,981 25.352,982 26.775,983 26.961,984 24.562,985 24.555,986 30.22,987 6.869,988 76.513,989 23.373,990 5.522,991 5.872,992 6.511,993 5.357,994 5.336,995 6.778,996 3.071,997 19.948,998 5.048,999 9.14,1000 1.584,1001 1.673,1002 1.685,1003 1.535,1004 1.535,1005 1.889,1006 0.429,1007 4.782,1008 1.461,1009 4.012,1010 4.065,1011 3.984,1012 3.793,1013 7.444,1014 3.835,1015 3.598,1016 3.674,1017 3.482,1018 3.415,1019 7.411,1020 3.411,1021 3.463,1022 3.535,1023 3.351,1024 3.182,1025 4.946,1026 3.219,1027 2.975,1028 3.028,1029 2.914,1030 2.654,1031 4.216,1032 2.705,1033 2.879,1034 3.009,1035 2.66,1036 2.618,1037 3.993,1038 2.614,1039 2.874,1040 2.907,1041 2.499,1042 2.593,1043 3.578,1044 2.57,1045 2.427,1046 2.495,1047 2.313,1048 2.138,1049 3.467,1050 2.168,1051 2.121,1052 2.246,1053 1.965,1054 1.704,1055 3.328,1056 1.76,1057 0.286,1058 0.249,1059 0.44,1060 0.268,1061 0.208,1062 4.575,1063 0.256,1064 3.987,1065 0.11,1066 7.039,1067 0.747,1068 4.284,1069 0.198,1070 3.336,1071 4.099,1072 1.761,1073 11.948,1074 3.161,1075 1.763,1076 1.716,1077 1.934,1078 1.996,1079 1.136,1080 1.966,1081 1.531,1082 1.467,1083 1.736,1084 1.768,1085 0.806,1086 1.771,1087 1.309,1088 1.221,1089 1.531,1090 1.623,1091 0.564,1092 1.602,1093 1.161,1094 1.081,1095 1.417,1096 1.408,1097 0.469,1098 1.416,1099 0.934,1100 0.804,1101 1.38,1102 1.239,1103 0.339,1104 1.308,1105 0.741,1106 0.722,1107 0.854,1108 1.091,1110 1.014,1111 0.523,1112 0.493,1113 0.683,1114 0.912,1116 0.838,1119 0.467,1120 0.425,1122 0.458,1123 3.497,1125 4.86,1126 2.398,1127 6.431,1128 4.595,1129 8.11,1130 6.629,1131 9.85,1132 5.212,1139 -0.032,1140 2.577,1144 16.622,1145 46.833,1146 89.163,1147 106.117,1148 106.117,1149 106.117,1150 106.117,1151 27.75,1152 5.838,1153 72.68,1154 72.68,1155 11,1156 12.204,1157 3,1158 2.459,1159 23.215,1160 31,1161 22,1162 0.434,1163 105.775,1164 179.66,1165 249.85,1166 1764,1168 11.163,1169 0.744,1170 0.588,1171 11.163,1172 8.813,1173 7.037,1174 0.44,1175 0.293,1176 4.568,1177 6.587,1178 4.374,1179 3.693,1180 7.037,1181 4.683,1182 6.657,1183 0.277,1184 0.155,1185 6.657,1186 3.712,1187 5.83,1188 0.171,1189 0.07,1190 5.83,1191 2.375,1192 4.859,1193 0.108,1194 0.036,1195 4.859,1196 1.599,1197 3.294,1198 0.066,1199 0.019,1200 3.294,1201 0.966,1202 0.607,1203 45.404,1204 0.32,1205 14.313,1206 1.446,1207 80,1208 284.739,1209 93.643,1210 268.174,1211 360.86,1212 248,1213 98,1214 267.752,1215 112.948,1216 267.272,1217 397.13,1218 249,1219 5.222} {0 CHEMBL261482,1 1.808,2 8.565,3 -1.718,4 2.951,5 77.099,6 8.214,7 0.385,8 3.844,9 3.959,10 3.469,11 3.22,12 5.035,13 3.279,14 4.376,15 4.529,16 3.847,17 3.593,18 5.56,19 3.635,20 4.626,21 4.808,22 3.959,23 3.656,24 6.009,25 3.698,26 4.624,27 4.814,28 3.903,29 3.643,30 5.976,31 3.681,32 4.575,33 4.762,34 3.755,35 3.594,36 5.93,37 3.602,38 4.512,39 4.72,40 3.663,41 3.516,42 5.759,43 3.518,44 4.424,45 4.639,46 3.49,47 3.366,48 5.748,49 3.343,50 4.243,51 4.518,52 3.089,53 3.135,54 5.425,55 3.069,56 0.237,57 0.627,58 7.485,59 2.689,60 29.896,61 3.631,62 0.551,63 0.915,64 14.652,65 4.683,66 54.814,67 6.358,68 1.104,69 0.969,70 22.283,71 5.45,72 115.548,73 8.001,74 0.998,75 0.941,76 22.454,77 5.46,78 104.911,79 7.807,80 0.943,81 0.871,82 21.106,83 5.403,84 114.17,85 7.609,86 0.827,87 0.799,88 20.819,89 5.169,90 84.857,91 7.596,92 0.769,93 0.707,94 19.071,95 4.655,96 94.437,97 7.077,98 0.659,99 0.562,100 17.946,101 3.566,102 77.597,103 6.152,104 17,105 39,106 0.324,107 0.726,108 0.864,109 0.882,110 0.891,111 0.891,112 3.19,113 0.843,114 -1.32,115 -1.4,116 -1.46,117 33.3,119 2,124 4,125 1,133 1,134 1,135 1,140 1,142 1,143 1,144 1,145 1,146 1,150 1,152 4,154 1,155 2,157 2,161 3,163 1,164 5,165 1,170 3,171 2,173 2,174 4,175 1,182 1,183 2,186 4,187 1,192 1,195 1,196 3,198 2,202 2,203 2,206 3,207 1,208 2,209 1,215 1,216 1,218 1,221 1,222 4,224 1,225 2,226 1,228 1,231 687,232 15.43,233 15.43,234 15.43,235 15.43,236 15.43,237 14.123,238 17.959,239 8.676,240 15.917,241 12.768,242 12.768,243 12.768,244 12.768,245 12.768,246 10.753,247 23.382,248 4.069,249 13.64,250 3.477,251 1.232,252 0.462,253 0.359,254 0.308,255 0.308,256 3.869,262 437,263 2.915,264 43.478,265 105.522,266 58.688,269 88.48,270 1.41,271 41.08,274 0.83,275 1,276 1,277 1,278 0.83,279 0.5,280 0.88,281 53,282 197,283 4.643,284 3.872,285 6.948,286 4.244,287 3.317,288 4.581,289 2.033,290 11.683,291 3.073,292 4.234,293 3.414,294 6.614,295 4.001,296 3.053,297 3.39,298 1.043,299 10.427,300 2.89,301 3.84,302 3.06,303 6.066,304 3.677,305 2.71,306 3.135,307 0.223,308 8.539,309 2.614,310 3.621,311 2.687,312 5.614,313 3.394,314 2.44,315 2.719,317 7.502,318 2.325,319 3.351,320 2.512,321 5.392,322 3.066,323 2.112,324 2.429,326 6.468,327 1.996,328 3.049,329 2.046,330 4.928,331 2.556,332 1.642,333 2.322,335 4.97,336 1.493,337 2.867,338 1.963,339 4.256,340 2.449,341 1.545,342 1.942,343 3.672,344 1.396,345 2.44,346 1.549,347 4.1,348 2.11,349 1.186,350 1.412,351 3.307,352 1.078,353 2.312,354 1.242,355 4.036,356 1.933,357 1.035,358 1.258,359 2.911,360 0.924,361 2.095,362 0.903,363 3.304,364 1.653,365 0.761,366 0.99,367 1.821,368 0.677,369 1.313,370 0.801,371 2.969,372 1.133,373 0.176,374 0.186,376 0.429,377 0.165,378 1.102,379 0.646,380 2.657,381 0.775,382 -0.107,383 -0.12,385 -0.25,386 -0.094,387 0.976,388 -0.095,389 2.367,390 0.571,391 -0.331,392 -0.422,394 -0.752,395 -0.298,396 0.585,397 -0.254,398 2.276,399 0.114,400 -0.804,401 -0.948,403 -2.168,404 -0.728,405 0.27,406 -0.56,407 2,408 0.022,409 -1,410 -1,412 -2.366,413 -0.963,414 10.233,415 0.445,416 0.699,417 0.03,418 27.25,419 1.185,420 10,421 0.435,422 17.25,423 0.75,424 18.602,425 0.809,426 26.367,427 0.676,428 20.395,429 0.887,430 5.222,431 0.227,432 5.837,433 0.254,434 0.137,436 0.479,437 1.012,438 1.634,439 0.747,440 1.184,441 0.908,442 0.916,443 0.951,444 1.237,445 0.879,446 1.188,447 0.797,448 1.041,449 0.967,450 1.046,451 0.879,452 0.966,453 0.988,454 0.91,455 1.177,456 0.916,457 0.983,458 0.932,459 1.158,460 0.91,461 1.214,462 0.965,463 1.164,464 1.083,465 1.339,466 1.111,467 1.163,468 0.939,469 1.013,470 0.981,471 1.038,472 0.964,473 1.064,474 1.076,475 1.105,476 1.17,477 1.161,478 1.175,479 1.014,480 0.753,481 1.032,482 0.719,483 1.048,484 0.847,485 4.5,486 0.037,487 3.611,488 2.326,489 1.558,490 0.747,491 0.61,492 0.354,493 0.148,494 0.066,495 5541,496 17058,497 2.115,498 41,500 4,501 1,502 2,503 5,505 4,507 1.661,508 1.944,509 3.106,510 2.846,515 70.515,516 1.808,517 4.054,518 4.824,519 4.926,520 4.978,521 4.978,522 2.562,523 4.263,524 4.494,525 3.244,526 820.777,527 7.758,528 8999.23,533 206.131,534 1.491,535 4.44,536 0.173,537 0.006,538 0.1,539 0.061,540 0.043,541 0.025,542 0.022,543 0.016,544 0.01,545 0.005,546 0.462,547 0.33,548 1,549 0.636,550 105.644,551 -0.229,552 -0.3,553 0.002,554 -0.021,555 -0.169,556 0.056,557 -0.048,558 -0.044,559 -0.035,560 -0.126,561 -0.066,562 -0.092,563 0.172,564 -0.061,565 0.097,566 0.004,567 0.09,568 0.026,569 -0.035,570 0.063,571 -0.001,572 0.025,573 -0.03,574 0.021,575 -0.085,576 0.016,577 -0.194,578 -0.103,579 -0.074,580 -0.168,581 -0.09,582 -0.011,583 -0.014,584 0.002,585 -0.041,586 0.016,587 -0.016,588 -0.162,589 -0.101,590 -0.213,591 0.001,592 -0.204,593 -0.092,594 0.065,595 0.037,596 0.177,597 -0.045,598 0.157,599 2.671,600 5.107,601 0.739,602 17.07,603 1.034,604 1.151,605 0.088,606 0.008,607 0.632,608 3.296,609 3.689,610 3.989,611 4.277,612 4.454,613 4.595,614 4.718,615 4.836,616 4.844,617 4.796,618 5.237,619 0.631,620 320.35,621 3.296,622 4.875,623 5.771,624 6.686,625 7.596,626 8.515,627 9.431,628 10.351,629 11.27,630 12.192,631 15.4,632 1,634 1,635 3,636 2,637 2,638 3,640 1,641 1,642 10,644 1,648 39,649 11,651 26,652 42,653 13,654 5,659 4,660 5,666 6,668 6,670 6,671 7,673 1,676 1,678 1,681 16,682 9,683 5,684 10,686 1,687 6,689 0.75,690 4,692 2,693 1,696 1,697 1,698 2,699 1,704 1,709 2,710 1,711 3,715 23,716 1,718 2,719 2,720 1,721 1,722 5,729 10.3,730 2,732 1,733 1,735 11.833,736 6.45,737 4.889,738 2.174,739 2.105,740 1.294,741 0.911,742 3.46,743 9.273,744 3.497,745 4.099,746 4.672,747 5.257,748 5.694,749 6.041,750 6.405,751 6.765,752 6.767,753 6.921,754 0.833,755 38,756 8.636,758 4.07,759 8.123,760 15.776,762 13.779,764 2.623,765 60.333,769 129.482,770 33.198,771 103.164,773 121.512,775 33.198,776 250.994,777 103.164,779 23.08,780 118.264,781 125.082,782 12.662,783 14.099,784 94.169,786 129.482,787 136.362,788 121.512,790 82.398,791 72.229,792 96.367,793 46.076,794 39.93,795 50.357,797 129.482,798 224.675,799 33.198,801 129.482,802 15.961,803 19.136,804 18.011,805 204.765,806 129.482,807 224.675,808 33.198,809 0.603,810 0.354,811 0.189,812 0.095,813 22,814 10,815 0.071,816 3,817 1,818 1.118,819 3.505,820 196.383,821 0.118,822 17,823 102.042,825 14.778,826 5.385,827 2.555,828 0.723,829 222.776,830 2.655,831 11.999,833 0.199,834 1.436,835 136.275,836 387.356,837 32,840 12.107,842 -0.43,843 40.338,844 44.903,845 0.342,846 0.767,847 0.913,848 0.932,849 0.942,850 0.942,851 4.792,852 1.186,853 5.796,854 3.672,855 4.369,856 4.783,857 2.34,858 6.688,859 4.238,860 6.013,861 1.035,862 7.416,863 3.307,864 4.205,865 4.758,866 1.593,867 7.776,868 4.045,869 7.344,870 0.761,871 9.136,872 2.911,873 6.066,874 6.982,875 3.313,876 10.889,877 5.816,878 8.708,879 0.176,880 10.911,881 1.821,882 6.673,883 7.794,884 3.201,885 12.76,886 6.379,887 10.105,888 -0.107,889 12.72,890 0.429,891 8.072,892 9.571,893 4.523,894 15.427,895 7.698,896 11.525,897 -0.331,898 14.552,899 -0.25,900 9,901 10.771,902 4.75,903 17.616,904 8.566,905 12.963,906 -0.804,907 16.4,908 -0.752,909 10.242,910 12.387,911 5.835,912 20.133,913 9.731,914 3.317,915 -1,916 18.262,917 -2.168,918 11.306,919 13.766,920 6.251,921 22.458,922 10.726,923 3.053,924 11.683,925 20.134,926 -2.366,927 12.495,928 15.321,929 7.194,930 24.923,931 11.84,932 2.71,933 10.427,934 22.015,935 4.581,936 13.619,937 16.78,938 7.721,939 27.31,940 12.89,941 2.44,942 8.539,943 23.902,944 3.39,945 14.793,946 18.312,947 8.576,948 29.757,949 13.988,950 2.112,951 7.502,952 25.795,953 3.135,954 15.945,955 19.807,956 9.171,957 32.173,958 15.063,959 1.642,960 6.468,961 27.693,962 2.719,963 17.117,964 21.331,965 9.972,966 34.615,967 16.159,968 1.545,969 4.97,970 29.595,971 2.429,972 18.283,973 22.841,974 10.61,975 37.046,976 17.247,977 5238,978 9293,979 17.224,980 24.659,981 40.455,982 41.892,983 42.52,984 39.954,985 39.955,986 48.727,987 6.598,988 123.46,989 37.262,990 5.643,991 5.872,992 6.477,993 5.362,994 5.317,995 7.581,996 3.649,997 19.438,998 5.002,999 11.457,1000 1.556,1001 1.611,1002 1.635,1003 1.537,1004 1.537,1005 1.874,1006 0.254,1007 4.748,1008 1.433,1009 4.106,1010 4.157,1011 4.083,1012 3.906,1013 7.428,1014 3.945,1015 3.912,1016 3.965,1017 3.821,1018 3.766,1019 6.494,1020 3.767,1021 3.764,1022 3.791,1023 3.672,1024 3.582,1025 6.4,1026 3.604,1027 3.357,1028 3.429,1029 3.292,1030 3.1,1031 5.271,1032 3.14,1033 3.2,1034 3.238,1035 3.12,1036 2.911,1037 4.854,1038 2.956,1039 2.991,1040 3.103,1041 2.884,1042 2.683,1043 4.538,1044 2.722,1045 2.781,1046 2.835,1047 2.622,1048 2.401,1049 4.422,1050 2.44,1051 2.629,1052 2.679,1053 2.476,1054 2.155,1055 4.324,1056 2.216,1057 0.179,1058 0.149,1059 0.267,1060 0.163,1061 0.128,1062 4.643,1063 0.176,1064 3.872,1065 0.078,1066 6.948,1067 0.449,1068 4.244,1069 0.118,1070 3.317,1071 4.581,1072 2.033,1073 11.683,1074 3.073,1075 1.797,1076 1.751,1077 1.848,1078 2.008,1079 1.132,1080 1.965,1081 1.608,1082 1.578,1083 1.749,1084 1.836,1085 0.931,1086 1.808,1087 1.515,1088 1.471,1089 1.638,1090 1.795,1091 0.825,1092 1.75,1093 1.238,1094 1.172,1095 1.513,1096 1.528,1097 0.798,1098 1.505,1099 1.153,1100 1.064,1101 1.46,1102 1.376,1103 0.69,1104 1.429,1105 1.043,1106 0.985,1107 1.261,1108 1.333,1109 0.304,1110 1.313,1111 0.802,1112 0.73,1113 1.142,1114 1.222,1115 0.006,1116 1.209,1117 0.782,1118 0.66,1119 0.981,1120 1.061,1122 1.039,1123 3.97,1124 1.946,1125 5.342,1126 4.111,1127 6.903,1128 6.138,1129 8.546,1130 8.097,1131 10.232,1134 5.724,1135 20.379,1136 1.839,1137 2.753,1138 5.578,1139 -4.628,1144 24.622,1145 70.515,1146 158.092,1147 188.131,1148 192.131,1149 194.131,1150 194.131,1151 46.605,1152 7.168,1153 148.41,1154 148.41,1155 19,1156 12.7,1157 3.585,1158 2.807,1159 31.749,1160 71,1161 71,1162 0.223,1163 148.011,1164 250.18,1165 352.907,1166 11032,1168 16.137,1169 0.702,1170 0.523,1171 16.137,1172 12.033,1173 11.059,1174 0.425,1175 0.281,1176 7.128,1177 10.379,1178 7.107,1179 5.751,1180 11.059,1181 7.31,1182 10.415,1183 0.267,1184 0.149,1185 10.415,1186 5.794,1187 8.98,1188 0.169,1189 0.072,1190 8.98,1191 3.793,1192 7.461,1193 0.105,1194 0.036,1195 7.461,1196 2.59,1197 5.595,1198 0.066,1199 0.019,1200 5.595,1201 1.607,1202 0.338,1203 71.497,1204 0.241,1205 22.181,1206 0.645,1207 130,1208 439.996,1209 151.952,1210 409.526,1211 550.61,1212 382,1213 160,1214 399.369,1215 184.946,1216 394.542,1217 593.78,1218 372,1219 8.097} {0 CHEMBL26176,1 1.579,2 6.895,3 1.964,4 3.859,5 72.35,6 6.779,7 0.25,8 3.744,9 3.887,10 3.226,11 3.153,12 4.791,13 3.137,14 4.332,15 4.564,16 3.609,17 3.549,18 5.321,19 3.511,20 4.538,21 4.759,22 3.743,23 3.702,24 5.613,25 3.654,26 4.709,27 4.966,28 3.762,29 3.701,30 5.961,31 3.668,32 4.483,33 4.679,34 3.576,35 3.663,36 5.626,37 3.601,38 4.608,39 4.858,40 3.261,41 3.605,42 5.656,43 3.483,44 4.435,45 4.711,46 2.793,47 3.399,48 5.361,49 3.194,50 4.286,51 4.625,52 2.169,53 3.06,54 5.09,55 2.762,56 0.012,57 0.58,58 9.066,59 3.002,60 5.09,61 4.798,62 0.379,63 0.882,64 17.738,65 4.959,66 19.985,67 8.038,68 0.219,69 1.015,70 21.543,71 6.388,72 21.074,73 10.155,74 0.747,75 1.034,76 27.385,77 5.86,78 100.35,79 10.057,80 0.291,81 0.965,82 20.517,83 5.691,84 34.221,85 9.091,86 0.495,87 0.913,88 24.309,89 5.822,90 67.163,91 9.602,92 0.311,93 0.703,94 20.115,95 5.879,96 43.168,97 9.198,98 0.303,99 0.477,100 17.808,101 5.241,102 51.804,103 8.185,104 45,105 29,106 0.288,107 0.537,108 0.753,109 0.811,110 0.811,111 0.811,112 3.012,113 0.992,114 -3.43,115 -3.41,116 -3.26,117 33.3,118 3,119 1,120 1,122 1,123 2,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 2,158 1,161 3,162 3,170 5,171 4,182 1,183 11,193 6,203 3,210 1,212 1,219 3,229 2,231 363,232 12.336,233 12.336,234 12.336,235 12.336,236 12.336,237 11.566,238 17.751,239 7.147,240 12.655,241 9.768,242 9.768,243 9.768,244 9.768,245 9.768,246 8.366,247 22.25,248 3.251,249 10.263,250 3.706,251 2.345,252 1.161,253 0.847,254 0.847,255 0.847,256 3.656,260 1,261 1,262 262,263 3.082,265 37.736,266 46.305,269 70.976,270 1.069,271 23.583,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 42,282 131,283 4.638,284 3.984,285 7.072,286 4.311,287 3.362,288 4.248,289 1.761,290 12.123,291 3.186,292 3.937,293 3.412,294 6.219,295 3.608,296 2.667,297 3.208,298 1.083,299 9,300 2.507,301 3.634,302 2.975,303 5.934,304 3.398,305 2.446,306 2.796,307 0.526,308 7.932,309 2.321,310 3.134,311 2.436,312 5.028,313 3.003,314 2.016,315 2.253,316 0.064,317 5.425,318 1.986,319 3.091,320 2.056,321 4.655,322 2.775,323 1.803,324 2.119,326 4.973,327 1.735,328 2.429,329 1.663,330 3.976,331 2.079,332 1.13,333 1.405,335 2.729,336 1.07,337 2.134,338 1.363,339 3.669,340 1.88,341 0.933,342 1.068,343 1.78,344 0.88,345 1.911,346 1.032,347 3.209,348 1.517,349 0.517,350 0.67,351 1.363,352 0.51,353 1.736,354 0.905,355 2.888,356 1.3,357 0.278,358 0.355,359 0.595,360 0.278,361 0.821,362 -0.039,363 2.362,364 0.626,365 -0.344,366 -0.38,367 -0.621,368 -0.331,369 0.431,370 -0.284,371 2,372 0.255,373 -0.725,374 -0.802,376 -1.789,377 -0.702,378 0.2,379 -0.588,380 2,382 -1,383 -1,385 -2,386 -1,388 -0.826,389 1.766,390 -0.093,391 -1.112,392 -1.296,394 -2.629,395 -1.111,396 -0.048,397 -1,398 1.565,399 -0.373,400 -1.317,401 -1.562,403 -3.359,404 -1.254,405 -0.153,406 -1.051,407 1.302,408 -0.471,409 -1.448,410 -1.778,412 -4.345,413 -1.373,414 8.767,415 0.461,416 0.618,417 0.033,418 20.75,419 1.092,420 7.5,421 0.395,422 13.25,423 0.697,424 17.287,425 0.91,426 22.433,427 0.575,428 14.755,429 0.777,430 3.741,431 0.197,432 5.227,433 0.275,434 0.304,436 0.422,437 0.697,438 2.007,439 0.846,440 1.515,441 0.529,442 1.241,443 0.587,444 0.924,445 0.743,446 0.81,447 0.488,448 0.791,449 0.738,450 1.402,451 0.785,452 1.259,453 0.773,454 1.059,455 1.364,456 0.74,457 0.927,458 0.602,459 1.342,460 0.664,461 1.286,462 1.384,463 1.289,464 1.339,465 1.169,466 1.308,467 1.685,468 0.932,469 1.489,470 1.025,471 1.614,472 1.189,473 1.131,474 0.986,475 1.335,476 1.249,477 1.11,478 1.324,479 0.915,480 0.688,481 0.919,482 0.881,483 1.218,484 0.929,485 4,487 2.667,488 1.875,489 1.957,490 0.948,491 0.496,492 0.122,493 0.049,495 2447,496 6107,497 1.906,498 51.3,499 9,500 7,502 1,505 3,507 1.613,508 1.701,509 2.77,510 -0.672,512 1,514 1,515 61.586,516 1.579,517 2.94,518 4.124,519 4.439,520 4.439,521 4.439,522 2.275,523 3.537,524 4.214,525 2.871,526 490.905,527 7.233,528 4679.85,529 1,530 1,532 1,533 206.131,534 1.557,535 4.121,536 0.2,538 0.092,539 0.059,540 0.061,541 0.036,542 0.029,543 0.014,544 0.012,546 0.503,547 0.5,548 1,549 1.432,550 79.755,551 -0.009,552 -0.608,553 0.07,554 -0.273,555 -0.024,556 -0.116,557 0.272,558 0.254,559 0.229,560 0.204,561 0.093,562 0.204,563 0.149,564 -0.287,565 0.172,566 -0.19,567 0.062,568 -0.03,569 0.042,570 0.232,571 0.129,572 0.266,573 0.108,574 0.227,575 -0.192,576 -0.191,577 -0.308,578 -0.28,579 -0.089,580 -0.306,581 -0.421,582 0.076,583 -0.474,584 -0.104,585 -0.284,586 -0.27,587 -0.201,588 -0.067,589 -0.382,590 -0.267,591 -0.117,592 -0.345,593 -0.025,594 -0.026,595 0.033,596 0.04,597 -0.089,598 0.037,599 1.965,600 5.233,601 0.474,602 12.742,603 1.003,604 1.147,605 2.201,606 4.845,607 0.616,608 3.045,609 3.401,610 3.714,611 4.025,612 4.234,613 4.331,614 4.317,615 4.234,616 3.951,617 3.497,618 4.228,619 0.583,620 264.37,621 3.045,622 4.595,623 5.468,624 6.382,625 7.288,626 8.211,627 9.129,628 10.055,629 10.978,630 11.905,631 10.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 39,649 7,651 20,652 40,653 13,654 3,657 1,659 2,660 3,662 1,663 3,668 1,670 5,671 8,672 1,673 2,676 2,678 2,679 1,680 1,681 20,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 4,715 19,719 3,722 1,723 2,729 5.1,732 2,735 11.167,736 8.3,737 4.278,738 2.625,739 1.181,740 1.187,741 0.916,742 3.949,743 7.511,744 3.239,745 3.767,746 4.322,747 4.87,748 5.168,749 5.464,750 5.604,751 5.648,752 5.536,753 5.101,754 0.8,755 32,756 7.08,758 2.969,759 7.895,760 13.404,762 10.71,764 2.395,765 45.5,766 0.001,769 235.422,770 64.302,771 24.933,773 50.29,775 64.302,776 285.712,777 24.933,778 34.872,779 12.995,781 92.17,782 1.899,783 9.36,784 223.651,786 235.422,787 89.235,788 50.29,790 200.109,791 85.603,793 49.988,794 22.462,795 16.786,797 235.422,798 75.223,799 64.302,801 235.422,802 20.811,803 51.638,805 67.075,806 235.422,807 75.223,808 64.302,809 0.583,810 0.351,811 0.204,812 0.12,813 14,814 8,815 0.1,816 4,817 1,818 1.222,819 2.878,820 142.013,821 0.222,822 9,823 78.711,825 14.067,826 5.334,827 2.392,829 73.324,830 1.645,831 4.266,833 1.014,834 1.827,836 374.947,837 24.5,840 24.415,842 -0.57,843 39.131,844 44.734,845 0.299,846 0.556,847 0.78,848 0.84,849 0.84,850 0.84,851 4.514,852 0.517,853 5.501,854 1.78,855 4.078,856 4.449,857 2.197,858 6.405,859 3.98,860 5.72,861 0.278,862 7.128,863 1.363,864 3.892,865 4.425,866 1.404,867 7.509,868 3.754,869 7.044,870 -0.344,871 8.86,872 0.595,873 5.753,874 6.566,875 2.804,876 10.68,877 5.541,878 8.407,879 -0.725,880 10.648,881 -0.621,882 6.365,883 7.387,884 2.647,885 12.588,886 6.11,887 9.808,888 -1,889 12.474,890 -1.789,891 7.765,892 9.059,893 3.665,894 15.313,895 7.441,896 11.234,897 -1.112,898 14.324,899 -2,900 8.717,901 10.24,902 3.851,903 17.553,904 8.345,905 12.681,906 -1.317,907 16.193,908 -2.629,909 9.97,910 11.757,911 4.661,912 20.129,913 9.535,914 3.362,915 -1.448,916 18.075,917 -3.359,918 11.068,919 13.091,920 5.029,921 22.512,922 10.583,923 2.667,924 12.123,925 19.969,926 -4.345,927 12.278,928 14.556,929 5.726,930 25.034,931 11.735,932 2.446,933 9,934 21.872,935 4.248,936 13.437,937 15.954,938 6.188,939 27.479,940 12.843,941 2.016,942 7.932,943 23.782,944 3.208,945 14.639,946 17.404,947 6.825,948 29.983,949 13.989,950 1.803,951 5.425,952 25.698,953 2.796,954 15.826,955 18.828,956 7.336,957 32.455,958 15.123,959 1.13,960 4.973,961 27.62,962 2.253,963 17.028,964 20.274,965 7.94,966 34.952,967 16.272,968 0.933,969 2.729,970 29.546,971 2.119,972 18.227,973 21.71,974 8.477,975 37.437,976 17.417,977 2650,978 4323,979 12.255,980 24.023,981 31.239,982 32.813,983 33.126,984 30.373,985 30.302,986 36.241,987 6.869,988 91.84,989 28.945,990 5.589,991 5.878,992 6.838,993 5.384,994 5.362,995 6.946,996 3.071,997 20.123,998 5.074,999 12.406,1000 1.562,1001 1.641,1002 1.656,1003 1.519,1004 1.515,1005 1.812,1006 0.343,1007 4.592,1008 1.447,1009 4.043,1010 4.095,1011 4.015,1012 3.835,1013 7.444,1014 3.873,1015 3.698,1016 3.769,1017 3.568,1018 3.545,1019 7.411,1020 3.534,1021 3.573,1022 3.642,1023 3.437,1024 3.383,1025 4.882,1026 3.38,1027 3.409,1028 3.49,1029 3.25,1030 3.164,1031 4.241,1032 3.188,1033 3.119,1034 3.194,1035 3.023,1036 2.834,1037 4.093,1038 2.861,1039 2.887,1040 3.009,1041 2.701,1042 2.618,1043 4.008,1044 2.63,1045 2.874,1046 2.933,1047 2.541,1048 2.615,1049 3.636,1050 2.57,1051 2.78,1052 2.89,1053 2.499,1054 2.515,1055 3.467,1056 2.499,1057 0.232,1058 0.199,1059 0.354,1060 0.216,1061 0.168,1062 4.638,1063 0.212,1064 3.984,1065 0.088,1066 7.072,1067 0.606,1068 4.311,1069 0.159,1070 3.362,1071 4.248,1072 1.761,1073 12.123,1074 3.186,1075 1.795,1076 1.745,1077 1.986,1078 2.013,1079 1.251,1080 1.991,1081 1.694,1082 1.625,1083 1.942,1084 1.897,1085 1.197,1086 1.914,1087 1.559,1088 1.498,1089 1.749,1090 1.787,1091 0.847,1092 1.791,1093 1.272,1094 1.188,1095 1.524,1096 1.544,1097 0.637,1098 1.544,1099 1.186,1100 1.097,1101 1.468,1102 1.449,1103 0.575,1104 1.468,1105 0.934,1106 0.862,1107 1.417,1108 1.239,1109 0.469,1110 1.308,1111 0.923,1112 0.804,1113 1.213,1114 1.211,1115 0.342,1116 1.202,1117 0.758,1118 0.66,1119 1.151,1120 1.074,1121 0.199,1122 1.103,1123 3.714,1125 5.056,1126 2.398,1127 6.603,1128 4.727,1129 8.261,1130 6.862,1131 9.986,1132 7.628,1136 2.204,1139 0.315,1140 2.756,1144 22.73,1145 61.586,1146 114.665,1147 160.846,1148 173.111,1149 173.111,1150 173.111,1151 41.849,1152 6.33,1153 61.82,1154 61.82,1155 11,1156 12.409,1157 3,1158 2.459,1159 33.249,1160 49,1161 53,1162 0.374,1163 144.144,1164 248.86,1165 343.472,1166 3386,1168 14.154,1169 0.745,1170 0.625,1171 14.154,1172 11.881,1173 8.968,1174 0.448,1175 0.331,1176 6.49,1177 8.499,1178 6.197,1179 5.289,1180 8.968,1181 6.616,1182 8.238,1183 0.284,1184 0.181,1185 8.238,1186 5.261,1187 6.804,1188 0.17,1189 0.078,1190 6.804,1191 3.111,1192 5.71,1193 0.104,1194 0.041,1195 5.71,1196 2.245,1197 4.517,1198 0.066,1199 0.022,1200 4.517,1201 1.498,1202 0.544,1203 57.154,1204 0.286,1205 18.268,1206 1.164,1207 98,1208 308.052,1209 112.003,1210 291.267,1211 393.94,1212 270,1213 118,1214 292.597,1215 134.447,1216 293.739,1217 437.66,1218 273,1219 4.959} {0 CHEMBL26350,1 1.579,2 6.368,3 1.8,4 3.241,5 70.615,6 6.779,7 0.25,8 3.743,9 3.888,10 3.22,11 3.163,12 4.798,13 3.145,14 4.327,15 4.55,16 3.61,17 3.568,18 5.327,19 3.522,20 4.568,21 4.794,22 3.707,23 3.702,24 5.632,25 3.64,26 4.747,27 5.031,28 3.749,29 3.697,30 5.919,31 3.653,32 4.494,33 4.67,34 3.652,35 3.66,36 5.789,37 3.622,38 4.635,39 4.865,40 3.299,41 3.614,42 5.785,43 3.518,44 4.42,45 4.7,46 2.849,47 3.457,48 5.276,49 3.243,50 4.288,51 4.631,52 2.161,53 3.098,54 5.017,55 2.801,56 0.021,57 0.58,58 9.074,59 3.057,60 6.01,61 4.821,62 0.347,63 0.887,64 17.477,65 5.259,66 21.468,67 8.301,68 0.226,69 1.021,70 22.268,71 6.492,72 27.689,73 10.428,74 0.755,75 1.018,76 28.6,77 6.254,78 94.351,79 10.715,80 0.286,81 0.944,82 20.832,83 5.885,84 51.571,85 9.019,86 0.667,87 0.92,88 25.502,89 5.611,90 96.434,91 9.071,92 0.215,93 0.763,94 19.335,95 5.978,96 32.959,97 9.597,98 0.308,99 0.514,100 17.76,101 5.006,102 47.226,103 8.116,104 45,105 29,106 0.288,107 0.539,108 0.661,109 0.67,110 0.698,111 0.726,112 3.012,113 0.987,114 -3.03,115 -3.03,116 -2.92,117 33.3,118 4,120 2,123 2,133 1,139 1,140 1,141 1,142 1,150 4,152 4,153 2,155 2,158 2,161 3,162 4,170 2,171 5,174 3,176 1,182 1,183 12,188 2,193 5,198 1,201 1,203 2,208 2,210 4,219 4,231 361,232 12.121,233 12.121,234 12.121,235 12.121,236 12.121,237 11.351,238 14.589,239 7.026,240 12.397,241 9.84,242 9.84,243 9.84,244 9.84,245 9.84,246 8.521,247 18.073,248 3.302,249 10.27,250 3.706,251 2.335,252 1.667,253 1.616,254 1.462,255 1.308,256 3.655,260 1,261 1,262 243,263 3.317,265 39.894,266 47.173,269 72.969,270 1.019,271 24.423,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 42,282 121,283 4.566,284 3.987,285 6.987,286 4.272,287 3.321,288 4.095,289 1.761,290 11.813,291 3.154,292 3.821,293 3.393,294 6.05,295 3.493,296 2.55,297 3.11,298 1.083,299 8.502,300 2.404,301 3.659,302 2.886,303 5.96,304 3.445,305 2.471,306 2.8,307 0.526,308 8.104,309 2.397,310 3.122,311 2.269,312 4.679,313 3.037,314 2.04,315 2.15,316 0.064,317 5.012,318 2.028,319 3.102,320 2.221,321 4.628,322 2.984,323 1.992,324 2.106,326 4.965,327 1.967,328 2.632,329 1.665,330 3.966,331 2.151,332 1.217,333 1.656,335 2.817,336 1.129,337 2.31,338 1.529,339 3.869,340 1.816,341 0.877,342 1.189,343 2.456,344 0.816,345 1.909,346 1.032,347 3.31,348 1.505,349 0.513,350 0.668,351 1.309,352 0.502,353 1.726,354 0.792,355 2.964,356 1.309,357 0.302,358 0.38,359 0.736,360 0.299,361 0.514,362 -0.167,363 2.316,364 0.302,365 -0.677,366 -0.75,367 -1.792,368 -0.654,369 0.458,370 -0.273,371 2.266,372 0.244,373 -0.774,374 -0.875,376 -2,377 -0.775,378 0.119,379 -0.821,380 2,382 -1,383 -1,385 -2,386 -1,388 -0.89,389 1.509,391 -1,392 -1,394 -2.029,395 -1,397 -1,398 1.461,399 -0.159,400 -1.151,401 -1.503,403 -2.964,404 -1.141,405 -0.053,406 -1,407 1.296,408 -0.465,409 -1.464,410 -1.897,412 -4.225,413 -1.432,414 8.767,415 0.461,416 0.672,417 0.035,418 20.5,419 1.079,420 7.5,421 0.395,422 13,423 0.684,424 17.949,425 0.945,426 22.433,427 0.575,428 14.094,429 0.742,430 3.596,431 0.189,432 5.317,433 0.28,434 0.304,436 0.433,437 0.72,438 1.878,439 0.861,440 1.443,441 0.547,442 1.204,443 0.5,444 1.013,445 0.738,446 0.925,447 0.483,448 0.874,449 0.748,450 1.458,451 0.872,452 1.349,453 0.762,454 1.159,455 1.175,456 0.569,457 0.749,458 0.463,459 1.157,460 0.507,461 1.513,462 1.455,463 1.253,464 1.412,465 1.584,466 1.306,467 2.319,468 0.812,469 1.676,470 0.847,471 2.417,472 1.119,473 0.698,474 1.163,475 1.277,476 1.391,477 0.536,478 1.424,479 0.835,480 0.662,481 0.996,482 0.853,483 0.895,484 0.954,485 4.5,487 2.444,488 1.681,489 1.912,490 0.816,491 0.542,492 0.207,495 2471,496 6137,497 1.906,498 51.3,499 12,500 4,502 1,503 1,505 2,507 1.614,508 1.701,509 2.696,510 -0.198,512 1,514 1,515 61.586,516 1.579,517 2.951,518 3.618,519 3.67,520 3.823,521 3.977,522 2.184,523 3.722,524 4.217,525 2.825,526 483.042,527 7.24,528 4677.25,529 1,530 1,532 1,533 206.131,534 1.557,535 4.121,536 0.225,538 0.084,539 0.056,540 0.06,541 0.029,542 0.03,543 0.021,546 0.505,547 0.5,548 1,549 1.432,550 79.76,551 -0.033,552 -0.476,553 0.055,554 -0.199,555 -0.034,556 -0.077,557 0.308,558 0.175,559 0.218,560 0.133,561 0.103,562 0.148,563 0.13,564 -0.355,565 0.084,566 -0.292,567 0.051,568 -0.138,569 0.12,570 0.33,571 0.295,572 0.386,573 0.138,574 0.385,575 -0.185,576 -0.29,577 -0.245,578 -0.331,579 -0.052,580 -0.301,581 -0.637,582 0.175,583 -0.604,584 0.044,585 -0.481,586 -0.239,587 -0.1,588 -0.167,589 -0.371,590 -0.371,591 -0.036,592 -0.41,593 -0.064,594 0.06,595 -0.054,596 0.048,597 -0.07,598 0.001,599 1.977,600 5.451,601 0.474,602 11.789,603 1.003,604 1.147,605 1.795,606 3.223,607 0.616,608 3.045,609 3.401,610 3.664,611 3.989,612 4.19,613 4.248,614 4.248,615 4.19,616 3.784,617 3.367,618 4.197,619 0.583,620 264.37,621 3.045,622 4.595,623 5.451,624 6.361,625 7.253,626 8.169,627 9.076,628 9.993,629 10.906,630 11.824,631 10.3,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 39,649 7,651 20,652 40,653 13,654 3,657 1,659 2,660 3,662 1,663 4,670 5,671 8,672 2,673 2,676 2,678 2,679 1,680 1,681 20,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 4,715 19,719 2,722 2,723 2,729 5.1,732 2,735 11.167,736 8.183,737 4.167,738 2.538,739 1.135,740 1.181,741 0.914,742 3.949,743 7.41,744 3.239,745 3.744,746 4.24,747 4.769,748 5.024,749 5.279,750 5.404,751 5.504,752 5.376,753 4.991,754 1,755 30,756 7.087,758 2.997,759 7.912,760 13.379,762 10.787,764 2.412,765 45.833,766 0.001,769 223.651,770 62.196,771 39.82,773 50.29,775 62.196,776 273.941,777 39.82,778 35.301,779 10.46,781 92.17,782 21.87,783 4.276,784 211.88,786 223.651,787 102.016,788 50.29,790 200.109,791 73.832,793 76.25,794 8.98,795 16.786,797 223.651,798 90.11,799 62.196,801 223.651,802 18.277,803 50.168,804 16.786,805 67.075,806 223.651,807 90.11,808 62.196,809 0.588,810 0.33,811 0.196,812 0.119,813 14,814 8,815 0.1,816 4,817 1,818 1.222,819 2.888,820 141.137,821 0.222,822 9,823 76.711,825 14.067,826 5.334,827 2.66,829 73.324,830 1.46,831 4.047,832 2.894,833 0.851,835 16.786,836 375.956,837 24.5,840 24.702,842 -0.57,843 39.131,844 44.734,845 0.299,846 0.558,847 0.685,848 0.694,849 0.723,850 0.752,851 4.514,852 0.513,853 5.485,854 2.456,855 4.078,856 4.425,857 2.197,858 6.365,859 3.995,860 5.71,861 0.302,862 7.094,863 1.309,864 3.892,865 4.331,866 1.404,867 7.427,868 3.791,869 7.018,870 -0.677,871 8.807,872 0.736,873 5.727,874 6.471,875 2.804,876 10.581,877 5.544,878 8.36,879 -0.774,880 10.579,881 -1.792,882 6.312,883 7.212,884 2.647,885 12.448,886 6.098,887 9.738,888 -1,889 12.389,890 -2,891 7.702,892 8.877,893 3.665,894 15.161,895 7.413,896 11.143,897 -1,898 14.226,899 -2,900 8.626,901 9.992,902 3.851,903 17.362,904 8.294,905 12.569,906 -1.151,907 16.082,908 -2.029,909 9.87,910 11.488,911 4.661,912 19.922,913 9.472,914 3.321,915 -1.464,916 17.952,917 -2.964,918 10.947,919 12.768,920 5.029,921 22.27,922 10.5,923 2.55,924 11.813,925 19.834,926 -4.225,927 12.148,928 14.205,929 5.726,930 24.774,931 11.641,932 2.471,933 8.502,934 21.725,935 4.095,936 13.291,937 15.557,938 6.188,939 27.188,940 12.733,941 2.04,942 8.104,943 23.624,944 3.11,945 14.483,946 16.973,947 6.825,948 29.671,949 13.869,950 1.992,951 5.012,952 25.529,953 2.8,954 15.657,955 18.356,956 7.336,957 32.114,958 14.99,959 1.217,960 4.965,961 27.439,962 2.15,963 16.849,964 19.766,965 7.94,966 34.589,967 16.128,968 0.877,969 2.817,970 29.354,971 2.106,972 18.036,973 21.164,974 8.477,975 37.046,976 17.263,977 2658,978 4330,979 12.255,980 24.023,981 31.642,982 33.07,983 32.624,984 30.564,985 30.567,986 36.309,987 6.869,988 91.427,989 29.392,990 5.518,991 5.88,992 6.46,993 5.347,994 5.321,995 6.773,996 3.071,997 19.813,998 5.045,999 12.392,1000 1.582,1001 1.653,1002 1.631,1003 1.528,1004 1.528,1005 1.815,1006 0.343,1007 4.571,1008 1.47,1009 4.02,1010 4.073,1011 3.989,1012 3.806,1013 7.444,1014 3.845,1015 3.696,1016 3.767,1017 3.565,1018 3.547,1019 7.411,1020 3.534,1021 3.665,1022 3.736,1023 3.507,1024 3.516,1025 4.943,1026 3.507,1027 3.367,1028 3.424,1029 3.269,1030 3.078,1031 4.264,1032 3.125,1033 3.087,1034 3.139,1035 3.02,1036 2.793,1037 4.22,1038 2.836,1039 2.874,1040 3.009,1041 2.583,1042 2.618,1043 3.768,1044 2.57,1045 2.874,1046 3.009,1047 2.499,1048 2.618,1049 3.616,1050 2.57,1051 2.784,1052 2.851,1053 2.499,1054 2.516,1055 3.467,1056 2.521,1057 0.228,1058 0.199,1059 0.349,1060 0.214,1061 0.166,1062 4.566,1063 0.205,1064 3.987,1065 0.088,1066 6.987,1067 0.591,1068 4.272,1069 0.158,1070 3.321,1071 4.095,1072 1.761,1073 11.813,1074 3.154,1075 1.804,1076 1.753,1077 1.998,1078 2.02,1079 1.262,1080 2.002,1081 1.7,1082 1.633,1083 1.966,1084 1.879,1085 1.229,1086 1.911,1087 1.539,1088 1.488,1089 1.675,1090 1.747,1091 0.792,1092 1.747,1093 1.333,1094 1.25,1095 1.497,1096 1.645,1097 0.537,1098 1.609,1099 1.004,1100 0.953,1101 1.417,1102 1.273,1103 0.469,1104 1.308,1105 0.941,1106 0.848,1107 1.417,1108 1.251,1109 0.469,1110 1.308,1111 0.934,1112 0.804,1113 1.316,1114 1.239,1115 0.422,1116 1.278,1117 0.934,1118 0.804,1119 1.232,1120 1.239,1121 0.327,1122 1.243,1123 3.714,1125 5.056,1126 2.398,1127 6.586,1128 4.595,1129 8.227,1130 6.629,1131 9.938,1132 8.028,1136 0.981,1139 0.545,1140 2.896,1144 22.73,1145 61.586,1146 115.072,1147 141.111,1148 143.111,1149 149.111,1150 155.111,1151 43.981,1152 6.275,1153 72.68,1154 72.68,1155 11,1156 12.335,1157 3,1158 2.459,1159 33.209,1160 49,1161 42,1162 0.371,1163 144.144,1164 248.86,1165 343.472,1166 3183,1168 14.154,1169 0.745,1170 0.621,1171 14.154,1172 11.804,1173 8.914,1174 0.446,1175 0.329,1176 6.468,1177 8.482,1178 6.161,1179 5.273,1180 8.914,1181 6.582,1182 8.564,1183 0.295,1184 0.196,1185 8.564,1186 5.696,1187 6.363,1188 0.167,1189 0.076,1190 6.363,1191 2.894,1192 5.613,1193 0.106,1194 0.041,1195 5.613,1196 2.166,1197 4.536,1198 0.07,1199 0.022,1200 4.536,1201 1.451,1202 0.54,1203 56.619,1204 0.286,1205 18.269,1206 1.157,1207 98,1208 302.739,1209 111.643,1210 287.51,1211 387.06,1212 266,1213 116,1214 285.752,1215 131.614,1216 286.836,1217 426.28,1218 267,1219 5.77} {0 CHEMBL26406,1 1.677,2 6.333,3 1.134,4 1.285,5 67.659,6 7.697,7 0.263,8 3.572,9 3.702,10 3.164,11 3.001,12 4.784,13 3.018,14 4.085,15 4.286,16 3.532,17 3.353,18 5.244,19 3.361,20 4.25,21 4.425,22 3.684,23 3.505,24 5.485,25 3.514,26 4.44,27 4.639,28 3.73,29 3.511,30 5.941,31 3.54,32 4.275,33 4.454,34 3.441,35 3.441,36 5.668,37 3.42,38 4.275,39 4.5,40 3.031,41 3.368,42 5.453,43 3.247,44 4.115,45 4.412,46 2.472,47 3.091,48 5.163,49 2.871,50 3.702,51 4.047,52 1.422,53 2.539,54 4.554,55 2.2,56 0.05,57 0.502,58 6.146,59 2.286,60 9.283,61 3.308,62 0.368,63 0.749,64 12.369,65 3.435,66 15.64,67 5.219,68 0.238,69 0.845,70 14.084,71 4.747,72 28.147,73 6.717,74 0.666,75 0.884,76 19.268,77 4.49,78 88.665,79 6.537,80 0.417,81 0.784,82 15.347,83 4.275,84 61.942,85 5.823,86 0.395,87 0.714,88 16.473,89 5.055,90 59.59,91 7.065,92 0.284,93 0.54,94 15.373,95 4.832,96 50.822,97 7.336,98 0.184,99 0.31,100 10.863,101 3.314,102 36.623,103 5.285,104 34,105 27,106 0.316,107 0.652,108 0.773,109 0.785,110 0.82,111 0.844,112 2.963,113 0.865,114 -2.99,115 -2.99,116 -2.89,117 37.5,122 1,123 2,126 2,127 2,134 1,138 1,140 1,141 1,142 1,150 2,152 6,153 2,161 3,162 2,170 5,171 6,182 1,183 8,193 4,201 1,203 2,210 2,219 1,231 282,232 12.052,233 12.052,234 12.052,235 12.052,236 12.052,237 10.97,238 19.584,239 7.112,240 12.379,241 9.244,242 9.244,243 9.244,244 9.244,245 9.244,246 7.434,247 26.108,248 3.122,249 9.758,250 3.323,251 1.541,252 0.899,253 0.836,254 0.649,255 0.524,256 3.607,261 1,262 230,263 2.739,265 36.197,266 42.926,269 66.53,270 0.815,271 25.252,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 40,282 114,283 4.634,284 3.998,285 7.078,286 4.311,287 3.362,288 4.238,289 1.77,290 12.141,291 3.187,292 3.933,293 3.41,294 6.206,295 3.578,296 2.639,297 3.215,298 1.112,299 8.9,300 2.473,301 3.637,302 2.971,303 6,304 3.38,305 2.434,306 2.801,307 0.695,308 8.256,309 2.291,310 3.043,311 2.322,312 4.799,313 2.607,314 1.644,315 2.164,316 0.477,317 4.678,318 1.568,319 2.795,320 2.093,321 4.198,322 2.341,323 1.377,324 1.766,325 0.074,326 3.32,327 1.323,328 2.756,329 1.708,330 3.777,331 2.274,332 1.274,333 1.658,335 2.46,336 1.268,337 2.371,338 1.174,339 3.451,340 1.81,341 0.873,342 1.242,343 1.87,344 0.815,345 1.938,346 1.032,347 2.923,348 1.373,349 0.368,350 0.527,351 0.723,352 0.365,353 1.802,354 0.948,355 2.759,356 1.221,357 0.202,358 0.284,359 0.364,360 0.202,361 0.828,362 -0.1,363 2,364 0.468,365 -0.491,366 -0.604,367 -0.985,368 -0.465,369 0.653,370 -0.281,371 2,372 0.203,373 -0.801,374 -1.067,376 -1.38,377 -0.779,378 0.483,379 -0.508,380 1.863,381 0.122,382 -0.863,383 -1.216,385 -1.727,386 -0.861,387 0.039,388 -0.764,389 1.653,390 -0.352,391 -1.306,392 -1.687,394 -3.456,395 -1.242,396 -0.124,397 -1.016,398 1.458,399 -0.464,400 -1.476,401 -2,403 -4.218,404 -1.496,405 -0.326,406 -1.271,407 1.327,408 -0.716,409 -1.669,410 -2,411 -0.325,412 -4.653,413 -1.585,414 8.267,415 0.459,416 0.473,417 0.026,418 22.25,419 1.236,420 9.5,421 0.528,422 12.75,423 0.708,424 12.036,425 0.669,426 19.933,427 0.623,428 17.279,429 0.96,430 4.849,431 0.269,432 3.763,433 0.209,434 0.262,436 0.387,437 0.715,438 1.905,439 0.725,440 1.376,441 0.599,442 1.095,443 0.663,444 0.871,445 0.744,446 0.715,447 0.588,448 0.72,449 0.816,450 1.372,451 0.722,452 1.224,453 0.933,454 0.995,455 1.447,456 0.9,457 0.996,458 0.766,459 1.407,460 0.771,461 1.644,462 1.045,463 1.374,464 1.069,465 1.447,466 1.143,467 1.389,468 0.957,469 1.447,470 1.154,471 1.417,472 1.302,473 0.74,474 0.83,475 1.097,476 1.084,477 0.776,478 1.167,479 0.472,480 0.769,481 0.993,482 1.068,483 0.688,484 1.147,485 3,487 2.667,488 2.125,489 1.792,490 0.761,491 0.354,492 0.072,495 2080,496 6592,497 1.931,498 43.8,500 13,502 1,507 1.599,508 1.742,509 2.646,510 -0.654,512 1,514 1,515 53.677,516 1.677,517 3.459,518 4.101,519 4.164,520 4.351,521 4.476,522 1.891,523 3.725,524 4.137,525 2.726,526 417.131,527 7.087,528 3869.52,530 1,533 160,534 1.572,535 4.056,536 0.158,538 0.099,539 0.069,540 0.058,541 0.033,542 0.025,543 0.01,546 0.452,547 0.5,548 1,549 1.449,550 73.493,551 -0.045,552 -0.645,553 0.067,554 -0.303,555 -0.079,556 -0.132,557 0.224,558 0.301,559 0.168,560 0.21,561 0.015,562 0.18,563 0.111,564 -0.276,565 0.178,566 -0.206,567 -0.035,568 -0.034,569 -0.001,570 0.109,571 0.024,572 0.114,573 0.107,574 0.09,575 -0.371,576 0.022,577 -0.429,578 -0.122,579 -0.096,580 -0.255,581 -0.339,582 -0.022,583 -0.485,584 -0.165,585 -0.252,586 -0.331,587 -0.027,588 -0.041,589 -0.093,590 -0.081,591 -0.008,592 -0.101,593 0.108,594 -0.093,595 0.053,596 -0.078,597 -0.06,598 -0.038,599 2.064,600 5.193,601 0.5,602 10.741,603 1.015,604 1.14,605 1.761,606 3.101,607 0.648,608 2.996,609 3.332,610 3.689,611 4.007,612 4.174,613 4.248,614 4.22,615 4.078,616 3.714,617 3.091,618 3.951,619 0.63,620 246.3,621 2.996,622 4.533,623 5.416,624 6.33,625 7.242,626 8.166,627 9.086,628 10.013,629 10.935,630 11.862,631 12.5,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 32,649 9,651 19,652 33,653 12,654 3,657 1,659 2,660 3,662 1,670 9,671 3,673 4,674 2,676 2,677 2,678 2,680 1,681 14,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,707 2,708 2,711 1,713 1,715 18,719 2,723 2,729 6.3,732 2,735 10.333,736 6.133,737 4.194,738 1.708,739 1.332,740 1.215,741 0.939,742 3.344,743 7.539,744 3.277,745 3.767,746 4.322,747 4.878,748 5.153,749 5.407,750 5.583,751 5.634,752 5.564,753 5.13,754 0.6,755 31,756 6.65,758 2.804,759 8.093,760 12.169,762 9.506,764 2.593,765 46.667,766 0.001,769 164.795,770 85.778,771 24.933,773 50.29,775 85.778,776 215.085,777 24.933,778 8.396,779 41.994,780 18.952,781 92.17,782 1.899,783 9.36,784 153.024,786 164.795,787 110.711,788 50.29,790 164.795,791 50.29,793 20.978,794 53.995,795 35.738,797 164.795,798 75.223,799 85.778,801 164.795,802 18.277,803 44.115,805 98.609,806 164.795,807 75.223,808 85.778,809 0.57,810 0.367,811 0.225,812 0.125,813 13,814 7,815 0.121,816 4,817 1,818 1.222,819 2.801,820 131.894,821 0.222,822 9,823 73.059,825 12.583,826 4.783,827 1.901,829 73.324,830 1.517,831 4.099,833 0.783,834 1.607,836 325.796,837 25.5,838 7.16,840 24.367,841 3.113,842 -0.749,843 32.48,844 36.488,845 0.335,846 0.692,847 0.82,848 0.833,849 0.87,850 0.895,851 4.525,852 0.368,853 5.434,854 1.87,855 4.007,856 4.449,857 2.311,858 6.351,859 3.903,860 5.723,861 0.202,862 7.066,863 0.723,864 3.761,865 4.35,866 1.404,867 7.483,868 3.603,869 7.038,870 -0.491,871 8.805,872 0.364,873 5.687,874 6.561,875 2.863,876 10.664,877 5.462,878 8.395,879 -0.801,880 10.605,881 -0.985,882 6.293,883 7.354,884 2.671,885 12.597,886 6.019,887 9.792,888 -0.863,889 12.441,890 -1.38,891 7.719,892 9.047,893 3.708,894 15.317,895 7.381,896 11.217,897 -1.306,898 14.302,899 -1.727,900 8.679,901 10.22,902 3.888,903 17.568,904 8.295,905 12.664,906 -1.476,907 16.179,908 -3.456,909 9.942,910 11.741,911 4.705,912 20.14,913 9.498,914 3.362,915 -1.669,916 18.068,917 -4.218,918 11.047,919 13.072,920 5.075,921 22.528,922 10.555,923 2.639,924 12.141,925 19.967,926 -4.653,927 12.262,928 14.536,929 5.776,930 25.049,931 11.714,932 2.434,933 8.9,934 21.875,935 4.238,936 13.425,937 15.931,938 6.243,939 27.496,940 12.828,941 1.644,942 8.256,943 23.788,944 3.215,945 14.629,946 17.379,947 6.884,948 30,949 13.978,950 1.377,951 4.678,952 25.707,953 2.801,954 15.818,955 18.801,956 7.4,957 32.475,958 15.116,959 1.274,960 3.32,961 27.63,962 2.164,963 17.022,964 20.244,965 8.009,966 34.973,967 16.267,968 0.873,969 2.46,970 29.558,971 1.766,972 18.223,973 21.678,974 8.55,975 37.459,976 17.415,977 2257,978 4102,979 11.849,980 20.739,981 29.66,982 30.822,983 31.391,984 28.451,985 28.344,986 35.792,987 8.255,988 85.424,989 26.983,990 5.582,991 5.888,992 6.838,993 5.386,994 5.362,995 6.931,996 3.082,997 20.141,998 5.077,999 10.829,1000 1.561,1001 1.622,1002 1.652,1003 1.497,1004 1.492,1005 1.884,1006 0.434,1007 4.496,1008 1.42,1009 4.033,1010 4.084,1011 4.008,1012 3.82,1013 7.444,1014 3.862,1015 3.64,1016 3.706,1017 3.551,1018 3.461,1019 7.411,1020 3.466,1021 3.566,1022 3.63,1023 3.43,1024 3.431,1025 4.9,1026 3.421,1027 3.307,1028 3.36,1029 3.194,1030 3.07,1031 4.707,1032 3.101,1033 3.031,1034 3.105,1035 2.971,1036 2.755,1037 4.696,1038 2.788,1039 2.955,1040 3.007,1041 2.761,1042 2.683,1043 3.908,1044 2.699,1045 2.682,1046 2.758,1047 2.459,1048 2.422,1049 3.768,1050 2.419,1051 2.563,1052 2.65,1053 2.294,1054 2.272,1055 3.503,1056 2.264,1057 0.244,1058 0.21,1059 0.373,1060 0.227,1061 0.177,1062 4.634,1063 0.223,1064 3.998,1065 0.093,1066 7.078,1067 0.639,1068 4.311,1069 0.168,1070 3.362,1071 4.238,1072 1.77,1073 12.141,1074 3.187,1075 1.775,1076 1.732,1077 1.9,1078 2.001,1079 1.035,1080 1.964,1081 1.58,1082 1.519,1083 1.813,1084 1.796,1085 0.88,1086 1.791,1087 1.537,1088 1.468,1089 1.756,1090 1.741,1091 0.827,1092 1.764,1093 1.354,1094 1.292,1095 1.517,1096 1.564,1097 0.47,1098 1.564,1099 0.98,1100 0.914,1101 1.247,1102 1.267,1103 0.187,1104 1.261,1105 0.854,1106 0.811,1107 1.167,1108 1.154,1109 0.14,1110 1.135,1111 0.764,1112 0.653,1113 1.113,1114 1.053,1115 0.105,1116 1.084,1117 0.52,1118 0.444,1119 0.738,1120 0.872,1122 0.864,1123 3.664,1125 4.99,1126 2.398,1127 6.541,1128 4.727,1129 8.211,1130 6.843,1131 9.949,1132 1.72,1136 0.486,1140 2.563,1144 20.149,1145 53.677,1146 110.697,1147 131.245,1148 133.245,1149 139.245,1150 143.245,1151 37.597,1152 6.207,1153 61.82,1154 61.82,1155 11,1156 12.367,1157 3.322,1158 2.907,1159 30.542,1160 45,1161 43,1162 0.389,1163 128.697,1164 226.28,1165 305.781,1166 2860,1168 13.284,1169 0.738,1170 0.565,1171 13.284,1172 10.166,1173 8.613,1174 0.453,1175 0.288,1176 5.353,1177 8.14,1178 5.198,1179 4.371,1180 8.613,1181 5.479,1182 7.419,1183 0.275,1184 0.145,1185 7.419,1186 3.914,1187 6.534,1188 0.168,1189 0.069,1190 6.534,1191 2.706,1192 5.811,1193 0.108,1194 0.035,1195 5.811,1196 1.897,1197 4.354,1198 0.068,1199 0.019,1200 4.354,1201 1.196,1202 0.559,1203 55.019,1204 0.291,1205 17.288,1206 1.235,1207 92,1208 318.052,1209 106.003,1210 302.671,1211 406.54,1212 280,1213 112,1214 298.597,1215 128.28,1216 300.176,1217 445.91,1218 279,1219 5.398} {0 CHEMBL26455,1 1.689,2 6.063,3 0.773,4 0.597,5 58.606,6 7.409,7 0.294,8 3.515,9 3.651,10 3.076,11 2.897,12 4.643,13 2.915,14 4.079,15 4.306,16 3.462,17 3.282,18 5.167,19 3.286,20 4.216,21 4.406,22 3.599,23 3.42,24 5.45,25 3.424,26 4.377,27 4.585,28 3.522,29 3.387,30 5.822,31 3.388,32 4.147,33 4.366,34 3.054,35 3.247,36 5.263,37 3.152,38 4.118,39 4.404,40 2.534,41 3.002,42 5.096,43 2.828,44 3.755,45 4.064,46 2.028,47 2.602,48 4.656,49 2.403,50 3.388,51 3.707,52 1.362,53 2.225,54 4.248,55 1.928,56 0.053,57 0.461,58 6.308,59 1.975,60 5.024,61 3.265,62 0.397,63 0.686,64 13.272,65 3.235,66 16.639,67 5.42,68 0.251,69 0.759,70 14.518,71 4.368,72 19.161,73 6.73,74 0.717,75 0.745,76 18.969,77 3.806,78 96.7,79 6.258,80 0.323,81 0.62,82 14.171,83 3.846,84 26.72,85 6.128,86 0.369,87 0.471,88 15.373,89 3.708,90 48.679,91 6.142,92 0.282,93 0.297,94 11.085,95 2.686,96 36.494,97 4.382,98 0.135,99 0.186,100 7.505,101 2.234,102 19.685,103 3.542,104 28,105 25,106 0.328,107 0.603,108 0.783,109 0.796,110 0.835,111 0.835,112 2.856,113 0.915,114 -2.59,115 -2.61,116 -2.54,117 33.3,118 1,119 1,122 2,123 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 1,182 1,183 4,193 3,203 1,212 1,231 230,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.704,238 16.17,239 5.949,240 10.802,241 8.248,242 8.248,243 8.248,244 8.248,245 8.248,246 6.832,247 20.482,248 2.654,249 8.733,250 3.217,251 1.804,252 0.875,253 0.809,254 0.609,255 0.609,256 3.492,261 1,262 196,263 2.345,265 30.097,266 36.026,269 55.906,270 0.953,271 21.464,274 1,275 1,276 1,277 0.5,278 1,279 1,280 0.93,281 36,282 97,283 4.63,284 3.976,285 7.045,286 4.296,287 3.347,288 4.244,289 1.761,290 11.97,291 3.174,292 3.92,293 3.403,294 6.169,295 3.575,296 2.637,297 3.193,298 1.083,299 8.719,300 2.468,301 3.577,302 2.954,303 5.864,304 3.288,305 2.341,306 2.752,307 0.526,308 7.634,309 2.208,310 3.124,311 2.319,312 5.024,313 2.775,314 1.804,315 2.252,316 0.064,317 5.376,318 1.736,319 2.438,320 1.663,321 3.974,322 2.081,323 1.133,324 1.418,326 2.694,327 1.071,328 2.135,329 1.4,330 3.62,331 1.879,332 0.932,333 1.068,335 1.776,336 0.878,337 1.903,338 1.032,339 3.208,340 1.468,341 0.465,342 0.625,343 1.158,344 0.459,345 1.724,346 0.901,347 2.844,348 1.285,349 0.262,350 0.334,351 0.549,352 0.262,353 0.791,354 -0.091,355 2,356 0.577,357 -0.39,358 -0.437,359 -0.671,360 -0.374,361 0.264,362 -0.445,363 2,364 -0.017,365 -1,366 -1.139,367 -2.235,368 -0.958,370 -0.589,371 1.828,372 -0.267,373 -1.26,374 -1.475,376 -3.062,377 -1.251,378 -0.052,379 -0.946,380 1.604,381 -0.453,382 -1.394,383 -1.623,385 -3.705,386 -1.287,387 -0.155,388 -1.159,389 1.35,390 -0.489,391 -1.451,392 -1.844,394 -4.394,395 -1.408,396 -0.475,397 -1.402,398 1.248,399 -0.658,400 -1.61,401 -2,402 -0.4,403 -4.987,404 -1.566,405 -0.65,406 -1.738,407 1.186,408 -0.946,409 -1.88,410 -2.11,411 -0.66,412 -5.896,413 -1.757,414 7.267,415 0.454,416 0.511,417 0.032,418 19.25,419 1.203,420 7.5,421 0.469,422 11.75,423 0.734,424 11.544,425 0.722,426 18.533,427 0.618,428 13.357,429 0.835,430 3.797,431 0.237,432 3.778,433 0.236,434 0.298,436 0.44,437 0.713,438 2.119,439 0.748,440 1.528,441 0.516,442 1.187,443 0.63,444 0.757,445 0.674,446 0.605,447 0.511,448 0.618,449 0.769,450 1.398,451 0.695,452 1.265,453 0.821,454 1.003,455 1.52,456 0.865,457 1.197,458 0.792,459 1.571,460 0.903,461 1.093,462 1.198,463 1.381,464 1.368,465 0.951,466 1.42,467 1.158,468 0.861,469 1.253,470 1.045,471 1.163,472 1.159,473 1.14,474 0.582,475 1.125,476 0.793,477 1.183,478 0.946,479 0.617,480 0.933,481 0.996,482 1.274,483 0.82,484 1.259,485 3,487 2.667,488 1.75,489 1.597,490 0.553,491 0.183,492 0.059,495 1522,496 4534,497 1.923,498 46.7,499 3,500 8,502 1,505 2,507 1.56,508 1.714,509 2.6,510 -0.612,512 1,514 1,515 50.684,516 1.689,517 3.103,518 4.031,519 4.098,520 4.298,521 4.298,522 2.149,523 3.875,524 3.969,525 2.647,526 317.644,527 6.73,528 2658.31,530 1,533 147.207,534 1.546,535 3.873,536 0.176,538 0.107,539 0.062,540 0.067,541 0.039,542 0.026,543 0.015,546 0.493,547 0.67,548 1,549 1.274,550 62.055,551 -0.048,552 -0.763,553 0.075,554 -0.355,555 -0.03,556 -0.15,557 0.222,558 0.395,559 0.266,560 0.346,561 0.072,562 0.32,563 0.122,564 -0.268,565 0.217,566 -0.188,567 0.066,568 0.006,569 -0.096,570 0.137,571 -0.174,572 0.089,573 0.004,574 -0.038,575 -0.199,576 -0.123,577 -0.467,578 -0.362,579 -0.107,580 -0.455,581 -0.211,582 -0.043,583 -0.263,584 -0.126,585 -0.162,586 -0.195,587 -0.174,588 0.142,589 -0.106,590 0.112,591 -0.136,592 0.03,593 0.092,594 -0.257,595 -0.019,596 -0.278,597 -0.013,598 -0.198,599 2.015,600 4.947,601 0.563,602 8.547,603 1.016,604 1.15,605 1.357,606 1.841,607 0.625,608 2.89,609 3.258,610 3.611,611 3.871,612 4.025,613 4.078,614 3.97,615 3.829,616 3.466,617 2.773,618 3.669,619 0.605,620 222.28,621 2.89,622 4.443,623 5.333,624 6.244,625 7.157,626 8.076,627 8.995,628 9.916,629 10.836,630 11.758,631 13.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 30,649 7,651 17,652 31,653 10,654 3,657 1,659 2,660 3,662 1,663 1,668 1,670 5,671 5,673 2,676 2,678 2,680 1,681 14,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 16,719 2,723 2,729 6.7,732 2,735 9.333,736 6.467,737 3.611,738 1.892,739 1.22,740 1.203,741 0.933,742 2.72,743 7.224,744 3.114,745 3.67,746 4.268,747 4.79,748 5.047,749 5.316,750 5.379,751 5.396,752 5.233,753 4.486,754 1,755 28,756 5.93,758 2.508,759 8.042,760 11.014,762 8.701,764 2.542,765 40.667,766 0.002,769 164.795,770 52.942,771 24.933,773 50.29,775 52.942,776 215.085,777 24.933,778 25.618,779 10.889,781 92.17,782 1.899,783 9.36,784 153.024,786 164.795,787 77.875,788 50.29,790 141.253,791 73.832,793 30.232,794 30.858,795 16.786,797 164.795,798 75.223,799 52.942,801 164.795,802 18.705,803 42.384,805 67.075,806 164.795,807 75.223,808 52.942,809 0.591,810 0.382,811 0.208,812 0.109,813 13,814 7,815 0.065,816 2,817 1,818 1.222,819 2.625,820 112.085,821 0.222,822 9,823 64,825 11.144,826 3.905,827 1.553,829 73.324,830 1.606,831 4.112,833 0.938,834 1.789,836 292.96,837 21.5,840 23.594,842 -0.636,843 30.48,844 34.488,845 0.344,846 0.632,847 0.822,848 0.835,849 0.876,850 0.876,851 4.385,852 0.262,853 5.371,854 1.158,855 3.932,856 4.35,857 2.197,858 6.29,859 3.823,860 5.605,861 -0.39,862 7.015,863 0.549,864 3.761,865 4.35,866 1.404,867 7.413,868 3.603,869 6.942,870 -1,871 8.761,872 -0.671,873 5.631,874 6.515,875 2.804,876 10.584,877 5.404,878 8.32,879 -1.26,880 10.563,881 -2.235,882 6.275,883 7.356,884 2.647,885 12.488,886 6.003,887 9.734,888 -1.394,889 12.397,890 -3.062,891 7.671,892 9.033,893 3.665,894 15.213,895 7.334,896 11.171,897 -1.451,898 14.254,899 -3.705,900 8.643,901 10.222,902 3.851,903 17.439,904 8.262,905 12.627,906 -1.61,907 16.126,908 -4.394,909 9.893,910 11.741,911 4.661,912 20.013,913 9.453,914 3.347,915 -1.88,916 18.01,917 -4.987,918 11,919 13.078,920 5.029,921 22.381,922 10.512,923 2.637,924 11.97,925 19.904,926 -5.896,927 12.208,928 14.544,929 5.726,930 24.898,931 11.666,932 2.341,933 8.719,934 21.806,935 4.244,936 13.37,937 15.942,938 6.188,939 27.33,940 12.778,941 1.804,942 7.634,943 23.715,944 3.193,945 14.57,946 17.392,947 6.825,948 29.825,949 13.925,950 1.133,951 5.376,952 25.63,953 2.752,954 15.755,955 18.817,956 7.336,957 32.285,958 15.06,959 0.932,960 2.694,961 27.549,962 2.252,963 16.955,964 20.262,965 7.94,966 34.772,967 16.207,968 0.465,969 1.776,970 29.473,971 1.418,972 18.152,973 21.698,974 8.477,975 37.244,976 17.352,977 1664,978 2975,979 10.463,980 18.739,981 26.668,982 28.143,983 28.634,984 25.952,985 25.845,986 31.774,987 6.869,988 79.751,989 24.512,990 5.576,991 5.867,992 6.811,993 5.37,994 5.347,995 6.942,996 3.071,997 19.97,998 5.062,999 9.807,1000 1.569,1001 1.655,1002 1.684,1003 1.527,1004 1.52,1005 1.869,1006 0.404,1007 4.691,1008 1.442,1009 4.035,1010 4.087,1011 4.008,1012 3.823,1013 7.444,1014 3.863,1015 3.619,1016 3.688,1017 3.518,1018 3.41,1019 7.411,1020 3.414,1021 3.41,1022 3.491,1023 3.251,1024 3.172,1025 4.884,1026 3.193,1027 3.273,1028 3.363,1029 3.138,1030 3.001,1031 4.119,1032 3.014,1033 2.887,1034 2.953,1035 2.735,1036 2.621,1037 4.042,1038 2.63,1039 2.793,1040 2.892,1041 2.572,1042 2.52,1043 3.895,1044 2.506,1045 2.78,1046 2.808,1047 2.512,1048 2.456,1049 3.495,1050 2.488,1051 2.244,1052 2.34,1053 2.054,1054 2.022,1055 3.162,1056 2.024,1057 0.272,1058 0.234,1059 0.414,1060 0.253,1061 0.197,1062 4.63,1063 0.25,1064 3.976,1065 0.104,1066 7.045,1067 0.704,1068 4.296,1069 0.187,1070 3.347,1071 4.244,1072 1.761,1073 11.97,1074 3.174,1075 1.764,1076 1.716,1077 1.948,1078 1.996,1079 1.202,1080 1.966,1081 1.618,1082 1.55,1083 1.801,1084 1.861,1085 0.894,1086 1.856,1087 1.305,1088 1.221,1089 1.605,1090 1.584,1091 0.659,1092 1.59,1093 1.221,1094 1.123,1095 1.524,1096 1.5,1097 0.635,1098 1.523,1099 1.063,1100 0.991,1101 1.302,1102 1.315,1103 0.361,1104 1.319,1105 0.759,1106 0.662,1107 1.151,1108 1.077,1109 0.201,1110 1.104,1111 0.645,1112 0.612,1113 0.794,1114 1.004,1116 0.94,1117 0.411,1118 0.367,1119 0.714,1120 0.774,1122 0.731,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.148,1130 6.862,1131 9.883,1132 5.124,1136 1.64,1140 2.499,1144 18.149,1145 50.684,1146 93.101,1147 120.942,1148 122.942,1149 128.942,1150 128.942,1151 29.644,1152 6.004,1153 61.82,1154 61.82,1155 11,1156 12.266,1157 3,1158 2.459,1159 25.677,1160 35,1161 41,1162 0.402,1163 115.367,1164 196.96,1165 273.256,1166 2217,1168 11.87,1169 0.742,1170 0.6,1171 11.87,1172 9.597,1173 7.575,1174 0.446,1175 0.305,1176 5.054,1177 7.095,1178 4.853,1179 4.109,1180 7.575,1181 5.184,1182 6.804,1183 0.272,1184 0.153,1185 6.804,1186 3.816,1187 6.339,1188 0.176,1189 0.074,1190 6.339,1191 2.682,1192 4.979,1193 0.106,1194 0.038,1195 4.979,1196 1.807,1197 3.633,1198 0.066,1199 0.02,1200 3.633,1201 1.095,1202 0.576,1203 48.875,1204 0.309,1205 15.46,1206 1.285,1207 84,1208 294.052,1209 97.67,1210 276.342,1211 372.22,1212 256,1213 103,1214 275.245,1215 118.947,1216 276.052,1217 410.25,1218 256,1219 4.959} {0 CHEMBL26606,1 1.568,2 8.522,3 2.675,4 7.158,5 87.69,6 7.265,7 0.44,8 3.855,9 3.985,10 3.407,11 3.346,12 4.952,13 3.333,14 4.411,15 4.613,16 3.787,17 3.746,18 5.458,19 3.713,20 4.63,21 4.823,22 3.893,23 3.892,24 5.73,25 3.839,26 4.817,27 5.067,28 3.889,29 3.859,30 6.042,31 3.817,32 4.59,33 4.785,34 3.783,35 3.829,36 5.736,37 3.782,38 4.701,39 4.929,40 3.633,41 3.831,42 5.792,43 3.744,44 4.598,45 4.85,46 3.395,47 3.676,48 5.639,49 3.55,50 4.431,51 4.71,52 3.061,53 3.439,54 5.438,55 3.284,56 0.011,57 0.662,58 9.003,59 3.583,60 5.89,61 5.067,62 0.363,63 1.052,64 17.794,65 5.865,66 19.331,67 8.609,68 0.177,69 1.235,70 21.906,71 7.942,72 21.599,73 11.345,74 0.744,75 1.304,76 29.955,77 7.594,78 104.88,79 11.585,80 0.304,81 1.171,82 21.584,83 6.667,84 35.584,85 9.658,86 0.421,87 1.208,88 25.462,89 7.377,90 64.88,91 10.764,92 0.301,93 1.03,94 23.257,95 7.344,96 45.611,97 10.758,98 0.318,99 0.79,100 20.651,101 6.622,102 55.559,103 9.547,104 28,105 36,106 0.274,107 0.598,108 0.768,109 0.799,110 0.81,111 0.81,112 3.19,113 0.921,114 -4.2,115 -4.14,116 -3.91,117 39.5,118 2,120 1,122 1,123 2,130 5,131 1,134 1,138 1,140 1,141 1,142 1,150 8,152 6,153 2,158 7,161 3,162 4,167 3,170 5,171 6,182 1,183 13,193 11,203 10,210 1,212 5,219 4,222 2,229 6,231 703,232 15.19,233 15.19,234 15.19,235 15.19,236 15.19,237 13.669,238 21.389,239 8.858,240 15.5,241 12.303,242 12.303,243 12.303,244 12.303,245 12.303,246 9.883,247 33.307,248 4.2,249 12.783,250 3.859,251 2.01,252 1.038,253 0.861,254 0.797,255 0.797,256 3.863,260 1,261 1,262 412,263 3,265 46.189,266 126.028,269 87.45,270 1.369,271 24.679,272 1,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 50,282 196,283 4.641,284 3.984,285 7.074,286 4.314,287 3.365,288 4.253,289 1.761,290 12.131,291 3.189,292 4.001,293 3.415,294 6.23,295 3.675,296 2.723,297 3.458,298 1.083,299 9.07,300 2.597,301 3.817,302 3.027,303 5.934,304 3.43,305 2.451,306 3.181,307 0.526,308 7.934,309 2.404,310 3.634,311 2.729,312 5.424,313 3.385,314 2.424,315 2.795,316 0.522,317 7.089,318 2.306,319 3.124,320 2.315,321 4.882,322 3.001,323 2.01,324 2.27,325 0.064,326 5.112,327 1.985,328 3.085,329 1.991,330 4.655,331 2.684,332 1.712,333 2.123,335 4.94,336 1.653,337 2.824,338 1.663,339 3.975,340 2.361,341 1.375,342 1.948,343 3.02,344 1.351,345 2.5,346 1.528,347 3.679,348 2,349 1.036,350 1.5,351 2.7,352 1,353 2.404,354 1.148,355 3.557,356 1.949,357 1,358 1.362,359 2.136,360 0.944,361 1.932,362 1.031,363 3.247,364 1.526,365 0.522,366 0.678,367 1.398,368 0.516,369 1.764,370 1,371 3.06,372 1.324,373 0.309,374 0.394,376 0.706,377 0.307,378 1.216,379 0.221,380 2.711,381 0.896,382 -0.083,383 -0.103,385 -0.216,386 -0.081,387 0.652,388 -0.218,389 2.337,390 0.36,391 -0.625,392 -0.717,394 -1.598,395 -0.609,396 0.5,397 -0.393,398 2,399 0.097,400 -0.891,401 -1,403 -2,404 -0.868,405 0.397,406 -0.76,407 2,409 -1,410 -1.118,412 -2.263,413 -1,414 10.767,415 0.468,416 0.686,417 0.03,418 29.25,419 1.272,420 13.5,421 0.587,422 15.75,423 0.685,424 18.717,425 0.814,426 25.233,427 0.587,428 21.737,429 0.945,430 5.699,431 0.248,432 5.287,433 0.23,434 0.201,436 0.39,437 0.685,438 1.676,439 0.777,440 1.268,441 0.528,442 1.068,443 0.607,444 0.868,445 0.773,446 0.79,447 0.521,448 0.792,449 0.724,450 1.417,451 0.877,452 1.325,453 0.801,454 1.161,455 1.354,456 0.777,457 0.933,458 0.648,459 1.327,460 0.7,461 1.296,462 1.197,463 1.154,464 1.097,465 1.128,466 1.089,467 1.55,468 0.992,469 1.311,470 0.991,471 1.471,472 1.085,473 1.181,474 1.021,475 1.173,476 1.107,477 1.114,478 1.132,479 1.236,480 0.757,481 1.035,482 0.875,483 1.425,484 0.93,485 4.5,486 0.05,487 2.667,488 1.938,489 1.983,490 0.98,491 0.689,492 0.262,493 0.193,494 0.111,495 4900,496 12537,497 2.016,498 46.5,499 6,500 12,502 1,505 1,507 1.663,508 1.84,509 3.067,510 -0.729,511 1,512 1,514 1,515 67.404,516 1.568,517 3.416,518 4.388,519 4.565,520 4.629,521 4.629,522 2.562,523 3.741,524 4.491,525 3.207,526 811.327,527 7.768,528 8894.88,530 1,532 1,533 233.329,534 1.538,535 4.428,536 0.18,537 0.008,538 0.074,539 0.051,540 0.054,541 0.029,542 0.025,543 0.012,544 0.013,545 0.01,546 0.456,547 0.33,548 1,549 1.069,550 105.308,551 -0.008,552 -0.431,553 0.071,554 -0.178,555 -0.031,556 -0.067,557 0.257,558 0.294,559 0.16,560 0.189,561 0.066,562 0.16,563 0.147,564 -0.348,565 0.048,566 -0.299,567 0.033,568 -0.172,569 0.059,570 0.199,571 0.122,572 0.233,573 0.101,574 0.199,575 -0.171,576 -0.091,577 -0.196,578 -0.129,579 -0.064,580 -0.156,581 -0.335,582 0.03,583 -0.316,584 -0.056,585 -0.223,586 -0.159,587 -0.163,588 -0.078,589 -0.187,590 -0.143,591 -0.063,592 -0.161,593 -0.139,594 0.069,595 -0.013,596 0.099,597 -0.116,598 0.067,599 1.985,600 5.548,601 0.652,602 18.416,603 1.003,604 1.133,605 2.965,606 8.793,607 0.652,608 3.258,609 3.611,610 3.912,611 4.22,612 4.454,613 4.554,614 4.644,615 4.71,616 4.691,617 4.644,618 5.14,619 0.622,620 312.41,621 3.258,622 4.812,623 5.68,624 6.583,625 7.479,626 8.393,627 9.301,628 10.22,629 11.136,630 12.058,631 9.3,634 2,635 1,637 6,638 1,640 3,641 1,642 11,648 43,649 13,650 1,651 25,652 45,653 17,654 9,655 1,656 5,657 1,659 3,660 4,662 1,663 2,670 11,671 6,672 1,673 2,676 2,678 2,679 1,680 1,681 20,682 5,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 3,715 23,719 2,722 1,723 2,729 4.7,732 2,735 12.5,736 8.717,737 5.028,738 2.611,739 2.139,740 1.305,741 0.96,742 4.225,743 9.157,744 3.512,745 4.073,746 4.626,747 5.181,748 5.574,749 5.816,750 6.132,751 6.44,752 6.707,753 6.907,754 0.833,755 38,756 8.55,758 3.654,759 7.833,760 16.191,762 13.194,764 2.333,765 53.667,768 1,769 235.422,770 103.509,771 24.933,773 50.29,775 103.509,776 285.712,777 24.933,778 26.047,779 10.46,780 47.381,781 92.17,782 5.085,783 9.36,784 223.651,786 235.422,787 128.442,788 50.29,790 223.651,791 62.061,793 38.628,794 73.028,795 16.786,797 235.422,798 75.223,799 103.509,801 235.422,802 21.462,803 90.194,805 67.075,806 235.422,807 75.223,808 103.509,809 0.588,810 0.345,811 0.194,812 0.112,813 18,814 9,815 0.089,816 4,817 1,818 1.133,819 3.362,820 189.722,821 0.133,822 15,823 98.042,825 15.754,826 6.168,827 2.888,829 73.324,830 11.508,831 4.343,833 2.009,834 1.809,836 414.154,837 32.5,840 24.931,842 -0.625,843 43.131,844 48.734,845 0.289,846 0.63,847 0.809,848 0.841,849 0.853,850 0.853,851 4.769,852 1.036,853 5.694,854 3.02,855 4.29,856 4.758,857 2.256,858 6.564,859 4.213,860 5.974,861 1,862 7.294,863 2.7,864 4.007,865 4.575,866 1.404,867 7.594,868 3.886,869 7.285,870 0.522,871 8.998,872 2.136,873 5.932,874 6.878,875 2.813,876 10.764,877 5.758,878 8.631,879 0.309,880 10.764,881 1.398,882 6.463,883 7.527,884 2.647,885 12.635,886 6.233,887 10.013,888 -0.083,889 12.57,890 0.706,891 7.899,892 9.322,893 3.666,894 15.356,895 7.617,896 11.421,897 -0.625,898 14.404,899 -0.216,900 8.796,901 10.364,902 3.851,903 17.579,904 8.453,905 12.85,906 -0.891,907 16.259,908 -1.598,909 10.063,910 11.955,911 4.661,912 20.152,913 9.667,914 3.365,915 -1,916 18.13,917 -2,918 11.129,919 13.194,920 5.029,921 22.528,922 10.671,923 2.723,924 12.131,925 20.015,926 -2.263,927 12.341,928 14.699,929 5.726,930 25.049,931 11.83,932 2.451,933 9.07,934 21.91,935 4.253,936 13.484,937 16.038,938 6.188,939 27.492,940 12.912,941 2.424,942 7.934,943 23.814,944 3.458,945 14.684,946 17.505,947 6.825,948 29.995,949 14.057,950 2.01,951 7.089,952 25.725,953 3.181,954 15.861,955 18.895,956 7.336,957 32.467,958 15.177,959 1.712,960 5.112,961 27.642,962 2.795,963 17.062,964 20.348,965 7.94,966 34.964,967 16.322,968 1.375,969 4.94,970 29.565,971 2.27,972 18.256,973 21.765,974 8.477,975 37.449,976 17.46,977 4897,978 7971,979 16.126,980 28.023,981 38.851,982 40.378,983 40.074,984 37.913,985 37.854,986 47.924,987 7.912,988 112.472,989 36.504,990 5.593,991 5.984,992 6.876,993 5.388,994 5.365,995 7.253,996 3.071,997 20.131,998 5.189,999 12.961,1000 1.554,1001 1.615,1002 1.603,1003 1.517,1004 1.514,1005 1.917,1006 0.316,1007 4.499,1008 1.46,1009 4.061,1010 4.11,1011 4.03,1012 3.904,1013 7.444,1014 3.921,1015 3.864,1016 3.899,1017 3.797,1018 3.751,1019 7.411,1020 3.767,1021 3.674,1022 3.743,1023 3.537,1024 3.529,1025 4.898,1026 3.518,1027 3.5,1028 3.566,1029 3.412,1030 3.231,1031 4.723,1032 3.269,1033 3.148,1034 3.23,1035 3.036,1036 2.94,1037 4.24,1038 2.937,1039 3.022,1040 3.074,1041 2.912,1042 2.801,1043 4.009,1044 2.827,1045 2.874,1046 3.009,1047 2.687,1048 2.735,1049 3.823,1050 2.715,1051 2.87,1052 2.925,1053 2.677,1054 2.618,1055 3.674,1056 2.611,1057 0.186,1058 0.159,1059 0.283,1060 0.173,1061 0.135,1062 4.641,1063 0.17,1064 3.984,1065 0.07,1066 7.074,1067 0.485,1068 4.314,1069 0.128,1070 3.365,1071 4.253,1072 1.761,1073 12.131,1074 3.189,1075 1.922,1076 1.89,1077 2.047,1078 2.038,1079 1.25,1080 2.035,1081 1.776,1082 1.726,1083 1.983,1084 1.972,1085 1.179,1086 1.968,1087 1.619,1088 1.565,1089 1.769,1090 1.821,1091 0.883,1092 1.824,1093 1.415,1094 1.342,1095 1.612,1096 1.673,1097 0.725,1098 1.656,1099 1.192,1100 1.103,1101 1.47,1102 1.458,1103 0.586,1104 1.471,1105 0.946,1106 0.898,1107 1.417,1108 1.239,1109 0.469,1110 1.308,1111 0.934,1112 0.848,1113 1.213,1114 1.211,1115 0.362,1116 1.204,1117 0.922,1118 0.821,1119 1.19,1120 1.156,1121 0.218,1122 1.172,1123 3.932,1125 5.273,1126 2.398,1127 6.812,1128 4.727,1129 8.453,1130 6.862,1131 10.156,1132 5.579,1136 1.082,1139 0.285,1140 2.747,1144 26.73,1145 67.404,1146 146.907,1147 188.7,1148 196.31,1149 199.065,1150 199.065,1151 44.645,1152 7.018,1153 61.82,1154 61.82,1155 17,1156 12.567,1157 3.807,1158 3.087,1159 36.584,1160 69,1161 75,1162 0.266,1163 166.338,1164 286.88,1165 397.625,1166 9045,1168 16.56,1169 0.72,1170 0.59,1171 16.56,1172 13.561,1173 10.986,1174 0.439,1175 0.307,1176 7.547,1177 10.521,1178 7.255,1179 6.123,1180 10.986,1181 7.673,1182 10.189,1183 0.283,1184 0.172,1185 10.189,1186 6.181,1187 8.505,1188 0.174,1189 0.078,1190 8.505,1191 3.843,1192 7.129,1193 0.106,1194 0.041,1195 7.129,1196 2.735,1197 5.789,1198 0.068,1199 0.022,1200 5.789,1201 1.876,1202 0.401,1203 69.26,1204 0.249,1205 22.06,1206 0.785,1207 122,1208 364.052,1209 136.003,1210 350.434,1211 477.63,1212 326,1213 146,1214 354.597,1215 162.613,1216 359.865,1217 531.87,1218 335,1219 4.959} {0 CHEMBL27047,1 1.754,2 7.9,3 1.074,4 1.154,5 69.435,6 8.509,7 0.5,8 3.62,9 3.729,10 3.285,11 3.083,12 4.884,13 3.124,14 4.111,15 4.273,16 3.7,17 3.473,18 5.385,19 3.506,20 4.291,21 4.426,22 3.804,23 3.574,24 5.702,25 3.61,26 4.425,27 4.607,28 3.649,29 3.504,30 5.894,31 3.515,32 4.205,33 4.43,34 3.299,35 3.35,36 5.383,37 3.294,38 4.004,39 4.223,40 3.175,41 3.155,42 5.24,43 3.115,44 3.84,45 4.014,46 3.077,47 3.03,48 5.181,49 3.02,50 3.812,51 4.026,52 2.736,53 2.864,54 5.061,55 2.777,56 0.134,57 0.517,58 5.141,59 2.372,60 11.681,61 2.752,62 0.377,63 0.802,64 10.468,65 3.835,66 14.898,67 4.862,68 0.361,69 0.903,70 11.741,71 4.83,72 33.566,73 5.684,74 0.805,75 0.903,76 17.157,77 4.624,78 103.249,79 5.463,80 0.405,81 0.744,82 14.017,83 4.483,84 45.518,85 6.115,86 0.383,87 0.582,88 12.033,89 3.875,90 42.373,91 5.226,92 0.276,93 0.5,94 8.87,95 3.181,96 26.076,97 3.748,98 0.311,99 0.426,100 9.985,101 3.514,102 34.285,103 4.521,104 26,105 33,106 0.326,107 0.712,108 0.759,109 0.794,110 0.828,111 0.828,112 3.059,113 0.81,114 -2.55,115 -2.58,116 -2.52,117 40.6,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,150 4,152 4,153 1,155 2,157 3,158 4,161 3,162 2,166 4,167 2,170 2,171 3,174 3,176 3,182 1,183 4,193 7,196 1,197 1,203 6,212 2,215 1,225 2,231 398,232 13.069,233 13.069,234 13.069,235 13.069,236 13.069,237 11.613,238 13.583,239 7.274,240 13.378,241 10.754,242 10.754,243 10.754,244 10.754,245 10.754,246 8.341,247 15.7,248 3.421,249 11.237,250 3.246,251 1.172,252 0.922,253 0.735,254 0.547,255 0.547,256 3.728,261 1,262 336,263 2.121,265 37.582,266 107.144,269 73.082,270 1.22,271 29.702,274 1,275 1,276 0.4,278 1,279 1,280 0.77,281 45,282 158,283 4.605,284 3.968,285 6.94,286 4.271,287 3.32,288 4.237,289 1.761,290 11.56,291 3.154,292 4.164,293 3.385,294 6.197,295 3.801,296 2.833,297 3.684,298 1.083,299 9.148,300 2.744,301 3.802,302 3.002,303 5.845,304 3.385,305 2.427,306 3.185,307 0.526,308 7.686,309 2.32,310 3.588,311 2.705,312 5.839,313 3.287,314 2.324,315 2.812,316 0.064,317 7.555,318 2.223,319 3.472,320 2.424,321 5.034,322 3.112,323 2.155,324 2.693,326 6.033,327 2.049,328 2.749,329 1.72,330 4.297,331 2.265,332 1.314,333 1.835,335 3.792,336 1.242,337 2.5,338 1.662,339 4.029,340 2,341 1,342 1.5,343 2.544,344 1,345 2.338,346 1.216,347 3.63,348 1.809,349 0.872,350 1.207,351 2.275,352 0.809,353 1.944,354 1,355 3.414,356 1.551,357 0.551,358 0.713,359 1.382,360 0.543,361 1.69,362 0.818,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 1.115,370 0.098,371 2.538,372 0.727,373 -0.21,374 -0.264,376 -0.466,377 -0.194,378 0.5,379 -0.431,380 2,382 -1,383 -1.189,385 -2.768,386 -0.944,387 0.363,388 -0.471,389 2,390 -0.021,391 -1,392 -1.343,394 -2.934,395 -1,396 0.155,397 -0.872,398 1.765,399 -0.184,400 -1.114,401 -1.497,403 -3,404 -1.039,406 -0.987,407 1.72,408 -0.271,409 -1.264,410 -1.5,412 -3.078,413 -1.252,414 9.1,415 0.455,416 0.686,417 0.034,418 28.25,419 1.413,420 14,421 0.7,422 14.25,423 0.713,424 12.448,425 0.622,426 21.5,427 0.672,428 20.793,429 1.04,430 5.819,431 0.291,432 3.667,433 0.183,434 0.22,436 0.473,437 0.841,438 1.559,439 0.686,440 1.101,441 0.677,442 0.889,443 0.574,444 0.842,445 0.599,446 0.705,447 0.544,448 0.652,449 0.941,450 1.426,451 0.85,452 1.306,453 0.907,454 1.107,455 1.394,456 0.909,457 1.299,458 0.835,459 1.451,460 0.993,461 0.833,462 1.003,463 1.091,464 1.053,465 0.739,466 1.108,467 0.827,468 0.839,469 0.904,470 0.88,471 0.836,472 0.907,473 1.237,474 1.05,475 1.158,476 1.17,477 1.155,478 1.141,479 1.021,480 0.995,481 1.196,482 1.288,483 1.249,484 1.316,485 4.5,487 3.333,488 1.722,489 1.664,490 0.803,491 0.421,492 0.303,493 0.174,494 0.096,495 3407,496 11688,497 2.018,498 37.5,500 10,503 2,507 1.62,508 1.818,509 2.967,510 0.459,512 1,514 1,515 56.12,516 1.754,517 3.828,518 4.078,519 4.265,520 4.453,521 4.453,522 2.466,523 3.322,524 4.293,525 3.07,526 583.343,527 7.346,528 5722.84,529 1,530 1,533 160,534 1.539,535 4.214,536 0.205,538 0.101,539 0.049,540 0.059,541 0.04,542 0.023,543 0.019,544 0.017,545 0.016,546 0.53,547 0.67,548 1,549 0.716,550 86.718,551 -0.147,552 -0.366,553 0.018,554 -0.095,555 -0.116,556 -0.013,557 0.177,558 0.318,559 0.222,560 0.245,561 0.048,562 0.243,563 -0.038,564 -0.342,565 -0.026,566 -0.329,567 -0.014,568 -0.213,569 -0.179,570 0.092,571 -0.316,572 0.05,573 -0.14,574 -0.128,575 -0.074,576 -0.028,577 -0.118,578 -0.09,579 -0.029,580 -0.1,581 0.043,582 0.085,583 0.109,584 0.112,585 0.033,586 0.127,587 -0.243,588 -0.079,589 -0.225,590 -0.181,591 -0.121,592 -0.182,593 -0.033,594 -0.165,595 -0.149,596 -0.262,597 -0.135,598 -0.251,599 2.107,600 5.027,601 0.75,602 13.08,603 1.029,604 1.134,605 1.324,606 1.753,607 0.67,608 3.135,609 3.526,610 3.85,611 4.094,612 4.344,613 4.477,614 4.511,615 4.615,616 4.654,617 4.522,618 4.688,619 0.667,620 272.29,621 3.135,622 4.71,623 5.595,624 6.5,625 7.404,626 8.316,627 9.227,628 10.142,629 11.058,630 11.976,631 12.5,634 2,635 1,637 4,638 1,639 1,640 5,642 11,646 1,648 32,649 13,650 1,651 22,652 34,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,679 1,680 1,681 12,682 6,683 2,684 7,686 1,687 4,688 1,689 0.667,690 3,698 1,699 2,711 2,713 2,715 20,718 1,723 2,729 9.4,731 1,732 2,735 11,736 6.467,737 4.278,738 1.701,739 2.202,740 1.324,741 0.966,742 2.85,743 9.001,744 3.418,745 4.039,746 4.646,747 5.193,748 5.67,749 6.041,750 6.357,751 6.719,752 7.061,753 7.17,754 1,755 35,756 7.385,758 3.259,759 8.158,760 13.453,762 10.958,764 2.658,765 53.167,769 117.711,770 74.276,771 39.82,773 92.973,775 74.276,776 210.684,777 39.82,778 16.793,779 6.249,780 37.905,781 116.791,782 25.056,783 4.276,784 117.711,786 117.711,787 114.096,788 92.973,790 117.711,791 92.973,793 30.447,794 66.864,795 16.786,797 117.711,798 132.793,799 74.276,801 117.711,802 19.579,803 60.946,804 16.786,805 109.759,806 117.711,807 132.793,808 74.276,809 0.607,810 0.373,811 0.184,812 0.102,813 18,814 9,815 0.029,816 1,817 1,818 1.133,819 3.1,820 158.175,821 0.133,822 15,823 82.439,825 12.844,826 4.438,827 1.935,829 116.007,830 6.407,831 4.245,832 2.965,833 1.916,835 59.469,836 324.78,837 29.5,840 23.866,842 -0.854,843 32.924,844 36.282,845 0.351,846 0.766,847 0.816,848 0.853,849 0.891,850 0.891,851 4.689,852 0.872,853 5.631,854 2.544,855 4.205,856 4.723,857 2.197,858 6.515,859 4.119,860 5.927,861 0.551,862 7.252,863 2.275,864 4.007,865 4.649,866 1.404,867 7.542,868 3.871,869 7.26,870 0.177,871 8.969,872 1.382,873 5.883,874 6.916,875 2.804,876 10.679,877 5.707,878 8.628,879 -0.21,880 10.739,881 0.391,882 6.463,883 7.625,884 2.647,885 12.48,886 6.233,887 10.025,888 -1,889 12.541,890 -0.466,891 7.865,892 9.394,893 3.665,894 15.173,895 7.594,896 11.442,897 -1,898 14.366,899 -2.768,900 8.775,901 10.457,902 3.851,903 17.309,904 8.449,905 12.876,906 -1.114,907 16.206,908 -2.934,909 10.019,910 12.033,911 4.661,912 19.849,913 9.649,914 3.32,915 -1.264,916 18.06,917 -3,918 11.078,919 13.272,920 5.029,921 22.144,922 10.652,923 2.833,924 11.56,925 19.924,926 -3.078,927 12.272,928 14.765,929 5.726,930 24.625,931 11.798,932 2.427,933 9.148,934 21.797,935 4.237,936 13.4,937 16.096,938 6.188,939 26.997,940 12.871,941 2.324,942 7.686,943 23.677,944 3.684,945 14.582,946 17.553,947 6.825,948 29.456,949 14.003,950 2.155,951 7.555,952 25.564,953 3.185,954 15.742,955 18.933,956 7.336,957 31.865,958 15.108,959 1.314,960 6.033,961 27.457,962 2.812,963 16.925,964 20.375,965 7.94,966 34.315,967 16.238,968 1,969 3.792,970 29.354,971 2.693,972 18.101,973 21.781,974 8.477,975 36.743,976 17.361,977 3402,978 6391,979 14.046,980 21.432,981 34.886,982 36.471,983 36.449,984 34.088,985 33.945,986 44.206,987 6.869,988 104.734,989 32.522,990 5.551,991 5.968,992 6.354,993 5.345,994 5.32,995 7.237,996 3.071,997 19.56,998 5.154,999 11.798,1000 1.586,1001 1.658,1002 1.657,1003 1.549,1004 1.543,1005 2.009,1006 0.312,1007 4.761,1008 1.478,1009 4.058,1010 4.102,1011 4.033,1012 3.912,1013 7.444,1014 3.932,1015 3.827,1016 3.856,1017 3.777,1018 3.681,1019 7.411,1020 3.707,1021 3.481,1022 3.545,1023 3.422,1024 3.212,1025 6.471,1026 3.254,1027 3.271,1028 3.358,1029 3.146,1030 2.999,1031 4.944,1032 3.013,1033 2.963,1034 2.996,1035 2.864,1036 2.767,1037 4.518,1038 2.782,1039 2.854,1040 2.925,1041 2.687,1042 2.735,1043 4.061,1044 2.715,1045 2.803,1046 2.849,1047 2.644,1048 2.503,1049 3.918,1050 2.526,1051 2.789,1052 2.822,1053 2.571,1054 2.457,1055 3.674,1056 2.491,1057 0.209,1058 0.18,1059 0.315,1060 0.194,1061 0.151,1062 4.605,1063 0.193,1064 3.968,1065 0.08,1066 6.94,1067 0.525,1068 4.271,1069 0.143,1070 3.32,1071 4.237,1072 1.761,1073 11.56,1074 3.154,1075 1.896,1076 1.873,1077 1.994,1078 2,1079 1.079,1080 1.996,1081 1.714,1082 1.672,1083 1.82,1084 1.963,1085 0.902,1086 1.922,1087 1.328,1088 1.261,1089 1.608,1090 1.617,1091 0.663,1092 1.603,1093 1.184,1094 1.1,1095 1.402,1096 1.46,1097 0.467,1098 1.46,1099 1.123,1100 1.055,1101 1.33,1102 1.374,1103 0.344,1104 1.37,1105 0.886,1106 0.821,1107 1.181,1108 1.062,1109 0.218,1110 1.107,1111 0.692,1112 0.642,1113 0.929,1114 1.041,1116 1.001,1117 0.665,1118 0.63,1119 0.791,1120 1.023,1122 0.964,1123 3.807,1125 5.176,1126 2.398,1127 6.744,1128 4.727,1129 8.402,1130 6.88,1131 10.11,1132 2.988,1135 9.275,1140 2.359,1144 21.337,1145 56.12,1146 122.49,1147 130.49,1148 136.49,1149 142.49,1150 142.49,1151 37.425,1152 6.799,1153 92.91,1154 92.91,1155 17,1156 12.486,1157 3.807,1158 3.087,1159 29.9,1160 58,1161 60,1162 0.276,1163 131.965,1164 226.47,1165 313.754,1166 6632,1168 14.439,1169 0.722,1170 0.546,1171 14.439,1172 10.915,1173 9.486,1174 0.431,1175 0.27,1176 5.805,1177 8.977,1178 5.636,1179 4.692,1180 9.486,1181 5.939,1182 9.016,1183 0.273,1184 0.137,1185 9.016,1186 4.535,1187 8.266,1188 0.18,1189 0.07,1190 8.266,1191 3.242,1192 6.234,1193 0.106,1194 0.035,1195 6.234,1196 2.078,1197 4.978,1198 0.065,1199 0.018,1200 4.978,1201 1.333,1202 0.415,1203 60.709,1204 0.267,1205 19.428,1206 0.812,1207 110,1208 382.889,1209 125.746,1210 365.557,1211 493.53,1212 338,1213 134,1214 365.711,1215 151.275,1216 368.451,1217 544.3,1218 344,1219 6.886} {0 CHEMBL27155,1 1.626,2 9.125,3 2.819,4 7.949,5 87.979,6 7.464,7 0.423,8 3.889,9 4.013,10 3.446,11 3.363,12 5.028,13 3.362,14 4.426,15 4.613,16 3.832,17 3.748,18 5.544,19 3.724,20 4.674,21 4.889,22 3.956,23 3.851,24 5.83,25 3.834,26 4.726,27 4.932,28 3.96,29 3.844,30 6.043,31 3.839,32 4.664,33 4.86,34 3.829,35 3.837,36 5.883,37 3.804,38 4.663,39 4.87,40 3.699,41 3.802,42 5.851,43 3.743,44 4.602,45 4.828,46 3.538,47 3.737,48 5.706,49 3.643,50 4.546,51 4.802,52 3.256,53 3.613,54 5.561,55 3.462,56 0.072,57 0.671,58 9.069,59 3.65,60 10.641,61 4.97,62 0.344,63 1.055,64 17.398,65 6.114,66 20.377,67 8.762,68 0.377,69 1.226,70 23.824,71 7.303,72 45.004,73 10.739,74 0.737,75 1.24,76 25.937,77 6.661,78 95.561,79 9.785,80 0.479,81 1.193,82 23.507,83 6.822,84 66.527,85 9.71,86 0.596,87 1.147,88 24.137,89 6.882,90 77.457,91 9.754,92 0.373,93 1.055,94 22.615,95 7.274,96 50.96,97 10.377,98 0.404,99 0.909,100 22.509,101 7.655,102 57.429,103 10.916,104 34,105 37,106 0.283,107 0.637,108 0.755,109 0.779,110 0.802,111 0.826,112 3.23,113 0.934,114 -3.57,115 -3.54,116 -3.38,117 38.6,118 2,119 2,123 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,150 6,152 4,153 3,155 2,157 3,158 4,161 3,162 4,166 4,167 2,170 2,171 8,174 3,176 4,182 1,183 11,188 1,193 10,196 1,197 1,198 1,201 2,203 7,208 1,210 6,212 2,215 1,219 8,225 2,229 6,231 706,232 16.223,233 16.223,234 16.223,235 16.223,236 16.223,237 14.768,238 16.745,239 9.569,240 16.534,241 12.725,242 12.725,243 12.725,244 12.725,245 12.725,246 10.34,247 19.235,248 4.348,249 13.254,250 3.834,251 1.802,252 1.125,253 0.989,254 0.852,255 0.716,256 3.905,260 1,261 1,262 458,263 2.915,265 49.01,266 135.744,269 93.681,270 1.313,271 33.292,272 1,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 53,282 219,283 4.618,284 3.987,285 7.001,286 4.295,287 3.345,288 4.24,289 1.761,290 11.881,291 3.174,292 4.175,293 3.393,294 6.231,295 3.814,296 2.848,297 3.689,298 1.083,299 9.298,300 2.753,301 3.819,302 3.017,303 5.976,304 3.411,305 2.459,306 3.205,307 0.526,308 8.202,309 2.345,310 3.628,311 2.725,312 5.876,313 3.369,314 2.406,315 2.829,316 0.064,317 7.867,318 2.294,319 3.496,320 2.447,321 5.035,322 3.132,323 2.172,324 2.734,326 6.041,327 2.072,328 2.788,329 1.932,330 4.343,331 2.399,332 1.423,333 1.873,335 3.903,336 1.381,337 2.5,338 1.859,339 4.151,340 2.279,341 1.277,342 1.5,343 3.039,344 1.273,345 2.477,346 1.273,347 3.877,348 2.152,349 1.192,350 1.438,351 2.498,352 1.139,353 2.401,354 1.145,355 3.464,356 2,357 1,358 1.352,359 2.275,360 1,361 2.246,362 1,363 3.414,364 1.751,365 0.797,366 1.094,367 1.966,368 0.752,369 1.641,370 0.949,371 2.922,372 1.413,373 0.418,374 0.488,376 0.792,377 0.412,378 1.512,379 0.651,380 2.729,381 1.148,382 0.129,383 0.158,385 0.232,386 0.129,387 1.115,388 0.098,389 2.536,390 0.728,391 -0.209,392 -0.261,394 -0.46,395 -0.193,396 0.5,397 -0.303,398 2,399 0.256,400 -0.722,401 -0.786,403 -1.299,404 -0.698,405 0.456,406 -0.354,407 2,408 0.203,409 -0.811,410 -0.894,412 -1.419,413 -0.81,414 11.1,415 0.463,416 0.61,417 0.025,418 30.25,419 1.26,420 14,421 0.583,422 16.25,423 0.677,424 19.83,425 0.826,426 26.7,427 0.607,428 22.891,429 0.954,430 5.735,431 0.239,432 5.827,433 0.243,434 0.18,436 0.387,437 0.801,438 1.555,439 0.79,440 1.187,441 0.652,442 1.012,443 0.51,444 1.113,445 0.731,446 1.002,447 0.503,448 0.922,449 0.876,450 1.186,451 0.734,452 0.99,453 0.809,454 0.851,455 1.291,456 0.962,457 0.999,458 0.794,459 1.296,460 0.815,461 1.359,462 1.143,463 1.175,464 1.039,465 1.349,466 1.052,467 1.424,468 0.961,469 1.305,470 0.963,471 1.429,472 1.079,473 1.092,474 1.033,475 1.191,476 1.145,477 0.998,478 1.171,479 0.892,480 0.894,481 1.082,482 1.092,483 1.051,484 1.134,485 4.5,486 0.066,487 3.333,488 2.097,489 2.064,490 1.174,491 0.694,492 0.375,493 0.186,494 0.152,495 5411,496 15232,497 2.015,498 45.5,499 6,500 8,503 2,505 4,507 1.676,508 1.846,509 3.141,510 0.337,511 1,512 1,514 1,515 71.535,516 1.626,517 3.657,518 4.334,519 4.471,520 4.607,521 4.743,522 2.642,523 3.835,524 4.55,525 3.261,526 900.056,527 7.893,528 10173.5,530 1,532 1,533 240.215,534 1.528,535 4.493,536 0.173,537 0.009,538 0.09,539 0.051,540 0.052,541 0.034,542 0.023,543 0.015,544 0.01,545 0.012,546 0.469,547 0.33,548 1,549 1.26,550 111.668,551 -0.085,552 -0.295,553 0.035,554 -0.078,555 -0.068,556 -0.014,557 0.242,558 0.05,559 0.164,560 0.017,561 0.081,562 0.055,563 0.056,564 -0.138,565 0.226,566 -0.018,567 0.043,568 0.113,569 -0.014,570 0.099,571 0.011,572 0.11,573 0.01,574 0.077,575 -0.232,576 -0.064,577 -0.211,578 -0.084,579 -0.141,580 -0.128,581 -0.252,582 0.088,583 -0.325,584 -0.02,585 -0.181,586 -0.158,587 -0.177,588 -0.032,589 -0.236,590 -0.157,591 -0.068,592 -0.191,593 -0.031,594 -0.015,595 -0.105,596 -0.079,597 -0.073,598 -0.105,599 2.037,600 5.622,601 0.625,602 19.799,603 1.01,604 1.135,605 2.336,606 5.458,607 0.647,608 3.296,609 3.638,610 3.97,611 4.277,612 4.543,613 4.7,614 4.804,615 4.927,616 4.97,617 4.913,618 5.308,619 0.624,620 328.41,621 3.296,622 4.844,623 5.72,624 6.624,625 7.529,626 8.444,627 9.36,628 10.281,629 11.202,630 12.126,631 9.1,634 2,635 1,637 4,638 1,639 1,640 5,642 11,646 1,648 44,649 13,650 1,651 26,652 46,653 17,654 9,655 2,656 4,657 1,659 3,660 4,662 1,663 2,668 2,670 11,671 6,673 2,676 2,678 2,679 1,680 1,681 20,682 6,683 2,684 7,686 1,687 4,688 1,689 0.667,690 3,698 1,699 2,711 2,713 2,715 24,718 1,719 4,723 2,729 6.8,731 1,732 2,735 13,736 8.467,737 5.444,738 3.001,739 2.13,740 1.298,741 0.949,742 4.693,743 9.281,744 3.541,745 4.107,746 4.702,747 5.278,748 5.752,749 6.131,750 6.474,751 6.849,752 7.198,753 7.352,754 1,755 41,756 8.937,758 3.863,759 7.965,760 16.719,762 13.601,764 2.465,765 59.167,768 1,769 211.88,770 84.415,771 39.82,773 92.973,775 84.415,776 304.853,777 39.82,778 17.65,779 15.529,780 37.905,781 116.791,782 25.056,783 4.276,784 211.88,786 211.88,787 124.234,788 92.973,790 164.795,791 140.058,793 57.378,794 50.071,795 16.786,797 211.88,798 132.793,799 84.415,801 211.88,802 28.859,803 61.804,804 16.786,805 109.759,806 211.88,807 132.793,808 84.415,809 0.574,810 0.353,811 0.204,812 0.122,813 18,814 9,815 0.109,816 5,817 1,818 1.133,819 3.431,820 201.596,821 0.133,822 15,823 106.039,825 16.681,826 6.753,827 2.982,829 116.007,830 6.522,831 4.409,832 3.093,833 2.103,835 59.469,836 429.087,837 33.5,840 25.241,842 -0.678,843 44.458,844 49.943,845 0.298,846 0.67,847 0.794,848 0.819,849 0.844,850 0.869,851 4.794,852 1.192,853 5.727,854 3.039,855 4.317,856 4.792,857 2.197,858 6.605,859 4.236,860 5.999,861 1,862 7.331,863 2.498,864 4.007,865 4.649,866 1.404,867 7.639,868 3.871,869 7.318,870 0.797,871 9.039,872 2.275,873 5.969,874 6.947,875 2.804,876 10.794,877 5.79,878 8.674,879 0.418,880 10.806,881 1.966,882 6.494,883 7.635,884 2.647,885 12.639,886 6.258,887 10.065,888 0.129,889 12.609,890 0.792,891 7.939,892 9.413,893 3.665,894 15.334,895 7.66,896 11.479,897 -0.209,898 14.438,899 0.232,900 8.83,901 10.471,902 3.851,903 17.516,904 8.494,905 12.912,906 -0.722,907 16.285,908 -0.46,909 10.094,910 12.047,911 4.661,912 20.062,913 9.712,914 3.345,915 -0.811,916 18.146,917 -1.299,918 11.149,919 13.287,920 5.029,921 22.398,922 10.711,923 2.848,924 11.881,925 20.018,926 -1.419,927 12.354,928 14.779,929 5.726,930 24.892,931 11.866,932 2.459,933 9.298,934 21.899,935 4.24,936 13.485,937 16.111,938 6.188,939 27.3,940 12.94,941 2.406,942 8.202,943 23.787,944 3.689,945 14.675,946 17.567,947 6.825,948 29.778,949 14.078,950 2.172,951 7.867,952 25.683,953 3.205,954 15.84,955 18.948,956 7.336,957 32.22,958 15.188,959 1.423,960 6.041,961 27.583,962 2.829,963 17.03,964 20.39,965 7.94,966 34.693,967 16.325,968 1.277,969 3.903,970 29.489,971 2.734,972 18.213,973 21.797,974 8.477,975 37.152,976 17.452,977 5452,978 9283,979 16.819,980 28.478,981 39.676,982 41.316,983 41.965,984 39.064,985 38.929,986 49.202,987 6.869,988 115.988,989 37.451,990 5.567,991 5.987,992 6.761,993 5.37,994 5.345,995 7.24,996 3.071,997 19.881,998 5.174,999 13.686,1000 1.526,1001 1.589,1002 1.614,1003 1.502,1004 1.497,1005 1.892,1006 0.264,1007 4.461,1008 1.44,1009 4.066,1010 4.111,1011 4.04,1012 3.917,1013 7.444,1014 3.938,1015 3.839,1016 3.87,1017 3.786,1018 3.702,1019 7.411,1020 3.723,1021 3.614,1022 3.688,1023 3.496,1024 3.44,1025 6.471,1026 3.433,1027 3.574,1028 3.648,1029 3.405,1030 3.408,1031 4.942,1032 3.397,1033 3.308,1034 3.365,1035 3.178,1036 3.051,1037 4.515,1038 3.085,1039 3.064,1040 3.119,1041 2.99,1042 2.773,1043 4.165,1044 2.814,1045 2.906,1046 2.937,1047 2.805,1048 2.735,1049 4.112,1050 2.721,1051 2.854,1052 2.925,1053 2.687,1054 2.709,1055 3.713,1056 2.715,1057 0.178,1058 0.153,1059 0.269,1060 0.165,1061 0.129,1062 4.618,1063 0.163,1064 3.987,1065 0.068,1066 7.001,1067 0.457,1068 4.295,1069 0.122,1070 3.345,1071 4.24,1072 1.761,1073 11.881,1074 3.174,1075 1.896,1076 1.873,1077 1.995,1078 2.014,1079 1.203,1080 2,1081 1.773,1082 1.724,1083 1.953,1084 1.985,1085 1.156,1086 1.973,1087 1.611,1088 1.535,1089 1.904,1090 1.813,1091 1.078,1092 1.847,1093 1.467,1094 1.407,1095 1.644,1096 1.678,1097 0.756,1098 1.69,1099 1.285,1100 1.23,1101 1.41,1102 1.557,1103 0.519,1104 1.516,1105 0.997,1106 0.939,1107 1.321,1108 1.269,1109 0.427,1110 1.281,1111 0.948,1112 0.862,1113 1.262,1114 1.25,1115 0.343,1116 1.252,1117 0.886,1118 0.821,1119 1.181,1120 1.062,1121 0.218,1122 1.107,1123 3.97,1125 5.303,1126 2.398,1127 6.847,1128 4.727,1129 8.496,1130 6.88,1131 10.205,1132 3.9,1135 9.404,1136 2.351,1140 2.822,1144 27.444,1145 71.535,1146 160.912,1147 190.705,1148 196.705,1149 202.705,1150 208.705,1151 52.855,1152 7.151,1153 92.91,1154 92.91,1155 17,1156 12.632,1157 3.807,1158 3.087,1159 38.989,1160 78,1161 84,1162 0.264,1163 170.334,1164 295.67,1165 407.375,1166 10194,1168 17.267,1169 0.719,1170 0.573,1171 17.267,1172 13.743,1173 11.562,1174 0.445,1175 0.311,1176 7.966,1177 11.067,1178 7.776,1179 6.517,1180 11.562,1181 8.092,1182 10.202,1183 0.276,1184 0.155,1185 10.202,1186 5.721,1187 8.922,1188 0.172,1189 0.075,1190 8.922,1191 3.899,1192 7.557,1193 0.106,1194 0.039,1195 7.557,1196 2.772,1197 6.259,1198 0.067,1199 0.02,1200 6.259,1201 1.904,1202 0.398,1203 72.996,1204 0.244,1205 22.879,1206 0.777,1207 126,1208 398.889,1209 142.412,1210 381.239,1211 519.45,1212 354,1213 152,1214 388.416,1215 169.941,1216 388.134,1217 579.14,1218 366,1219 7.301} {0 CHEMBL273671,1 1.724,2 9.16,3 3.005,4 9.028,5 95.79,6 8.042,7 0.407,8 3.911,9 4.043,10 3.531,11 3.408,12 5.043,13 3.399,14 4.452,15 4.639,16 3.944,17 3.807,18 5.56,19 3.773,20 4.697,21 4.908,22 4.082,23 3.928,24 5.85,25 3.899,26 4.767,27 4.969,28 4.121,29 3.923,30 6.125,31 3.913,32 4.741,33 4.938,34 3.931,35 3.915,36 5.972,37 3.874,38 4.724,39 4.94,40 3.846,41 3.869,42 5.867,43 3.801,44 4.628,45 4.849,46 3.756,47 3.815,48 5.789,49 3.721,50 4.614,51 4.86,52 3.521,53 3.703,54 5.726,55 3.566,56 0.079,57 0.695,58 8.579,59 3.596,60 10.647,61 4.892,62 0.359,63 1.075,64 17.688,65 6.367,66 20.734,67 8.96,68 0.397,69 1.253,70 26.197,71 7.847,72 42.815,73 11.101,74 0.797,75 1.295,76 27.728,77 7.286,78 99.869,79 10.198,80 0.59,81 1.265,82 26.605,83 7.257,84 75.778,85 9.905,86 0.632,87 1.192,88 26.561,89 7.573,90 76.76,91 10.464,92 0.427,93 1.085,94 24.169,95 7.743,96 55.612,97 10.71,98 0.513,99 0.967,100 25.186,101 7.913,102 75.352,103 11.024,104 45,105 39,106 0.299,107 0.653,108 0.782,109 0.808,110 0.831,111 0.854,112 3.268,113 0.96,114 -3.8,115 -3.77,116 -3.58,117 37.8,118 2,119 2,123 2,130 3,131 1,132 2,133 1,139 1,140 1,141 1,143 1,144 1,145 1,146 1,150 4,152 4,153 3,155 2,157 3,158 5,160 2,161 3,162 3,166 2,167 2,169 1,170 2,171 8,173 1,174 4,175 1,176 5,178 1,179 1,181 2,182 1,183 10,188 1,193 9,195 1,196 1,198 2,201 2,203 6,205 2,206 2,208 1,210 5,212 3,214 1,215 1,217 1,219 6,220 1,222 2,227 2,229 5,230 2,231 767,232 16.723,233 16.723,234 16.723,235 16.723,236 16.723,237 15.215,238 19.352,239 9.775,240 17.146,241 13.209,242 13.209,243 13.209,244 13.209,245 13.209,246 10.735,247 22.479,248 4.429,249 13.957,250 3.767,251 1.724,252 0.984,253 0.834,254 0.7,255 0.567,256 3.942,258 1,260 1,261 1,262 477,263 3,265 50.686,266 142.259,269 97.291,270 1.299,271 34.486,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 54.833,282 229,283 4.629,284 3.987,285 7.004,286 4.3,287 3.35,288 4.275,289 1.761,290 11.893,291 3.18,292 4.312,293 3.393,294 6.466,295 3.95,296 2.981,297 3.876,298 1.083,299 10.004,300 2.885,301 3.864,302 3.14,303 6.022,304 3.459,305 2.522,306 3.222,307 0.526,308 8.384,309 2.365,310 3.628,311 2.91,312 5.946,313 3.37,314 2.41,315 2.84,316 0.064,317 8.042,318 2.295,319 3.508,320 2.639,321 5.207,322 3.082,323 2.175,324 2.752,326 6.348,327 1.917,328 3.049,329 2.044,330 4.721,331 2.639,332 1.703,333 2.219,335 4.814,336 1.553,337 2.685,338 1.93,339 4.189,340 2.327,341 1.34,342 1.746,343 3.305,344 1.317,345 2.477,346 1.65,347 4.016,348 2.279,349 1.277,350 1.439,351 2.972,352 1.273,353 2.405,354 1.212,355 3.837,356 2.107,357 1.144,358 1.355,359 2.495,360 1.085,361 2.248,362 1.142,363 3.464,364 1.753,365 0.798,366 1.098,367 1.971,368 0.753,369 1.645,370 0.95,371 2.928,372 1.421,373 0.43,374 0.499,376 0.814,377 0.42,378 1.513,379 0.658,380 2.729,381 1.148,382 0.129,383 0.158,385 0.232,386 0.129,387 1.252,388 0.341,389 2.702,390 0.845,391 -0.07,392 -0.089,394 -0.169,395 -0.057,396 0.796,397 -0.14,398 2.359,399 0.361,400 -0.515,401 -0.621,403 -1.242,404 -0.387,405 0.456,406 -0.303,407 2,408 0.255,409 -0.722,410 -0.787,412 -1.301,413 -0.697,414 11.881,415 0.475,416 0.699,417 0.028,418 31,419 1.24,420 14,421 0.56,422 17,423 0.68,424 22.224,425 0.889,426 27.719,427 0.616,428 23.903,429 0.956,430 5.805,431 0.232,432 6.168,433 0.247,434 0.234,436 0.404,437 0.758,438 1.533,439 0.646,440 1.054,441 0.624,442 0.947,443 0.509,444 1.114,445 0.607,446 0.885,447 0.498,448 0.853,449 0.886,450 1.219,451 0.778,452 0.976,453 0.813,454 0.846,455 1.21,456 0.993,457 0.839,458 0.83,459 1.286,460 0.837,461 1.556,462 1.113,463 1.104,464 0.996,465 1.536,466 1.055,467 1.378,468 0.958,469 0.938,470 0.931,471 1.482,472 1.032,473 1.015,474 1.053,475 0.971,476 1.088,477 0.94,478 1.125,479 1.062,480 0.918,481 0.899,482 1.017,483 1.259,484 1.111,485 5,486 0.066,487 3.556,488 2.66,489 2.175,490 1.254,491 0.776,492 0.51,493 0.236,494 0.172,495 5900,496 18071,497 1.992,498 44.4,499 6,500 7,503 3,505 4,507 1.687,508 1.807,509 3.143,510 1.045,511 1,512 1,515 77.598,516 1.724,517 3.768,518 4.508,519 4.658,520 4.792,521 4.925,522 2.623,523 4.324,524 4.611,525 3.268,526 980.475,527 8.017,528 11391.8,530 1,532 1,533 247.133,534 1.554,535 4.541,536 0.185,537 0.008,538 0.091,539 0.06,540 0.049,541 0.034,542 0.024,543 0.018,544 0.011,545 0.011,546 0.493,547 0.33,548 1,549 1.263,550 117.774,551 -0.092,552 -0.245,553 0.015,554 -0.051,555 -0.075,556 0.001,557 0.249,558 0.044,559 0.155,560 0.084,561 0.092,562 0.103,563 0.046,564 -0.163,565 0.128,566 -0.015,567 0.04,568 0.111,569 0.078,570 0.078,571 0.022,572 0.056,573 0.089,574 0.042,575 -0.333,576 -0.033,577 -0.261,578 -0.092,579 -0.214,580 -0.167,581 -0.223,582 0.062,583 -0.137,584 -0.015,585 -0.201,586 -0.112,587 -0.083,588 -0.039,589 -0.11,590 -0.122,591 0.024,592 -0.158,593 -0.068,594 -0.012,595 -0.06,596 -0.051,597 -0.07,598 -0.119,599 2.052,600 5.694,601 0.6,602 20.627,603 1.012,604 1.137,605 2.574,606 6.624,607 0.664,608 3.332,609 3.689,610 4.025,611 4.344,612 4.585,613 4.762,614 4.875,615 5.004,616 5.056,617 5.024,618 5.369,619 0.635,620 361.87,621 3.332,622 4.89,623 5.771,624 6.683,625 7.59,626 8.512,627 9.429,628 10.355,629 11.277,630 12.206,631 11.1,632 1,634 2,635 1,637 3,638 1,639 1,640 6,642 11,644 1,647 1,648 45,649 13,650 1,651 27,652 47,653 17,654 9,655 3,656 3,657 1,659 3,660 4,661 1,662 1,663 2,668 2,670 11,671 6,673 2,676 2,678 2,679 1,680 1,681 20,682 6,683 3,684 8,685 1,686 1,687 5,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,714 1,715 25,716 1,719 4,723 2,728 1,729 4.4,732 2,735 13.833,736 8.66,737 5.639,738 3.022,739 2.185,740 1.301,741 0.98,742 5.133,743 9.437,744 3.57,745 4.155,746 4.755,747 5.344,748 5.805,749 6.209,750 6.548,751 6.919,752 7.262,753 7.44,754 1,755 44,756 9.295,758 4.019,759 7.938,760 17.371,762 14.154,764 2.438,765 60.944,768 1,769 200.109,770 81.196,771 72.717,772 39.149,773 50.29,775 81.196,776 289.547,777 72.717,778 17.65,779 15.529,780 61.326,781 74.108,782 31.313,783 4.276,784 200.109,785 39.149,786 200.109,787 153.912,788 50.29,789 39.149,790 153.024,791 97.374,793 57.378,794 79.749,795 55.934,797 200.109,798 123.007,799 120.344,801 200.109,802 35.116,803 52.328,804 16.786,805 139.121,806 200.109,807 123.007,808 120.344,809 0.579,810 0.358,811 0.209,812 0.119,813 19,814 10,815 0.106,816 5,817 1,818 1.133,819 3.46,820 215.333,821 0.133,822 15,823 116.096,825 17.924,826 7.159,827 3.172,829 106.221,830 5.065,831 4.428,832 3.092,833 2.715,835 49.683,836 443.46,837 34.5,840 25.371,842 -0.704,843 45.556,844 51.176,845 0.314,846 0.686,847 0.821,848 0.848,849 0.872,850 0.897,851 4.834,852 1.277,853 5.79,854 3.305,855 4.369,856 4.84,857 2.197,858 6.683,859 4.264,860 6.052,861 1.144,862 7.405,863 2.972,864 4.111,865 4.771,866 1.404,867 7.738,868 3.931,869 7.381,870 0.798,871 9.123,872 2.495,873 6.038,874 7.022,875 2.804,876 10.897,877 5.832,878 8.747,879 0.43,880 10.898,881 1.971,882 6.594,883 7.765,884 2.647,885 12.748,886 6.331,887 10.146,888 0.129,889 12.708,890 0.814,891 8.025,892 9.518,893 3.665,894 15.445,895 7.727,896 11.569,897 -0.07,898 14.542,899 0.232,900 8.934,901 10.619,902 3.851,903 17.627,904 8.587,905 13.009,906 -0.515,907 16.393,908 -0.169,909 10.192,910 12.185,911 4.661,912 20.169,913 9.804,914 3.35,915 -0.722,916 18.257,917 -1.242,918 11.258,919 13.455,920 5.029,921 22.5,922 10.82,923 2.981,924 11.893,925 20.132,926 -1.301,927 12.459,928 14.944,929 5.726,930 24.989,931 11.977,932 2.522,933 10.004,934 22.015,935 4.275,936 13.593,937 16.297,938 6.188,939 27.39,940 13.06,941 2.41,942 8.384,943 23.905,944 3.876,945 14.78,946 17.754,947 6.825,948 29.861,949 14.199,950 2.175,951 8.042,952 25.8,953 3.222,954 15.945,955 19.148,956 7.336,957 32.296,958 15.312,959 1.703,960 6.348,961 27.701,962 2.84,963 17.132,964 20.593,965 7.94,966 34.763,967 16.449,968 1.34,969 4.814,970 29.606,971 2.752,972 18.312,973 22.009,974 8.477,975 37.216,976 17.577,977 5971,978 10595,979 17.224,980 29.887,981 41.256,982 43.17,983 44.042,984 40.825,985 40.516,986 50.956,987 6.869,988 122.547,989 38.343,990 5.579,991 5.987,992 6.764,993 5.376,994 5.35,995 7.275,996 3.071,997 19.893,998 5.18,999 15.329,1000 1.528,1001 1.599,1002 1.631,1003 1.512,1004 1.501,1005 1.887,1006 0.254,1007 4.539,1008 1.42,1009 4.071,1010 4.115,1011 4.078,1012 3.931,1013 7.444,1014 3.948,1015 3.85,1016 3.882,1017 3.918,1018 3.716,1019 7.411,1020 3.736,1021 3.614,1022 3.689,1023 3.554,1024 3.441,1025 5.149,1026 3.434,1027 3.574,1028 3.649,1029 3.41,1030 3.41,1031 4.873,1032 3.398,1033 3.306,1034 3.363,1035 3.298,1036 3.063,1037 4.786,1038 3.09,1039 3.064,1040 3.154,1041 3.136,1042 2.828,1043 4.185,1044 2.838,1045 3.051,1046 3.119,1047 2.983,1048 2.774,1049 4.118,1050 2.809,1051 2.863,1052 2.909,1053 2.838,1054 2.741,1055 4.086,1056 2.73,1057 0.171,1058 0.148,1059 0.259,1060 0.159,1061 0.124,1062 4.629,1063 0.158,1064 3.987,1065 0.065,1066 7.004,1067 0.44,1068 4.3,1069 0.118,1070 3.35,1071 4.275,1072 1.761,1073 11.893,1074 3.18,1075 1.903,1076 1.881,1077 1.973,1078 2.014,1079 1.203,1080 2,1081 1.773,1082 1.724,1083 1.952,1084 1.985,1085 1.156,1086 1.973,1087 1.611,1088 1.535,1089 1.904,1090 1.813,1091 1.087,1092 1.847,1093 1.467,1094 1.407,1095 1.644,1096 1.678,1097 0.756,1098 1.689,1099 1.284,1100 1.229,1101 1.402,1102 1.542,1103 0.519,1104 1.507,1105 0.999,1106 0.939,1107 1.314,1108 1.308,1109 0.429,1110 1.312,1111 0.99,1112 0.907,1113 1.277,1114 1.268,1115 0.35,1116 1.276,1117 0.946,1118 0.858,1119 1.26,1120 1.243,1121 0.189,1122 1.252,1123 4.007,1125 5.352,1126 2.398,1127 6.905,1128 4.727,1129 8.565,1130 6.88,1131 10.283,1132 3.895,1133 5.942,1134 6.021,1136 2.31,1140 2.808,1144 28.579,1145 77.598,1146 169.566,1147 202.869,1148 209.624,1149 215.624,1150 221.624,1151 57.333,1152 7.252,1153 98.7,1154 98.7,1155 17,1156 12.71,1157 3.807,1158 3.087,1159 41.45,1160 83,1161 83,1162 0.265,1163 181.465,1164 313.09,1165 434.535,1166 11547,1167 2.2,1168 18.137,1169 0.725,1170 0.597,1171 18.637,1172 14.93,1173 11.973,1174 0.443,1175 0.32,1176 8.172,1177 11.205,1178 7.936,1179 6.638,1180 12.261,1181 8.64,1182 10.742,1183 0.275,1184 0.163,1185 11.15,1186 6.342,1187 9.298,1188 0.169,1189 0.077,1190 9.561,1191 4.262,1192 8.154,1193 0.107,1194 0.04,1195 8.423,1196 3.074,1197 6.375,1198 0.066,1199 0.021,1200 6.558,1201 2.048,1202 0.399,1203 78.347,1204 0.241,1205 23.603,1206 0.783,1207 132,1208 410.255,1209 162.855,1210 425.448,1211 571.76,1212 394,1213 160,1214 406.093,1215 187.038,1216 417.205,1217 623.04,1218 393,1219 6} {0 CHEMBL273953,1 1.784,2 8.045,3 0.946,4 0.895,5 74.499,6 8.832,7 0.458,8 3.681,9 3.781,10 3.369,11 3.148,12 4.988,13 3.197,14 4.171,15 4.32,16 3.79,17 3.54,18 5.578,19 3.579,20 4.349,21 4.475,22 3.902,23 3.658,24 5.798,25 3.701,26 4.512,27 4.675,28 3.799,29 3.606,30 6.035,31 3.64,32 4.325,33 4.523,34 3.518,35 3.465,36 5.623,37 3.444,38 4.168,39 4.375,40 3.383,41 3.29,42 5.529,43 3.273,44 3.993,45 4.16,46 3.283,47 3.171,48 5.362,49 3.181,50 3.92,51 4.104,52 3.119,53 3.034,54 5.277,55 3.013,56 0.176,57 0.542,58 4.865,59 2.545,60 19.125,61 2.725,62 0.49,63 0.843,64 10.413,65 4.09,66 46.767,67 4.914,68 0.419,69 0.964,70 11.096,71 5.223,72 45.875,73 5.833,74 0.934,75 0.983,76 17.448,77 5.128,78 130.224,79 5.349,80 0.534,81 0.834,82 14.689,83 5.054,84 69.309,85 6.297,86 0.58,87 0.681,88 13.889,89 4.287,90 68.452,91 5.493,92 0.384,93 0.576,94 10.116,95 3.772,96 51.372,97 4.25,98 0.389,99 0.503,100 10.081,101 3.757,102 46.612,103 4.602,104 38,105 36,106 0.326,107 0.702,108 0.781,109 0.835,110 0.878,111 0.878,112 3.148,113 0.799,114 -2.8,115 -2.81,116 -2.73,117 41.2,122 2,130 4,131 2,133 1,139 1,140 2,141 1,143 1,148 1,149 1,150 6,151 1,152 4,153 2,155 3,157 2,158 6,159 2,161 3,162 4,166 4,167 3,168 2,170 2,171 5,174 3,176 4,180 1,182 1,183 6,184 1,188 2,189 1,192 1,193 7,196 2,197 1,203 7,204 1,211 1,212 4,213 2,215 1,221 2,222 1,223 1,225 2,231 562,232 14.276,233 14.276,234 14.276,235 14.276,236 14.276,237 12.728,238 13.704,239 7.953,240 14.55,241 11.739,242 11.739,243 11.739,244 11.739,245 11.739,246 9.11,247 16.188,248 3.712,249 12.146,250 3.304,251 1.243,252 0.809,253 0.515,254 0.28,255 0.28,256 3.817,261 1,262 372,263 2.739,265 41.825,266 121.777,269 81.82,270 1.231,271 37.289,274 1,275 1,276 0.4,278 1,279 1,280 0.77,281 50,282 177,283 4.607,284 3.968,285 6.94,286 4.272,287 3.321,288 4.244,289 1.761,290 11.562,291 3.156,292 4.25,293 3.579,294 6.239,295 3.889,296 2.904,297 3.805,298 1.437,299 9.324,300 2.861,301 3.946,302 3.384,303 5.946,304 3.586,305 2.614,306 3.291,307 1.083,308 8.17,309 2.528,310 3.626,311 2.99,312 5.845,313 3.294,314 2.324,315 2.895,316 0.526,317 7.555,318 2.256,319 3.545,320 2.608,321 5.749,322 3.224,323 2.257,324 2.723,325 0.064,326 7.436,327 2.156,328 3.029,329 2.013,330 4.394,331 2.547,332 1.564,333 2.194,335 4.078,336 1.525,337 2.574,338 1.662,339 4.029,340 2.065,341 1.087,342 1.575,343 2.747,344 1.057,345 2.527,346 1.629,347 3.748,348 2.005,349 1,350 1.474,351 2.544,352 0.994,353 2.331,354 1.24,355 3.589,356 1.809,357 0.872,358 1.204,359 2.322,360 0.809,361 1.936,362 1.014,363 3.435,364 1.531,365 0.53,366 0.694,367 1.342,368 0.523,369 1.69,370 0.805,371 2.912,372 1.198,373 0.177,374 0.237,376 0.391,377 0.177,378 0.825,379 0.435,380 2.52,381 0.379,382 -0.618,383 -0.832,385 -1.523,386 -0.611,387 0.661,388 -0.424,389 2,390 0.2,391 -0.808,392 -1.059,394 -2,395 -0.794,396 0.41,397 -0.468,398 2,399 -0.018,400 -1,401 -1.201,403 -2.344,404 -0.947,405 0.36,406 -0.576,407 1.765,408 -0.023,409 -1,410 -1.431,412 -2.768,413 -0.981,414 9.933,415 0.452,416 0.775,417 0.035,418 30.5,419 1.386,420 15,421 0.682,422 15.5,423 0.705,424 14.351,425 0.652,426 23.667,427 0.696,428 24.168,429 1.099,430 6.368,431 0.289,432 4.029,433 0.183,434 0.235,436 0.483,437 0.798,438 1.529,439 0.659,440 1.094,441 0.648,442 0.877,443 0.483,444 0.805,445 0.572,446 0.672,447 0.465,448 0.639,449 0.818,450 1.425,451 0.793,452 1.321,453 0.782,454 1.111,455 1.385,456 0.91,457 1.296,458 0.843,459 1.375,460 0.986,461 0.924,462 1.132,463 1.094,464 1.143,465 0.827,466 1.155,467 0.87,468 0.749,469 0.972,470 0.785,471 0.869,472 0.881,473 1.159,474 1.066,475 1.062,476 1.139,477 1.116,478 1.08,479 0.905,480 1.026,481 1.011,482 1.231,483 1.081,484 1.19,485 5,487 3.556,488 1.972,489 1.824,490 0.928,491 0.428,492 0.358,493 0.285,494 0.161,495 4345,496 16391,497 1.991,498 35.3,500 10,503 2,507 1.648,508 1.784,509 3.036,510 0.438,512 1,514 1,515 60.651,516 1.784,517 3.844,518 4.278,519 4.572,520 4.808,521 4.808,522 2.447,523 3.732,524 4.433,525 3.157,526 729.34,527 7.629,528 7766.21,529 1,530 1,533 172.974,534 1.539,535 4.344,536 0.208,538 0.099,539 0.051,540 0.055,541 0.037,542 0.019,543 0.018,544 0.018,545 0.013,546 0.519,547 0.5,548 1,549 0.917,550 99.209,551 -0.142,552 -0.341,553 0.009,554 -0.088,555 -0.104,556 -0.011,557 0.243,558 0.354,559 0.228,560 0.283,561 0.138,562 0.257,563 -0.024,564 -0.331,565 -0.006,566 -0.332,568 -0.208,569 -0.238,570 0.1,571 -0.332,572 0.055,573 -0.186,574 -0.116,575 -0.109,576 -0.156,577 -0.122,578 -0.172,579 -0.059,580 -0.148,581 0.043,582 0.198,583 0.062,584 0.18,585 0.006,586 0.139,587 -0.208,588 -0.115,589 -0.109,590 -0.139,591 -0.141,592 -0.091,593 0.041,594 -0.136,595 0.007,596 -0.211,597 -0.084,598 -0.142,599 2.721,600 5.094,601 0.682,602 15,603 1.037,604 1.132,605 1.574,606 2.476,607 0.673,608 3.219,609 3.611,610 3.932,611 4.174,612 4.419,613 4.554,614 4.635,615 4.745,616 4.796,617 4.754,618 5.028,619 0.678,620 300.3,621 3.219,622 4.796,623 5.68,624 6.586,625 7.491,626 8.401,627 9.313,628 10.227,629 11.142,630 12.059,631 11.8,634 2,635 1,637 4,638 1,639 1,640 5,642 11,643 1,648 34,649 14,650 1,651 24,652 36,653 14,654 9,655 2,656 4,657 2,659 3,660 4,662 1,670 12,671 2,673 3,676 3,678 3,679 1,680 1,681 12,682 7,683 2,684 8,686 1,687 4,688 1,689 0.667,690 4,698 1,699 2,709 1,711 2,713 2,715 22,718 1,723 2,729 11.8,731 1,732 3,735 12.333,736 6.883,737 4.722,738 1.806,739 2.352,740 1.336,741 0.96,742 3.317,743 9.359,744 3.512,745 4.123,746 4.728,747 5.277,748 5.759,749 6.144,750 6.519,751 6.867,752 7.211,753 7.425,754 1,755 39,756 8.144,758 3.628,759 8.311,760 14.606,762 11.851,764 2.811,765 61.833,769 117.711,770 78.372,771 39.82,773 118.118,775 78.372,776 235.829,777 39.82,778 16.793,779 6.249,780 37.905,781 142.846,782 28.241,783 4.276,784 117.711,786 117.711,787 118.192,788 118.118,790 117.711,791 118.118,793 30.447,794 70.959,795 16.786,797 117.711,798 157.938,799 78.372,801 117.711,802 23.674,803 60.946,804 16.786,805 134.904,806 117.711,807 157.938,808 78.372,809 0.607,810 0.373,811 0.184,812 0.1,813 19,814 10,815 0.056,816 2,817 1,818 1.133,819 3.236,820 180.218,821 0.133,822 15,823 98.107,825 14.444,826 5.052,827 2.242,829 141.152,830 6.168,831 4.204,832 2.901,833 1.38,835 59.469,836 354.021,837 32.5,840 35.012,842 -2.025,843 35.251,844 38.492,845 0.351,846 0.756,847 0.841,848 0.899,849 0.945,850 0.945,851 4.785,852 1,853 5.72,854 2.747,855 4.29,856 4.808,857 2.575,858 6.608,859 4.223,860 6.026,861 0.872,862 7.345,863 2.544,864 4.111,865 4.758,866 1.404,867 7.644,868 4.006,869 7.361,870 0.53,871 9.067,872 2.322,873 5.974,874 6.998,875 3.22,876 10.775,877 5.83,878 8.73,879 0.177,880 10.84,881 1.342,882 6.567,883 7.73,884 2.647,885 12.571,886 6.38,887 10.129,888 -0.618,889 12.644,890 0.391,891 7.962,892 9.483,893 4.037,894 15.254,895 7.736,896 11.548,897 -0.808,898 14.469,899 -1.523,900 8.876,901 10.563,902 3.851,903 17.378,904 8.602,905 12.983,906 -1,907 16.309,908 -2,909 10.114,910 12.128,911 4.956,912 19.908,913 9.798,914 3.321,915 -1,916 18.159,917 -2.344,918 11.17,919 13.378,920 5.029,921 22.192,922 10.803,923 2.904,924 11.562,925 20.02,926 -2.768,927 12.358,928 14.863,929 5.945,930 24.665,931 11.945,932 2.614,933 9.324,934 21.888,935 4.244,936 13.481,937 16.199,938 6.188,939 27.03,940 13.014,941 2.324,942 8.17,943 23.763,944 3.805,945 14.657,946 17.651,947 6.98,948 29.483,949 14.14,950 2.257,951 7.555,952 25.644,953 3.291,954 15.811,955 19.032,956 7.336,957 31.887,958 15.24,959 1.564,960 7.436,961 27.531,962 2.895,963 16.988,964 20.47,965 8.048,966 34.334,967 16.365,968 1.087,969 4.078,970 29.423,971 2.723,972 18.159,973 21.875,974 8.477,975 36.758,976 17.481,977 4366,978 8569,979 15.145,980 22.886,981 38.332,982 40.194,983 39.829,984 37.393,985 37.299,986 48.673,987 9.742,988 114.943,989 36.084,990 5.553,991 5.968,992 6.484,993 5.346,994 5.321,995 7.244,996 3.198,997 19.562,998 5.156,999 13.941,1000 1.597,1001 1.675,1002 1.66,1003 1.558,1004 1.554,1005 2.028,1006 0.406,1007 4.789,1008 1.504,1009 4.064,1010 4.106,1011 4.039,1012 3.93,1013 7.475,1014 3.946,1015 3.851,1016 3.877,1017 3.809,1018 3.7,1019 7.444,1020 3.729,1021 3.497,1022 3.556,1023 3.446,1024 3.23,1025 7.411,1026 3.274,1027 3.277,1028 3.36,1029 3.195,1030 3.009,1031 6.351,1032 3.04,1033 3.246,1034 3.243,1035 3.146,1036 2.988,1037 4.95,1038 3.011,1039 2.929,1040 2.979,1041 2.795,1042 2.757,1043 4.597,1044 2.753,1045 2.795,1046 2.832,1047 2.589,1048 2.509,1049 4.069,1050 2.525,1051 2.748,1052 2.81,1053 2.571,1054 2.458,1055 3.919,1056 2.491,1057 0.192,1058 0.165,1059 0.289,1060 0.178,1061 0.138,1062 4.607,1063 0.177,1064 3.968,1065 0.073,1066 6.94,1067 0.482,1068 4.272,1069 0.132,1070 3.321,1071 4.244,1072 1.761,1073 11.562,1074 3.156,1075 1.92,1076 1.899,1077 2.011,1078 2.012,1079 1.112,1080 2.01,1081 1.714,1082 1.672,1083 1.82,1084 1.966,1085 0.903,1086 1.923,1087 1.349,1088 1.296,1089 1.608,1090 1.631,1091 0.664,1092 1.609,1093 1.206,1094 1.13,1095 1.416,1096 1.488,1097 0.476,1098 1.48,1099 1.123,1100 1.065,1101 1.346,1102 1.381,1103 0.383,1104 1.374,1105 1.067,1106 1.027,1107 1.239,1108 1.359,1109 0.227,1110 1.316,1111 0.711,1112 0.645,1113 0.977,1114 1.035,1116 0.988,1117 0.667,1118 0.63,1119 0.819,1120 0.956,1122 0.957,1123 3.892,1125 5.263,1126 2.398,1127 6.83,1128 4.727,1129 8.487,1130 6.88,1131 10.193,1132 2.906,1135 9.028,1140 2.259,1144 23.052,1145 60.651,1146 130.709,1147 145.464,1148 155.464,1149 163.464,1150 163.464,1151 48.449,1152 7.007,1153 109.98,1154 109.98,1155 17,1156 12.57,1157 3.907,1158 3.248,1159 34.378,1160 67,1161 60,1162 0.266,1163 142.626,1164 249.92,1165 339.767,1166 8724,1168 16.016,1169 0.728,1170 0.537,1171 16.016,1172 11.823,1173 10.397,1174 0.433,1175 0.266,1176 6.245,1177 9.817,1178 6.074,1179 5.05,1180 10.397,1181 6.393,1182 9.926,1183 0.276,1184 0.135,1185 9.926,1186 4.874,1187 8.903,1188 0.178,1189 0.07,1190 8.903,1191 3.484,1192 6.777,1193 0.106,1194 0.035,1195 6.777,1196 2.258,1197 5.387,1198 0.066,1199 0.018,1200 5.387,1201 1.443,1202 0.402,1203 66.75,1204 0.257,1205 21.142,1206 0.773,1207 120,1208 446.624,1209 138.071,1210 423.483,1211 563.75,1212 390,1213 146,1214 409.348,1215 164.936,1216 411.932,1217 608.68,1218 384,1219 4.824} {0 CHEMBL275084,1 1.689,2 5.5,3 0.886,4 0.785,5 58.181,6 7.409,7 0.294,8 3.514,9 3.653,10 3.069,11 2.909,12 4.65,13 2.925,14 4.073,15 4.288,16 3.463,17 3.307,18 5.175,19 3.301,20 4.256,21 4.451,22 3.557,23 3.424,24 5.466,25 3.408,26 4.437,27 4.687,28 3.502,29 3.368,30 5.807,31 3.362,32 4.099,33 4.287,34 3.195,35 3.278,36 5.313,37 3.212,38 4.236,39 4.511,40 2.705,41 3.135,42 5.287,43 2.993,44 3.805,45 4.09,46 1.913,47 2.73,48 4.727,49 2.464,50 3.558,51 3.98,52 0.634,53 1.854,54 4.29,55 1.438,56 0.06,57 0.462,58 6.333,59 2.024,60 5.833,61 3.278,62 0.364,63 0.693,64 12.926,65 3.542,66 18.778,67 5.686,68 0.252,69 0.763,70 15.165,71 4.577,72 24.221,73 7.111,74 0.787,75 0.728,76 21.256,77 3.988,78 104,79 6.843,80 0.247,81 0.638,82 12.861,83 3.932,84 26.555,85 6.03,86 0.506,87 0.551,88 17.437,89 3.748,90 69.084,91 6.258,92 0.174,93 0.34,94 10.672,95 3.21,96 18.805,97 5.149,98 0.304,99 0.122,100 10.804,101 2.034,102 46.667,103 3.725,104 28,105 25,106 0.328,107 0.636,108 0.796,109 0.796,110 0.796,111 0.796,112 2.856,113 0.909,114 -2.59,115 -2.61,116 -2.54,117 33.3,118 2,120 1,122 1,123 1,134 1,138 1,140 1,141 1,142 1,150 2,152 5,153 1,155 1,158 1,162 2,164 3,170 5,171 3,183 6,186 1,188 1,193 1,198 2,203 2,231 228,232 10.259,233 10.259,234 10.259,235 10.259,236 10.259,237 9.489,238 13.007,239 5.828,240 10.543,241 8.32,242 8.32,243 8.32,244 8.32,245 8.32,246 6.987,247 16.305,248 2.708,249 8.737,250 3.217,251 1.634,252 0.809,253 0.809,254 0.809,255 0.809,256 3.49,261 1,262 178,263 2.646,265 30.161,266 37.271,269 56.736,270 0.875,271 21.899,274 1,275 1,276 1,277 0.5,278 1,279 1,280 0.93,281 36,282 88,283 4.557,284 3.974,285 6.956,286 4.255,287 3.304,288 4.092,289 1.761,290 11.654,291 3.138,292 3.785,293 3.392,294 5.96,295 3.445,296 2.471,297 3.076,298 1.083,299 8.105,300 2.397,301 3.633,302 2.867,303 5.928,304 3.372,305 2.433,306 2.785,307 0.526,308 7.891,309 2.28,310 3.109,311 2.223,312 4.654,313 2.998,314 2.002,315 2.126,316 0.064,317 4.987,318 1.985,319 2.638,320 1.675,321 3.961,322 2.153,323 1.22,324 1.665,326 2.802,327 1.131,328 2.318,329 1.654,330 3.865,331 1.808,332 0.872,333 1.197,335 2.406,336 0.808,337 1.903,338 1.032,339 3.308,340 1.497,341 0.509,342 0.659,343 1.298,344 0.497,345 1.705,346 0.792,347 2.813,348 1.237,349 0.212,350 0.281,351 0.468,352 0.213,353 0.513,354 -0.229,355 2.311,356 0.302,357 -0.678,358 -0.759,359 -1.792,360 -0.655,361 0.237,362 -0.473,363 2,365 -1,366 -1,367 -2,368 -1,370 -0.821,371 1.603,372 -0.116,373 -1.139,374 -1.392,376 -2.786,377 -1.139,378 -0.053,379 -1,380 1.501,381 -0.401,382 -1.335,383 -1.605,385 -3.454,386 -1.255,387 -0.166,388 -1.061,389 1.296,390 -0.472,391 -1.464,392 -1.92,394 -4.235,395 -1.432,396 -0.233,397 -1.547,398 1.204,399 -0.669,400 -1.611,401 -2,402 -0.4,403 -5.096,404 -1.553,405 -0.657,406 -1.607,407 1.112,408 -0.897,409 -1.843,410 -2.035,411 -0.66,412 -6.017,413 -1.733,414 7.267,415 0.454,416 0.566,417 0.035,418 19,419 1.188,420 7.5,421 0.469,422 11.5,423 0.719,424 12.133,425 0.758,426 18.533,427 0.618,428 12.758,429 0.797,430 3.643,431 0.228,432 3.877,433 0.242,434 0.298,436 0.454,437 0.737,438 1.961,439 0.767,440 1.433,441 0.536,442 1.136,443 0.534,444 0.869,445 0.669,446 0.76,447 0.504,448 0.733,449 0.747,450 1.492,451 0.806,452 1.425,453 0.806,454 1.171,455 1.401,456 0.579,457 0.97,458 0.477,459 1.417,460 0.6,461 0.992,462 1.449,463 1.269,464 1.555,465 0.914,466 1.484,467 1.521,468 0.675,469 1.42,470 0.811,471 1.497,472 1.056,473 0.672,474 1.203,475 1.356,476 1.639,477 0.61,478 1.657,479 1.008,481 0.491,482 0.006,483 1.327,484 0.149,485 3.5,487 2.444,488 1.431,489 1.552,490 0.587,491 0.273,495 1534,496 4570,497 1.923,498 46.7,499 6,500 5,502 1,503 1,505 1,507 1.562,508 1.714,509 2.502,510 -0.107,512 1,514 1,515 50.684,516 1.689,517 3.273,518 4.098,519 4.098,520 4.098,521 4.098,522 1.954,523 3.75,524 3.973,525 2.591,526 310.977,527 6.739,528 2655.21,530 1,533 147.207,534 1.546,535 3.873,536 0.206,538 0.098,539 0.055,540 0.065,541 0.035,542 0.03,546 0.488,547 0.67,548 1,549 1.274,550 62.048,551 -0.073,552 -0.6,553 0.056,554 -0.258,555 -0.041,556 -0.098,557 0.27,558 0.299,559 0.25,560 0.245,561 0.085,562 0.238,563 0.118,564 -0.382,565 0.102,566 -0.353,567 0.048,568 -0.161,569 -0.03,570 0.304,571 0.088,572 0.357,573 0.054,574 0.271,575 -0.123,576 -0.305,577 -0.384,578 -0.475,579 -0.037,580 -0.485,581 -0.404,582 0.173,583 -0.409,584 0.063,585 -0.307,586 -0.14,587 -0.037,588 -0.338,589 -0.437,590 -0.63,591 -0.026,592 -0.626,593 0.062,594 0.284,595 0.677,596 0.737,597 -0.064,598 0.824,599 2.002,600 4.909,601 0.563,602 8.25,603 1.016,604 1.15,605 1.357,606 1.841,607 0.625,608 2.89,609 3.258,610 3.555,611 3.829,612 3.989,613 4.025,614 3.892,615 3.714,616 3.219,617 2.773,618 3.631,619 0.605,620 222.28,621 2.89,622 4.443,623 5.313,624 6.221,625 7.119,626 8.031,627 8.938,628 9.851,629 10.761,630 11.674,631 13.3,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 30,649 7,651 17,652 31,653 10,654 3,657 1,659 2,660 3,662 1,663 2,670 5,671 5,672 1,673 2,676 2,678 2,680 1,681 14,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 16,719 1,722 1,723 2,729 6.7,732 2,735 9.333,736 6.35,737 3.5,738 1.804,739 1.171,740 1.197,741 0.93,742 2.72,743 7.121,744 3.114,745 3.644,746 4.18,747 4.68,748 4.905,749 5.172,750 5.218,751 5.225,752 5.006,753 4.559,754 0.75,755 26,756 5.931,758 2.529,759 8.063,760 10.989,762 8.778,764 2.563,765 41,766 0.002,769 153.024,770 50.836,771 39.82,773 50.29,775 50.836,776 203.314,777 39.82,778 26.047,779 8.354,781 92.17,782 16.786,783 9.36,784 141.253,786 153.024,787 90.656,788 50.29,790 141.253,791 62.061,793 51.409,794 22.462,795 16.786,797 153.024,798 90.11,799 50.836,801 153.024,802 16.171,803 40.914,804 16.786,805 67.075,806 153.024,807 90.11,808 50.836,809 0.596,810 0.357,811 0.196,812 0.108,813 13,814 7,815 0.065,816 2,817 1,818 1.222,819 2.633,820 111.383,821 0.222,822 9,823 62,825 11.144,826 3.905,827 1.749,829 73.324,830 1.433,831 4.029,832 2.765,833 0.81,835 16.786,836 293.97,837 21.5,840 23.636,842 -0.657,843 30.48,844 34.488,845 0.344,846 0.667,847 0.835,848 0.835,849 0.835,850 0.835,851 4.385,852 0.212,853 5.352,854 1.298,855 3.932,856 4.324,857 2.197,858 6.244,859 3.839,860 5.594,861 -0.678,862 6.976,863 0.468,864 3.761,865 4.248,866 1.404,867 7.322,868 3.646,869 6.913,870 -1,871 8.703,872 -1.792,873 5.602,874 6.413,875 2.804,876 10.477,877 5.407,878 8.268,879 -1.139,880 10.487,881 -2,882 6.217,883 7.174,884 2.647,885 12.338,886 5.99,887 9.659,888 -1.335,889 12.305,890 -2.786,891 7.601,892 8.846,893 3.665,894 15.051,895 7.303,896 11.074,897 -1.464,898 14.148,899 -3.454,900 8.545,901 9.969,902 3.851,903 17.237,904 8.205,905 12.508,906 -1.611,907 16.007,908 -4.235,909 9.786,910 11.468,911 4.661,912 19.796,913 9.382,914 3.304,915 -1.843,916 17.879,917 -5.096,918 10.871,919 12.751,920 5.029,921 22.128,922 10.42,923 2.471,924 11.654,925 19.761,926 -6.017,927 12.069,928 14.189,929 5.726,930 24.627,931 11.56,932 2.433,933 8.105,934 21.651,935 4.092,936 13.215,937 15.542,938 6.188,939 27.026,940 12.656,941 2.002,942 7.891,943 23.547,944 3.076,945 14.404,946 16.959,947 6.825,948 29.501,949 13.79,950 1.22,951 4.987,952 25.45,953 2.785,954 15.577,955 18.342,956 7.336,957 31.93,958 14.911,959 0.872,960 2.802,961 27.357,962 2.126,963 16.766,964 19.753,965 7.94,966 34.394,967 16.046,968 0.509,969 2.406,970 29.269,971 1.665,972 17.95,973 21.15,974 8.477,975 36.838,976 17.179,977 1666,978 2985,979 10.463,980 18.739,981 27.059,982 28.44,983 28.088,984 26.094,985 26.048,986 31.762,987 6.869,988 79.22,989 24.896,990 5.506,991 5.859,992 6.429,993 5.328,994 5.304,995 6.77,996 3.071,997 19.654,998 5.026,999 9.816,1000 1.592,1001 1.673,1002 1.652,1003 1.535,1004 1.532,1005 1.868,1006 0.404,1007 4.66,1008 1.464,1009 4.011,1010 4.065,1011 3.983,1012 3.794,1013 7.444,1014 3.835,1015 3.671,1016 3.742,1017 3.525,1018 3.523,1019 7.411,1020 3.511,1021 3.484,1022 3.554,1023 3.4,1024 3.194,1025 4.945,1026 3.236,1027 3.12,1028 3.195,1029 3.026,1030 2.83,1031 4.243,1032 2.86,1033 2.879,1034 3.009,1035 2.692,1036 2.618,1037 4.01,1038 2.617,1039 2.874,1040 2.924,1041 2.499,1042 2.598,1043 3.69,1044 2.57,1045 2.69,1046 2.738,1047 2.482,1048 2.379,1049 3.467,1050 2.396,1051 2.337,1052 2.44,1053 2.167,1054 2.069,1055 3.452,1056 2.082,1057 0.268,1058 0.234,1059 0.409,1060 0.25,1061 0.194,1062 4.557,1063 0.241,1064 3.974,1065 0.104,1066 6.956,1067 0.686,1068 4.255,1069 0.185,1070 3.304,1071 4.092,1072 1.761,1073 11.654,1074 3.138,1075 1.778,1076 1.728,1077 1.984,1078 1.999,1079 1.247,1080 1.978,1081 1.613,1082 1.558,1083 1.768,1084 1.827,1085 0.85,1086 1.83,1087 1.329,1088 1.244,1089 1.531,1090 1.647,1091 0.6,1092 1.616,1093 1.187,1094 1.098,1095 1.465,1096 1.452,1097 0.497,1098 1.469,1099 0.934,1100 0.861,1101 1.417,1102 1.239,1103 0.469,1104 1.308,1105 0.923,1106 0.804,1107 1.213,1108 1.211,1109 0.269,1110 1.202,1111 0.637,1112 0.583,1113 0.799,1114 0.994,1116 0.951,1117 0.451,1118 0.424,1119 0.573,1120 0.844,1122 0.77,1123 3.555,1125 4.905,1126 2.398,1127 6.454,1128 4.595,1129 8.11,1130 6.629,1131 9.83,1132 5.494,1136 0.55,1139 0.315,1140 2.626,1144 18.149,1145 50.684,1146 98.187,1147 122.942,1148 122.942,1149 122.942,1150 122.942,1151 30.915,1152 5.951,1153 72.68,1154 72.68,1155 11,1156 12.188,1157 3,1158 2.459,1159 25.629,1160 35,1161 32,1162 0.4,1163 115.367,1164 196.96,1165 273.256,1166 2089,1168 11.87,1169 0.742,1170 0.595,1171 11.87,1172 9.52,1173 7.52,1174 0.442,1175 0.303,1176 5.032,1177 7.078,1178 4.816,1179 4.093,1180 7.52,1181 5.15,1182 7.129,1183 0.285,1184 0.17,1185 7.129,1186 4.252,1187 5.928,1188 0.174,1189 0.072,1190 5.928,1191 2.459,1192 4.784,1193 0.106,1194 0.038,1195 4.784,1196 1.705,1197 3.611,1198 0.068,1199 0.02,1200 3.611,1201 1.077,1202 0.572,1203 48.341,1204 0.309,1205 15.453,1206 1.282,1207 84,1208 288.739,1209 97.309,1210 272.618,1211 365.36,1212 252,1213 101,1214 268.399,1215 116.114,1216 269.236,1217 399,1218 250,1219 5.097} {0 CHEMBL276830,1 1.716,2 7.9,3 0.595,4 0.354,5 72.441,6 8.222,7 0.5,8 3.64,9 3.77,10 3.282,11 3.105,12 4.874,13 3.136,14 4.135,15 4.312,16 3.694,17 3.5,18 5.36,19 3.518,20 4.308,21 4.459,22 3.8,23 3.608,24 5.675,25 3.628,26 4.463,27 4.661,28 3.648,29 3.544,30 5.89,31 3.537,32 4.242,33 4.479,34 3.297,35 3.379,36 5.384,37 3.31,38 4.014,39 4.244,40 3.163,41 3.18,42 5.19,43 3.13,44 3.876,45 4.073,46 3.07,47 3.072,48 5.164,49 3.044,50 3.864,51 4.095,52 2.724,53 2.929,54 5.042,55 2.818,56 0.099,57 0.551,58 5.739,59 2.284,60 9.574,61 2.964,62 0.356,63 0.839,64 11.43,65 3.905,66 13.728,67 5.339,68 0.276,69 0.952,70 12.612,71 4.803,72 25.548,73 6.214,74 0.745,75 0.933,76 18.593,77 4.787,78 96.169,79 6.296,80 0.364,81 0.759,82 15.168,83 4.658,84 42.49,85 6.667,86 0.298,87 0.606,88 12.191,89 3.934,90 35.33,91 5.413,92 0.236,93 0.541,94 9.579,95 3.032,96 22.083,97 3.981,98 0.253,99 0.461,100 10.733,101 3.701,102 31.518,103 4.992,104 26,105 33,106 0.317,107 0.696,108 0.756,109 0.79,110 0.823,111 0.823,112 3.059,113 0.819,114 -2.55,115 -2.58,116 -2.52,117 39.4,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,144 1,145 1,146 1,150 4,152 4,153 1,155 2,157 3,158 4,160 2,161 3,162 2,166 4,167 2,169 2,170 2,171 3,174 3,176 3,181 1,182 1,183 4,193 7,195 1,196 1,197 1,200 1,203 6,212 2,214 1,215 1,224 2,225 2,231 398,232 13.069,233 13.069,234 13.069,235 13.069,236 13.069,237 11.613,238 14.589,239 7.274,240 13.358,241 10.754,242 10.754,243 10.754,244 10.754,245 10.754,246 8.341,247 17.037,248 3.421,249 11.195,250 3.328,251 1.281,252 0.955,253 0.773,254 0.591,255 0.591,256 3.728,261 1,262 336,263 2.121,265 37.582,266 107.144,269 73.082,270 1.22,271 26.665,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 44.5,282 158,283 4.605,284 3.968,285 6.94,286 4.271,287 3.32,288 4.237,289 1.761,290 11.56,291 3.154,292 4.164,293 3.385,294 6.197,295 3.803,296 2.833,297 3.684,298 1.083,299 9.148,300 2.749,301 3.802,302 2.998,303 5.845,304 3.392,305 2.427,306 3.185,307 0.526,308 7.686,309 2.336,310 3.588,311 2.659,312 5.839,313 3.288,314 2.324,315 2.812,316 0.064,317 7.555,318 2.229,319 3.472,320 2.329,321 5.034,322 3.124,323 2.155,324 2.693,326 6.033,327 2.076,328 2.749,329 1.706,330 4.297,331 2.27,332 1.314,333 1.835,335 3.792,336 1.25,337 2.5,338 1.662,339 4.029,340 2,341 1,342 1.5,343 2.544,344 1,345 2.338,346 1.195,347 3.63,348 1.809,349 0.872,350 1.207,351 2.275,352 0.809,353 1.944,354 1,355 3.414,356 1.552,357 0.551,358 0.713,359 1.382,360 0.544,361 1.69,362 0.817,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 1.115,370 -0.066,371 2.538,372 0.754,373 -0.21,374 -0.264,376 -0.466,377 -0.202,378 0.5,379 -0.433,380 2,382 -1,383 -1.189,385 -2.768,386 -0.944,387 0.363,388 -0.472,389 2,390 -0.02,391 -1,392 -1.343,394 -2.934,395 -1,396 0.155,397 -0.903,398 1.765,399 -0.161,400 -1.114,401 -1.497,403 -3,404 -1.069,406 -1,407 1.72,408 -0.27,409 -1.264,410 -1.5,412 -3.078,413 -1.252,414 9.167,415 0.458,416 0.686,417 0.034,418 28.25,419 1.413,420 14,421 0.7,422 14.25,423 0.713,424 12.541,425 0.627,426 21.433,427 0.649,428 20.7,429 1.035,430 5.801,431 0.29,432 3.685,433 0.184,434 0.225,436 0.469,437 0.828,438 1.536,439 0.712,440 1.08,441 0.653,442 0.884,443 0.555,444 0.872,445 0.606,446 0.7,447 0.535,448 0.658,449 0.887,450 1.448,451 0.853,452 1.34,453 0.873,454 1.131,455 1.459,456 0.908,457 1.264,458 0.862,459 1.522,460 0.993,461 0.918,462 0.981,463 1.073,464 1.044,465 0.801,466 1.077,467 0.944,468 0.824,469 0.923,470 0.916,471 0.905,472 0.922,473 1.276,474 1.062,475 1.195,476 1.118,477 1.134,478 1.122,479 1.064,480 1.004,481 1.195,482 1.302,483 1.276,484 1.314,485 4.5,487 3.333,488 1.722,489 1.664,490 0.803,491 0.421,492 0.303,493 0.174,494 0.096,495 3407,496 10756,497 2.018,498 39.4,500 10,503 3,507 1.62,508 1.818,509 2.967,510 1.201,512 1,514 1,515 56.644,516 1.716,517 3.764,518 4.09,519 4.271,520 4.453,521 4.453,522 2.466,523 3.322,524 4.293,525 3.07,526 583.343,527 7.346,528 5722.84,530 1,533 166.465,534 1.539,535 4.214,536 0.205,538 0.101,539 0.049,540 0.059,541 0.04,542 0.023,543 0.019,544 0.017,545 0.016,546 0.53,547 0.67,548 1,549 0.716,550 86.718,551 -0.146,552 -0.308,553 0.025,554 -0.075,555 -0.124,556 0.006,557 0.242,558 0.273,559 0.243,560 0.268,561 0.059,562 0.255,563 0.019,564 -0.341,565 -0.019,566 -0.35,567 0.019,568 -0.222,569 -0.121,570 0.067,571 -0.264,572 0.036,573 -0.098,574 -0.115,575 -0.073,576 -0.04,577 -0.091,578 -0.065,579 -0.025,580 -0.071,581 -0.034,582 0.102,583 0.07,584 0.084,585 0.002,586 0.095,587 -0.279,588 -0.059,589 -0.264,590 -0.149,591 -0.113,592 -0.18,593 -0.07,594 -0.17,595 -0.168,596 -0.267,597 -0.131,598 -0.258,599 2.082,600 5.047,601 0.75,602 13.08,603 1.021,604 1.139,605 1.324,606 1.753,607 0.666,608 3.135,609 3.526,610 3.85,611 4.094,612 4.344,613 4.477,614 4.511,615 4.615,616 4.654,617 4.522,618 4.688,619 0.656,620 271.31,621 3.135,622 4.71,623 5.595,624 6.5,625 7.404,626 8.316,627 9.227,628 10.142,629 11.058,630 11.976,631 15.2,632 1,634 2,635 1,637 4,638 1,639 1,640 5,642 11,644 1,648 33,649 13,650 1,651 22,652 35,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,679 1,680 1,681 13,682 6,683 3,684 7,686 1,687 5,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 20,716 1,723 2,729 6.1,732 2,735 11,736 6.6,737 4.278,738 1.735,739 2.202,740 1.324,741 1.009,742 2.85,743 9.001,744 3.418,745 4.039,746 4.646,747 5.193,748 5.67,749 6.041,750 6.357,751 6.719,752 7.061,753 7.17,754 1,755 35,756 7.376,758 3.23,759 8.058,760 13.545,762 11.029,764 2.558,765 51.167,769 117.711,770 77.033,771 72.717,773 50.29,775 77.033,776 168.001,777 72.717,778 16.793,779 6.249,780 70.802,781 74.108,782 27.813,783 4.276,784 117.711,786 117.711,787 149.75,788 50.29,790 117.711,791 50.29,793 30.447,794 102.518,795 16.786,797 117.711,798 123.007,799 77.033,801 117.711,802 22.335,803 60.946,804 16.786,805 99.973,806 117.711,807 123.007,808 77.033,809 0.607,810 0.373,811 0.184,812 0.102,813 18,814 9,815 0.029,816 1,817 1,818 1.133,819 3.1,820 158.175,821 0.133,822 15,823 82.439,825 12.844,826 4.438,827 1.935,829 106.221,830 7.102,831 4.286,832 3.006,833 2.614,835 49.683,836 317.751,837 29.5,840 23.903,842 -0.809,843 33.698,844 37.571,845 0.34,846 0.746,847 0.811,848 0.847,849 0.883,850 0.883,851 4.689,852 0.872,853 5.631,854 2.544,855 4.205,856 4.723,857 2.197,858 6.515,859 4.126,860 5.927,861 0.551,862 7.252,863 2.275,864 4.007,865 4.649,866 1.404,867 7.542,868 3.883,869 7.26,870 0.177,871 8.969,872 1.382,873 5.883,874 6.916,875 2.804,876 10.679,877 5.716,878 8.628,879 -0.21,880 10.739,881 0.391,882 6.463,883 7.625,884 2.647,885 12.48,886 6.245,887 10.025,888 -1,889 12.541,890 -0.466,891 7.865,892 9.394,893 3.665,894 15.173,895 7.604,896 11.442,897 -1,898 14.366,899 -2.768,900 8.775,901 10.457,902 3.851,903 17.309,904 8.459,905 12.876,906 -1.114,907 16.206,908 -2.934,909 10.019,910 12.033,911 4.661,912 19.849,913 9.658,914 3.32,915 -1.264,916 18.06,917 -3,918 11.078,919 13.272,920 5.029,921 22.144,922 10.661,923 2.833,924 11.56,925 19.924,926 -3.078,927 12.272,928 14.765,929 5.726,930 24.625,931 11.806,932 2.427,933 9.148,934 21.797,935 4.237,936 13.4,937 16.096,938 6.188,939 26.997,940 12.878,941 2.324,942 7.686,943 23.677,944 3.684,945 14.582,946 17.553,947 6.825,948 29.456,949 14.009,950 2.155,951 7.555,952 25.564,953 3.185,954 15.742,955 18.933,956 7.336,957 31.865,958 15.114,959 1.314,960 6.033,961 27.457,962 2.812,963 16.925,964 20.375,965 7.94,966 34.315,967 16.244,968 1,969 3.792,970 29.354,971 2.693,972 18.101,973 21.781,974 8.477,975 36.743,976 17.365,977 3402,978 6147,979 14.046,980 21.983,981 34.886,982 36.528,983 36.449,984 34.05,985 33.945,986 44.206,987 6.869,988 104.734,989 32.648,990 5.551,991 5.968,992 6.354,993 5.345,994 5.32,995 7.237,996 3.071,997 19.56,998 5.154,999 11.798,1000 1.586,1001 1.66,1002 1.657,1003 1.548,1004 1.543,1005 2.009,1006 0.312,1007 4.761,1008 1.484,1009 4.06,1010 4.105,1011 4.034,1012 3.917,1013 7.444,1014 3.935,1015 3.835,1016 3.873,1017 3.782,1018 3.687,1019 7.411,1020 3.713,1021 3.486,1022 3.555,1023 3.426,1024 3.218,1025 5.122,1026 3.26,1027 3.272,1028 3.36,1029 3.146,1030 3,1031 4.913,1032 3.014,1033 3.021,1034 3.108,1035 2.901,1036 2.814,1037 4.413,1038 2.825,1039 2.854,1040 2.93,1041 2.687,1042 2.735,1043 4.057,1044 2.715,1045 2.852,1046 2.925,1047 2.671,1048 2.531,1049 3.918,1050 2.555,1051 2.793,1052 2.826,1053 2.571,1054 2.46,1055 3.674,1056 2.491,1057 0.209,1058 0.18,1059 0.315,1060 0.194,1061 0.151,1062 4.605,1063 0.193,1064 3.968,1065 0.08,1066 6.94,1067 0.525,1068 4.271,1069 0.143,1070 3.32,1071 4.237,1072 1.761,1073 11.56,1074 3.154,1075 1.908,1076 1.879,1077 2.009,1078 2.01,1079 1.09,1080 2.01,1081 1.714,1082 1.672,1083 1.82,1084 1.966,1085 0.902,1086 1.922,1087 1.342,1088 1.271,1089 1.608,1090 1.629,1091 0.664,1092 1.611,1093 1.198,1094 1.106,1095 1.425,1096 1.478,1097 0.471,1098 1.485,1099 1.123,1100 1.057,1101 1.353,1102 1.375,1103 0.363,1104 1.373,1105 0.886,1106 0.821,1107 1.181,1108 1.2,1109 0.218,1110 1.196,1111 0.819,1112 0.714,1113 1.132,1114 1.062,1116 1.107,1117 0.668,1118 0.631,1119 0.804,1120 1.034,1122 0.974,1123 3.807,1125 5.176,1126 2.398,1127 6.744,1128 4.727,1129 8.402,1130 6.88,1131 10.11,1132 3.025,1134 5.638,1140 2.403,1144 21.644,1145 56.644,1146 124.2,1147 134.955,1148 140.955,1149 146.955,1150 146.955,1151 35.18,1152 6.799,1153 98.7,1154 98.7,1155 17,1156 12.486,1157 3.807,1158 3.087,1159 29.9,1160 58,1161 60,1162 0.276,1163 134.763,1164 228.68,1165 320.581,1166 6632,1168 14.439,1169 0.722,1170 0.552,1171 14.439,1172 11.045,1173 9.486,1174 0.431,1175 0.273,1176 5.875,1177 9.011,1178 5.693,1179 4.756,1180 9.486,1181 6.004,1182 9.016,1183 0.273,1184 0.14,1185 9.016,1186 4.61,1187 8.266,1188 0.18,1189 0.071,1190 8.266,1191 3.285,1192 6.234,1193 0.106,1194 0.036,1195 6.234,1196 2.1,1197 4.978,1198 0.065,1199 0.018,1200 4.978,1201 1.356,1202 0.415,1203 60.42,1204 0.267,1205 19.428,1206 0.812,1207 110,1208 360.052,1209 124.669,1210 347.811,1211 473.93,1212 322,1213 134,1214 355.526,1215 150.447,1216 360.188,1217 531.94,1218 336,1219 6.886} {0 CHEMBL278332,1 1.612,2 6.333,3 1.645,4 2.706,5 67.878,6 6.954,7 0.263,8 3.673,9 3.814,10 3.178,11 3.074,12 4.737,13 3.068,14 4.254,15 4.485,16 3.548,17 3.457,18 5.27,19 3.428,20 4.441,21 4.669,22 3.695,23 3.59,24 5.517,25 3.565,26 4.547,27 4.764,28 3.743,29 3.585,30 5.92,31 3.589,32 4.438,33 4.628,34 3.477,35 3.548,36 5.67,37 3.506,38 4.474,39 4.706,40 3.097,41 3.508,42 5.532,43 3.371,44 4.377,45 4.682,46 2.575,47 3.311,48 5.19,49 3.064,50 4.14,51 4.506,52 1.619,53 2.886,54 4.762,55 2.51,56 0.024,57 0.541,58 8.169,59 2.659,60 4.75,61 4.29,62 0.38,63 0.811,64 16.267,65 4.358,66 18.251,67 7.166,68 0.26,69 0.909,70 19.533,71 5.508,72 21.26,73 8.847,74 0.653,75 0.916,76 22.839,77 4.86,78 88.805,79 8.161,80 0.457,81 0.851,82 19.966,83 4.887,84 54.5,85 7.647,86 0.45,87 0.799,88 20.984,89 5.629,90 62.956,91 8.737,92 0.306,93 0.64,94 19.228,95 5.712,96 42.011,97 9.106,98 0.244,99 0.407,100 15.668,101 4.49,102 35.922,103 7.434,104 34,105 27,106 0.3,107 0.551,108 0.743,109 0.754,110 0.785,111 0.816,112 2.963,113 0.988,114 -3.16,115 -3.15,116 -3.03,117 33.3,118 2,119 2,122 1,123 2,134 1,138 1,140 1,141 1,142 1,150 2,152 6,153 2,161 3,162 2,170 5,171 6,182 1,183 8,193 4,201 1,203 2,210 2,219 1,231 282,232 12.052,233 12.052,234 12.052,235 12.052,236 12.052,237 11.229,238 17.751,239 7.112,240 12.379,241 9.244,242 9.244,243 9.244,244 9.244,245 9.244,246 7.844,247 24.017,248 3.122,249 9.758,250 3.558,251 2.208,252 1.174,253 1.118,254 0.952,255 0.785,256 3.607,261 1,262 230,263 2.739,265 36.197,266 42.926,269 66.53,270 0.815,271 23.417,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 40,282 114,283 4.633,284 3.994,285 7.078,286 4.311,287 3.362,288 4.238,289 1.761,290 12.141,291 3.187,292 3.93,293 3.407,294 6.206,295 3.578,296 2.639,297 3.211,298 1.083,299 8.9,300 2.473,301 3.63,302 2.958,303 6,304 3.38,305 2.434,306 2.793,307 0.526,308 8.256,309 2.291,310 3.037,311 2.275,312 4.799,313 2.607,314 1.644,315 2.161,316 0.064,317 4.678,318 1.568,319 2.583,320 1.933,321 4.198,322 2.341,323 1.377,324 1.591,326 3.32,327 1.323,328 2.394,329 1.502,330 3.777,331 2.274,332 1.274,333 1.349,335 2.46,336 1.268,337 2.249,338 1.043,339 3.451,340 1.81,341 0.873,342 1.122,343 1.87,344 0.815,345 1.646,346 0.941,347 2.923,348 1.373,349 0.368,350 0.449,351 0.723,352 0.365,353 1.543,354 0.826,355 2.759,356 1.221,357 0.202,358 0.24,359 0.364,360 0.202,361 0.734,362 -0.101,363 2,364 0.468,365 -0.491,366 -0.548,367 -0.985,368 -0.465,369 0.379,370 -0.303,371 2,372 0.203,373 -0.801,374 -0.843,376 -1.38,377 -0.779,378 0.281,379 -0.553,380 1.863,381 0.122,382 -0.863,383 -1.057,385 -1.727,386 -0.861,387 0.011,388 -0.839,389 1.653,390 -0.352,391 -1.306,392 -1.625,394 -3.456,395 -1.242,396 -0.142,397 -1.069,398 1.458,399 -0.464,400 -1.476,401 -1.858,403 -4.218,404 -1.496,405 -0.329,406 -1.485,407 1.327,408 -0.716,409 -1.669,410 -1.903,412 -4.653,413 -1.585,414 8.267,415 0.459,416 0.473,417 0.026,418 20.25,419 1.125,420 7.5,421 0.417,422 12.75,423 0.708,424 15.13,425 0.841,426 21.133,427 0.587,428 14.184,429 0.788,430 3.751,431 0.208,432 4.862,433 0.27,434 0.262,436 0.387,437 0.701,438 2.04,439 0.817,440 1.518,441 0.513,442 1.225,443 0.597,444 0.938,445 0.751,446 0.816,447 0.498,448 0.798,449 0.761,450 1.25,451 0.671,452 1.079,453 0.812,454 0.881,455 1.431,456 0.954,457 1.001,458 0.815,459 1.451,460 0.812,461 1.855,462 1.11,463 1.481,464 1.128,465 1.849,466 1.218,467 1.615,468 1.022,469 1.556,470 1.195,471 1.663,472 1.354,473 0.794,474 0.924,475 1.154,476 1.16,477 0.773,478 1.228,479 0.477,480 0.728,481 0.879,482 0.957,483 0.556,484 1.004,485 3,487 2.667,488 2.125,489 1.792,490 0.761,491 0.354,492 0.072,495 2080,496 5448,497 1.931,498 50,499 6,500 7,502 1,505 4,507 1.599,508 1.742,509 2.646,510 -0.654,512 1,513 1,514 1,515 58.039,516 1.612,517 2.962,518 3.996,519 4.051,520 4.218,521 4.385,522 1.891,523 3.725,524 4.137,525 2.726,526 417.131,527 7.087,528 3869.52,530 1,532 1,533 186.117,534 1.572,535 4.056,536 0.158,538 0.099,539 0.069,540 0.058,541 0.033,542 0.025,543 0.01,546 0.452,547 0.5,548 1,549 1.449,550 73.493,551 -0.02,552 -0.652,553 0.072,554 -0.296,555 -0.015,556 -0.126,557 0.26,558 0.231,559 0.21,560 0.178,561 0.081,562 0.179,563 0.148,564 -0.17,565 0.289,566 -0.044,567 0.042,568 0.127,569 0.043,570 0.09,571 0.052,572 0.089,573 0.131,574 0.083,575 -0.409,576 0.013,577 -0.461,578 -0.143,579 -0.24,580 -0.287,581 -0.416,582 -0.019,583 -0.573,584 -0.21,585 -0.302,586 -0.399,587 -0.081,588 -0.081,589 -0.224,590 -0.181,591 -0.051,592 -0.227,593 0.085,594 -0.07,595 0.051,596 -0.046,597 -0.003,598 -0.013,599 1.921,600 5.27,601 0.5,602 10.741,603 1.007,604 1.148,605 1.929,606 3.723,607 0.618,608 2.996,609 3.332,610 3.689,611 4.007,612 4.174,613 4.248,614 4.22,615 4.078,616 3.714,617 3.091,618 3.951,619 0.589,620 250.34,621 2.996,622 4.533,623 5.416,624 6.33,625 7.242,626 8.166,627 9.086,628 10.013,629 10.935,630 11.862,631 11.1,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 36,649 7,651 19,652 37,653 12,654 3,657 1,659 2,660 3,662 1,663 2,668 2,670 5,671 7,673 2,676 2,678 2,680 1,681 18,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 18,719 4,723 2,729 5.6,732 2,735 10.333,736 7.467,737 4.194,738 2.542,739 1.164,740 1.188,741 0.927,742 3.712,743 7.371,744 3.199,745 3.72,746 4.296,747 4.847,748 5.081,749 5.347,750 5.468,751 5.487,752 5.388,753 4.779,754 0.6,755 31,756 6.71,758 2.814,759 7.926,760 12.647,762 10.022,764 2.426,765 43.667,766 0.001,769 211.88,770 58.011,771 24.933,773 50.29,775 58.011,776 262.17,777 24.933,778 26.047,779 15.529,781 92.17,782 1.899,783 9.36,784 200.109,786 211.88,787 82.944,788 50.29,790 164.795,791 97.374,793 43.697,794 22.462,795 16.786,797 211.88,798 75.223,799 58.011,801 211.88,802 23.346,803 42.813,805 67.075,806 211.88,807 75.223,808 58.011,809 0.57,810 0.367,811 0.225,812 0.125,813 13,814 7,815 0.108,816 4,817 1,818 1.222,819 2.801,820 131.894,821 0.222,822 9,823 75.059,825 13.09,826 5.105,827 2.066,829 73.324,830 1.577,831 4.172,833 0.984,834 1.676,836 345.114,837 23.5,840 24.536,842 -0.501,843 36.247,844 41.318,845 0.312,846 0.573,847 0.773,848 0.784,849 0.816,850 0.848,851 4.457,852 0.368,853 5.434,854 1.87,855 4.007,856 4.401,857 2.197,858 6.351,859 3.903,860 5.656,861 0.202,862 7.066,863 0.723,864 3.761,865 4.35,866 1.404,867 7.483,868 3.603,869 6.982,870 -0.491,871 8.805,872 0.364,873 5.687,874 6.532,875 2.804,876 10.664,877 5.462,878 8.351,879 -0.801,880 10.605,881 -0.985,882 6.293,883 7.354,884 2.647,885 12.597,886 6.019,887 9.759,888 -0.863,889 12.441,890 -1.38,891 7.719,892 9.035,893 3.665,894 15.317,895 7.381,896 11.192,897 -1.306,898 14.302,899 -1.727,900 8.679,901 10.219,902 3.851,903 17.568,904 8.295,905 12.646,906 -1.476,907 16.179,908 -3.456,909 9.942,910 11.736,911 4.661,912 20.14,913 9.498,914 3.362,915 -1.669,916 18.068,917 -4.218,918 11.047,919 13.07,920 5.029,921 22.528,922 10.555,923 2.639,924 12.141,925 19.967,926 -4.653,927 12.262,928 14.534,929 5.726,930 25.049,931 11.714,932 2.434,933 8.9,934 21.875,935 4.238,936 13.425,937 15.93,938 6.188,939 27.496,940 12.828,941 1.644,942 8.256,943 23.788,944 3.211,945 14.629,946 17.377,947 6.825,948 30,949 13.978,950 1.377,951 4.678,952 25.707,953 2.793,954 15.818,955 18.799,956 7.336,957 32.475,958 15.116,959 1.274,960 3.32,961 27.63,962 2.161,963 17.022,964 20.242,965 7.94,966 34.973,967 16.267,968 0.873,969 2.46,970 29.558,971 1.591,972 18.223,973 21.676,974 8.477,975 37.459,976 17.415,977 2257,978 3772,979 11.849,980 22.262,981 29.032,982 30.556,983 31.391,984 28.451,985 28.344,986 34.303,987 6.869,988 85.424,989 26.983,990 5.583,991 5.887,992 6.838,993 5.386,994 5.362,995 6.93,996 3.071,997 20.141,998 5.077,999 10.829,1000 1.528,1001 1.608,1002 1.652,1003 1.497,1004 1.492,1005 1.805,1006 0.362,1007 4.496,1008 1.42,1009 4.034,1010 4.087,1011 4.008,1012 3.82,1013 7.444,1014 3.862,1015 3.652,1016 3.727,1017 3.544,1018 3.457,1019 7.411,1020 3.458,1021 3.589,1022 3.669,1023 3.412,1024 3.425,1025 4.893,1026 3.409,1027 3.341,1028 3.408,1029 3.184,1030 3.082,1031 4.171,1032 3.107,1033 3.066,1034 3.146,1035 2.974,1036 2.784,1037 4.114,1038 2.81,1039 2.961,1040 3.04,1041 2.764,1042 2.7,1043 3.867,1044 2.703,1045 2.77,1046 2.843,1047 2.524,1048 2.5,1049 3.686,1050 2.497,1051 2.695,1052 2.77,1053 2.408,1054 2.4,1055 3.446,1056 2.395,1057 0.244,1058 0.21,1059 0.373,1060 0.227,1061 0.177,1062 4.633,1063 0.223,1064 3.994,1065 0.093,1066 7.078,1067 0.639,1068 4.311,1069 0.168,1070 3.362,1071 4.238,1072 1.761,1073 12.141,1074 3.187,1075 1.782,1076 1.735,1077 1.955,1078 2.011,1079 1.204,1080 1.983,1081 1.611,1082 1.535,1083 1.904,1084 1.821,1085 1.155,1086 1.848,1087 1.552,1088 1.478,1089 1.772,1090 1.792,1091 0.886,1092 1.799,1093 1.381,1094 1.308,1095 1.578,1096 1.632,1097 0.652,1098 1.631,1099 1.024,1100 0.944,1101 1.361,1102 1.317,1103 0.51,1104 1.328,1105 0.925,1106 0.858,1107 1.234,1108 1.214,1109 0.356,1110 1.219,1111 0.811,1112 0.706,1113 1.179,1114 1.107,1115 0.174,1116 1.14,1117 0.632,1118 0.57,1119 0.837,1120 0.982,1122 0.944,1123 3.664,1125 4.99,1126 2.398,1127 6.541,1128 4.727,1129 8.211,1130 6.843,1131 9.949,1132 5.716,1136 2.61,1140 2.895,1144 21.203,1145 58.039,1146 106.63,1147 143.853,1148 145.853,1149 151.853,1150 157.853,1151 37.692,1152 6.207,1153 61.82,1154 61.82,1155 11,1156 12.367,1157 3,1158 2.459,1159 30.542,1160 45,1161 43,1162 0.389,1163 134.552,1164 231.56,1165 320.066,1166 2860,1168 13.284,1169 0.738,1170 0.612,1171 13.284,1172 11.011,1173 8.613,1174 0.453,1175 0.329,1176 6.134,1177 8.14,1178 5.923,1179 5.023,1180 8.613,1181 6.26,1182 7.419,1183 0.275,1184 0.164,1185 7.419,1186 4.419,1187 6.534,1188 0.168,1189 0.076,1190 6.534,1191 2.977,1192 5.811,1193 0.108,1194 0.04,1195 5.811,1196 2.159,1197 4.354,1198 0.068,1199 0.022,1200 4.354,1201 1.412,1202 0.559,1203 55.019,1204 0.291,1205 17.288,1206 1.235,1207 92,1208 302.052,1209 106.003,1210 284.223,1211 385.2,1212 264,1213 112,1214 286.597,1215 128.28,1216 285.949,1217 427.97,1218 267,1219 5.921} {0 CHEMBL279688,1 1.731,2 10.833,3 3.078,4 9.471,5 110.529,6 7.76,7 0.344,8 4.12,9 4.228,10 3.848,11 3.627,12 5.196,13 3.596,14 4.695,15 4.868,16 4.159,17 4.022,18 6.066,19 3.981,20 4.951,21 5.15,22 4.226,23 4.173,24 6.116,25 4.111,26 5.119,27 5.363,28 4.22,29 4.15,30 6.36,31 4.103,32 4.953,33 5.162,34 4.114,35 4.094,36 6.146,37 4.058,38 4.916,39 5.105,40 4.135,41 4.115,42 6.115,43 4.071,44 5.005,45 5.21,46 4.076,47 4.128,48 6.283,49 4.044,50 4.929,51 5.152,52 3.885,53 4.061,54 6.038,55 3.946,56 0.153,57 0.849,58 14.664,59 5.446,60 27.064,61 6.648,62 0.704,63 1.342,64 24.567,65 8.9,66 102.257,67 11.846,68 0.474,69 1.64,70 32.974,71 11.339,72 62.175,73 15.315,74 1.088,75 1.705,76 43.125,77 11.289,78 150.093,79 16.127,80 0.772,81 1.544,82 32.571,83 9.358,84 111.341,85 13.129,86 0.634,87 1.56,88 30.871,89 9.125,90 84.86,91 12.858,92 1,93 1.578,94 35.883,95 10.725,96 131.115,97 14.429,98 0.656,99 1.425,100 33.203,101 10.955,102 105.573,103 14.901,104 96,105 48,106 0.285,107 0.602,108 0.729,109 0.77,110 0.806,111 0.806,112 3.441,113 1.054,114 -3.84,115 -3.8,116 -3.61,117 35.7,118 4,119 1,120 2,123 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,148 2,149 1,150 9,152 5,153 3,155 4,157 1,158 8,159 2,161 3,162 9,166 4,167 2,168 2,170 2,171 14,174 3,176 5,180 1,182 1,183 15,188 3,193 17,194 1,198 1,199 1,201 2,202 2,203 10,206 3,207 1,208 1,210 8,212 2,213 1,217 2,219 13,221 2,223 2,225 1,229 14,231 1400,232 18.971,233 18.971,234 18.971,235 18.971,236 18.971,237 17.267,238 17.749,239 10.755,240 19.389,241 15.752,242 15.752,243 15.752,244 15.752,245 15.752,246 12.877,247 20.575,248 5.097,249 16.442,250 4.076,251 2.151,252 1.375,253 1.125,254 0.911,255 0.911,256 4.111,261 1,262 668,263 4.416,265 68.281,266 184.264,269 129.395,270 1.711,271 51.328,274 0.83,275 1,276 1,277 0.5,278 1,279 1,280 0.9,281 67,282 325,283 4.802,284 5.164,285 7.111,286 4.301,287 3.352,288 4.662,289 2.925,290 11.898,291 3.178,292 4.617,293 3.988,294 7.004,295 4.228,296 3.311,297 4.234,298 1.761,299 11.658,300 3.005,301 4.141,302 3.395,303 6.229,304 3.784,305 2.822,306 3.597,307 1.083,308 9.291,309 2.711,310 3.732,311 3.016,312 5.992,313 3.451,314 2.492,315 3.087,316 0.526,317 8.279,318 2.392,319 3.65,320 2.714,321 5.875,322 3.356,323 2.376,324 2.801,325 0.064,326 7.88,327 2.315,328 3.276,329 2.518,330 4.726,331 3.153,332 2.159,333 2.524,335 5.177,336 2.141,337 3.182,338 2.251,339 4.659,340 2.998,341 2.002,342 2.194,343 5.089,344 1.985,345 3.09,346 2.17,347 4.642,348 2.757,349 1.774,350 2.112,351 4.958,352 1.74,353 2.669,354 1.781,355 4.27,356 2.183,357 1.217,358 1.718,359 3.635,360 1.169,361 2.5,362 1.667,363 4.106,364 2,365 1.011,366 1.5,367 2.838,368 1,369 2.37,370 1.295,371 3.721,372 1.98,373 1,374 1.278,376 2.275,377 0.97,378 2.125,379 1,380 3.414,381 1.676,382 0.681,383 0.914,385 1.774,386 0.667,387 1.819,388 0.854,389 3.254,390 1.495,391 0.53,392 0.625,394 1.38,395 0.509,396 1.182,397 0.698,398 2.824,399 0.921,400 -0.114,401 -0.136,403 -0.268,404 -0.116,405 1,406 0.466,407 2.65,408 0.52,409 -0.443,410 -0.576,412 -1.117,413 -0.418,414 14.1,415 0.47,416 1.187,417 0.04,418 36.25,419 1.208,420 16.5,421 0.55,422 19.75,423 0.658,424 29.946,425 0.998,426 34.5,427 0.616,428 30.9,429 1.03,430 6.424,431 0.214,432 7.561,433 0.252,434 0.26,435 0.059,436 0.376,437 0.621,438 1.574,439 0.819,440 1.37,441 0.683,442 1.066,443 0.399,444 1.034,445 0.694,446 0.911,447 0.383,448 0.888,449 0.719,450 1.335,451 0.844,452 1.157,453 0.659,454 1.081,455 1.043,456 0.868,457 0.792,458 0.706,459 0.963,460 0.724,461 1.254,462 0.987,463 0.866,464 0.753,465 1.137,466 0.879,467 1.197,468 1.167,469 0.967,470 0.975,471 1.05,472 1.066,473 1.167,474 0.951,475 1.095,476 0.932,477 1.147,478 1.108,479 1.048,480 0.994,481 0.963,482 0.987,483 1.057,484 1.131,485 8.5,486 0.287,487 4.444,488 2.597,489 2.344,490 1.754,491 1.157,492 0.589,493 0.54,494 0.332,495 10091,496 31606,497 1.929,498 46.4,499 13,500 8,503 2,505 3,507 1.733,508 1.722,509 3.371,510 0.309,512 1,515 96.952,516 1.731,517 3.657,518 4.432,519 4.682,520 4.896,521 4.896,522 2.857,523 4.415,524 4.871,525 3.59,526 1561.65,527 8.529,528 21193.6,530 1,532 1,533 325.212,534 1.736,535 4.777,536 0.266,537 0.012,538 0.093,539 0.052,540 0.047,541 0.038,542 0.026,543 0.015,544 0.016,545 0.012,546 0.576,547 0.33,548 1,549 1.441,550 152.558,551 0.029,552 -0.258,553 0.199,554 -0.118,555 -0.127,556 -0.003,557 0.397,558 0.115,559 0.166,560 0.087,561 0.324,562 0.105,563 0.038,564 -0.254,565 0.038,566 -0.17,567 0.038,568 -0.08,569 -0.003,570 0.095,571 0.12,572 0.144,573 0.026,574 0.204,575 -0.22,576 0.055,577 -0.066,578 0.076,579 -0.143,580 0.038,581 -0.238,582 -0.065,583 -0.153,584 -0.087,585 -0.125,586 -0.131,587 -0.101,588 0.089,589 -0.212,590 -0.037,591 -0.07,592 -0.178,593 -0.156,594 -0.031,595 -0.126,596 -0.069,597 -0.13,598 -0.141,599 5.224,600 6.036,601 0.5,602 31.867,603 1.015,604 1.134,605 2.611,606 6.818,607 0.649,608 3.497,609 3.892,610 4.127,611 4.407,612 4.682,613 4.905,614 5.05,615 5.147,616 5.283,617 5.375,618 6.558,619 0.619,620 434.57,621 3.497,622 5.081,623 5.938,624 6.851,625 7.739,626 8.659,627 9.562,628 10.485,629 11.397,630 12.323,631 7.1,634 2,635 1,637 4,638 1,639 1,640 5,642 11,648 56,649 15,650 1,651 32,652 58,653 20,654 9,655 2,656 4,657 1,659 3,660 4,662 1,663 4,668 1,670 11,671 9,672 2,673 4,675 1,676 4,678 2,680 1,681 26,682 8,683 2,684 10,685 1,686 1,687 4,688 1,689 0.667,690 5,698 1,699 2,709 1,711 2,712 1,713 4,715 30,717 1,718 1,719 3,722 2,723 2,729 8.9,730 1,732 4,735 17.417,736 11.133,737 6.361,738 3.499,739 2.305,740 1.302,741 0.939,742 6.368,743 9.935,744 3.75,745 4.366,746 4.853,747 5.405,748 5.882,749 6.336,750 6.749,751 7.041,752 7.49,753 7.878,754 1,755 50,756 11.58,758 5.4,759 8.142,760 20.849,762 17.352,764 2.642,765 79.25,768 1,769 282.506,770 102.42,771 39.82,773 133.699,774 1.339,775 101.081,776 416.205,777 39.82,778 35.301,779 12.995,780 78.34,781 118.421,782 26.607,783 4.276,784 282.506,786 282.506,787 140.901,788 133.699,789 1.339,790 247.193,791 129.916,792 39.096,793 72.494,794 51.622,795 18.125,797 282.506,798 173.519,799 102.42,800 1.339,801 282.506,802 27.875,803 79.454,804 16.786,805 150.484,806 282.506,807 173.519,808 102.42,809 0.603,810 0.327,811 0.168,812 0.101,813 23,814 13,815 0.121,816 7,817 1,818 1.133,819 3.841,820 271.923,821 0.133,822 15,823 137.207,824 1,825 22.477,826 8.5,827 4.771,829 156.733,830 5.45,831 4.411,832 3.044,833 1.12,835 55.882,836 558.445,837 41.5,839 -4.307,840 48.517,842 -0.827,843 56.84,844 63.527,845 0.298,846 0.63,847 0.763,848 0.806,849 0.843,850 0.843,851 5.042,852 1.774,853 6.004,854 5.089,855 4.575,856 5.053,857 3.262,858 6.901,859 4.488,860 6.297,861 1.217,862 7.633,863 4.958,864 4.511,865 5.239,866 1.404,867 8.118,868 4.356,869 7.659,870 1.011,871 9.368,872 3.635,873 6.301,874 7.334,875 5.093,876 11.17,877 6.091,878 9.06,879 1,880 11.165,881 2.838,882 6.976,883 8.309,884 2.647,885 13.142,886 6.682,887 10.495,888 0.681,889 13,890 2.275,891 8.353,892 10,893 7.163,894 15.796,895 8,896 11.954,897 0.53,898 14.861,899 1.774,900 9.329,901 11.29,902 3.851,903 18.055,904 8.887,905 13.434,906 -0.114,907 16.741,908 1.38,909 10.574,910 12.856,911 9.289,912 20.582,913 10.068,914 3.352,915 -0.443,916 18.634,917 -0.268,918 11.677,919 14.274,920 5.029,921 22.958,922 11.086,923 3.311,924 11.898,925 20.538,926 -1.117,927 12.882,928 15.803,929 11.429,930 25.443,931 12.224,932 2.822,933 11.658,934 22.45,935 4.662,936 14.038,937 17.276,938 6.188,939 27.869,940 13.301,941 2.492,942 9.291,943 24.369,944 4.234,945 15.233,946 18.794,947 13.573,948 30.34,949 14.428,950 2.376,951 8.279,952 26.293,953 3.597,954 16.413,955 20.292,956 7.336,957 32.788,958 15.534,959 2.159,960 7.88,961 28.222,962 3.087,963 17.607,964 21.81,965 15.719,966 35.255,967 16.661,968 2.002,969 5.177,970 30.154,971 2.801,972 18.798,973 23.321,974 8.477,975 37.713,976 17.781,977 10236,978 18450,979 19.709,980 36.318,981 50.229,982 53.719,983 52.008,984 49.454,985 49.455,986 62.489,987 12.718,988 152.262,989 47.565,990 5.756,991 7.164,992 6.526,993 5.377,994 5.352,995 7.662,996 5.85,997 19.898,998 5.178,999 21.668,1000 1.57,1001 1.679,1002 1.625,1003 1.545,1004 1.545,1005 1.953,1006 0.397,1007 4.758,1008 1.486,1009 4.106,1010 4.129,1011 4.722,1012 4.051,1013 7.762,1014 3.997,1015 3.968,1016 3.957,1017 4.028,1018 3.814,1019 7.444,1020 3.813,1021 3.745,1022 3.803,1023 3.707,1024 3.614,1025 7.411,1026 3.593,1027 3.682,1028 3.74,1029 3.559,1030 3.555,1031 6.999,1032 3.528,1033 3.572,1034 3.569,1035 3.491,1036 3.448,1037 6.312,1038 3.41,1039 3.382,1040 3.424,1041 3.317,1042 3.144,1043 4.95,1044 3.164,1045 3.12,1046 3.185,1047 3.03,1048 2.854,1049 4.581,1050 2.874,1051 2.986,1052 3.034,1053 2.817,1054 2.735,1055 4.269,1056 2.755,1057 0.15,1058 0.161,1059 0.222,1060 0.134,1061 0.105,1062 4.802,1063 0.146,1064 5.164,1065 0.091,1066 7.111,1067 0.372,1068 4.301,1069 0.099,1070 3.352,1071 4.662,1072 2.925,1073 11.898,1074 3.178,1075 1.957,1076 1.964,1077 2.018,1078 2.033,1079 1.314,1080 2.053,1081 1.81,1082 1.758,1083 1.994,1084 2.012,1085 1.246,1086 2.006,1087 1.727,1088 1.663,1089 1.976,1090 1.899,1091 1.157,1092 1.931,1093 1.572,1094 1.522,1095 1.719,1096 1.777,1097 0.877,1098 1.779,1099 1.475,1100 1.519,1101 1.529,1102 1.669,1103 0.71,1104 1.676,1105 1.229,1106 1.156,1107 1.417,1108 1.479,1109 0.554,1110 1.498,1111 1.117,1112 1.08,1113 1.417,1114 1.374,1115 0.469,1116 1.367,1117 0.952,1118 0.892,1119 1.36,1120 1.256,1121 0.469,1122 1.308,1123 4.174,1125 5.549,1126 2.398,1127 7.099,1128 4.727,1129 8.739,1130 6.88,1131 10.433,1132 8.012,1135 9.139,1136 1.423,1139 0.504,1140 2.765,1144 34.642,1145 96.952,1146 204.773,1147 248.192,1148 262.192,1149 274.192,1150 274.192,1151 91.502,1152 7.63,1153 127.05,1154 135.43,1155 17,1156 12.83,1157 4,1158 3.392,1159 55.071,1160 119,1161 111,1162 0.237,1163 218.235,1164 383.66,1165 524.252,1166 18858,1168 22.215,1169 0.74,1170 0.608,1171 22.465,1172 18.232,1173 13.985,1174 0.437,1175 0.351,1176 9.774,1177 12.643,1178 9.292,1179 7.842,1180 14.879,1181 11.24,1182 14.184,1183 0.295,1184 0.201,1185 15.571,1186 9.63,1187 10.435,1188 0.171,1189 0.092,1190 11.192,1191 5.635,1192 8.572,1193 0.106,1194 0.045,1195 9.089,1196 3.685,1197 6.952,1198 0.065,1199 0.024,1200 7.309,1201 2.582,1202 0.365,1203 97.4,1204 0.225,1205 27.942,1206 0.672,1207 160,1208 529.22,1209 214.478,1210 525.7,1211 698.63,1212 478,1213 189,1214 483.772,1215 251.491,1216 524.611,1217 771.85,1218 488,1219 5.155} {0 CHEMBL279898,1 1.784,2 5.357,3 0.361,4 0.13,5 48.812,6 8.093,7 0.333,8 3.326,9 3.46,10 2.946,11 2.712,12 4.525,13 2.757,14 3.85,15 4.041,16 3.318,17 3.084,18 5.094,19 3.099,20 4.025,21 4.239,22 3.337,23 3.116,24 5.256,25 3.134,26 3.99,27 4.19,28 3.29,29 3.014,30 5.548,31 3.054,32 3.809,33 4.026,34 2.754,35 2.847,36 5.054,37 2.777,38 3.653,39 3.922,40 2.074,41 2.486,42 4.776,43 2.352,44 3.084,45 3.39,46 1.273,47 1.883,48 4.069,49 1.665,50 2.31,51 2.648,52 0.321,53 0.871,54 3.332,55 0.684,56 0.1,57 0.383,58 4.421,59 1.443,60 7.489,61 2.225,62 0.325,63 0.557,64 9.133,65 2.697,66 19.564,67 4.124,68 0.372,69 0.562,70 12.158,71 3.13,72 39.749,73 4.895,74 0.547,75 0.504,76 11.914,77 2.435,78 69.261,79 3.854,80 0.32,81 0.398,82 9.765,83 2.626,84 34.133,85 3.977,86 0.369,87 0.265,88 9.988,89 2.05,90 51.974,91 3.244,92 0.17,93 0.127,94 5.836,95 1.354,96 19.299,97 2.257,98 0.125,99 0.028,100 3.251,101 0.521,102 20.667,103 0.896,104 12,105 21,106 0.365,107 0.737,108 0.864,109 0.864,110 0.864,111 0.864,112 2.737,113 0.88,114 -1.97,115 -2.02,116 -2.02,117 33.3,118 1,119 1,123 1,134 1,138 1,140 1,141 1,142 1,150 1,152 2,153 1,155 4,162 1,164 2,165 1,170 4,171 2,174 1,176 1,183 2,186 1,188 2,193 1,198 1,203 1,231 148,232 9.422,233 9.422,234 9.422,235 9.422,236 9.422,237 8.603,238 11.96,239 5.585,240 9.661,241 7.348,242 7.348,243 7.348,244 7.348,245 7.348,246 5.99,247 15.267,248 2.515,249 7.712,250 2.801,251 0.985,252 0.365,253 0.365,254 0.365,255 0.365,256 3.372,261 1,262 154,263 2.121,265 24.67,266 30.986,269 46.895,270 0.837,271 19.636,274 0.83,275 0.83,276 0.8,278 1,279 1,280 0.78,281 32,282 75,283 4.491,284 3.844,285 6.793,286 4.159,287 3.208,288 4.059,289 1.713,290 11.146,291 3.049,292 3.704,293 3.386,294 5.862,295 3.384,296 2.414,297 2.927,298 1.001,299 7.83,300 2.33,301 3.453,302 2.789,303 5.188,304 3.056,305 2.089,306 2.654,307 0.514,308 6.072,309 2.003,310 2.693,311 1.935,312 3.828,313 2.347,314 1.357,315 1.702,317 2.948,318 1.334,319 2.342,320 1.185,321 3.682,322 2.028,323 1.092,324 1.315,326 2.361,327 1.018,328 2.26,329 1.044,330 3.353,331 1.685,332 0.738,333 1.074,335 1.859,336 0.691,337 1.57,338 0.819,339 2.81,340 1.291,341 0.312,342 0.371,343 0.587,344 0.304,345 1,346 0.587,347 2.444,348 0.528,349 -0.53,350 -0.69,351 -1.209,352 -0.545,353 0.447,354 -0.335,355 1.774,356 0.254,357 -0.726,358 -0.811,359 -1.335,360 -0.704,361 0.125,362 -0.829,363 1.641,364 -0.16,365 -1.148,366 -1.506,367 -2.747,368 -1.137,369 -0.053,370 -0.873,371 1.484,372 -0.464,373 -1.463,374 -1.891,376 -3.833,377 -1.432,378 -0.206,379 -1.535,380 1.373,381 -0.664,382 -1.604,383 -2,384 -0.4,385 -4.779,386 -1.547,387 -0.583,388 -1.56,389 1,390 -0.845,391 -1.794,392 -2.034,393 -0.502,394 -5.599,395 -1.7,396 -0.797,397 -1.78,398 0.529,399 -1.029,400 -1.944,401 -2.492,402 -1.019,403 -5.814,404 -1.779,405 -0.947,406 -1.878,407 0.241,408 -1.072,409 -2,410 -2.678,411 -1.306,412 -7.487,413 -1.886,414 6.267,415 0.448,416 0.35,417 0.025,418 17.75,419 1.268,420 7.5,421 0.536,422 10.25,423 0.732,424 8.613,425 0.615,426 15.933,427 0.664,428 10.893,429 0.778,430 3.499,431 0.25,432 3.238,433 0.231,434 0.186,436 0.383,437 0.792,438 1.855,439 0.71,440 1.306,441 0.532,442 1.008,443 0.47,444 1.035,445 0.692,446 0.971,447 0.491,448 0.899,449 0.875,450 1.133,451 0.73,452 1.028,453 0.914,454 0.866,455 1.115,456 0.831,457 0.997,458 0.783,459 1.077,460 0.83,461 1.092,462 1.119,463 1.314,464 1.346,465 1.068,466 1.387,467 1.54,468 0.656,469 1.492,470 0.86,471 1.594,472 1.135,473 0.955,474 0.749,475 1.195,476 1.095,477 0.965,478 1.209,479 1.73,481 0.968,482 0.012,483 2.21,484 0.31,485 2.5,487 2,488 1.118,489 1.041,490 0.306,491 0.136,495 1108,496 3782,497 1.993,498 41.7,499 3,500 2,502 1,503 2,505 2,507 1.517,508 1.826,509 2.457,510 0.686,515 42.82,516 1.784,517 3.599,518 4.22,519 4.22,520 4.22,521 4.22,522 1.924,523 3.522,524 3.778,525 2.497,526 227.199,527 6.339,528 1755.87,530 1,533 110.039,534 1.531,535 3.714,536 0.167,538 0.095,539 0.053,540 0.055,541 0.031,542 0.034,546 0.435,547 0.67,548 1,549 1.292,550 51.216,551 -0.149,552 -0.533,553 0.028,554 -0.196,555 -0.042,556 -0.051,557 0.286,558 0.127,559 0.164,560 0.036,561 0.103,562 0.049,563 0.036,564 -0.15,565 0.217,566 -0.046,567 -0.022,568 0.109,569 0.071,570 0.15,571 -0.022,572 0.095,573 0.168,574 0.037,575 -0.168,576 -0.159,577 -0.383,578 -0.362,579 -0.111,580 -0.419,581 -0.416,582 0.082,583 -0.426,584 0.022,585 -0.355,586 -0.175,587 -0.071,588 -0.097,589 -0.1,590 -0.167,591 -0.067,592 -0.146,593 -0.26,594 0.247,595 0.399,596 0.782,597 -0.384,598 0.749,599 2.088,600 4.395,601 0.643,602 6.653,603 1.03,604 1.152,605 0.736,606 0.542,607 0.634,608 2.773,609 3.091,610 3.401,611 3.689,612 3.784,613 3.761,614 3.584,615 3.434,616 2.89,617 2.197,618 3.372,619 0.629,620 194.22,621 2.773,622 4.29,623 5.153,624 6.047,625 6.934,626 7.834,627 8.727,628 9.627,629 10.522,630 11.422,631 16.7,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 24,649 7,651 15,652 25,653 8,654 3,657 1,659 2,660 3,662 1,663 1,668 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,683 2,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 1,715 14,719 2,720 1,723 1,729 8.3,732 2,735 7.667,736 4.567,737 3.194,738 1.546,739 1.201,740 1.211,741 0.962,742 2.252,743 6.901,744 3.02,745 3.534,746 4.067,747 4.613,748 4.779,749 5.02,750 4.983,751 5.031,752 4.8,753 3.876,754 0.75,755 21,756 5.164,757 0.002,758 2.209,759 8.19,760 9.451,761 0.001,762 7.475,763 -0.001,764 2.69,765 37.667,766 0.003,769 94.169,770 36.149,771 54.706,773 50.29,775 36.149,776 144.459,777 54.706,778 8.825,779 25.775,781 92.17,782 16.786,783 9.36,784 82.398,786 94.169,787 90.855,788 50.29,790 70.627,791 73.832,793 60.005,794 14.065,795 16.786,797 94.169,798 104.996,799 36.149,801 94.169,802 18.705,803 20.568,804 34.796,805 67.075,806 94.169,807 104.996,808 36.149,809 0.572,810 0.357,811 0.213,812 0.109,813 11,814 5,815 0.08,816 2,817 1,818 1.222,819 2.532,820 90.345,821 0.222,822 9,823 53.303,825 9.214,826 3.422,827 1.431,829 88.21,830 1.408,831 3.946,832 2.699,833 0.763,835 34.796,836 235.314,837 19.5,840 22.672,842 -0.827,843 24.713,844 27.658,845 0.389,846 0.785,847 0.92,848 0.92,849 0.92,850 0.92,851 4.252,852 -0.53,853 5.153,854 0.587,855 3.761,856 4.212,857 2.123,858 6.019,859 3.67,860 5.442,861 -0.726,862 6.749,863 -1.209,864 3.434,865 4.06,866 1.305,867 7.05,868 3.33,869 6.751,870 -1.148,871 8.452,872 -1.335,873 5.389,874 6.31,875 2.693,876 10.194,877 5.195,878 8.1,879 -1.463,880 10.217,881 -2.747,882 5.916,883 7.035,884 2.473,885 12.049,886 5.697,887 9.486,888 -1.604,889 12.021,890 -3.833,891 7.353,892 8.746,893 3.51,894 14.716,895 7.057,896 10.897,897 -1.794,898 13.849,899 -4.779,900 8.249,901 9.852,902 3.63,903 16.893,904 7.917,905 12.326,906 -1.944,907 15.696,908 -5.599,909 9.502,910 11.367,911 4.453,912 19.401,913 9.104,914 3.208,915 -2,916 17.555,917 -5.814,918 10.555,919 12.642,920 4.762,921 21.712,922 10.113,923 2.414,924 11.146,925 19.424,926 -7.487,927 11.745,928 14.084,929 5.462,930 24.162,931 11.244,932 2.089,933 7.83,934 21.3,935 4.059,936 12.863,937 15.43,938 5.873,939 26.53,940 12.313,941 1.357,942 6.072,943 23.183,944 2.927,945 14.033,946 16.846,947 6.504,948 28.957,949 13.429,950 1.092,951 2.948,952 25.071,953 2.654,954 15.178,955 18.223,956 6.97,957 31.349,958 14.523,959 0.738,960 2.361,961 26.963,962 1.702,963 16.343,964 19.629,965 7.562,966 33.766,967 15.635,968 0.312,969 1.859,970 28.858,971 1.315,972 17.499,973 21.02,974 8.059,975 36.169,976 16.74,977 1201,978 2311,979 9.652,980 15.216,981 22.825,982 23.926,983 23.83,984 22.37,985 22.421,986 28.203,987 6.457,988 65.605,989 21.457,990 5.437,991 5.722,992 6.552,993 5.231,994 5.208,995 6.737,996 3.02,997 18.633,998 4.935,999 6.997,1000 1.522,1001 1.595,1002 1.589,1003 1.491,1004 1.495,1005 1.88,1006 0.43,1007 4.374,1008 1.43,1009 3.999,1010 4.054,1011 3.97,1012 3.777,1013 7.447,1014 3.82,1015 3.593,1016 3.672,1017 3.452,1018 3.418,1019 7.411,1020 3.407,1021 3.379,1022 3.437,1023 3.289,1024 3.057,1025 4.946,1026 3.116,1027 3.052,1028 3.108,1029 2.976,1030 2.751,1031 4.147,1032 2.794,1033 2.743,1034 2.786,1035 2.547,1036 2.444,1037 3.832,1038 2.463,1039 2.393,1040 2.497,1041 2.203,1042 2.141,1043 3.636,1044 2.145,1045 2.152,1046 2.292,1047 1.984,1048 1.728,1049 3.343,1050 1.784,1051 2.032,1052 2.19,1053 1.636,1054 1.683,1055 2.968,1056 1.626,1057 0.299,1058 0.256,1059 0.453,1060 0.277,1061 0.214,1062 4.491,1063 0.271,1064 3.844,1065 0.114,1066 6.793,1067 0.743,1068 4.159,1069 0.203,1070 3.208,1071 4.059,1072 1.713,1073 11.146,1074 3.049,1075 1.735,1076 1.687,1077 1.932,1078 1.972,1079 1.18,1080 1.944,1081 1.533,1082 1.47,1083 1.687,1084 1.766,1085 0.753,1086 1.765,1087 1.311,1088 1.227,1089 1.491,1090 1.62,1091 0.497,1092 1.593,1093 0.928,1094 0.885,1095 1.282,1096 1.234,1097 0.306,1098 1.247,1099 0.888,1100 0.801,1101 1.014,1102 1.206,1104 1.153,1105 0.521,1106 0.485,1107 0.801,1108 0.907,1110 0.85,1111 0.124,1113 0.576,1114 0.539,1116 0.603,1119 0.32,1120 0.284,1122 0.275,1123 3.434,1125 4.745,1126 2.398,1127 6.271,1128 4.595,1129 7.912,1130 6.629,1131 9.616,1132 1.954,1136 1.366,1137 2.233,1140 1.452,1144 15.096,1145 42.82,1146 86.388,1147 101.284,1148 101.284,1149 101.284,1150 101.284,1151 22.376,1152 5.7,1153 83.54,1154 83.54,1155 11,1156 11.945,1157 3,1158 2.459,1159 21.096,1160 29,1161 30,1162 0.411,1163 96.182,1164 162.36,1165 226.445,1166 1541,1168 10.129,1169 0.724,1170 0.55,1171 10.129,1172 7.702,1173 6.736,1174 0.449,1175 0.293,1176 4.295,1177 6.321,1178 4.224,1179 3.537,1180 6.736,1181 4.399,1182 5.901,1183 0.281,1184 0.143,1185 5.901,1186 3.012,1187 5.002,1188 0.172,1189 0.069,1190 5.002,1191 2.015,1192 4.445,1193 0.114,1194 0.036,1195 4.445,1196 1.413,1197 3.159,1198 0.073,1199 0.02,1200 3.159,1201 0.839,1202 0.584,1203 43.427,1204 0.322,1205 13.662,1206 1.322,1207 72,1208 271.427,1209 84.949,1210 254.984,1211 340.38,1212 236,1213 86,1214 248.484,1215 99.284,1216 245.969,1217 364.59,1218 231,1219 4.043} {0 CHEMBL28194,1 1.689,2 5.625,3 0.916,4 0.838,5 58.457,6 7.409,7 0.294,8 3.514,9 3.653,10 3.069,11 2.909,12 4.636,13 2.925,14 4.073,15 4.287,16 3.442,17 3.284,18 5.172,19 3.274,20 4.257,21 4.485,22 3.562,23 3.375,24 5.408,25 3.38,26 4.301,27 4.485,28 3.58,29 3.358,30 5.815,31 3.39,32 4.222,33 4.417,34 3.168,35 3.299,36 5.457,37 3.235,38 4.175,39 4.443,40 2.632,41 3.134,42 5.163,43 2.966,44 3.911,45 4.245,46 1.813,47 2.732,48 4.687,49 2.434,50 3.368,51 3.767,52 0.688,53 1.924,54 4.007,55 1.527,56 0.06,57 0.462,58 6.333,59 2.024,60 5.891,61 3.278,62 0.353,63 0.684,64 12.878,65 3.475,66 17.233,67 5.67,68 0.322,69 0.734,70 16.037,71 4.144,72 29.077,73 6.751,74 0.636,75 0.716,76 17.104,77 3.64,78 86.009,79 5.744,80 0.44,81 0.652,82 15.546,83 3.934,84 56.039,85 6.015,86 0.396,87 0.544,88 15.845,89 3.944,90 51.528,91 6.427,92 0.246,93 0.342,94 12.825,95 3.433,96 30.762,97 5.773,98 0.192,99 0.133,100 8.33,101 1.923,102 27.846,103 3.372,104 22,105 24,106 0.328,107 0.623,108 0.788,109 0.852,110 0.852,111 0.852,112 2.856,113 0.948,114 -2.59,115 -2.61,116 -2.54,117 33.3,118 2,119 1,123 2,134 1,138 1,140 1,141 1,142 1,150 1,152 5,153 2,155 1,162 1,164 3,170 5,171 6,183 3,186 1,188 2,193 2,198 1,201 1,203 1,210 1,231 208,232 10.845,233 10.845,234 10.845,235 10.845,236 10.845,237 10.075,238 14.589,239 6.312,240 11.174,241 8.233,242 8.233,243 8.233,244 8.233,245 8.233,246 6.914,247 18.073,248 2.728,249 8.696,250 3.217,251 1.701,252 0.85,253 0.517,254 0.517,255 0.517,256 3.496,261 1,262 183,263 2.449,265 30.638,266 36.866,269 56.727,270 0.797,271 22.368,274 1,275 1,276 1,277 0.5,278 1,279 1,280 0.93,281 36,282 90,283 4.562,284 3.984,285 6.98,286 4.263,287 3.312,288 4.094,289 1.761,290 11.772,291 3.145,292 3.802,293 3.39,294 6.023,295 3.425,296 2.482,297 3.097,298 1.083,299 8.332,300 2.35,301 3.62,302 2.865,303 5.945,304 3.366,305 2.404,306 2.776,307 0.526,308 8.015,309 2.284,310 2.729,311 1.937,312 4.149,313 2.371,314 1.394,315 1.762,316 0.064,317 3.208,318 1.354,319 2.381,320 1.861,321 3.976,322 2.084,323 1.128,324 1.331,326 2.563,327 1.073,328 2.334,329 1.185,330 3.414,331 1.96,332 1,333 1.259,335 2.179,336 0.95,337 2.078,338 1.033,339 3.221,340 1.6,341 0.618,342 0.834,343 1.271,344 0.599,345 1.56,346 0.64,347 2.775,348 1.279,349 0.3,350 0.353,351 0.544,352 0.292,353 1,354 0.328,355 2.347,356 0.731,357 -0.309,358 -0.373,359 -0.501,360 -0.317,361 0.448,362 -0.334,363 2,364 0.254,365 -0.726,366 -0.799,367 -1.291,368 -0.703,369 0.165,370 -0.76,371 1.724,372 -0.14,373 -1.144,374 -1.466,376 -2.706,377 -1.136,378 -0.053,379 -0.83,380 1.506,381 -0.461,382 -1.463,383 -1.77,385 -4.05,386 -1.432,387 -0.203,388 -1.313,389 1.388,390 -0.647,391 -1.59,392 -1.892,394 -4.169,395 -1.52,396 -0.424,397 -1.544,398 1.288,399 -0.677,400 -1.618,401 -2,402 -0.4,403 -4.925,404 -1.549,405 -0.744,406 -1.575,407 0.53,408 -0.898,409 -1.835,410 -2.034,411 -0.66,412 -6.048,413 -1.717,414 7.267,415 0.454,416 0.384,417 0.024,418 19,419 1.188,420 7.5,421 0.469,422 11.5,423 0.719,424 11.866,425 0.742,426 18.533,427 0.618,428 12.499,429 0.781,430 3.636,431 0.227,432 4.066,433 0.254,434 0.229,436 0.385,437 0.737,438 1.961,439 0.767,440 1.433,441 0.52,442 1.136,443 0.525,444 1.022,445 0.716,446 0.901,447 0.512,448 0.848,449 0.821,450 1.118,451 0.63,452 0.965,453 0.824,454 0.77,455 1.517,456 0.958,457 1.099,458 0.866,459 1.591,460 0.884,461 1.598,462 1.135,463 1.511,464 1.237,465 1.632,466 1.349,467 1.228,468 0.888,469 1.418,470 1.099,471 1.165,472 1.277,473 0.61,474 0.821,475 1.064,476 1.125,477 0.571,478 1.193,479 0.632,480 0.349,481 0.611,482 0.487,483 0.841,484 0.564,485 2.5,487 2.444,488 1.681,489 1.432,490 0.504,491 0.233,495 1522,496 4504,497 1.958,498 46.7,499 3,500 4,502 1,503 1,505 5,507 1.563,508 1.778,509 2.513,510 -0.107,512 1,514 1,515 50.684,516 1.689,517 3.206,518 4.057,519 4.39,520 4.39,521 4.39,522 1.883,523 3.625,524 3.97,525 2.573,526 308.708,527 6.743,528 2643.45,530 1,533 147.207,534 1.561,535 3.895,536 0.147,538 0.102,539 0.062,540 0.055,541 0.031,542 0.029,546 0.427,547 0.67,548 1,549 1.375,550 61.941,551 -0.073,552 -0.6,553 0.056,554 -0.258,555 -0.026,556 -0.098,557 0.279,558 0.141,559 0.201,560 0.099,561 0.072,562 0.119,563 0.104,564 -0.083,565 0.326,566 0.026,567 0.045,568 0.208,569 -0.033,570 0.089,571 -0.082,572 0.05,573 0.086,574 -0.011,575 -0.381,576 -0.084,577 -0.556,578 -0.251,579 -0.264,580 -0.422,581 -0.3,582 0.011,583 -0.454,584 -0.158,585 -0.217,586 -0.317,587 0.026,588 -0.095,589 -0.092,590 -0.185,591 0.007,592 -0.167,593 0.15,594 0.081,595 0.468,596 0.359,597 0.008,598 0.461,599 1.965,600 4.995,601 0.563,602 8.25,603 1.016,604 1.15,605 1.357,606 1.841,607 0.625,608 2.89,609 3.219,610 3.584,611 3.871,612 3.989,613 4.043,614 3.932,615 3.738,616 3.219,617 2.708,618 3.603,619 0.605,620 222.28,621 2.89,622 4.419,623 5.303,624 6.209,625 7.116,626 8.029,627 8.941,628 9.856,629 10.77,630 11.686,631 13.3,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 30,649 7,651 17,652 31,653 10,654 3,657 1,659 2,660 3,662 1,663 2,668 1,670 5,671 5,673 2,676 2,678 2,680 1,681 14,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 16,719 3,723 2,729 6.7,732 2,735 9,736 6.017,737 3.75,738 2.121,739 1.171,740 1.196,741 0.942,742 2.965,743 7.132,744 3.114,745 3.618,746 4.195,747 4.717,748 4.898,749 5.183,750 5.231,751 5.269,752 5.033,753 4.486,754 0.75,755 27,756 5.943,758 2.52,759 8.042,760 11.049,762 8.745,764 2.542,765 40.667,766 0.002,769 153.024,770 47.08,771 39.82,773 50.29,775 47.08,776 203.314,777 39.82,778 17.65,779 12.995,781 92.17,782 16.786,783 9.36,784 141.253,786 153.024,787 86.9,788 50.29,790 94.169,791 109.145,793 56.049,794 14.065,795 16.786,797 153.024,798 90.11,799 47.08,801 153.024,802 20.811,803 32.518,804 16.786,805 67.075,806 153.024,807 90.11,808 47.08,809 0.569,810 0.378,811 0.226,812 0.113,813 12,814 6,815 0.097,816 3,817 1,818 1.222,819 2.652,820 111.172,821 0.222,822 9,823 64,825 11.144,826 4.257,827 1.646,829 73.324,830 1.442,831 4.028,832 2.784,833 0.844,835 16.786,836 290.214,837 21.5,840 23.871,842 -0.582,843 30.48,844 34.488,845 0.344,846 0.653,847 0.827,848 0.895,849 0.895,850 0.895,851 4.36,852 0.3,853 5.313,854 1.271,855 3.892,856 4.297,857 2.197,858 6.221,859 3.791,860 5.549,861 -0.309,862 6.94,863 0.544,864 3.611,865 4.159,866 1.404,867 7.338,868 3.476,869 6.866,870 -0.726,871 8.675,872 -0.501,873 5.565,874 6.397,875 2.804,876 10.504,877 5.351,878 8.226,879 -1.144,880 10.47,881 -1.291,882 6.155,883 7.151,884 2.647,885 12.407,886 5.906,887 9.625,888 -1.463,889 12.301,890 -2.706,891 7.582,892 8.842,893 3.665,894 15.112,895 7.264,896 11.049,897 -1.59,898 14.155,899 -4.05,900 8.528,901 9.968,902 3.851,903 17.324,904 8.17,905 12.492,906 -1.618,907 16.025,908 -4.169,909 9.785,910 11.472,911 4.661,912 19.88,913 9.365,914 3.312,915 -1.835,916 17.906,917 -4.925,918 10.877,919 12.756,920 5.029,921 22.23,922 10.412,923 2.482,924 11.772,925 19.795,926 -6.048,927 12.083,928 14.196,929 5.726,930 24.732,931 11.562,932 2.404,933 8.332,934 21.691,935 4.094,936 13.234,937 15.549,938 6.188,939 27.144,940 12.664,941 1.394,942 8.015,943 23.594,944 3.097,945 14.428,946 16.966,947 6.825,948 29.625,949 13.804,950 1.128,951 3.208,952 25.501,953 2.776,954 15.605,955 18.35,956 7.336,957 32.066,958 14.931,959 1,960 2.563,961 27.412,962 1.762,963 16.797,964 19.761,965 7.94,966 34.538,967 16.071,968 0.618,969 2.179,970 29.328,971 1.331,972 17.985,973 21.158,974 8.477,975 36.992,976 17.207,977 1655,978 2949,979 10.751,980 18.739,981 25.899,982 27.016,983 27.885,984 25.261,985 25.278,986 31.01,987 6.869,988 75.769,989 24.092,990 5.51,991 5.872,992 6.739,993 5.337,994 5.312,995 6.772,996 3.071,997 19.772,998 5.034,999 8.846,1000 1.523,1001 1.589,1002 1.64,1003 1.486,1004 1.487,1005 1.824,1006 0.404,1007 4.457,1008 1.417,1009 4.012,1010 4.065,1011 3.984,1012 3.793,1013 7.444,1014 3.835,1015 3.599,1016 3.677,1017 3.489,1018 3.418,1019 7.411,1020 3.408,1021 3.549,1022 3.628,1023 3.386,1024 3.332,1025 4.945,1026 3.34,1027 3.204,1028 3.275,1029 3.037,1030 2.93,1031 4.159,1032 2.955,1033 3.022,1034 3.066,1035 2.937,1036 2.728,1037 4.077,1038 2.77,1039 2.739,1040 2.785,1041 2.535,1042 2.439,1043 3.687,1044 2.456,1045 2.413,1046 2.537,1047 2.203,1048 2.157,1049 3.519,1050 2.151,1051 2.308,1052 2.423,1053 2.018,1054 1.954,1055 3.209,1056 1.942,1057 0.268,1058 0.234,1059 0.411,1060 0.251,1061 0.195,1062 4.562,1063 0.241,1064 3.984,1065 0.104,1066 6.98,1067 0.692,1068 4.263,1069 0.185,1070 3.312,1071 4.094,1072 1.761,1073 11.772,1074 3.145,1075 1.763,1076 1.716,1077 1.94,1078 1.999,1079 1.186,1080 1.968,1081 1.574,1082 1.501,1083 1.846,1084 1.791,1085 1.024,1086 1.816,1087 1.406,1088 1.329,1089 1.619,1090 1.672,1091 0.717,1092 1.665,1093 1.299,1094 1.216,1095 1.484,1096 1.567,1097 0.496,1098 1.563,1099 0.925,1100 0.865,1101 1.267,1102 1.216,1103 0.307,1104 1.229,1105 0.814,1106 0.746,1107 1.047,1108 1.141,1109 0.161,1110 1.1,1111 0.525,1112 0.484,1113 0.819,1114 0.907,1116 0.864,1117 0.305,1118 0.184,1119 0.711,1120 0.701,1122 0.716,1123 3.555,1125 4.875,1126 2.398,1127 6.425,1128 4.595,1129 8.094,1130 6.629,1131 9.828,1132 3.758,1136 1.764,1140 2.757,1144 18.149,1145 50.684,1146 96.187,1147 121.697,1148 131.697,1149 131.697,1150 131.697,1151 30.413,1152 5.961,1153 72.68,1154 72.68,1155 11,1156 12.197,1157 3,1158 2.459,1159 25.585,1160 36,1161 36,1162 0.405,1163 115.367,1164 196.96,1165 273.256,1166 2105,1168 11.707,1169 0.732,1170 0.585,1171 11.707,1172 9.357,1173 7.702,1174 0.453,1175 0.316,1176 5.257,1177 7.255,1178 5.125,1179 4.305,1180 7.702,1181 5.37,1182 6.501,1183 0.271,1184 0.149,1185 6.501,1186 3.585,1187 5.97,1188 0.171,1189 0.073,1190 5.97,1191 2.559,1192 5.259,1193 0.112,1194 0.039,1195 5.259,1196 1.811,1197 3.584,1198 0.068,1199 0.021,1200 3.584,1201 1.091,1202 0.576,1203 49.349,1204 0.305,1205 15.443,1206 1.306,1207 82,1208 286.739,1209 95.643,1210 269.087,1211 363.74,1212 250,1213 100,1214 269.752,1215 115.114,1216 266.775,1217 399.99,1218 251,1219 5.409} {0 CHEMBL282038,1 1.76,2 5.688,3 1.092,4 1.193,5 56.914,6 8.394,7 0.294,8 3.396,9 3.517,10 3.06,11 2.809,12 4.676,13 2.857,14 3.91,15 4.112,16 3.445,17 3.168,18 5.133,19 3.214,20 4.004,21 4.124,22 3.587,23 3.328,24 5.402,25 3.37,26 4.251,27 4.433,28 3.548,29 3.284,30 5.868,31 3.333,32 3.96,33 4.149,34 3.065,35 3.091,36 5.427,37 3.059,38 3.854,39 4.106,40 2.439,41 2.877,42 5.039,43 2.716,44 3.483,45 3.826,46 1.701,47 2.329,48 4.55,49 2.088,50 2.342,51 2.652,52 0.485,53 1.375,54 3.296,55 1.095,56 0.083,57 0.425,58 4.144,59 1.686,60 9.675,61 2.237,62 0.383,63 0.632,64 9.744,65 2.487,66 16.61,67 3.569,68 0.226,69 0.699,70 8.274,71 3.632,72 27.306,73 4.415,74 0.691,75 0.711,76 14.746,77 3.502,78 96.965,79 4.377,80 0.368,81 0.55,82 10.27,83 3.101,84 49.234,85 3.869,86 0.322,87 0.427,88 11.323,89 3.644,90 51.729,91 5.044,92 0.239,93 0.245,94 9.869,95 2.629,96 45.661,97 4.232,98 0.047,99 0.08,100 2.532,101 0.819,102 12.769,103 1.315,104 28,105 25,106 0.348,107 0.7,108 0.795,109 0.84,110 0.84,111 0.84,112 2.856,113 0.815,114 -2.5,115 -2.53,116 -2.47,117 38.5,122 2,123 1,128 1,129 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 3,182 1,183 4,193 2,203 1,231 186,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.445,238 16.536,239 5.964,240 10.802,241 8.258,242 8.258,243 8.258,244 8.258,245 8.258,246 6.518,247 22.334,248 2.657,249 8.751,250 2.94,251 1.154,252 0.673,253 0.443,254 0.443,255 0.443,256 3.491,261 1,262 186,263 2.345,265 31.192,266 36.167,269 56.624,270 0.852,271 23.755,274 1,275 1,276 0.8,278 1,279 1,280 0.83,281 36,282 91,283 4.627,284 3.995,285 7.052,286 4.3,287 3.35,288 4.235,289 1.773,290 11.995,291 3.178,292 3.934,293 3.4,294 6.187,295 3.569,296 2.631,297 3.209,298 1.139,299 8.833,300 2.463,301 3.616,302 2.963,303 5.914,304 3.318,305 2.371,306 2.767,307 0.68,308 7.829,309 2.237,310 3.424,311 2.444,312 4.799,313 2.603,314 1.644,315 2.17,316 0.5,317 4.676,318 1.561,319 3.029,320 2.197,321 4.124,322 2.321,323 1.34,324 1.946,326 3.125,327 1.308,328 2.43,329 1.366,330 3.583,331 1.851,332 0.926,333 1.319,335 1.942,336 0.855,337 1.998,338 1.189,339 3.333,340 1.467,341 0.463,342 0.621,343 1.145,344 0.457,345 1.836,346 1.028,347 2.762,348 1.229,349 0.209,350 0.31,351 0.381,352 0.209,353 0.786,354 -0.108,355 2,356 0.398,357 -0.547,358 -0.651,359 -1.228,360 -0.511,361 0.693,362 -0.307,363 2,364 0.203,365 -0.817,366 -1.263,367 -1.454,368 -0.828,369 0.098,370 -0.536,371 1.836,372 -0.261,373 -1.194,374 -1.398,376 -3.085,377 -1.093,378 -0.059,379 -0.917,380 1.522,381 -0.413,382 -1.395,383 -1.782,385 -3.72,386 -1.367,387 -0.264,388 -1.025,389 1.387,390 -0.53,391 -1.514,392 -2,393 -0.4,394 -4.644,395 -1.503,396 -0.353,397 -1.309,398 1.302,399 -0.802,400 -1.734,401 -2.078,402 -0.406,403 -4.931,404 -1.619,405 -0.565,406 -1.641,407 1.221,408 -0.847,409 -1.78,410 -2.168,411 -0.852,412 -6.016,413 -1.672,414 7.267,415 0.454,416 0.511,417 0.032,418 21.25,419 1.328,420 9.5,421 0.594,422 11.75,423 0.734,424 9.686,425 0.605,426 17.333,427 0.667,428 15.322,429 0.958,430 4.51,431 0.282,432 3.064,433 0.192,434 0.298,436 0.44,437 0.741,438 1.96,439 0.649,440 1.366,441 0.564,442 1.041,443 0.697,444 0.624,445 0.637,446 0.408,447 0.568,448 0.452,449 0.837,450 1.539,451 0.767,452 1.476,453 1.007,454 1.18,455 1.522,456 0.847,457 1.173,458 0.794,459 1.464,460 0.868,461 1.382,462 0.952,463 1.437,464 1.144,465 1.079,466 1.266,467 1.038,468 0.904,469 1.309,470 1.187,471 1.171,472 1.328,473 0.629,474 0.531,475 0.799,476 0.686,477 0.894,478 0.792,479 0.257,480 0.97,481 1.219,482 1.457,483 0.797,484 1.578,485 3,487 2.667,488 2,489 1.672,490 0.479,491 0.136,492 0.041,495 1506,496 5474,497 1.923,498 38.5,500 8,501 1,502 1,507 1.562,508 1.714,509 2.525,510 -0.612,514 1,515 45.773,516 1.76,517 3.547,518 4.027,519 4.258,520 4.258,521 4.258,522 1.924,523 3.281,524 3.971,525 2.579,526 309.532,527 6.74,528 2622.01,530 1,533 122.211,534 1.546,535 3.873,536 0.176,538 0.107,539 0.071,540 0.067,541 0.032,542 0.019,543 0.014,546 0.486,547 0.67,548 1,549 1.274,550 61.833,551 -0.087,552 -0.75,553 0.067,554 -0.367,555 -0.053,556 -0.161,557 0.167,558 0.512,559 0.262,560 0.464,561 0.024,562 0.41,563 0.061,564 -0.414,565 0.011,566 -0.458,567 -0.092,568 -0.286,569 -0.122,570 0.113,571 -0.173,572 0.071,573 0.013,574 -0.031,575 -0.324,576 0.041,577 -0.514,578 -0.206,579 0.017,580 -0.362,581 -0.146,582 -0.12,583 -0.253,584 -0.151,585 -0.179,586 -0.231,587 0.131,588 0.078,589 0.449,590 0.347,591 -0.029,592 0.451,593 0.194,594 -0.251,595 -0.108,596 -0.414,597 -0.225,598 -0.36,599 2.117,600 4.967,601 0.563,602 8.125,603 1.027,604 1.141,605 1.271,606 1.615,607 0.662,608 2.89,609 3.258,610 3.611,611 3.892,612 4.025,613 4.043,614 3.951,615 3.807,616 3.401,617 2.565,618 3.586,619 0.658,620 218.24,621 2.89,622 4.443,623 5.333,624 6.248,625 7.16,626 8.081,627 8.999,628 9.921,629 10.841,630 11.763,631 15.4,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 26,649 8,651 17,652 27,653 10,654 3,657 1,659 2,660 3,662 1,669 2,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,702 1,703 1,711 1,713 2,715 16,719 1,723 2,725 1,726 1,727 1,729 7.7,732 2,735 9.333,736 5.55,737 3.611,738 1.35,739 1.367,740 1.228,741 0.942,742 2.448,743 7.351,744 3.199,745 3.72,746 4.282,747 4.815,748 5.069,749 5.27,750 5.394,751 5.468,752 5.438,753 4.808,754 0.75,755 28,756 5.889,758 2.512,759 8.229,760 10.623,762 8.29,764 2.729,765 43.667,766 0.001,769 117.711,770 81.934,771 24.933,773 50.29,775 81.934,776 168.001,777 24.933,778 16.793,779 8.354,781 92.17,782 1.899,783 61.483,784 94.169,786 117.711,787 106.867,788 50.29,790 117.711,791 50.29,793 18.872,794 54.179,795 33.816,797 117.711,798 75.223,799 81.934,801 117.711,802 16.171,803 33.559,804 17.031,805 90.397,806 117.711,807 75.223,808 81.934,809 0.589,810 0.382,811 0.216,812 0.112,813 13,814 7,815 0.037,816 1,817 1,818 1.222,819 2.615,820 112.461,821 0.222,822 9,823 64,825 10.717,826 3.655,827 1.427,829 73.324,830 1.492,831 4.002,833 0.739,834 1.574,836 274.868,837 23.5,840 23.75,842 -0.856,843 26.713,844 29.658,845 0.375,846 0.755,847 0.857,848 0.906,849 0.906,850 0.906,851 4.48,852 0.209,853 5.371,854 1.145,855 3.932,856 4.401,857 2.321,858 6.293,859 3.823,860 5.717,861 -0.547,862 7.015,863 0.381,864 3.761,865 4.35,866 1.404,867 7.427,868 3.603,869 7.052,870 -0.817,871 8.762,872 -1.228,873 5.631,874 6.544,875 2.889,876 10.599,877 5.404,878 8.422,879 -1.194,880 10.565,881 -1.454,882 6.275,883 7.348,884 2.673,885 12.515,886 6.003,887 9.823,888 -1.395,889 12.401,890 -3.085,891 7.674,892 9.038,893 3.735,894 15.235,895 7.338,896 11.247,897 -1.514,898 14.26,899 -3.72,900 8.648,901 10.211,902 3.9,903 17.468,904 8.268,905 12.689,906 -1.734,907 16.135,908 -4.644,909 9.899,910 11.733,911 4.729,912 20.038,913 9.461,914 3.35,915 -1.78,916 18.022,917 -4.931,918 11.008,919 13.063,920 5.093,921 22.41,922 10.523,923 2.631,924 11.995,925 19.919,926 -6.016,927 12.217,928 14.528,929 5.8,930 24.925,931 11.677,932 2.371,933 8.833,934 21.823,935 4.235,936 13.38,937 15.922,938 6.266,939 27.359,940 12.791,941 1.644,942 7.829,943 23.733,944 3.209,945 14.581,946 17.369,947 6.91,948 29.854,949 13.939,950 1.34,951 4.676,952 25.649,953 2.767,954 15.767,955 18.791,956 7.427,957 32.315,958 15.075,959 0.926,960 3.125,961 27.57,962 2.17,963 16.968,964 20.233,965 8.037,966 34.803,967 16.224,968 0.463,969 1.942,970 29.495,971 1.946,972 18.166,973 21.667,974 8.581,975 37.277,976 17.37,977 1644,978 3203,979 10.463,980 17.216,981 27.668,982 28.618,983 28.808,984 25.976,985 25.868,986 33.155,987 8.183,988 79.85,989 24.535,990 5.573,991 5.883,992 6.811,993 5.374,994 5.35,995 6.927,996 3.086,997 19.995,998 5.067,999 9.727,1000 1.628,1001 1.683,1002 1.695,1003 1.528,1004 1.522,1005 1.95,1006 0.481,1007 4.697,1008 1.443,1009 4.026,1010 4.078,1011 4.002,1012 3.81,1013 7.444,1014 3.853,1015 3.601,1016 3.66,1017 3.534,1018 3.423,1019 7.411,1020 3.435,1021 3.376,1022 3.449,1023 3.269,1024 3.148,1025 5.429,1026 3.173,1027 3.127,1028 3.168,1029 3.055,1030 2.879,1031 4.894,1032 2.91,1033 2.963,1034 3.064,1035 2.767,1036 2.714,1037 4.044,1038 2.705,1039 2.81,1040 2.817,1041 2.634,1042 2.489,1043 3.81,1044 2.533,1045 2.504,1046 2.603,1047 2.264,1048 2.26,1049 3.666,1050 2.246,1051 2.213,1052 2.287,1053 2.033,1054 1.986,1055 3.109,1056 1.99,1057 0.272,1058 0.235,1059 0.415,1060 0.253,1061 0.197,1062 4.627,1063 0.249,1064 3.995,1065 0.104,1066 7.052,1067 0.706,1068 4.3,1069 0.187,1070 3.35,1071 4.235,1072 1.773,1073 11.995,1074 3.178,1075 1.749,1076 1.709,1077 1.846,1078 1.985,1079 0.969,1080 1.942,1081 1.5,1082 1.431,1083 1.718,1084 1.776,1085 0.777,1086 1.759,1087 1.423,1088 1.361,1089 1.641,1090 1.608,1091 0.696,1092 1.622,1093 1.092,1094 1.015,1095 1.342,1096 1.349,1097 0.372,1098 1.355,1099 0.939,1100 0.881,1101 1.199,1102 1.217,1103 0.172,1104 1.213,1105 0.751,1106 0.688,1107 1.009,1108 1.049,1110 1.013,1111 0.526,1112 0.466,1113 0.733,1114 0.86,1116 0.852,1117 0.34,1118 0.283,1119 0.505,1120 0.693,1122 0.662,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.15,1130 6.843,1131 9.889,1132 3.256,1136 -0.035,1140 2.331,1142 5.126,1143 2.289,1144 17.096,1145 45.773,1146 92.211,1147 104.702,1148 110.702,1149 110.702,1150 110.702,1151 30.83,1152 5.984,1153 61.82,1154 61.82,1155 11,1156 12.271,1157 3.17,1158 2.907,1159 25.629,1160 37,1161 36,1162 0.408,1163 109.512,1164 191.68,1165 258.97,1166 2147,1168 11.87,1169 0.742,1170 0.56,1171 11.87,1172 8.967,1173 7.575,1174 0.446,1175 0.272,1176 4.489,1177 7.095,1178 4.321,1179 3.63,1180 7.575,1181 4.619,1182 6.826,1183 0.273,1184 0.139,1185 6.826,1186 3.465,1187 6.191,1188 0.172,1189 0.068,1190 6.191,1191 2.45,1192 5.187,1193 0.108,1194 0.034,1195 5.187,1196 1.627,1197 3.774,1198 0.069,1199 0.018,1200 3.774,1201 0.986,1202 0.581,1203 48.875,1204 0.309,1205 15.401,1206 1.316,1207 84,1208 314.052,1209 97.67,1210 299.335,1211 398.44,1212 276,1213 103,1214 289.245,1215 118.947,1216 292.681,1217 431.13,1218 270,1219 5.222} {0 CHEMBL282310,1 1.612,2 6.778,3 1.645,4 2.706,5 67.878,6 6.954,7 0.263,8 3.673,9 3.814,10 3.178,11 3.074,12 4.737,13 3.068,14 4.254,15 4.485,16 3.548,17 3.457,18 5.269,19 3.428,20 4.441,21 4.669,22 3.695,23 3.59,24 5.538,25 3.565,26 4.546,27 4.764,28 3.708,29 3.593,30 5.902,31 3.585,32 4.413,33 4.619,34 3.433,35 3.555,36 5.542,37 3.487,38 4.465,39 4.722,40 3.049,41 3.448,42 5.479,43 3.305,44 4.28,45 4.576,46 2.552,47 3.177,48 5.181,49 2.964,50 4.013,51 4.346,52 1.947,53 2.824,54 4.804,55 2.527,56 0.024,57 0.541,58 8.169,59 2.659,60 4.75,61 4.29,62 0.38,63 0.811,64 16.267,65 4.358,66 18.233,67 7.166,68 0.26,69 0.909,70 19.533,71 5.508,72 21.793,73 8.847,74 0.686,75 0.924,76 22.883,77 4.902,78 93.232,79 8.202,80 0.353,81 0.866,82 19.096,83 5.051,84 37.477,85 8.117,86 0.418,87 0.767,88 20.928,89 5.26,90 54.35,91 8.58,92 0.342,93 0.553,94 17.724,95 4.866,96 46.101,97 7.703,98 0.227,99 0.368,100 13.696,101 4.103,102 37.367,103 6.428,104 34,105 27,106 0.3,107 0.551,108 0.754,109 0.785,110 0.816,111 0.847,112 2.963,113 0.988,114 -3.16,115 -3.15,116 -3.03,117 33.3,118 2,119 2,122 1,123 2,134 1,138 1,140 1,141 1,142 1,150 2,152 6,153 2,161 3,162 2,170 5,171 4,182 1,183 8,193 5,203 2,210 1,212 1,219 2,229 1,231 320,232 12.052,233 12.052,234 12.052,235 12.052,236 12.052,237 11.282,238 17.751,239 7.097,240 12.379,241 9.234,242 9.234,243 9.234,244 9.234,245 9.234,246 7.832,247 22.25,248 3.119,249 9.741,250 3.558,251 2.208,252 1.118,253 0.952,254 0.785,255 0.618,256 3.608,261 1,262 245,263 2.739,265 35.102,266 42.786,269 65.811,270 1.025,271 22.919,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 40,282 122,283 4.636,284 3.983,285 7.07,286 4.308,287 3.359,288 4.247,289 1.761,290 12.111,291 3.183,292 3.932,293 3.41,294 6.211,295 3.591,296 2.653,297 3.204,298 1.083,299 8.952,300 2.484,301 3.611,302 2.969,303 5.925,304 3.341,305 2.395,306 2.781,307 0.526,308 7.885,309 2.256,310 3.125,311 2.372,312 5.026,313 2.775,314 1.806,315 2.252,316 0.064,317 5.392,318 1.736,319 2.547,320 1.663,321 4.091,322 2.334,323 1.355,324 1.548,326 3.101,327 1.321,328 2.315,329 1.618,330 3.8,331 2.021,332 1.054,333 1.231,335 2.163,336 1.016,337 2.114,338 1.094,339 3.214,340 1.859,341 0.911,342 1.068,343 1.762,344 0.859,345 1.813,346 1.031,347 3.088,348 1.395,349 0.387,350 0.498,351 0.834,352 0.384,353 1.585,354 0.753,355 2.762,356 1.26,357 0.242,358 0.297,359 0.469,360 0.242,361 0.799,362 -0.085,363 2,364 0.602,365 -0.367,366 -0.406,367 -0.62,368 -0.353,369 0.376,370 -0.351,371 2,372 0.221,373 -0.76,374 -0.828,376 -1.331,377 -0.738,378 0.193,379 -0.588,380 1.858,381 -0.092,382 -1.11,383 -1.289,385 -2.467,386 -1.108,387 -0.048,388 -0.835,389 1.669,390 -0.369,391 -1.315,392 -1.559,394 -3.278,395 -1.254,396 -0.153,397 -1.05,398 1.515,399 -0.471,400 -1.448,401 -1.765,403 -4.21,404 -1.371,405 -0.223,406 -1.397,407 1.29,408 -0.555,409 -1.522,410 -1.907,412 -4.426,413 -1.529,414 8.267,415 0.459,416 0.473,417 0.026,418 20.25,419 1.125,420 7.5,421 0.417,422 12.75,423 0.708,424 15.028,425 0.835,426 21.133,427 0.587,428 14.153,429 0.786,430 3.751,431 0.208,432 4.862,433 0.27,434 0.262,436 0.387,437 0.701,438 2.04,439 0.817,440 1.518,441 0.513,442 1.225,443 0.597,444 0.938,445 0.751,446 0.816,447 0.499,448 0.798,449 0.761,450 1.25,451 0.671,452 1.079,453 0.779,454 0.881,455 1.476,456 0.912,457 1.065,458 0.773,459 1.503,460 0.824,461 1.344,462 1.244,463 1.36,464 1.261,465 1.219,466 1.296,467 1.418,468 0.989,469 1.438,470 1.144,471 1.35,472 1.271,473 1.149,474 0.793,475 1.213,476 1.027,477 1.202,478 1.131,479 0.758,480 0.764,481 0.922,482 0.996,483 0.998,484 1.022,485 3,487 2.667,488 1.875,489 1.797,490 0.834,491 0.319,492 0.09,493 0.025,495 2112,496 5540,497 1.931,498 50,499 6,500 7,502 1,505 4,507 1.597,508 1.742,509 2.735,510 -0.654,512 1,513 1,514 1,515 58.039,516 1.612,517 2.962,518 4.051,519 4.218,520 4.385,521 4.551,522 2.241,523 4.17,524 4.135,525 2.81,526 429.881,527 7.075,528 3933.6,530 1,532 1,533 186.117,534 1.572,535 4.056,536 0.158,538 0.099,539 0.06,540 0.06,541 0.038,542 0.025,543 0.013,544 0.008,546 0.461,547 0.5,548 1,549 1.449,550 73.794,551 -0.02,552 -0.652,553 0.072,554 -0.296,555 -0.015,556 -0.126,557 0.26,558 0.231,559 0.21,560 0.178,561 0.08,562 0.179,563 0.148,564 -0.17,565 0.289,566 -0.044,567 0.077,568 0.127,569 -0.003,570 0.134,571 -0.014,572 0.132,573 0.079,574 0.071,575 -0.254,576 -0.096,577 -0.392,578 -0.244,579 -0.144,580 -0.326,581 -0.335,582 -0.016,583 -0.458,584 -0.204,585 -0.222,586 -0.331,587 -0.184,588 0.026,589 -0.243,590 -0.087,591 -0.132,592 -0.166,593 0.023,594 -0.087,595 0.027,596 -0.043,597 -0.044,598 -0.021,599 1.962,600 5.151,601 0.5,602 11.531,603 1.007,604 1.148,605 1.929,606 3.723,607 0.618,608 2.996,609 3.332,610 3.689,611 3.989,612 4.174,613 4.263,614 4.22,615 4.111,616 3.807,617 3.296,618 4.058,619 0.589,620 250.34,621 2.996,622 4.533,623 5.416,624 6.326,625 7.239,626 8.161,627 9.082,628 10.007,629 10.93,630 11.856,631 11.1,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 36,649 7,651 19,652 37,653 12,654 3,657 1,659 2,660 3,662 1,663 2,668 2,670 5,671 7,673 2,676 2,678 2,680 1,681 18,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 18,719 4,723 2,729 5.6,732 2,735 10.333,736 7.467,737 4.194,738 2.542,739 1.193,740 1.191,741 0.927,742 3.712,743 7.423,744 3.199,745 3.72,746 4.309,747 4.854,748 5.133,749 5.429,750 5.542,751 5.568,752 5.455,753 4.922,754 0.8,755 31,756 6.702,758 2.806,759 7.926,760 12.647,762 10.022,764 2.426,765 43.667,766 0.001,769 211.88,770 58.011,771 24.933,773 50.29,775 58.011,776 262.17,777 24.933,778 26.047,779 15.529,781 92.17,782 1.899,783 9.36,784 200.109,786 211.88,787 82.944,788 50.29,790 164.795,791 97.374,793 43.697,794 22.462,795 16.786,797 211.88,798 75.223,799 58.011,801 211.88,802 23.346,803 42.813,805 67.075,806 211.88,807 75.223,808 58.011,809 0.571,810 0.368,811 0.217,812 0.122,813 13,814 7,815 0.108,816 4,817 1,818 1.222,819 2.814,820 131.348,821 0.222,822 9,823 75.059,825 13.09,826 5.105,827 2.066,829 73.324,830 1.64,831 4.231,833 1.019,834 1.823,836 345.114,837 23.5,840 24.188,842 -0.565,843 36.247,844 41.318,845 0.312,846 0.573,847 0.784,848 0.816,849 0.848,850 0.88,851 4.457,852 0.387,853 5.434,854 1.762,855 4.007,856 4.401,857 2.197,858 6.347,859 3.903,860 5.656,861 0.242,862 7.066,863 0.834,864 3.761,865 4.35,866 1.404,867 7.469,868 3.603,869 6.982,870 -0.367,871 8.805,872 0.469,873 5.687,874 6.538,875 2.804,876 10.65,877 5.462,878 8.352,879 -0.76,880 10.603,881 -0.62,882 6.293,883 7.362,884 2.647,885 12.573,886 6.019,887 9.761,888 -1.11,889 12.437,890 -1.331,891 7.716,892 9.046,893 3.665,894 15.296,895 7.377,896 11.196,897 -1.315,898 14.295,899 -2.467,900 8.675,901 10.231,902 3.851,903 17.541,904 8.289,905 12.65,906 -1.448,907 16.17,908 -3.278,909 9.936,910 11.751,911 4.661,912 20.115,913 9.491,914 3.359,915 -1.522,916 18.057,917 -4.21,918 11.039,919 13.087,920 5.029,921 22.499,922 10.545,923 2.653,924 12.111,925 19.954,926 -4.426,927 12.253,928 14.553,929 5.726,930 25.021,931 11.703,932 2.395,933 8.952,934 21.859,935 4.247,936 13.416,937 15.952,938 6.188,939 27.466,940 12.815,941 1.806,942 7.885,943 23.771,944 3.204,945 14.619,946 17.402,947 6.825,948 29.969,949 13.965,950 1.355,951 5.392,952 25.688,953 2.781,954 15.807,955 18.827,956 7.336,957 32.441,958 15.101,959 1.054,960 3.101,961 27.61,962 2.252,963 17.01,964 20.272,965 7.94,966 34.937,967 16.251,968 0.911,969 2.163,970 29.537,971 1.548,972 18.209,973 21.709,974 8.477,975 37.421,976 17.397,977 2293,978 3838,979 11.849,980 22.262,981 29.093,982 30.586,983 31.376,984 28.43,985 28.323,986 34.252,987 6.869,988 85.336,989 26.963,990 5.586,991 5.876,992 6.836,993 5.381,994 5.359,995 6.946,996 3.071,997 20.111,998 5.071,999 10.892,1000 1.531,1001 1.61,1002 1.651,1003 1.496,1004 1.491,1005 1.803,1006 0.362,1007 4.491,1008 1.419,1009 4.04,1010 4.093,1011 4.013,1012 3.831,1013 7.444,1014 3.87,1015 3.655,1016 3.727,1017 3.541,1018 3.466,1019 7.411,1020 3.462,1021 3.528,1022 3.602,1023 3.359,1024 3.351,1025 4.881,1026 3.338,1027 3.409,1028 3.49,1029 3.249,1030 3.162,1031 4.156,1032 3.186,1033 3.093,1034 3.172,1035 2.985,1036 2.809,1037 4.081,1038 2.831,1039 2.887,1040 2.934,1041 2.696,1042 2.615,1043 3.996,1044 2.63,1045 2.78,1046 2.89,1047 2.541,1048 2.516,1049 3.619,1050 2.499,1051 2.716,1052 2.775,1053 2.44,1054 2.413,1055 3.459,1056 2.419,1057 0.244,1058 0.21,1059 0.372,1060 0.227,1061 0.177,1062 4.636,1063 0.224,1064 3.983,1065 0.093,1066 7.07,1067 0.637,1068 4.308,1069 0.168,1070 3.359,1071 4.247,1072 1.761,1073 12.111,1074 3.183,1075 1.78,1076 1.732,1077 1.955,1078 2.007,1079 1.21,1080 1.98,1081 1.661,1082 1.587,1083 1.923,1084 1.882,1085 1.172,1086 1.893,1087 1.515,1088 1.448,1089 1.738,1090 1.742,1091 0.834,1092 1.758,1093 1.268,1094 1.183,1095 1.524,1096 1.54,1097 0.637,1098 1.542,1099 1.181,1100 1.093,1101 1.462,1102 1.44,1103 0.558,1104 1.46,1105 0.925,1106 0.855,1107 1.246,1108 1.214,1109 0.356,1110 1.219,1111 0.759,1112 0.66,1113 1.151,1114 1.075,1115 0.203,1116 1.103,1117 0.637,1118 0.583,1119 0.826,1120 0.987,1122 0.943,1123 3.664,1125 4.99,1126 2.398,1127 6.541,1128 4.727,1129 8.209,1130 6.862,1131 9.944,1132 5.546,1136 3.054,1140 2.731,1144 21.203,1145 58.039,1146 106.63,1147 145.853,1148 151.853,1149 157.853,1150 163.853,1151 36.958,1152 6.23,1153 61.82,1154 61.82,1155 11,1156 12.361,1157 3,1158 2.459,1159 30.614,1160 44,1161 49,1162 0.382,1163 134.552,1164 231.56,1165 320.066,1166 2978,1168 13.284,1169 0.738,1170 0.612,1171 13.284,1172 11.011,1173 8.613,1174 0.453,1175 0.329,1176 6.134,1177 8.14,1178 5.923,1179 5.021,1180 8.613,1181 6.26,1182 7.397,1183 0.274,1184 0.163,1185 7.397,1186 4.409,1187 6.682,1188 0.171,1189 0.077,1190 6.682,1191 3.011,1192 5.587,1193 0.105,1194 0.04,1195 5.587,1196 2.141,1197 4.279,1198 0.067,1199 0.022,1200 4.279,1201 1.4,1202 0.552,1203 55.019,1204 0.291,1205 17.371,1206 1.197,1207 92,1208 302.052,1209 106.003,1210 284.183,1211 385.18,1212 264,1213 112,1214 286.597,1215 128.28,1216 285.893,1217 427.67,1218 267,1219 4.359} {0 CHEMBL283412,1 1.649,2 6.118,3 1.121,4 1.258,5 63.354,6 7.161,7 0.278,8 3.597,9 3.736,10 3.129,11 2.989,12 4.69,13 2.995,14 4.171,15 4.399,16 3.508,17 3.369,18 5.221,19 3.356,20 4.337,21 4.553,22 3.656,23 3.508,24 5.487,25 3.502,26 4.449,27 4.647,28 3.654,29 3.512,30 5.869,31 3.514,32 4.339,33 4.555,34 3.314,35 3.429,36 5.491,37 3.363,38 4.319,39 4.573,40 2.828,41 3.294,42 5.343,43 3.144,44 4.123,45 4.431,46 2.215,47 3.004,48 4.987,49 2.735,50 3.838,51 4.22,52 1.317,53 2.428,54 4.554,55 2.069,56 0.038,57 0.501,58 7.251,59 2.317,60 4.993,61 3.779,62 0.385,63 0.748,64 14.771,65 3.775,66 17.621,67 6.293,68 0.278,69 0.835,70 17.289,71 4.826,72 21.412,73 7.688,74 0.657,75 0.847,76 20.27,77 4.439,78 91.718,79 7.231,80 0.392,81 0.765,82 17.72,83 4.35,84 39.147,85 7.114,86 0.441,87 0.642,88 18.211,89 4.522,90 55.932,91 7.222,92 0.25,93 0.447,94 15.222,95 4.615,96 36.444,97 7.234,98 0.288,99 0.239,100 12.623,101 3.088,102 43.977,103 5.178,104 31,105 26,106 0.313,107 0.575,108 0.784,109 0.841,110 0.841,111 0.841,112 2.911,113 0.96,114 -2.88,115 -2.89,116 -2.79,117 33.3,118 2,119 1,122 1,123 2,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 2,161 3,162 1,170 5,171 4,182 1,183 7,193 2,203 2,210 1,219 1,231 246,232 11.345,233 11.345,234 11.345,235 11.345,236 11.345,237 10.575,238 17.751,239 6.487,240 11.708,241 8.696,242 8.696,243 8.696,244 8.696,245 8.696,246 7.271,247 22.25,248 2.815,249 9.212,250 3.396,251 2.018,252 0.917,253 0.614,254 0.614,255 0.614,256 3.552,261 1,262 209,263 2.55,265 32.319,266 39.455,269 60.616,270 0.858,271 22.373,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 38,282 104,283 4.636,284 3.983,285 7.069,286 4.307,287 3.358,288 4.247,289 1.761,290 12.105,291 3.183,292 3.929,293 3.41,294 6.209,295 3.585,296 2.646,297 3.202,298 1.083,299 8.928,300 2.479,301 3.611,302 2.966,303 5.925,304 3.341,305 2.395,306 2.781,307 0.526,308 7.885,309 2.256,310 3.103,311 2.353,312 5.001,313 2.715,314 1.751,315 2.232,316 0.064,317 5.236,318 1.673,319 2.532,320 1.663,321 4.091,322 2.322,323 1.346,324 1.534,326 3.091,327 1.309,328 2.315,329 1.575,330 3.786,331 1.904,332 0.972,333 1.223,335 2.162,336 0.903,337 1.815,338 1.035,339 3.107,340 1.468,341 0.476,342 0.541,343 0.846,344 0.466,345 1.698,346 0.906,347 2.984,348 1.389,349 0.386,350 0.497,351 0.811,352 0.382,353 1.42,354 0.397,355 2.48,356 1.138,357 0.131,358 0.16,359 0.219,360 0.13,361 0.509,362 -0.312,363 2,364 0.307,365 -0.674,366 -0.734,367 -1.205,368 -0.654,369 0.263,370 -0.419,371 2,372 0.004,373 -1,374 -1.162,376 -2.177,377 -0.982,379 -0.808,380 1.775,381 -0.338,382 -1.295,383 -1.541,385 -3.228,386 -1.253,387 -0.13,388 -0.941,389 1.524,390 -0.469,391 -1.423,392 -1.717,394 -4.001,395 -1.316,396 -0.221,397 -1.274,398 1.291,399 -0.508,400 -1.494,401 -1.904,403 -4.412,404 -1.519,405 -0.564,406 -1.557,407 1.198,408 -0.846,409 -1.783,410 -2,411 -0.4,412 -5.339,413 -1.669,414 7.767,415 0.457,416 0.473,417 0.028,418 19.75,419 1.162,420 7.5,421 0.441,422 12.25,423 0.721,424 13.398,425 0.788,426 19.833,427 0.601,428 13.725,429 0.807,430 3.772,431 0.222,432 4.34,433 0.255,434 0.279,436 0.412,437 0.706,438 2.077,439 0.784,440 1.522,441 0.516,442 1.207,443 0.605,444 0.896,445 0.71,446 0.746,447 0.504,448 0.73,449 0.804,450 1.213,451 0.665,452 1.049,453 0.807,454 0.848,455 1.466,456 1.035,457 1.129,458 0.915,459 1.553,460 0.946,461 1.367,462 1.157,463 1.375,464 1.202,465 1.204,466 1.265,467 1.503,468 0.86,469 1.531,470 1.089,471 1.46,472 1.286,473 0.731,474 0.949,475 1.091,476 1.259,477 0.842,478 1.273,479 0.841,480 0.371,481 0.706,482 0.504,483 1.113,484 0.599,485 3,487 2.667,488 1.875,489 1.797,490 0.698,491 0.258,492 0.031,495 1765,496 4937,497 1.928,498 48.5,499 3,500 7,502 1,505 5,507 1.581,508 1.729,509 2.615,510 -0.634,512 1,514 1,515 54.411,516 1.649,517 3.026,518 4.127,519 4.43,520 4.43,521 4.43,522 2.116,523 3.572,524 4.056,525 2.668,526 362.882,527 6.918,528 3202.87,530 1,533 166.465,534 1.566,535 3.968,536 0.167,538 0.103,539 0.063,540 0.064,541 0.037,542 0.026,543 0.008,546 0.466,547 0.67,548 1,549 1.363,550 67.593,551 -0.032,552 -0.703,553 0.073,554 -0.323,555 -0.023,556 -0.137,557 0.25,558 0.265,559 0.241,560 0.228,561 0.077,562 0.228,563 0.116,564 -0.117,565 0.284,566 -0.014,567 0.063,568 0.151,569 -0.022,570 0.028,571 -0.103,572 0.013,573 0.047,574 -0.051,575 -0.281,576 -0.062,577 -0.414,578 -0.231,579 -0.133,580 -0.327,581 -0.4,582 0.086,583 -0.552,584 -0.155,585 -0.281,586 -0.353,587 -0.001,588 -0.18,589 -0.148,590 -0.264,591 -0.027,592 -0.246,593 0.047,594 0.114,595 0.326,596 0.34,597 -0.056,598 0.375,599 1.967,600 5.035,601 0.529,602 9.73,603 1.011,604 1.149,605 1.648,606 2.717,607 0.621,608 2.944,609 3.296,610 3.664,611 3.951,612 4.127,613 4.19,614 4.111,615 3.97,616 3.555,617 2.944,618 3.772,619 0.596,620 236.31,621 2.944,622 4.489,623 5.38,624 6.293,625 7.21,626 8.132,627 9.055,628 9.979,629 10.903,630 11.828,631 12.1,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 33,649 7,651 18,652 34,653 11,654 3,657 1,659 2,660 3,662 1,663 2,668 1,670 5,671 6,673 2,676 2,678 2,680 1,681 16,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 17,719 3,723 2,729 6.1,732 2,735 9.833,736 6.967,737 3.944,738 2.292,739 1.192,740 1.195,741 0.93,742 3.201,743 7.306,744 3.157,745 3.695,746 4.296,747 4.831,748 5.097,749 5.368,750 5.456,751 5.467,752 5.275,753 4.69,754 1,755 30,756 6.319,758 2.659,759 7.98,760 11.831,762 9.356,764 2.48,765 42.167,766 0.001,769 188.338,770 55.476,771 24.933,773 50.29,775 55.476,776 238.627,777 24.933,778 26.047,779 12.995,781 92.17,782 1.899,783 9.36,784 176.567,786 188.338,787 80.41,788 50.29,790 129.482,791 109.145,793 41.163,794 22.462,795 16.786,797 188.338,798 75.223,799 55.476,801 188.338,802 20.811,803 42.813,805 67.075,806 188.338,807 75.223,808 55.476,809 0.579,810 0.382,811 0.219,812 0.12,813 13,814 7,815 0.088,816 3,817 1,818 1.222,819 2.703,820 122.339,821 0.222,822 9,823 69.487,825 12.115,826 4.492,827 1.745,829 73.324,830 1.609,831 4.183,833 0.991,834 1.767,836 319.037,837 22.5,840 24.003,842 -0.581,843 33.363,844 37.903,845 0.327,846 0.6,847 0.818,848 0.878,849 0.878,850 0.878,851 4.422,852 0.386,853 5.407,854 0.846,855 3.97,856 4.376,857 2.197,858 6.33,859 3.862,860 5.631,861 0.131,862 7.048,863 0.811,864 3.761,865 4.35,866 1.404,867 7.469,868 3.603,869 6.964,870 -0.674,871 8.793,872 0.219,873 5.666,874 6.529,875 2.804,876 10.641,877 5.437,878 8.34,879 -1,880 10.595,881 -1.205,882 6.293,883 7.362,884 2.647,885 12.569,886 6.019,887 9.752,888 -1.295,889 12.432,890 -2.177,891 7.705,892 9.042,893 3.665,894 15.29,895 7.364,896 11.189,897 -1.423,898 14.291,899 -3.228,900 8.672,901 10.23,902 3.851,903 17.536,904 8.287,905 12.645,906 -1.494,907 16.166,908 -4.001,909 9.929,910 11.749,911 4.661,912 20.11,913 9.483,914 3.358,915 -1.783,916 18.054,917 -4.412,918 11.036,919 13.085,920 5.029,921 22.494,922 10.542,923 2.646,924 12.105,925 19.951,926 -5.339,927 12.248,928 14.551,929 5.726,930 25.016,931 11.698,932 2.395,933 8.928,934 21.856,935 4.247,936 13.412,937 15.95,938 6.188,939 27.46,940 12.812,941 1.751,942 7.885,943 23.768,944 3.202,945 14.614,946 17.4,947 6.825,948 29.963,949 13.96,950 1.346,951 5.236,952 25.686,953 2.781,954 15.802,955 18.825,956 7.336,957 32.435,958 15.097,959 0.972,960 3.091,961 27.608,962 2.232,963 17.005,964 20.27,965 7.94,966 34.931,967 16.247,968 0.476,969 2.162,970 29.535,971 1.534,972 18.205,973 21.706,974 8.477,975 37.414,976 17.394,977 1928,978 3333,979 11.156,980 20.5,981 27.616,982 29.027,983 30.121,984 27.039,985 26.925,986 32.834,987 6.869,988 82.566,989 25.559,990 5.585,991 5.874,992 6.828,993 5.38,994 5.358,995 6.944,996 3.071,997 20.105,998 5.071,999 10.339,1000 1.534,1001 1.613,1002 1.673,1003 1.502,1004 1.496,1005 1.824,1006 0.382,1007 4.587,1008 1.42,1009 4.037,1010 4.09,1011 4.011,1012 3.825,1013 7.444,1014 3.866,1015 3.635,1016 3.71,1017 3.525,1018 3.444,1019 7.411,1020 3.44,1021 3.505,1022 3.578,1023 3.356,1024 3.273,1025 4.883,1026 3.287,1027 3.284,1028 3.378,1029 3.085,1030 3.069,1031 4.154,1032 3.066,1033 3.077,1034 3.148,1035 2.975,1036 2.791,1037 4.004,1038 2.818,1039 2.875,1040 2.924,1041 2.674,1042 2.594,1043 3.995,1044 2.611,1045 2.718,1046 2.776,1047 2.476,1048 2.413,1049 3.572,1050 2.421,1051 2.437,1052 2.565,1053 2.188,1054 2.143,1055 3.28,1056 2.14,1057 0.258,1058 0.221,1059 0.393,1060 0.239,1061 0.187,1062 4.636,1063 0.236,1064 3.983,1065 0.098,1066 7.069,1067 0.673,1068 4.307,1069 0.177,1070 3.358,1071 4.247,1072 1.761,1073 12.105,1074 3.183,1075 1.771,1076 1.724,1077 1.94,1078 2.003,1079 1.186,1080 1.972,1081 1.622,1082 1.546,1083 1.878,1084 1.854,1085 1.071,1086 1.863,1087 1.487,1088 1.415,1089 1.723,1090 1.729,1091 0.801,1092 1.742,1093 1.19,1094 1.103,1095 1.468,1096 1.46,1097 0.58,1098 1.466,1099 1.104,1100 1.019,1101 1.375,1102 1.367,1103 0.459,1104 1.39,1105 0.924,1106 0.851,1107 1.246,1108 1.214,1109 0.289,1110 1.219,1111 0.655,1112 0.6,1113 0.924,1114 1.008,1115 0.019,1116 0.967,1117 0.497,1118 0.45,1119 0.812,1120 0.876,1122 0.848,1123 3.611,1125 4.949,1126 2.398,1127 6.512,1128 4.727,1129 8.188,1130 6.862,1131 9.927,1132 5.43,1136 2.062,1140 2.703,1144 19.676,1145 54.411,1146 99.862,1147 136.2,1148 146.2,1149 146.2,1150 146.2,1151 33.277,1152 6.114,1153 61.82,1154 61.82,1155 11,1156 12.334,1157 3,1158 2.459,1159 28.033,1160 40,1161 40,1162 0.4,1163 124.959,1164 214.26,1165 296.661,1166 2531,1168 12.577,1169 0.74,1170 0.606,1171 12.577,1172 10.304,1173 8.113,1174 0.451,1175 0.32,1176 5.634,1177 7.632,1178 5.436,1179 4.589,1180 8.113,1181 5.76,1182 7.017,1183 0.27,1184 0.154,1185 7.017,1186 4.001,1187 6.547,1188 0.172,1189 0.076,1190 6.547,1191 2.887,1192 5.355,1193 0.105,1194 0.039,1195 5.355,1196 1.97,1197 4.091,1198 0.067,1199 0.021,1200 4.091,1201 1.283,1202 0.572,1203 52.019,1204 0.299,1205 16.336,1206 1.281,1207 88,1208 298.052,1209 102.003,1210 279.895,1211 379.36,1212 260,1213 108,1214 282.597,1215 124.114,1216 281.436,1217 421.23,1218 263,1219 4.668} {0 CHEMBL284860,1 1.578,2 7.15,3 2.262,4 5.116,5 77.041,6 6.909,7 0.238,8 3.767,9 3.907,10 3.265,11 3.195,12 4.845,13 3.18,14 4.334,15 4.556,16 3.619,17 3.563,18 5.349,19 3.523,20 4.549,21 4.785,22 3.777,23 3.7,24 5.598,25 3.666,26 4.646,27 4.865,28 3.863,29 3.731,30 5.984,31 3.729,32 4.57,33 4.756,34 3.678,35 3.725,36 5.815,37 3.685,38 4.632,39 4.862,40 3.381,41 3.686,42 5.733,43 3.576,44 4.53,45 4.805,46 3.013,47 3.564,48 5.439,49 3.373,50 4.413,51 4.738,52 2.457,53 3.328,54 5.233,55 3.039,56 0.012,57 0.6,58 9.02,59 3.086,60 6.733,61 4.843,62 0.359,63 0.907,64 17.471,65 4.95,66 19.621,67 8.004,68 0.258,69 1.033,70 21.866,71 6.232,72 24.994,73 9.984,74 0.649,75 1.077,76 25.093,77 5.686,78 90.112,79 9.357,80 0.406,81 1.04,82 22.516,83 5.857,84 56.337,85 9.106,86 0.486,87 0.999,88 24.592,89 6.387,90 75.956,91 9.991,92 0.322,93 0.854,94 22.001,95 6.833,96 46.865,97 10.524,98 0.242,99 0.662,100 19.889,101 6.579,102 51.295,103 10.157,104 44,105 29,106 0.285,107 0.591,108 0.773,109 0.782,110 0.81,111 0.837,112 3.06,113 0.992,114 -3.61,115 -3.58,116 -3.41,117 35,118 2,119 2,123 3,126 1,127 1,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 3,161 3,162 3,170 5,171 7,182 1,183 12,193 7,201 1,203 3,210 4,212 1,219 5,229 2,231 434,232 13.629,233 13.629,234 13.629,235 13.629,236 13.629,237 12.729,238 21.757,239 8.244,240 13.957,241 10.22,242 10.22,243 10.22,244 10.22,245 10.22,246 8.636,247 31.687,248 3.581,249 10.751,250 3.744,251 2.05,252 1.038,253 0.988,254 0.838,255 0.688,256 3.711,260 1,261 1,262 286,263 3.082,265 41.524,266 49.294,269 76.505,270 0.895,271 25.678,272 1,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 44,282 143,283 4.642,284 3.995,285 7.09,286 4.318,287 3.37,288 4.25,289 1.761,290 12.216,291 3.193,292 3.954,293 3.412,294 6.246,295 3.614,296 2.676,297 3.228,298 1.083,299 9.113,300 2.503,301 3.631,302 2.991,303 6.001,304 3.38,305 2.437,306 2.796,307 0.526,308 8.269,309 2.291,310 3.159,311 2.43,312 5.026,313 2.783,314 1.812,315 2.288,316 0.522,317 5.398,318 1.745,319 2.675,320 1.933,321 4.199,322 2.371,323 1.4,324 1.649,325 0.064,326 3.334,327 1.354,328 2.536,329 1.727,330 3.824,331 2.277,332 1.275,333 1.419,335 2.479,336 1.271,337 2.389,338 1.271,339 3.451,340 2.011,341 1.039,342 1.333,343 1.936,344 1.008,345 2.248,346 1.042,347 3.196,348 1.787,349 0.84,350 1.109,351 1.681,352 0.791,353 1.651,354 0.94,355 2.902,356 1.369,357 0.366,358 0.447,359 0.715,360 0.362,361 1.549,362 0.781,363 2.689,364 1.214,365 0.195,366 0.235,367 0.344,368 0.195,369 1.059,370 -0.081,371 2,372 0.604,373 -0.362,374 -0.467,376 -0.609,377 -0.347,378 0.445,379 -0.303,380 2,381 0.221,382 -0.758,383 -0.831,385 -1.313,386 -0.735,387 0.379,388 -0.454,389 1.879,390 0.203,391 -0.813,392 -0.959,394 -1.416,395 -0.816,396 0.137,397 -0.815,398 1.68,399 -0.118,400 -1.115,401 -1.467,403 -2.49,404 -1.111,405 -0.032,406 -0.857,407 1.651,408 -0.462,409 -1.442,410 -1.842,412 -4.196,413 -1.37,414 9.267,415 0.463,416 0.435,417 0.022,418 22.25,419 1.113,420 8.5,421 0.425,422 13.75,423 0.688,424 17.174,425 0.859,426 23.133,427 0.578,428 16.536,429 0.827,430 4.261,431 0.213,432 5.389,433 0.269,434 0.234,436 0.345,437 0.698,438 1.919,439 0.832,440 1.449,441 0.55,442 1.198,443 0.597,444 1.049,445 0.808,446 0.928,447 0.526,448 0.896,449 0.785,450 1.188,451 0.671,452 1.002,453 0.804,454 0.835,455 1.441,456 0.909,457 0.956,458 0.749,459 1.421,460 0.752,461 1.76,462 1.232,463 1.381,464 1.178,465 1.722,466 1.205,467 1.77,468 0.992,469 1.505,470 1.074,471 1.718,472 1.223,473 1.008,474 0.93,475 1.248,476 1.145,477 0.941,478 1.23,479 0.579,480 0.871,481 0.995,482 1.115,483 0.691,484 1.143,485 3,487 2.667,488 2.125,489 1.997,490 0.924,491 0.456,492 0.194,493 0.049,495 2814,496 7311,497 1.938,498 50,499 6,500 9,502 1,505 4,507 1.63,508 1.765,509 2.816,510 -0.689,512 1,514 1,515 63.136,516 1.578,517 3.272,518 4.284,519 4.334,520 4.484,521 4.634,522 2.121,523 4.022,524 4.285,525 2.911,526 553.126,527 7.388,528 5519.02,529 1,530 1,532 1,533 212.877,534 1.559,535 4.219,536 0.143,538 0.092,539 0.063,540 0.055,541 0.032,542 0.023,543 0.015,544 0.008,546 0.431,547 0.5,548 1,549 1.537,550 85.768,551 -0.009,552 -0.568,553 0.067,554 -0.255,555 -0.027,556 -0.11,557 0.277,558 0.127,559 0.156,560 0.071,561 0.062,562 0.082,563 0.153,564 -0.131,565 0.302,566 0.002,567 0.044,568 0.156,569 0.064,570 0.152,571 0.101,572 0.159,573 0.124,574 0.148,575 -0.327,576 -0.094,577 -0.363,578 -0.184,579 -0.181,580 -0.264,581 -0.436,582 0.027,583 -0.494,584 -0.123,585 -0.267,586 -0.292,587 -0.172,589 -0.302,590 -0.15,591 -0.082,592 -0.235,593 0.028,594 -0.093,595 -0.071,596 -0.128,597 0.006,598 -0.123,599 1.935,600 5.507,601 0.45,602 14.07,603 1.003,604 1.143,605 2.379,606 5.659,607 0.626,608 3.091,609 3.401,610 3.761,611 4.094,612 4.29,613 4.407,614 4.431,615 4.369,616 4.111,617 3.689,618 4.381,619 0.593,620 276.38,621 3.091,622 4.615,623 5.493,624 6.402,625 7.314,626 8.237,627 9.16,628 10.087,629 11.013,630 11.942,631 10,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 40,649 8,651 21,652 41,653 14,654 3,657 1,659 2,660 3,662 1,663 2,668 2,670 7,671 7,673 3,674 1,676 2,677 1,678 2,679 1,680 1,681 20,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,707 1,708 1,711 1,713 2,715 20,719 5,723 2,729 5,732 2,735 11.333,736 7.8,737 4.778,738 2.775,739 1.269,740 1.197,741 0.928,742 4.605,743 7.703,744 3.314,745 3.79,746 4.362,747 4.937,748 5.228,749 5.553,750 5.723,751 5.815,752 5.797,753 5.4,754 0.8,755 34,756 7.449,758 3.103,759 7.908,760 14.041,762 11.085,764 2.408,765 48.167,766 0.001,769 235.422,770 76.963,771 24.933,773 50.29,775 76.963,776 285.712,777 24.933,778 17.65,779 33.402,780 9.476,781 92.17,782 1.899,783 9.36,784 223.651,786 235.422,787 101.897,788 50.29,790 188.338,791 97.374,793 45.803,794 29.832,795 26.262,797 235.422,798 75.223,799 76.963,801 235.422,802 25.451,803 43.893,805 82.842,806 235.422,807 75.223,808 76.963,809 0.554,810 0.357,811 0.226,812 0.131,813 13,814 7,815 0.146,816 6,817 1,818 1.222,819 2.99,820 151.661,821 0.222,822 9,823 86.439,825 14.792,826 6.227,827 2.534,829 73.324,830 1.593,831 4.244,833 0.947,834 1.739,836 387.609,837 26.5,838 3.681,840 24.914,841 1.708,842 -0.534,843 40.131,844 45.734,845 0.297,846 0.615,847 0.805,848 0.814,849 0.843,850 0.871,851 4.557,852 0.84,853 5.493,854 1.936,855 4.078,856 4.472,857 2.256,858 6.402,859 3.977,860 5.736,861 0.366,862 7.114,863 1.681,864 3.761,865 4.35,866 1.404,867 7.522,868 3.603,869 7.048,870 0.195,871 8.846,872 0.715,873 5.74,874 6.575,875 2.813,876 10.71,877 5.515,878 8.404,879 -0.362,880 10.642,881 0.344,882 6.312,883 7.368,884 2.647,885 12.646,886 6.035,887 9.804,888 -0.758,889 12.476,890 -0.609,891 7.76,892 9.066,893 3.666,894 15.368,895 7.419,896 11.231,897 -0.813,898 14.335,899 -1.313,900 8.705,901 10.241,902 3.851,903 17.625,904 8.316,905 12.681,906 -1.115,907 16.211,908 -1.416,909 9.977,910 11.764,911 4.661,912 20.199,913 9.529,914 3.37,915 -1.442,916 18.101,917 -2.49,918 11.077,919 13.097,920 5.029,921 22.592,922 10.58,923 2.676,924 12.216,925 20,926 -4.196,927 12.295,928 14.564,929 5.726,930 25.117,931 11.742,932 2.437,933 9.113,934 21.908,935 4.25,936 13.458,937 15.962,938 6.188,939 27.571,940 12.855,941 1.812,942 8.269,943 23.822,944 3.228,945 14.664,946 17.412,947 6.825,948 30.079,949 14.007,950 1.4,951 5.398,952 25.741,953 2.796,954 15.853,955 18.836,956 7.336,957 32.559,958 15.145,959 1.275,960 3.334,961 27.666,962 2.288,963 17.059,964 20.282,965 7.94,966 35.062,967 16.297,968 1.039,969 2.479,970 29.594,971 1.649,972 18.26,973 21.718,974 8.477,975 37.554,976 17.446,977 3038,978 5019,979 13.235,980 25.023,981 31.63,982 33.155,983 34.161,984 30.915,985 30.817,986 37.507,987 7.912,988 90.967,989 29.429,990 5.593,991 5.89,992 6.857,993 5.394,994 5.37,995 6.95,996 3.071,997 20.216,998 5.083,999 11.897,1000 1.506,1001 1.579,1002 1.627,1003 1.472,1004 1.467,1005 1.786,1006 0.377,1007 4.332,1008 1.401,1009 4.044,1010 4.095,1011 4.017,1012 3.837,1013 7.444,1014 3.876,1015 3.678,1016 3.747,1017 3.574,1018 3.492,1019 7.411,1020 3.495,1021 3.592,1022 3.671,1023 3.416,1024 3.43,1025 4.903,1026 3.413,1027 3.464,1028 3.53,1029 3.3,1030 3.327,1031 4.665,1032 3.313,1033 3.278,1034 3.34,1035 3.149,1036 3.019,1037 4.167,1038 3.052,1039 3.055,1040 3.117,1041 2.972,1042 2.765,1043 4.11,1044 2.799,1045 2.788,1046 2.849,1047 2.593,1048 2.525,1049 3.713,1050 2.529,1051 2.695,1052 2.789,1053 2.431,1054 2.414,1055 3.605,1056 2.396,1057 0.221,1058 0.19,1059 0.338,1060 0.206,1061 0.16,1062 4.642,1063 0.202,1064 3.995,1065 0.084,1066 7.09,1067 0.582,1068 4.318,1069 0.152,1070 3.37,1071 4.25,1072 1.761,1073 12.216,1074 3.193,1075 1.792,1076 1.746,1077 1.957,1078 2.015,1079 1.205,1080 1.988,1081 1.651,1082 1.585,1083 1.904,1084 1.86,1085 1.155,1086 1.865,1087 1.609,1088 1.533,1089 1.869,1090 1.809,1091 1.004,1092 1.844,1093 1.433,1094 1.376,1095 1.614,1096 1.646,1097 0.699,1098 1.653,1099 1.233,1100 1.158,1101 1.438,1102 1.479,1103 0.51,1104 1.477,1105 0.995,1106 0.924,1107 1.351,1108 1.277,1109 0.41,1110 1.301,1111 0.924,1112 0.843,1113 1.234,1114 1.213,1115 0.27,1116 1.212,1117 0.663,1118 0.577,1119 1.047,1120 0.995,1121 0.044,1122 1.008,1123 3.761,1125 5.069,1126 2.398,1127 6.605,1128 4.727,1129 8.267,1130 6.862,1131 10.001,1132 3.94,1136 3.041,1140 2.894,1144 23.73,1145 63.136,1146 130.877,1147 171.367,1148 173.367,1149 179.367,1150 185.367,1151 45.491,1152 6.435,1153 61.82,1154 61.82,1155 11,1156 12.446,1157 3.17,1158 2.7,1159 35.915,1160 53,1161 57,1162 0.369,1163 150.809,1164 263.52,1165 359.734,1166 3859,1168 14.698,1169 0.735,1170 0.6,1171 14.698,1172 12.003,1173 9.651,1174 0.46,1175 0.331,1176 6.824,1177 9.185,1178 6.631,1179 5.608,1180 9.651,1181 6.946,1182 7.991,1183 0.276,1184 0.164,1185 7.991,1186 4.749,1187 6.996,1188 0.167,1189 0.076,1190 6.996,1191 3.204,1192 6.308,1193 0.107,1194 0.04,1195 6.308,1196 2.362,1197 4.882,1198 0.068,1199 0.022,1200 4.882,1201 1.553,1202 0.537,1203 61.162,1204 0.275,1205 19.175,1206 1.146,1207 100,1208 318.052,1209 114.336,1210 301.248,1211 408.81,1212 280,1213 121,1214 303.949,1215 137.613,1216 302.848,1217 454.06,1218 284,1219 6.155} {0 CHEMBL285819,1 2.005,2 7.2,3 -1.165,4 1.356,5 68.694,6 9.429,7 0.455,8 3.664,9 3.763,10 3.381,11 3.017,12 4.935,13 3.093,14 4.195,15 4.32,16 3.847,17 3.427,18 5.48,19 3.499,20 4.456,21 4.61,22 3.924,23 3.524,24 5.885,25 3.571,26 4.485,27 4.671,28 3.872,29 3.5,30 5.849,31 3.523,32 4.381,33 4.579,34 3.697,35 3.407,36 5.747,37 3.388,38 4.165,39 4.365,40 3.508,41 3.182,42 5.521,43 3.176,44 3.975,45 4.165,46 3.408,47 2.983,48 5.471,49 2.975,50 3.685,51 3.89,52 2.928,53 2.626,54 5.169,55 2.553,56 0.312,57 0.477,58 4.891,59 2.2,60 40.16,61 2.444,62 0.63,63 0.72,64 10.661,65 3.789,66 66.768,67 4.354,68 1.098,69 0.773,70 16.545,71 5.044,72 112.969,73 6.274,74 1.072,75 0.729,76 19.673,77 4.934,78 109.803,79 6.439,80 0.956,81 0.611,82 20.67,83 4.749,84 103.417,85 6.348,86 0.745,87 0.495,88 17.25,89 3.895,90 74.055,91 5.251,92 0.629,93 0.38,94 13.44,95 3.05,96 71.993,97 4.045,98 0.496,99 0.239,100 13.061,101 2.362,102 62.602,103 3.137,104 27,105 33,106 0.379,107 0.73,108 0.854,109 0.911,110 0.922,111 0.922,112 3.06,113 0.843,114 -1.44,115 -1.52,116 -1.57,117 31.3,123 1,124 3,125 1,133 1,134 1,136 1,142 1,143 1,144 1,145 1,146 1,152 4,153 2,154 1,155 1,161 2,163 1,164 5,165 1,170 3,171 1,173 2,174 3,175 1,176 1,181 1,183 1,186 3,187 1,192 1,193 1,195 1,196 3,206 3,207 1,208 1,209 1,215 1,216 1,217 1,218 1,225 1,226 1,227 1,228 1,231 446,232 13.232,233 13.232,234 13.232,235 13.232,236 13.232,237 12.029,238 13.948,239 7.37,240 13.871,241 10.728,242 10.728,243 10.728,244 10.728,245 10.728,246 8.891,247 16.922,248 3.364,249 11.941,250 2.995,251 1.142,252 0.485,253 0.188,254 0.125,255 0.125,256 3.728,259 1,262 305,263 2.345,265 85.493,266 47.162,269 71.548,270 1.04,271 37.66,274 0.83,275 1,276 1,278 1,279 1,280 0.83,281 46.833,282 144,283 4.662,284 3.588,285 6.93,286 4.228,287 3.306,288 4.609,289 1.041,290 11.64,291 3.045,292 4.154,293 3.208,294 6.539,295 3.954,296 3.022,297 3.365,299 10.159,300 2.811,301 3.709,302 2.786,303 5.9,304 3.336,305 2.429,306 2.989,308 7.964,309 2.209,310 3.49,311 2.517,312 5.238,313 2.936,314 2.113,315 2.844,317 5.957,318 1.749,319 3.037,320 2.246,321 5.016,322 2.82,323 1.896,324 2.117,326 5.828,327 1.654,328 2.736,329 1.968,330 4.787,331 2.474,332 1.585,333 1.772,335 4.701,336 1.401,337 2.523,338 1.289,339 4.141,340 2.012,341 1.12,342 1.53,343 3.003,344 0.985,345 2.167,346 1.235,347 3.694,348 1.769,349 0.889,350 1.098,351 2.433,352 0.769,353 1.551,354 1.125,355 2.991,356 1.386,357 0.544,358 0.547,359 0.909,360 0.454,361 1.158,362 0.574,363 2.693,364 0.752,365 -0.083,366 -0.091,367 -0.17,368 -0.067,369 0.902,370 0.175,371 2.68,372 0.553,373 -0.318,374 -0.392,376 -0.762,377 -0.26,378 0.727,379 -0.181,380 2.269,381 0.264,382 -0.522,383 -0.623,385 -1.255,386 -0.361,387 0.202,388 -0.499,389 2.094,390 -0.114,391 -0.952,392 -1.008,394 -2.514,395 -0.777,396 0.081,397 -0.844,398 2,399 -0.29,400 -1.16,401 -1.338,403 -3.118,404 -0.987,405 -0.107,406 -1.103,407 1.682,408 -0.452,409 -1.341,410 -1.506,412 -3.632,413 -1.205,414 9.048,415 0.452,416 0.648,417 0.032,418 23.5,419 1.175,420 8.5,421 0.425,422 15,423 0.75,424 16.093,425 0.805,426 23.352,427 0.73,428 17.227,429 0.861,430 4.691,431 0.235,432 4.833,433 0.242,434 0.234,436 0.486,437 1.122,438 1.695,439 0.616,440 1.013,441 1.145,442 0.818,443 0.999,444 1.141,445 0.661,446 1.001,447 0.936,448 0.881,449 0.93,450 1.173,451 0.688,452 0.923,453 0.879,454 0.937,455 1.033,456 0.897,457 0.809,458 0.857,459 0.98,460 0.93,461 1.023,462 0.928,463 1.097,464 0.961,465 1.043,466 1.022,467 0.901,468 0.908,469 1.042,470 1.053,471 0.961,472 1.022,473 0.942,474 1.017,475 1.117,476 1.081,477 0.942,478 1.098,479 1.089,480 0.98,481 1.814,482 1.453,483 1.165,484 1.458,485 4.5,487 3.111,488 2.361,489 1.464,490 0.691,491 0.447,492 0.354,493 0.103,494 0.016,495 3238,496 13534,497 2.018,498 37.5,500 5,501 1,502 1,503 5,507 1.624,508 1.818,509 2.874,510 3.065,515 64.152,516 2.005,517 3.858,518 4.515,519 4.813,520 4.875,521 4.875,522 2.246,523 3.984,524 4.296,525 2.97,526 564.287,527 7.367,528 5547.54,533 160,534 1.539,535 4.214,536 0.205,538 0.094,539 0.069,540 0.049,541 0.029,542 0.022,543 0.022,544 0.013,545 0.005,546 0.508,547 0.33,548 1,549 0.932,550 86.064,551 -0.321,552 -0.36,553 -0.043,554 0.013,555 -0.297,556 0.07,557 -0.11,558 0.084,559 0.01,560 -0.023,561 -0.138,562 0.006,563 0.1,564 -0.155,565 0.055,566 0.015,567 0.085,568 -0.01,569 -0.035,570 0.064,571 0.038,572 0.06,573 -0.026,574 0.015,575 -0.063,576 -0.01,577 -0.061,578 0.019,579 -0.035,580 -0.022,581 0.041,582 0.015,583 -0.007,584 -0.074,585 -0.03,586 -0.016,587 0.039,588 -0.098,589 -0.005,590 -0.109,591 0.08,592 -0.126,593 -0.094,594 -0.15,595 -0.365,596 -0.419,597 -0.047,598 -0.448,599 2.57,600 3.987,601 0.7,602 12.06,603 1.052,604 1.154,605 0.214,606 0.046,607 0.648,608 3.135,609 3.526,610 3.871,611 4.174,612 4.344,613 4.477,614 4.543,615 4.644,616 4.615,617 4.454,618 4.472,619 0.653,620 301.72,621 3.135,622 4.71,623 5.602,624 6.521,625 7.432,626 8.355,627 9.272,628 10.198,629 11.117,630 12.043,631 15.6,632 1,635 3,636 2,637 1,638 3,640 2,641 1,642 10,644 1,647 1,648 32,649 10,651 22,652 34,653 10,654 5,659 3,660 4,661 1,663 1,666 3,668 3,670 5,671 5,680 1,681 12,682 8,683 5,684 10,685 1,686 1,687 5,689 0.667,690 4,691 1,692 2,693 1,696 1,698 2,699 1,709 3,710 1,711 2,714 1,715 20,716 1,718 3,719 1,721 1,722 4,728 1,729 12.5,730 3,733 1,735 11,736 5.21,737 4.361,738 1.588,739 2.087,740 1.307,741 0.858,742 3.431,743 8.885,744 3.332,745 3.975,746 4.609,747 5.237,748 5.719,749 6.108,750 6.438,751 6.799,752 6.783,753 6.788,754 0.8,755 34,756 7.439,758 3.435,759 8.306,760 13.278,762 11.197,764 2.806,765 56.111,769 82.398,770 17.449,771 85.153,772 39.149,773 139.05,775 17.449,776 260.596,777 85.153,780 160.947,781 83.461,782 4.043,783 55.891,784 58.856,786 82.398,787 102.602,788 139.05,789 39.149,790 82.398,792 139.05,793 17.02,794 35.225,795 50.357,796 39.149,797 82.398,798 224.203,799 56.598,801 82.398,802 8.83,803 10.518,805 261.452,806 82.398,807 224.203,808 56.598,809 0.599,810 0.376,811 0.207,812 0.106,813 18,814 9,815 0.059,816 2,817 1,818 1.143,819 3.067,820 160.021,821 0.143,822 14,823 86.439,825 13.785,826 4.978,827 2.131,828 0.587,829 222.304,830 1.354,831 11.795,833 0.036,834 1.392,835 160.947,836 363.198,837 27,843 33.676,844 36.934,845 0.401,846 0.772,847 0.903,848 0.963,849 0.975,850 0.975,851 4.62,852 0.889,853 5.638,854 3.003,855 4.205,856 4.659,857 1.153,858 6.541,859 4.003,860 5.849,861 0.544,862 7.265,863 2.433,864 4.007,865 4.663,867 7.603,868 3.717,869 7.187,870 -0.083,871 8.988,872 0.909,873 5.894,874 6.921,875 1.208,876 10.751,877 5.534,878 8.563,879 -0.318,880 10.764,881 -0.17,882 6.494,883 7.765,885 12.615,886 6.059,887 9.971,888 -0.522,889 12.575,890 -0.762,891 7.904,892 9.559,893 1.265,894 15.299,895 7.399,896 11.403,897 -0.952,898 14.408,899 -1.255,900 8.84,901 10.782,903 17.49,904 8.261,905 12.854,906 -1.16,907 16.259,908 -2.514,909 10.088,910 12.409,911 1.324,912 20.015,913 9.437,914 3.306,915 -1.341,916 18.122,917 -3.118,918 11.164,919 13.804,921 22.344,922 10.436,923 3.022,924 11.64,925 19.997,926 -3.632,927 12.358,928 15.367,929 1.383,930 24.812,931 11.554,932 2.429,933 10.159,934 21.879,935 4.609,936 13.492,937 16.838,939 27.201,940 12.609,941 2.113,942 7.964,943 23.768,944 3.365,945 14.671,946 18.378,947 1.444,948 29.649,949 13.709,950 1.896,951 5.957,952 25.663,953 2.989,954 15.829,955 19.881,957 32.066,958 14.787,959 1.585,960 5.828,961 27.563,962 2.844,963 17.006,964 21.413,965 1.506,966 34.509,967 15.883,968 1.12,969 4.701,970 29.466,971 2.117,972 18.176,973 22.93,975 36.939,976 16.971,977 3270,978 6746,979 14.046,980 20.75,981 33.969,982 35.021,983 36.491,984 33.958,985 33.808,986 41.742,987 2.082,988 105.186,989 30.152,990 5.568,991 5.588,992 6.452,993 5.335,994 5.306,995 7.609,996 2.082,997 19.35,998 4.939,999 11.81,1000 1.544,1001 1.592,1002 1.659,1003 1.544,1004 1.537,1005 1.897,1006 0.095,1007 4.781,1008 1.371,1009 4.105,1010 4.154,1011 4.13,1012 3.907,1013 6.498,1014 3.946,1015 3.798,1016 3.822,1017 3.777,1018 3.604,1019 6.453,1020 3.628,1021 3.368,1022 3.437,1023 3.583,1024 3.127,1025 6.399,1026 3.155,1027 3.196,1028 3.244,1029 3.152,1030 2.926,1031 5.303,1032 2.943,1033 3.01,1034 3.1,1035 3.013,1036 2.735,1037 4.881,1038 2.763,1039 2.778,1040 2.829,1041 2.62,1042 2.39,1043 4.76,1044 2.429,1045 2.614,1046 2.648,1047 2.54,1048 2.176,1049 4.446,1050 2.175,1051 2.331,1052 2.413,1053 2.441,1054 2.094,1055 3.933,1056 2.163,1057 0.212,1058 0.163,1059 0.315,1060 0.192,1061 0.15,1062 4.662,1063 0.21,1064 3.588,1065 0.047,1066 6.93,1067 0.529,1068 4.228,1069 0.138,1070 3.306,1071 4.609,1072 1.041,1073 11.64,1074 3.045,1075 1.793,1076 1.752,1077 1.827,1078 1.996,1079 1.162,1080 1.952,1081 1.601,1082 1.565,1083 1.773,1084 1.822,1085 0.982,1086 1.807,1087 1.502,1088 1.456,1089 1.646,1090 1.782,1091 0.741,1092 1.744,1093 1.137,1094 1.08,1095 1.352,1096 1.452,1097 0.415,1098 1.422,1099 0.814,1100 0.776,1101 1.113,1102 1.216,1103 0.138,1104 1.2,1105 0.789,1106 0.661,1107 1.061,1108 1.169,1110 1.132,1111 0.645,1112 0.606,1113 0.719,1114 0.942,1116 0.898,1117 0.206,1118 0.148,1119 0.639,1120 0.798,1122 0.747,1123 3.807,1125 5.176,1126 3.045,1127 6.737,1128 5.476,1129 8.386,1130 7.627,1131 10.083,1133 5.745,1134 5.68,1135 28.825,1136 -0.417,1138 5.396,1139 -4.281,1144 20.901,1145 64.152,1146 123.471,1147 144.49,1148 154,1149 156,1150 156,1151 40.35,1152 6.798,1153 139.54,1154 139.54,1155 16,1156 12.549,1157 3.459,1158 2.585,1159 29.765,1160 53,1161 54,1162 0.29,1163 131.093,1164 217.49,1165 311.628,1166 6578,1167 3.1,1168 14.439,1169 0.722,1170 0.542,1171 14.939,1172 10.844,1173 9.524,1174 0.433,1175 0.281,1176 5.667,1177 8.619,1178 5.625,1179 4.531,1180 9.813,1181 6.184,1182 8.909,1183 0.27,1184 0.145,1185 9.317,1186 4.769,1187 8.01,1188 0.17,1189 0.072,1190 8.246,1191 3.381,1192 6.79,1193 0.106,1194 0.037,1195 7.112,1196 2.378,1197 4.966,1198 0.065,1199 0.019,1200 5.228,1201 1.43,1202 0.429,1203 65.095,1204 0.267,1205 19.22,1206 0.874,1207 110,1208 412.281,1209 146.609,1210 411.32,1211 539.28,1212 382,1213 135,1214 362.843,1215 166.987,1216 368.506,1217 556.71,1218 346,1219 5.097} {0 CHEMBL286680,1 1.689,2 5.688,3 0.773,4 0.597,5 58.606,6 7.409,7 0.294,8 3.515,9 3.651,10 3.076,11 2.897,12 4.643,13 2.915,14 4.079,15 4.306,16 3.462,17 3.282,18 5.168,19 3.286,20 4.216,21 4.406,22 3.599,23 3.42,24 5.427,25 3.424,26 4.378,27 4.584,28 3.564,29 3.377,30 5.841,31 3.393,32 4.179,33 4.376,34 3.117,35 3.237,36 5.432,37 3.179,38 4.13,39 4.382,40 2.55,41 3.077,42 5.191,43 2.904,44 3.908,45 4.256,46 1.885,47 2.717,48 4.625,49 2.433,50 3.359,51 3.751,52 0.813,53 2.078,54 3.85,55 1.689,56 0.053,57 0.461,58 6.308,59 1.975,60 5.024,61 3.265,62 0.397,63 0.686,64 13.272,65 3.235,66 16.636,67 5.42,68 0.251,69 0.759,70 14.518,71 4.368,72 20.383,73 6.73,74 0.686,75 0.736,76 18.892,77 3.769,78 91.745,79 6.23,80 0.435,81 0.606,82 14.991,83 3.681,84 44.947,85 5.599,86 0.398,87 0.497,88 15.209,89 4.051,90 57.462,91 6.223,92 0.272,93 0.342,94 13.111,95 3.332,96 33.874,97 5.724,98 0.137,99 0.169,100 7.746,101 1.927,102 15.86,103 3.49,104 28,105 25,106 0.328,107 0.603,108 0.796,109 0.835,110 0.835,111 0.835,112 2.856,113 0.915,114 -2.59,115 -2.61,116 -2.54,117 33.3,118 1,119 1,122 2,123 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 3,182 1,183 4,193 2,203 1,231 186,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.652,238 16.17,239 5.964,240 10.802,241 8.258,242 8.258,243 8.258,244 8.258,245 8.258,246 6.844,247 22.25,248 2.657,249 8.751,250 3.217,251 1.804,252 0.809,253 0.609,254 0.609,255 0.609,256 3.491,261 1,262 186,263 2.345,265 31.192,266 36.167,269 56.624,270 0.852,271 21.99,274 1,275 1,276 1,277 0.5,278 1,279 1,280 0.93,281 36,282 91,283 4.626,284 3.987,285 7.052,286 4.3,287 3.35,288 4.235,289 1.761,290 11.995,291 3.178,292 3.922,293 3.4,294 6.187,295 3.569,296 2.631,297 3.201,298 1.083,299 8.833,300 2.463,301 3.592,302 2.94,303 5.914,304 3.318,305 2.371,306 2.761,307 0.526,308 7.829,309 2.237,310 3.034,311 2.209,312 4.799,313 2.603,314 1.644,315 2.159,316 0.064,317 4.676,318 1.561,319 2.547,320 1.931,321 4.124,322 2.321,323 1.34,324 1.538,326 3.125,327 1.308,328 2.262,329 1.19,330 3.583,331 1.851,332 0.926,333 1.158,335 1.942,336 0.855,337 1.881,338 1.042,339 3.333,340 1.467,341 0.463,342 0.611,343 1.145,344 0.457,345 1.558,346 0.934,347 2.762,348 1.229,349 0.209,350 0.251,351 0.381,352 0.209,353 0.716,354 -0.109,355 2,356 0.398,357 -0.547,358 -0.621,359 -1.228,360 -0.511,361 0.348,362 -0.362,363 2,364 0.203,365 -0.817,366 -0.947,367 -1.454,368 -0.828,369 0.095,370 -0.58,371 1.836,372 -0.261,373 -1.194,374 -1.397,376 -3.085,377 -1.093,378 -0.065,379 -1.025,380 1.522,381 -0.413,382 -1.395,383 -1.764,385 -3.72,386 -1.367,387 -0.291,388 -1.09,389 1.387,390 -0.53,391 -1.514,392 -1.871,394 -4.644,395 -1.503,396 -0.367,397 -1.557,398 1.302,399 -0.802,400 -1.734,401 -2,402 -0.4,403 -4.931,404 -1.619,405 -0.583,406 -1.643,407 1.221,408 -0.847,409 -1.78,410 -2.078,411 -0.66,412 -6.016,413 -1.672,414 7.267,415 0.454,416 0.511,417 0.032,418 19.25,419 1.203,420 7.5,421 0.469,422 11.75,423 0.734,424 11.612,425 0.726,426 18.533,427 0.618,428 13.396,429 0.837,430 3.797,431 0.237,432 3.778,433 0.236,434 0.298,436 0.44,437 0.713,438 2.119,439 0.748,440 1.528,441 0.516,442 1.187,443 0.63,444 0.757,445 0.674,446 0.605,447 0.509,448 0.618,449 0.769,450 1.398,451 0.695,452 1.265,453 0.858,454 1.003,455 1.473,456 0.914,457 1.121,458 0.843,459 1.52,460 0.888,461 1.673,462 1.029,463 1.534,464 1.192,465 1.649,466 1.316,467 1.403,468 0.963,469 1.467,470 1.199,471 1.555,472 1.357,473 0.612,474 0.677,475 0.92,476 0.862,477 0.579,478 0.954,479 0.24,480 0.61,481 0.75,482 0.844,483 0.164,484 0.899,485 3,487 2.667,488 2,489 1.672,490 0.479,491 0.136,492 0.041,495 1506,496 4458,497 1.923,498 46.7,499 3,500 8,502 1,505 2,507 1.562,508 1.714,509 2.525,510 -0.612,512 1,514 1,515 50.684,516 1.689,517 3.103,518 4.098,519 4.298,520 4.298,521 4.298,522 1.924,523 3.281,524 3.971,525 2.579,526 309.532,527 6.74,528 2622.01,530 1,533 147.207,534 1.546,535 3.873,536 0.176,538 0.107,539 0.071,540 0.067,541 0.032,542 0.019,543 0.014,546 0.486,547 0.67,548 1,549 1.274,550 61.833,551 -0.048,552 -0.763,553 0.075,554 -0.355,555 -0.03,556 -0.15,557 0.222,558 0.395,559 0.266,560 0.346,561 0.074,562 0.32,563 0.122,564 -0.268,565 0.217,566 -0.188,567 0.027,568 0.006,569 -0.047,570 0.086,571 -0.096,572 0.036,573 0.058,574 -0.023,575 -0.403,576 0.012,577 -0.567,578 -0.227,579 -0.233,580 -0.403,581 -0.327,582 -0.103,583 -0.491,584 -0.222,585 -0.289,586 -0.384,587 0.037,588 0.008,589 0.073,590 0.056,591 0.006,592 0.069,593 0.206,594 -0.014,595 0.248,596 0.042,597 0.11,598 0.144,599 1.974,600 5.062,601 0.563,602 8.125,603 1.016,604 1.15,605 1.357,606 1.841,607 0.625,608 2.89,609 3.258,610 3.611,611 3.892,612 4.025,613 4.043,614 3.951,615 3.807,616 3.401,617 2.565,618 3.586,619 0.605,620 222.28,621 2.89,622 4.443,623 5.333,624 6.248,625 7.16,626 8.081,627 8.999,628 9.921,629 10.841,630 11.763,631 13.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 30,649 7,651 17,652 31,653 10,654 3,657 1,659 2,660 3,662 1,663 1,668 1,670 5,671 5,673 2,676 2,678 2,680 1,681 14,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 16,719 2,723 2,729 6.7,732 2,735 9.333,736 6.467,737 3.611,738 1.892,739 1.19,740 1.199,741 0.933,742 2.72,743 7.174,744 3.114,745 3.67,746 4.254,747 4.782,748 4.99,749 5.218,750 5.293,751 5.326,752 5.191,753 4.321,754 0.75,755 28,756 5.937,758 2.516,759 8.042,760 11.014,762 8.701,764 2.542,765 40.667,766 0.002,769 164.795,770 52.942,771 24.933,773 50.29,775 52.942,776 215.085,777 24.933,778 25.618,779 10.889,781 92.17,782 1.899,783 9.36,784 153.024,786 164.795,787 77.875,788 50.29,790 141.253,791 73.832,793 30.232,794 30.858,795 16.786,797 164.795,798 75.223,799 52.942,801 164.795,802 18.705,803 42.384,805 67.075,806 164.795,807 75.223,808 52.942,809 0.589,810 0.382,811 0.216,812 0.112,813 13,814 7,815 0.065,816 2,817 1,818 1.222,819 2.615,820 112.461,821 0.222,822 9,823 64,825 11.144,826 3.905,827 1.553,829 73.324,830 1.543,831 4.053,833 0.903,834 1.642,836 292.96,837 21.5,840 23.942,842 -0.571,843 30.48,844 34.488,845 0.344,846 0.632,847 0.835,848 0.876,849 0.876,850 0.876,851 4.385,852 0.209,853 5.371,854 1.145,855 3.932,856 4.35,857 2.197,858 6.293,859 3.823,860 5.605,861 -0.547,862 7.015,863 0.381,864 3.761,865 4.35,866 1.404,867 7.427,868 3.603,869 6.942,870 -0.817,871 8.762,872 -1.228,873 5.631,874 6.509,875 2.804,876 10.599,877 5.404,878 8.319,879 -1.194,880 10.565,881 -1.454,882 6.275,883 7.348,884 2.647,885 12.515,886 6.003,887 9.732,888 -1.395,889 12.401,890 -3.085,891 7.674,892 9.022,893 3.665,894 15.235,895 7.338,896 11.168,897 -1.514,898 14.26,899 -3.72,900 8.648,901 10.21,902 3.851,903 17.468,904 8.268,905 12.623,906 -1.734,907 16.135,908 -4.644,909 9.899,910 11.726,911 4.661,912 20.038,913 9.461,914 3.35,915 -1.78,916 18.022,917 -4.931,918 11.008,919 13.061,920 5.029,921 22.41,922 10.523,923 2.631,924 11.995,925 19.919,926 -6.016,927 12.217,928 14.524,929 5.726,930 24.925,931 11.677,932 2.371,933 8.833,934 21.823,935 4.235,936 13.38,937 15.92,938 6.188,939 27.359,940 12.791,941 1.644,942 7.829,943 23.733,944 3.201,945 14.581,946 17.367,947 6.825,948 29.854,949 13.939,950 1.34,951 4.676,952 25.649,953 2.761,954 15.767,955 18.789,956 7.336,957 32.315,958 15.075,959 0.926,960 3.125,961 27.57,962 2.159,963 16.968,964 20.232,965 7.94,966 34.803,967 16.224,968 0.463,969 1.942,970 29.495,971 1.538,972 18.166,973 21.665,974 8.477,975 37.277,976 17.37,977 1644,978 2925,979 10.463,980 18.739,981 26.608,982 28.11,983 28.808,984 25.976,985 25.868,986 31.829,987 6.869,988 79.85,989 24.535,990 5.572,991 5.878,992 6.811,993 5.374,994 5.35,995 6.926,996 3.071,997 19.995,998 5.067,999 9.727,1000 1.565,1001 1.654,1002 1.695,1003 1.528,1004 1.522,1005 1.872,1006 0.404,1007 4.697,1008 1.443,1009 4.028,1010 4.081,1011 4.003,1012 3.811,1013 7.444,1014 3.854,1015 3.646,1016 3.72,1017 3.535,1018 3.454,1019 7.411,1020 3.453,1021 3.427,1022 3.507,1023 3.279,1024 3.165,1025 4.895,1026 3.189,1027 3.188,1028 3.259,1029 3.07,1030 2.911,1031 4.154,1032 2.935,1033 2.971,1034 3.076,1035 2.771,1036 2.724,1037 4.021,1038 2.711,1039 2.817,1040 2.845,1041 2.638,1042 2.514,1043 3.794,1044 2.544,1045 2.722,1046 2.8,1047 2.434,1048 2.429,1049 3.578,1050 2.425,1051 2.235,1052 2.33,1053 2.05,1054 2.022,1055 3.118,1056 2.022,1057 0.272,1058 0.235,1059 0.415,1060 0.253,1061 0.197,1062 4.626,1063 0.249,1064 3.987,1065 0.104,1066 7.052,1067 0.706,1068 4.3,1069 0.187,1070 3.35,1071 4.235,1072 1.761,1073 11.995,1074 3.178,1075 1.763,1076 1.718,1077 1.938,1078 2,1079 1.181,1080 1.967,1081 1.565,1082 1.491,1083 1.792,1084 1.794,1085 0.917,1086 1.804,1087 1.466,1088 1.384,1089 1.696,1090 1.737,1091 0.741,1092 1.734,1093 1.116,1094 1.028,1095 1.445,1096 1.414,1097 0.545,1098 1.429,1099 1.009,1100 0.94,1101 1.266,1102 1.277,1103 0.363,1104 1.274,1105 0.812,1106 0.715,1107 1.179,1108 1.108,1109 0.172,1110 1.141,1111 0.639,1112 0.591,1113 0.83,1114 0.997,1116 0.942,1117 0.408,1118 0.362,1119 0.699,1120 0.762,1122 0.728,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.15,1130 6.843,1131 9.889,1132 5.306,1136 1.186,1140 2.663,1144 18.149,1145 50.684,1146 93.101,1147 122.942,1148 128.942,1149 128.942,1150 128.942,1151 30.327,1152 5.984,1153 61.82,1154 61.82,1155 11,1156 12.271,1157 3,1158 2.459,1159 25.629,1160 37,1161 36,1162 0.408,1163 115.367,1164 196.96,1165 273.256,1166 2147,1168 11.87,1169 0.742,1170 0.6,1171 11.87,1172 9.597,1173 7.575,1174 0.446,1175 0.305,1176 5.054,1177 7.095,1178 4.852,1179 4.11,1180 7.575,1181 5.184,1182 6.826,1183 0.273,1184 0.153,1185 6.826,1186 3.826,1187 6.191,1188 0.172,1189 0.074,1190 6.191,1191 2.648,1192 5.187,1193 0.108,1194 0.038,1195 5.187,1196 1.817,1197 3.774,1198 0.069,1199 0.021,1200 3.774,1201 1.141,1202 0.581,1203 48.875,1204 0.309,1205 15.401,1206 1.316,1207 84,1208 294.052,1209 97.67,1210 276.382,1211 372.24,1212 256,1213 103,1214 275.245,1215 118.947,1216 276.107,1217 410.55,1218 256,1219 5.301} {0 CHEMBL286785,1 1.718,2 6.176,3 0.65,4 0.423,5 61.452,6 8.009,7 0.278,8 3.488,9 3.615,10 3.107,11 2.922,12 4.735,13 2.95,14 3.978,15 4.159,16 3.467,17 3.265,18 5.194,19 3.278,20 4.165,21 4.351,22 3.592,23 3.367,24 5.445,25 3.391,26 4.282,27 4.465,28 3.623,29 3.384,30 5.816,31 3.422,32 4.173,33 4.355,34 3.322,35 3.315,36 5.633,37 3.288,38 4.079,39 4.317,40 2.801,41 3.114,42 5.298,43 3.004,44 3.733,45 4.024,46 2.182,47 2.751,48 4.801,49 2.541,50 3.319,51 3.665,52 1.21,53 2.142,54 4.19,55 1.842,56 0.073,57 0.463,58 5.2,59 2.005,60 10.341,61 2.77,62 0.331,63 0.684,64 10.177,65 3.146,66 14.03,67 4.525,68 0.288,69 0.752,70 12.845,71 4.052,72 38.222,73 5.698,74 0.633,75 0.76,76 15.759,77 3.94,78 77.82,79 5.295,80 0.388,81 0.688,82 13.418,83 4.094,84 67.428,85 5.376,86 0.419,87 0.564,88 13.965,89 3.83,90 63.458,91 5.313,92 0.19,93 0.383,94 10.183,95 3.248,96 33.783,97 4.987,98 0.168,99 0.202,100 7.825,101 2.165,102 28.282,103 3.491,104 25,105 25,106 0.331,107 0.686,108 0.777,109 0.79,110 0.83,111 0.856,112 2.911,113 0.848,114 -2.3,115 -2.34,116 -2.3,117 37.9,123 2,126 2,127 2,133 1,139 1,140 1,141 1,142 1,150 2,152 4,153 2,155 2,161 3,162 2,170 2,171 5,174 3,176 1,182 1,183 7,188 1,193 3,198 1,201 1,203 1,208 1,210 2,219 1,231 249,232 11.552,233 11.552,234 11.552,235 11.552,236 11.552,237 10.523,238 16.422,239 6.925,240 11.845,241 8.771,242 8.771,243 8.771,244 8.771,245 8.771,246 7.042,247 20.163,248 3.038,249 9.225,250 3.14,251 1.298,252 0.828,253 0.759,254 0.552,255 0.414,256 3.555,261 1,262 213,263 2.646,265 33.949,266 40.26,269 62.266,270 0.913,271 24.683,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 38,282 105,283 4.564,284 3.989,285 6.981,286 4.265,287 3.314,288 4.095,289 1.77,290 11.783,291 3.146,292 3.808,293 3.393,294 6.029,295 3.434,296 2.493,297 3.104,298 1.112,299 8.388,300 2.354,301 3.629,302 2.885,303 5.945,304 3.369,305 2.405,306 2.786,307 0.695,308 8.016,309 2.291,310 2.852,311 2.094,312 4.178,313 2.401,314 1.426,315 1.86,316 0.477,317 3.311,318 1.382,319 2.763,320 2.054,321 3.981,322 2.279,323 1.277,324 1.667,325 0.074,326 2.708,327 1.273,328 2.581,329 1.392,330 3.452,331 2.027,332 1.088,333 1.524,335 2.276,336 1.017,337 2.301,338 1.173,339 3.339,340 1.733,341 0.784,342 1.131,343 1.77,344 0.737,345 1.919,346 1.025,347 2.891,348 1.354,349 0.358,350 0.512,351 0.687,352 0.353,353 1.753,354 0.669,355 2.589,356 1.147,357 0.129,358 0.19,359 0.228,360 0.129,361 0.677,362 -0.281,363 2,364 0.254,365 -0.726,366 -0.975,367 -1.28,368 -0.703,369 0.645,370 -0.334,371 1.81,372 0.203,373 -0.811,374 -1.107,376 -1.41,377 -0.81,378 0.209,379 -0.762,380 1.656,381 -0.153,382 -1.147,383 -1.577,385 -2.72,386 -1.136,387 -0.053,388 -0.826,389 1.5,390 -0.463,391 -1.463,392 -2,394 -4.155,395 -1.432,396 -0.191,397 -1.262,398 1.35,399 -0.662,400 -1.603,401 -2,402 -0.325,403 -4.322,404 -1.546,405 -0.457,406 -1.44,407 1.288,408 -0.747,409 -1.704,410 -2,411 -0.629,412 -4.973,413 -1.64,414 7.767,415 0.457,416 0.384,417 0.023,418 21.5,419 1.265,420 9.5,421 0.559,422 12,423 0.706,424 10.509,425 0.618,426 18.633,427 0.643,428 15.891,429 0.935,430 4.715,431 0.277,432 3.487,433 0.205,434 0.215,436 0.361,437 0.751,438 1.779,439 0.708,440 1.276,441 0.609,442 1.017,443 0.582,444 1.001,445 0.762,446 0.883,447 0.611,448 0.855,449 0.871,450 1.261,451 0.705,452 1.122,453 0.907,454 0.909,455 1.408,456 0.827,457 0.994,458 0.736,459 1.442,460 0.758,461 1.43,462 1.124,463 1.298,464 1.194,465 1.334,466 1.217,467 1.494,468 0.799,469 1.458,470 0.942,471 1.492,472 1.162,473 0.567,474 0.921,475 1.13,476 1.221,477 0.52,478 1.296,479 0.618,480 0.6,481 0.964,482 0.864,483 0.744,484 0.99,485 2.5,487 2.444,488 1.681,489 1.592,490 0.532,491 0.273,492 0.072,495 1829,496 6133,497 1.96,498 41.4,500 10,502 1,503 1,507 1.581,508 1.789,509 2.625,510 -0.141,512 1,514 1,515 49.808,516 1.718,517 3.56,518 4.03,519 4.099,520 4.306,521 4.444,522 2.133,523 3.735,524 4.054,525 2.702,526 367.426,527 6.915,528 3270.74,530 1,533 140.881,534 1.549,535 3.989,536 0.139,538 0.098,539 0.06,540 0.057,541 0.027,542 0.025,543 0.014,546 0.419,547 0.5,548 1,549 1.458,550 67.941,551 -0.089,552 -0.536,553 0.047,554 -0.234,555 -0.089,556 -0.091,557 0.251,558 0.167,559 0.103,560 0.056,561 -0.003,562 0.038,563 0.077,564 -0.213,565 0.211,566 -0.15,567 0.002,568 0.03,569 -0.002,570 0.17,571 0.003,572 0.163,573 0.057,574 0.104,575 -0.276,576 -0.125,577 -0.364,578 -0.225,579 -0.053,580 -0.299,581 -0.398,582 0.084,583 -0.448,584 0.008,585 -0.301,586 -0.196,587 0.027,588 -0.103,589 -0.122,590 -0.209,591 0.048,592 -0.201,593 0.081,594 0.038,595 0.177,596 0.123,597 -0.026,598 0.16,599 2.077,600 5.064,601 0.529,602 9.668,603 1.021,604 1.14,605 1.074,606 1.153,607 0.654,608 2.944,609 3.258,610 3.611,611 3.912,612 4.06,613 4.111,614 4.043,615 3.912,616 3.466,617 2.944,618 3.857,619 0.642,620 232.27,621 2.944,622 4.466,623 5.342,624 6.244,625 7.149,626 8.061,627 8.973,628 9.888,629 10.803,630 11.718,631 13.8,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 29,649 9,651 18,652 30,653 11,654 3,657 1,659 2,660 3,662 1,670 9,671 2,673 4,674 2,676 2,677 2,678 2,680 1,681 12,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,707 2,708 2,711 1,715 17,719 2,723 2,729 6.9,732 2,735 9.5,736 5.183,737 4,738 1.538,739 1.334,740 1.22,741 0.951,742 3.11,743 7.407,744 3.239,745 3.695,746 4.24,747 4.769,748 5.024,749 5.279,750 5.404,751 5.504,752 5.376,753 4.991,754 1,755 28,756 6.269,758 2.659,759 8.157,760 11.387,762 8.895,764 2.657,765 45.167,766 0.001,769 129.482,770 77.381,771 39.82,773 50.29,775 77.381,776 179.772,777 39.82,779 41.994,780 18.952,781 92.17,782 21.87,783 4.276,784 117.711,786 129.482,787 117.201,788 50.29,790 129.482,791 50.29,793 40.949,794 40.514,795 35.738,797 129.482,798 90.11,799 77.381,801 129.482,802 18.277,803 33.82,804 16.786,805 98.609,806 129.482,807 90.11,808 77.381,809 0.561,810 0.363,811 0.223,812 0.122,813 12,814 6,815 0.133,816 4,817 1,818 1.222,819 2.761,820 120.094,821 0.222,822 9,823 69.487,825 11.61,826 4.553,827 1.785,829 73.324,830 1.392,831 3.928,832 2.789,833 0.661,835 16.786,836 296.973,837 24.5,838 7.11,840 24.014,841 3.087,842 -0.807,843 29.596,844 33.073,845 0.354,846 0.733,847 0.83,848 0.844,849 0.886,850 0.915,851 4.469,852 0.358,853 5.342,854 1.77,855 3.932,856 4.376,857 2.311,858 6.24,859 3.835,860 5.649,861 0.129,862 6.959,863 0.687,864 3.611,865 4.159,866 1.404,867 7.338,868 3.476,869 6.947,870 -0.726,871 8.688,872 0.228,873 5.587,874 6.439,875 2.863,876 10.515,877 5.378,878 8.289,879 -0.811,880 10.479,881 -1.28,882 6.155,883 7.151,884 2.671,885 12.413,886 5.906,887 9.673,888 -1.147,889 12.307,890 -1.41,891 7.595,892 8.86,893 3.708,894 15.121,895 7.278,896 11.084,897 -1.463,898 14.16,899 -2.72,900 8.531,901 9.97,902 3.888,903 17.333,904 8.172,905 12.518,906 -1.603,907 16.029,908 -4.155,909 9.794,910 11.48,911 4.705,912 19.89,913 9.375,914 3.314,915 -1.704,916 17.909,917 -4.322,918 10.882,919 12.759,920 5.075,921 22.24,922 10.416,923 2.493,924 11.783,925 19.799,926 -4.973,927 12.09,928 14.2,929 5.776,930 24.742,931 11.569,932 2.405,933 8.388,934 21.695,935 4.095,936 13.24,937 15.552,938 6.243,939 27.155,940 12.67,941 1.426,942 8.016,943 23.597,944 3.104,945 14.435,946 16.97,947 6.884,948 29.636,949 13.811,950 1.277,951 3.311,952 25.505,953 2.786,954 15.611,955 18.353,956 7.4,957 32.078,958 14.937,959 1.088,960 2.708,961 27.416,962 1.86,963 16.804,964 19.764,965 8.009,966 34.55,967 16.078,968 0.784,969 2.276,970 29.332,971 1.667,972 17.992,973 21.161,974 8.55,975 37.005,976 17.214,977 1976,978 3699,979 11.444,980 18.977,981 27.839,982 28.793,983 29.148,984 26.616,985 26.547,986 33.735,987 8.255,988 78.332,989 25.366,990 5.511,991 5.876,992 6.741,993 5.339,994 5.314,995 6.773,996 3.082,997 19.783,998 5.036,999 9.341,1000 1.547,1001 1.6,1002 1.619,1003 1.479,1004 1.475,1005 1.874,1006 0.459,1007 4.352,1008 1.409,1009 4.012,1010 4.065,1011 3.985,1012 3.795,1013 7.444,1014 3.837,1015 3.616,1016 3.683,1017 3.522,1018 3.45,1019 7.411,1020 3.449,1021 3.557,1022 3.62,1023 3.423,1024 3.417,1025 4.947,1026 3.41,1027 3.281,1028 3.329,1029 3.182,1030 3.022,1031 4.709,1032 3.065,1033 3.03,1034 3.059,1035 2.984,1036 2.734,1037 4.698,1038 2.789,1039 2.707,1040 2.787,1041 2.509,1042 2.451,1043 3.833,1044 2.451,1045 2.564,1046 2.65,1047 2.304,1048 2.272,1049 3.648,1050 2.265,1051 2.257,1052 2.364,1053 2.085,1054 2.014,1055 3.405,1056 2.017,1057 0.254,1058 0.222,1059 0.388,1060 0.237,1061 0.184,1062 4.564,1063 0.227,1064 3.989,1065 0.098,1066 6.981,1067 0.655,1068 4.265,1069 0.175,1070 3.314,1071 4.095,1072 1.77,1073 11.783,1074 3.146,1075 1.766,1076 1.722,1077 1.896,1078 1.994,1079 1.022,1080 1.958,1081 1.58,1082 1.519,1083 1.814,1084 1.763,1085 0.883,1086 1.78,1087 1.433,1088 1.386,1089 1.591,1090 1.64,1091 0.586,1092 1.635,1093 1.325,1094 1.242,1095 1.48,1096 1.592,1097 0.362,1098 1.578,1099 0.947,1100 0.909,1101 1.206,1102 1.228,1103 0.14,1104 1.191,1105 0.838,1106 0.754,1107 1.162,1108 1.143,1109 0.124,1110 1.157,1111 0.523,1112 0.444,1113 0.779,1114 0.873,1116 0.875,1117 0.4,1118 0.359,1119 0.581,1120 0.781,1122 0.726,1123 3.611,1125 4.92,1126 2.398,1127 6.457,1128 4.595,1129 8.118,1130 6.629,1131 9.847,1136 0.479,1140 2.514,1144 18.622,1145 49.808,1146 103.23,1147 116.881,1148 118.881,1149 124.881,1150 128.881,1151 33.914,1152 6.073,1153 72.68,1154 72.68,1155 11,1156 12.23,1157 3.322,1158 2.907,1159 28.04,1160 41,1161 40,1162 0.388,1163 119.105,1164 208.98,1165 282.375,1166 2454,1168 12.414,1169 0.73,1170 0.542,1171 12.414,1172 9.219,1173 8.202,1174 0.456,1175 0.283,1176 4.976,1177 7.763,1178 4.888,1179 4.085,1180 8.202,1181 5.089,1182 6.882,1183 0.275,1184 0.139,1185 6.882,1186 3.486,1187 6.12,1188 0.17,1189 0.067,1190 6.12,1191 2.422,1192 5.375,1193 0.11,1194 0.035,1195 5.375,1196 1.694,1197 4.008,1198 0.07,1199 0.018,1200 4.008,1201 1.024,1202 0.558,1203 52.349,1204 0.296,1205 16.466,1206 1.227,1207 86,1208 306.739,1209 99.643,1210 291.789,1211 390.88,1212 270,1213 104,1214 285.752,1215 119.281,1216 285.373,1217 424.24,1218 267,1219 5.301} {0 CHEMBL286976,1 1.735,2 5.4,3 0.567,4 0.321,5 53.709,6 7.713,7 0.313,8 3.424,9 3.56,10 3.013,11 2.808,12 4.586,13 2.839,14 3.971,15 4.182,16 3.393,17 3.188,18 5.115,19 3.197,20 4.125,21 4.326,22 3.499,23 3.274,24 5.378,25 3.292,26 4.217,27 4.412,28 3.433,29 3.214,30 5.738,31 3.248,32 3.996,33 4.197,34 2.977,35 3.116,36 5.196,37 3.038,38 4.021,39 4.312,40 2.299,41 2.87,42 5.015,43 2.683,44 3.491,45 3.821,46 1.416,47 2.275,48 4.337,49 1.985,50 2.893,51 3.305,52 0.366,53 1.306,54 3.611,55 0.958,56 0.076,57 0.422,58 5.371,59 1.709,60 5.965,61 2.754,62 0.362,63 0.622,64 11.299,65 2.965,66 16.031,67 4.78,68 0.295,69 0.657,70 13.194,71 3.723,72 26.501,73 5.788,74 0.702,75 0.621,76 15.862,77 3.029,78 93.986,79 4.761,80 0.305,81 0.536,82 11.566,83 3.331,84 30.845,85 5.077,86 0.42,87 0.405,88 14.377,89 3.25,90 55.366,91 5.382,92 0.198,93 0.201,94 8.74,95 2.243,96 23.36,97 3.767,98 0.17,99 0.058,100 5.828,101 1.053,102 25.725,103 1.966,104 19,105 23,106 0.345,107 0.672,108 0.847,109 0.847,110 0.847,111 0.847,112 2.799,113 0.899,114 -2.28,115 -2.32,116 -2.29,117 33.3,118 1,119 1,122 1,123 1,134 1,138 1,140 1,141 1,142 1,150 1,152 5,153 1,155 1,162 1,164 3,170 5,171 3,183 3,186 1,188 1,193 1,198 1,203 1,231 174,232 9.975,233 9.975,234 9.975,235 9.975,236 9.975,237 9.205,238 13.007,239 5.777,240 10.267,241 7.785,242 7.785,243 7.785,244 7.785,245 7.785,246 6.452,247 16.305,248 2.575,249 8.215,250 3.02,251 1.378,252 0.5,253 0.5,254 0.5,255 0.5,256 3.433,261 1,262 165,263 2.236,265 27.527,266 33.752,269 51.572,270 0.827,271 21.306,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 34,282 81,283 4.555,284 3.973,285 6.952,286 4.251,287 3.3,288 4.091,289 1.761,290 11.634,291 3.134,292 3.78,293 3.39,294 5.947,295 3.399,296 2.441,297 3.073,298 1.083,299 8.021,300 2.34,301 3.607,302 2.854,303 5.923,304 3.341,305 2.391,306 2.768,307 0.526,308 7.874,309 2.248,310 2.718,311 1.935,312 4.069,313 2.362,314 1.38,315 1.745,316 0.064,317 3.125,318 1.347,319 2.347,320 1.663,321 3.95,322 2.043,323 1.105,324 1.32,326 2.47,327 1.033,328 2.31,329 1.185,330 3.399,331 1.805,332 0.862,333 1.177,335 2.091,336 0.805,337 1.813,338 1.031,339 3.045,340 1.393,341 0.387,342 0.498,343 0.818,344 0.383,345 1.542,346 0.629,347 2.663,348 1.171,349 0.157,350 0.2,351 0.306,352 0.156,353 0.451,354 -0.328,355 2,356 0.254,357 -0.726,358 -0.798,359 -1.29,360 -0.703,361 0.222,362 -0.473,363 1.771,364 -0.114,365 -1.136,366 -1.385,367 -2.663,368 -1.134,369 -0.053,370 -0.83,371 1.548,372 -0.395,373 -1.331,374 -1.593,376 -3.314,377 -1.255,378 -0.165,379 -1.06,380 1.478,381 -0.471,382 -1.464,383 -1.891,385 -4.161,386 -1.432,387 -0.225,388 -1.54,389 1.288,390 -0.665,391 -1.605,392 -2,393 -0.4,394 -4.853,395 -1.547,396 -0.656,397 -1.566,398 1.198,399 -0.869,400 -1.812,401 -2.034,402 -0.66,403 -5.96,404 -1.707,405 -0.8,406 -1.78,407 0.529,408 -1.033,409 -1.949,410 -2.493,411 -1.065,412 -6.098,413 -1.781,414 6.767,415 0.451,416 0.422,417 0.028,418 18.5,419 1.233,420 7.5,421 0.5,422 11,423 0.733,424 10.106,425 0.674,426 17.233,427 0.638,428 12.16,429 0.811,430 3.653,431 0.244,432 3.511,433 0.234,434 0.246,436 0.414,437 0.749,438 1.998,439 0.729,440 1.43,441 0.522,442 1.107,443 0.551,444 0.883,445 0.68,446 0.763,447 0.521,448 0.738,449 0.792,450 1.306,451 0.662,452 1.192,453 0.829,454 0.932,455 1.605,456 0.778,457 1.193,458 0.689,459 1.677,460 0.819,461 1.08,462 1.259,463 1.389,464 1.46,465 0.987,466 1.493,467 1.23,468 0.718,469 1.354,470 0.949,471 1.227,472 1.156,473 0.681,474 0.801,475 1.049,476 1.131,477 0.716,478 1.19,479 0.936,481 0.486,482 0.006,483 1.221,484 0.151,485 2.5,487 2.444,488 1.431,489 1.392,490 0.441,491 0.136,495 1283,496 4087,497 1.955,498 44.4,499 3,500 5,502 1,503 1,505 2,507 1.542,508 1.765,509 2.46,510 -0.069,514 1,515 46.833,516 1.735,517 3.376,518 4.255,519 4.255,520 4.255,521 4.255,522 1.909,523 3.774,524 3.879,525 2.505,526 263.035,527 6.552,528 2142.48,530 1,533 128.382,534 1.566,535 3.796,536 0.156,538 0.106,539 0.057,540 0.063,541 0.034,542 0.027,546 0.444,547 0.67,548 1,549 1.29,550 56.335,551 -0.094,552 -0.657,553 0.055,554 -0.286,555 -0.034,556 -0.107,557 0.251,558 0.273,559 0.223,560 0.214,561 0.066,562 0.207,563 0.108,564 -0.243,565 0.258,566 -0.162,567 0.06,568 0.055,569 -0.136,570 0.196,571 -0.173,572 0.173,573 -0.019,574 0.019,575 -0.197,576 -0.183,577 -0.502,578 -0.434,579 -0.101,580 -0.527,581 -0.27,582 0.056,583 -0.334,584 -0.048,585 -0.225,586 -0.186,587 0.047,588 -0.14,589 -0.017,590 -0.186,591 -0.003,592 -0.13,593 0.101,594 0.266,595 0.76,596 0.774,597 -0.04,598 0.902,599 2,600 4.763,601 0.6,602 7.307,603 1.022,604 1.151,605 1.053,606 1.11,607 0.629,608 2.833,609 3.178,610 3.526,611 3.784,612 3.912,613 3.932,614 3.761,615 3.555,616 3.045,617 2.485,618 3.435,619 0.616,620 208.25,621 2.833,622 4.369,623 5.252,624 6.155,625 7.06,626 7.97,627 8.88,628 9.791,629 10.702,630 11.614,631 14.8,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 27,649 7,651 16,652 28,653 9,654 3,657 1,659 2,660 3,662 1,663 1,668 1,670 5,671 4,673 2,676 2,678 2,680 1,681 12,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 15,719 2,723 2,729 7.4,732 2,735 8.5,736 5.517,737 3.417,738 1.721,739 1.185,740 1.203,741 0.946,742 2.485,743 7.023,744 3.068,745 3.59,746 4.165,747 4.662,748 4.86,749 5.125,750 5.138,751 5.134,752 4.918,753 4.298,754 0.75,755 25,756 5.553,757 -0.001,758 2.367,759 8.111,760 10.233,762 8.09,764 2.611,765 39.167,766 0.002,769 129.482,770 44.546,771 39.82,773 50.29,775 44.546,776 179.772,777 39.82,778 17.222,779 10.889,781 92.17,782 16.786,783 9.36,784 117.711,786 129.482,787 84.365,788 50.29,790 105.94,791 73.832,793 45.118,794 22.462,795 16.786,797 129.482,798 90.11,799 44.546,801 129.482,802 18.705,803 32.089,804 16.786,805 67.075,806 129.482,807 90.11,808 44.546,809 0.582,810 0.377,811 0.212,812 0.11,813 12,814 6,815 0.071,816 2,817 1,818 1.222,819 2.565,820 101.535,821 0.222,822 9,823 58.603,825 10.177,826 3.663,827 1.432,829 73.324,830 1.428,831 3.994,832 2.751,833 0.815,835 16.786,836 264.137,837 20.5,840 23.409,842 -0.652,843 27.596,844 31.073,845 0.365,846 0.71,847 0.895,848 0.895,849 0.895,850 0.895,851 4.321,852 0.157,853 5.273,854 0.818,855 3.85,856 4.27,857 2.197,858 6.176,859 3.75,860 5.521,861 -0.726,862 6.903,863 0.306,864 3.611,865 4.159,866 1.404,867 7.273,868 3.476,869 6.842,870 -1.136,871 8.639,872 -1.29,873 5.525,874 6.38,875 2.804,876 10.441,877 5.315,878 8.204,879 -1.331,880 10.433,881 -2.663,882 6.133,883 7.143,884 2.647,885 12.319,886 5.888,887 9.604,888 -1.464,889 12.262,890 -3.314,891 7.544,892 8.829,893 3.665,894 15.029,895 7.23,896 11.028,897 -1.605,898 14.113,899 -4.161,900 8.494,901 9.957,902 3.851,903 17.22,904 8.14,905 12.47,906 -1.812,907 15.979,908 -4.853,909 9.745,910 11.461,911 4.661,912 19.777,913 9.33,914 3.3,915 -1.949,916 17.856,917 -5.96,918 10.836,919 12.746,920 5.029,921 22.11,922 10.376,923 2.441,924 11.634,925 19.742,926 -6.098,927 12.039,928 14.185,929 5.726,930 24.608,931 11.522,932 2.391,933 8.021,934 21.634,935 4.091,936 13.188,937 15.539,938 6.188,939 27.006,940 12.623,941 1.38,942 7.874,943 23.533,944 3.073,945 14.379,946 16.956,947 6.825,948 29.479,949 13.76,950 1.105,951 3.125,952 25.437,953 2.768,954 15.552,955 18.34,956 7.336,957 31.907,958 14.883,959 0.862,960 2.47,961 27.345,962 1.745,963 16.742,964 19.75,965 7.94,966 34.37,967 16.02,968 0.387,969 2.091,970 29.257,971 1.32,972 17.926,973 21.147,974 8.477,975 36.812,976 17.154,977 1399,978 2590,979 10.057,980 16.977,981 24.846,982 26.12,983 26.319,984 24.13,985 24.046,986 29.745,987 6.869,988 72.678,989 22.893,990 5.502,991 5.857,992 6.711,993 5.324,994 5.3,995 6.77,996 3.071,997 19.634,998 5.022,999 8.337,1000 1.553,1001 1.633,1002 1.645,1003 1.508,1004 1.503,1005 1.859,1006 0.429,1007 4.542,1008 1.431,1009 4.008,1010 4.062,1011 3.98,1012 3.787,1013 7.444,1014 3.83,1015 3.595,1016 3.673,1017 3.468,1018 3.418,1019 7.411,1020 3.407,1021 3.471,1022 3.544,1023 3.351,1024 3.188,1025 4.945,1026 3.227,1027 3.093,1028 3.17,1029 2.987,1030 2.804,1031 4.151,1032 2.83,1033 2.879,1034 2.925,1035 2.687,1036 2.598,1037 3.996,1038 2.617,1039 2.718,1040 2.776,1041 2.484,1042 2.413,1043 3.669,1044 2.421,1045 2.368,1046 2.463,1047 2.198,1048 2.094,1049 3.453,1050 2.11,1051 2.118,1052 2.26,1053 1.952,1054 1.704,1055 3.068,1056 1.759,1057 0.285,1058 0.248,1059 0.435,1060 0.266,1061 0.206,1062 4.555,1063 0.256,1064 3.973,1065 0.11,1066 6.952,1067 0.727,1068 4.251,1069 0.196,1070 3.3,1071 4.091,1072 1.761,1073 11.634,1074 3.134,1075 1.751,1076 1.704,1077 1.935,1078 1.989,1079 1.182,1080 1.957,1081 1.551,1082 1.484,1083 1.755,1084 1.778,1085 0.836,1086 1.789,1087 1.322,1088 1.236,1089 1.531,1090 1.637,1091 0.591,1092 1.612,1093 1.181,1094 1.094,1095 1.46,1096 1.443,1097 0.493,1098 1.46,1099 0.924,1100 0.854,1101 1.246,1102 1.214,1103 0.285,1104 1.219,1105 0.656,1106 0.602,1107 0.837,1108 1.012,1110 0.967,1111 0.48,1112 0.45,1113 0.747,1114 0.871,1116 0.804,1117 0.123,1119 0.548,1120 0.538,1122 0.603,1123 3.497,1125 4.828,1126 2.398,1127 6.382,1128 4.595,1129 8.05,1130 6.629,1131 9.78,1132 3.438,1136 1.383,1140 2.601,1144 16.622,1145 46.833,1146 91.163,1147 114.872,1148 114.872,1149 114.872,1150 114.872,1151 26.751,1152 5.838,1153 72.68,1154 72.68,1155 11,1156 12.128,1157 3,1158 2.459,1159 23.279,1160 32,1161 33,1162 0.415,1163 105.775,1164 179.66,1165 249.85,1166 1801,1168 11,1169 0.733,1170 0.577,1171 11,1172 8.65,1173 7.164,1174 0.448,1175 0.3,1176 4.676,1177 6.718,1178 4.541,1179 3.825,1180 7.164,1181 4.794,1182 6.288,1183 0.273,1184 0.148,1185 6.288,1186 3.4,1187 5.806,1188 0.176,1189 0.071,1190 5.806,1191 2.359,1192 4.661,1193 0.108,1194 0.037,1195 4.661,1196 1.6,1197 3.375,1198 0.069,1199 0.02,1200 3.375,1201 0.979,1202 0.587,1203 46.206,1204 0.315,1205 14.498,1206 1.347,1207 78,1208 282.739,1209 91.309,1210 265.533,1211 356.6,1212 246,1213 95,1214 262.399,1215 109.948,1216 261.391,1217 389.01,1218 244,1219 5.097} {0 CHEMBL334813,1 1.784,2 4.786,3 0.043,4 0.002,5 49.185,6 8.093,7 0.333,8 3.326,9 3.458,10 2.954,11 2.696,12 4.531,13 2.746,14 3.858,15 4.064,16 3.346,17 3.071,18 5.059,19 3.106,20 3.981,21 4.159,22 3.452,23 3.159,24 5.317,25 3.208,26 4.08,27 4.24,28 3.36,29 3.094,30 5.711,31 3.147,32 3.881,33 4.099,34 2.699,35 2.923,36 5.081,37 2.828,38 3.746,39 4.062,40 1.604,41 2.51,42 4.677,43 2.231,44 3.031,45 3.454,46 0.381,47 1.418,48 3.689,49 1.034,56 0.094,57 0.381,58 4.378,59 1.403,60 5.509,61 2.223,62 0.36,63 0.559,64 9.653,65 2.41,66 13.817,67 3.856,68 0.307,69 0.585,70 10.527,71 3.048,72 25.263,73 4.499,74 0.658,75 0.544,76 12.604,77 2.602,78 88.135,79 3.648,80 0.362,81 0.433,82 10.388,83 2.739,84 36.09,85 4.125,86 0.33,87 0.258,88 11.494,89 2.764,90 38.158,91 4.619,92 0.218,93 0.064,94 7.424,95 1.291,96 32.336,97 2.5,104 18,105 22,106 0.365,107 0.7,108 0.841,109 0.841,110 0.841,111 0.841,112 2.738,113 0.859,114 -1.97,115 -2.02,116 -2.02,117 33.3,118 1,122 1,123 1,134 1,138 1,140 1,141 1,142 1,152 5,153 1,155 1,164 3,170 5,171 3,186 1,188 1,193 1,231 118,232 9.268,233 9.268,234 9.268,235 9.268,236 9.268,237 8.498,238 13.007,239 5.165,240 9.596,241 7.247,242 7.247,243 7.247,244 7.247,245 7.247,246 5.914,247 16.305,248 2.266,249 7.686,250 2.801,251 1.167,252 0.48,253 0.48,254 0.48,255 0.48,256 3.366,261 1,262 137,263 2,265 24.893,266 30.233,269 46.408,270 0.561,271 20.668,274 0.83,275 0.83,276 0.8,278 1,279 1,280 0.78,281 32,282 67,283 4.554,284 3.972,285 6.95,286 4.25,287 3.298,288 4.091,289 1.761,290 11.62,291 3.133,292 3.779,293 3.389,294 5.943,295 3.396,296 2.441,297 3.072,298 1.083,299 7.986,300 2.334,301 3.601,302 2.85,303 5.92,304 3.331,305 2.378,306 2.763,307 0.526,308 7.857,309 2.241,310 2.693,311 1.89,312 4.02,313 2.228,314 1.278,315 1.722,316 0.064,317 2.928,318 1.203,319 2.319,320 1.663,321 3.945,322 1.825,323 0.903,324 1.21,326 2.428,327 0.829,328 2.123,329 1.033,330 3.346,331 1.759,332 0.778,333 0.98,335 1.604,336 0.755,337 1.773,338 0.963,339 2.868,340 1.302,341 0.274,342 0.365,343 0.577,344 0.276,345 1.016,346 0.198,347 2.399,348 0.769,349 -0.229,350 -0.272,351 -0.382,352 -0.226,353 0.306,354 -0.473,355 2,356 -0.083,357 -1.092,358 -1.341,359 -2.582,360 -1.067,361 -0.051,362 -0.687,363 1.593,364 -0.359,365 -1.311,366 -1.554,367 -3.236,368 -1.254,369 -0.142,370 -1.013,371 1.497,372 -0.471,373 -1.461,374 -1.833,376 -4.105,377 -1.429,378 -0.177,379 -1.376,380 1.292,381 -0.648,382 -1.578,383 -2,384 -0.4,385 -4.719,386 -1.503,387 -0.647,388 -1.551,389 1.199,390 -0.8,391 -1.739,392 -2.034,393 -0.66,394 -5.901,395 -1.634,396 -0.7,397 -1.775,398 0.544,399 -1.026,400 -1.941,401 -2.492,402 -1.065,403 -6.073,404 -1.773,405 -0.946,406 -1.883,407 0.482,408 -1.073,409 -2,410 -2.678,411 -1.31,412 -8,413 -1.887,414 6.267,415 0.448,416 0.422,417 0.03,418 18,419 1.286,420 7.5,421 0.536,422 10.5,423 0.75,424 8.634,425 0.617,426 15.933,427 0.664,428 11.715,429 0.837,430 3.674,431 0.262,432 2.99,433 0.214,434 0.266,436 0.447,437 0.766,438 2.04,439 0.688,440 1.426,441 0.53,442 1.073,443 0.57,444 0.823,445 0.626,446 0.651,447 0.536,448 0.632,449 0.87,450 1.271,451 0.664,452 1.168,453 0.889,454 0.896,455 1.652,456 0.938,457 1.33,458 0.897,459 1.768,460 1.02,461 1.185,462 1.032,463 1.549,464 1.339,465 1.068,466 1.51,467 0.871,468 0.788,469 1.264,470 1.167,471 0.902,472 1.319,473 0.741,475 0.415,476 0.005,477 0.955,478 0.133,485 2.5,487 2.444,488 1.431,489 1.312,490 0.358,495 1036,496 3608,497 1.952,498 41.7,500 5,502 1,503 1,505 3,507 1.521,508 1.75,509 2.329,510 -0.027,515 42.82,516 1.784,517 3.418,518 4.105,519 4.105,520 4.105,521 4.105,522 1.432,523 3.093,524 3.784,525 2.313,526 210.491,527 6.361,528 1666.64,530 1,533 110.039,534 1.557,535 3.689,536 0.167,538 0.111,539 0.06,540 0.066,541 0.04,546 0.443,547 0.67,548 1,549 1.06,550 50.489,551 -0.121,552 -0.727,553 0.052,554 -0.321,555 -0.049,556 -0.119,557 0.229,558 0.319,559 0.262,560 0.296,561 0.054,562 0.287,563 0.045,564 -0.18,565 0.224,566 -0.143,567 0.025,568 0.063,569 -0.202,570 0.057,571 -0.367,572 -0.015,573 -0.07,574 -0.208,575 -0.28,576 -0.041,577 -0.639,578 -0.374,579 -0.169,580 -0.568,581 -0.06,582 -0.119,583 -0.187,584 -0.227,585 -0.1,586 -0.245,587 0.21,588 0.245,589 0.944,590 0.83,591 0.049,592 1.049,599 2.007,600 4.605,601 0.643,602 5.939,603 1.03,604 1.152,605 0.736,606 0.542,607 0.634,608 2.773,609 3.135,610 3.497,611 3.738,612 3.829,613 3.829,614 3.611,615 3.367,616 2.833,617 2.079,618 3.145,619 0.629,620 194.22,621 2.773,622 4.317,623 5.209,624 6.116,625 7.024,626 7.934,627 8.844,628 9.755,629 10.665,630 11.576,631 16.7,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 24,649 7,651 15,652 25,653 8,654 3,657 1,659 2,660 3,662 1,663 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 14,719 1,723 2,729 8.3,732 2,735 8,736 5.017,737 3.167,738 1.471,739 1.201,740 1.21,741 0.951,742 2.039,743 6.914,744 3.02,745 3.562,746 4.149,747 4.643,748 4.812,749 5.076,750 5.05,751 5.035,752 4.822,753 3.944,754 0.5,755 24,756 5.169,757 0.002,758 2.218,759 8.19,760 9.416,761 0.001,762 7.424,763 -0.001,764 2.69,765 37.667,766 0.003,769 105.94,770 42.011,771 39.82,773 50.29,775 42.011,776 156.23,777 39.82,778 17.222,779 8.354,781 92.17,782 16.786,783 9.36,784 94.169,786 105.94,787 81.831,788 50.29,790 70.627,791 85.603,793 42.584,794 22.462,795 16.786,797 105.94,798 90.11,799 42.011,801 105.94,802 16.171,803 32.089,804 16.786,805 67.075,806 105.94,807 90.11,808 42.011,809 0.592,810 0.395,811 0.214,812 0.099,813 12,814 6,815 0.04,816 1,817 1,818 1.222,819 2.449,820 93.107,821 0.222,822 9,823 53.303,825 9.214,826 3.098,827 1.165,829 73.324,830 1.414,831 3.946,832 2.726,833 0.787,835 16.786,836 238.06,837 19.5,840 23.161,842 -0.677,843 24.713,844 27.658,845 0.389,846 0.746,847 0.895,848 0.895,849 0.895,850 0.895,851 4.28,852 -0.229,853 5.242,854 0.577,855 3.807,856 4.241,857 2.197,858 6.155,859 3.701,860 5.493,861 -1.092,862 6.882,863 -0.382,864 3.611,865 4.159,866 1.404,867 7.273,868 3.476,869 6.821,870 -1.311,871 8.626,872 -2.582,873 5.501,874 6.37,875 2.804,876 10.429,877 5.287,878 8.19,879 -1.461,880 10.424,881 -3.236,882 6.133,883 7.143,884 2.647,885 12.312,886 5.888,887 9.594,888 -1.578,889 12.255,890 -4.105,891 7.53,892 8.826,893 3.665,894 15.018,895 7.214,896 11.021,897 -1.739,898 14.108,899 -4.719,900 8.491,901 9.956,902 3.851,903 17.21,904 8.138,905 12.465,906 -1.941,907 15.974,908 -5.901,909 9.736,910 11.459,911 4.661,912 19.766,913 9.32,914 3.298,915 -2,916 17.852,917 -6.073,918 10.831,919 12.745,920 5.029,921 22.098,922 10.371,923 2.441,924 11.62,925 19.738,926 -8,927 12.031,928 14.184,929 5.726,930 24.595,931 11.515,932 2.378,933 7.986,934 21.631,935 4.091,936 13.182,937 15.537,938 6.188,939 26.992,940 12.617,941 1.278,942 7.857,943 23.529,944 3.072,945 14.371,946 16.955,947 6.825,948 29.464,949 13.753,950 0.903,951 2.928,952 25.433,953 2.763,954 15.545,955 18.338,956 7.336,957 31.891,958 14.877,959 0.778,960 2.428,961 27.341,962 1.722,963 16.734,964 19.749,965 7.94,966 34.353,967 16.014,968 0.274,969 1.604,970 29.253,971 1.21,972 17.918,973 21.146,974 8.477,975 36.793,976 17.147,977 1140,978 2203,979 9.364,980 15.216,981 23.483,982 24.801,983 25.05,984 22.74,985 22.701,986 28.407,987 6.869,988 69.996,989 21.543,990 5.5,991 5.856,992 6.468,993 5.322,994 5.298,995 6.769,996 3.071,997 19.62,998 5.02,999 7.791,1000 1.566,1001 1.653,1002 1.67,1003 1.516,1004 1.513,1005 1.894,1006 0.458,1007 4.666,1008 1.436,1009 4.006,1010 4.059,1011 3.979,1012 3.783,1013 7.444,1014 3.827,1015 3.532,1016 3.609,1017 3.448,1018 3.293,1019 7.411,1020 3.305,1021 3.421,1022 3.502,1023 3.265,1024 3.165,1025 4.945,1026 3.187,1027 2.965,1028 3.026,1029 2.875,1030 2.651,1031 4.117,1032 2.693,1033 2.879,1034 2.909,1035 2.657,1036 2.594,1037 3.973,1038 2.614,1039 2.478,1040 2.554,1041 2.325,1042 2.17,1043 3.572,1044 2.193,1045 2.233,1046 2.38,1047 1.982,1048 1.911,1049 3.341,1050 1.879,1051 2.086,1052 2.182,1053 1.837,1054 1.703,1055 2.791,1056 1.758,1057 0.304,1058 0.265,1059 0.463,1060 0.283,1061 0.22,1062 4.554,1063 0.273,1064 3.972,1065 0.117,1066 6.95,1067 0.775,1068 4.25,1069 0.209,1070 3.298,1071 4.091,1072 1.761,1073 11.62,1074 3.133,1075 1.735,1076 1.691,1077 1.878,1078 1.982,1079 1.048,1080 1.942,1081 1.456,1082 1.377,1083 1.715,1084 1.721,1085 0.789,1086 1.721,1087 1.297,1088 1.206,1089 1.531,1090 1.602,1091 0.562,1092 1.596,1093 1.155,1094 1.076,1095 1.382,1096 1.399,1097 0.349,1098 1.41,1099 0.756,1100 0.727,1101 1.005,1102 1.101,1103 0.111,1104 1.042,1105 0.547,1106 0.502,1107 0.783,1108 0.928,1110 0.888,1111 0.31,1112 0.198,1113 0.551,1114 0.71,1116 0.707,1119 0.272,1120 0.128,1122 0.19,1123 3.434,1125 4.779,1126 2.398,1127 6.347,1128 4.595,1129 8.025,1130 6.629,1131 9.76,1132 3.289,1136 0.494,1140 2.525,1144 15.096,1145 42.82,1146 82.039,1147 98.529,1148 98.529,1149 98.529,1150 98.529,1151 23.537,1152 5.714,1153 72.68,1154 72.68,1155 11,1156 12.091,1157 3,1158 2.459,1159 21.011,1160 29,1161 22,1162 0.441,1163 96.182,1164 162.36,1165 226.445,1166 1515,1168 10.293,1169 0.735,1170 0.567,1171 10.293,1172 7.943,1173 6.664,1174 0.444,1175 0.286,1176 4.176,1177 6.21,1178 4.055,1179 3.393,1180 6.664,1181 4.294,1182 5.908,1183 0.269,1184 0.136,1185 5.908,1186 2.992,1187 5.656,1188 0.177,1189 0.07,1190 5.656,1191 2.228,1192 4.525,1193 0.11,1194 0.036,1195 4.525,1196 1.46,1197 3.046,1198 0.068,1199 0.019,1200 3.046,1201 0.843,1202 0.614,1203 43.206,1204 0.327,1205 13.408,1206 1.47,1207 74,1208 278.739,1209 87.309,1210 261.246,1211 350.78,1212 242,1213 91,1214 258.399,1215 105.781,1216 256.934,1217 382.56,1218 240,1219 4.595} {0 CHEMBL39986,1 1.784,2 5.429,3 0.083,4 0.007,5 47.503,6 8.093,7 0.333,8 3.326,9 3.46,10 2.946,11 2.712,12 4.525,13 2.757,14 3.85,15 4.041,16 3.318,17 3.084,18 5.079,19 3.099,20 4.027,21 4.245,22 3.343,23 3.105,24 5.294,25 3.129,26 3.986,27 4.178,28 3.258,29 2.981,30 5.553,31 3.016,32 3.773,33 3.97,34 2.745,35 2.73,36 5.192,37 2.71,38 3.494,39 3.731,40 2.036,41 2.418,42 4.644,43 2.303,44 3.065,45 3.393,46 1.458,47 2.014,48 3.761,49 1.806,50 2.528,51 2.865,52 0.556,53 1.434,54 3.114,55 1.161,56 0.1,57 0.383,58 4.421,59 1.443,60 7.489,61 2.225,62 0.325,63 0.557,64 9.133,65 2.697,66 17.467,67 4.124,68 0.371,69 0.554,70 12.213,71 3.059,72 39.906,73 4.807,74 0.547,75 0.47,76 12.013,77 2.742,78 73.6,79 4.083,80 0.412,81 0.348,82 9.971,83 2.293,84 55.665,85 3.226,86 0.314,87 0.254,88 7.905,89 1.664,90 43.938,91 2.544,92 0.134,93 0.163,94 5.501,95 1.247,96 12.758,97 2.306,98 0.078,99 0.077,100 3.224,101 0.727,102 5.478,103 1.354,104 12,105 21,106 0.365,107 0.737,108 0.864,109 0.864,110 0.864,111 0.864,112 2.736,113 0.88,114 -1.56,115 -1.63,116 -1.67,117 33.3,118 1,119 1,123 1,133 1,139 1,140 1,141 1,142 1,150 1,152 2,153 1,155 3,156 1,161 2,162 1,164 1,170 1,171 2,174 4,176 1,182 1,183 3,188 1,193 1,198 1,208 1,231 140,232 9.422,233 9.422,234 9.422,235 9.422,236 9.422,237 8.603,238 12.384,239 5.569,240 9.671,241 7.338,242 7.338,243 7.338,244 7.338,245 7.338,246 5.981,247 16.277,248 2.509,249 7.71,250 2.801,251 0.985,252 0.365,253 0.365,254 0.365,255 0.365,256 3.372,261 1,262 158,263 2.121,265 26.902,266 30.609,269 48.15,270 0.918,271 20.299,274 0.83,275 0.83,276 0.8,278 1,279 1,280 0.78,281 32,282 76,283 4.475,284 3.908,285 6.748,286 4.154,287 3.194,288 4.034,289 1.725,290 10.921,291 3.061,292 3.794,293 3.327,294 5.932,295 3.433,296 2.491,297 3.07,298 1.058,299 8.139,300 2.342,301 3.374,302 2.694,303 5.175,304 2.999,305 2.011,306 2.531,307 0.214,308 5.974,309 1.965,310 2.603,311 1.935,312 3.89,313 2.333,314 1.35,315 1.631,317 2.886,318 1.321,319 2.472,320 1.388,321 3.635,322 2.033,323 1.106,324 1.424,326 2.542,327 1.021,328 2.221,329 1.041,330 3.335,331 1.731,332 0.779,333 1.057,335 1.776,336 0.735,337 1.571,338 0.939,339 2.807,340 1.246,341 0.222,342 0.275,343 0.414,344 0.224,345 1.03,346 0.325,347 2.433,348 0.611,349 -0.374,350 -0.479,351 -0.928,352 -0.362,353 0.401,354 -0.336,355 1.797,356 0.203,357 -0.811,358 -0.894,359 -1.407,360 -0.81,361 0.133,362 -0.787,363 1.573,364 -0.175,365 -1.169,366 -1.589,367 -2.848,368 -1.159,369 -0.053,370 -0.89,371 1.478,372 -0.473,373 -1.466,374 -1.868,376 -4.141,377 -1.433,378 -0.221,379 -1.544,380 1.336,381 -0.683,382 -1.629,383 -2,385 -4.566,386 -1.57,387 -0.533,388 -1.55,389 1.108,390 -0.813,391 -1.755,392 -2.033,393 -0.64,394 -5.518,395 -1.663,396 -0.826,397 -1.763,398 0.511,399 -1.026,400 -1.949,401 -2.488,402 -1.058,403 -5.731,404 -1.783,405 -0.943,406 -1.887,407 0.241,408 -1.074,409 -2,410 -2.672,411 -1.299,412 -7.513,413 -1.889,414 6.267,415 0.448,416 0.35,417 0.025,418 17.75,419 1.268,420 7.5,421 0.536,422 10.25,423 0.732,424 8.542,425 0.61,426 15.933,427 0.664,428 10.966,429 0.783,430 3.499,431 0.25,432 3.238,433 0.231,434 0.186,436 0.383,437 0.792,438 1.855,439 0.71,440 1.306,441 0.532,442 1.008,443 0.47,444 1.035,445 0.692,446 0.971,447 0.511,448 0.899,449 0.892,450 1.081,451 0.731,452 1.014,453 0.882,454 0.845,455 1.152,456 0.88,457 0.976,458 0.927,459 1.319,460 0.913,461 1.738,462 0.936,463 1.434,464 1.053,465 1.901,466 1.174,467 1.698,468 0.83,469 1.713,470 0.986,471 1.715,472 1.321,473 0.478,474 0.77,475 1.044,476 0.962,477 0.181,478 1.104,479 0.465,480 0.756,481 1.198,482 1.13,483 0.18,484 1.311,485 2.5,487 2,488 1.313,489 1.076,490 0.25,491 0.096,492 0.041,495 1132,496 3782,497 1.993,498 41.7,499 3,500 2,502 1,503 2,505 2,507 1.516,508 1.826,509 2.485,510 0.686,515 42.82,516 1.784,517 3.599,518 4.22,519 4.22,520 4.22,521 4.22,522 1.959,523 3.522,524 3.779,525 2.537,526 230.851,527 6.332,528 1772.91,530 1,533 110.039,534 1.531,535 3.714,536 0.167,538 0.095,539 0.063,540 0.06,541 0.025,542 0.024,543 0.02,546 0.453,547 0.67,548 1,549 1.292,550 51.371,551 -0.149,552 -0.533,553 0.028,554 -0.196,555 -0.042,556 -0.051,557 0.286,558 0.127,559 0.164,560 0.036,561 0.081,562 0.049,563 0.03,564 -0.099,565 0.221,566 -0.048,567 0.013,568 0.119,569 0.115,570 0.049,571 0.018,572 -0.01,573 0.11,574 -0.017,575 -0.411,576 -0.067,577 -0.434,578 -0.12,579 -0.306,580 -0.268,581 -0.553,582 0.005,583 -0.706,584 -0.091,585 -0.448,586 -0.403,587 0.042,588 0.011,589 -0.018,590 -0.037,591 0.086,592 -0.029,593 0.058,594 -0.047,595 -0.143,596 -0.225,597 0.074,598 -0.226,599 2.061,600 4.661,601 0.643,602 6.714,603 1.03,604 1.152,605 0.33,606 0.109,607 0.634,608 2.773,609 3.091,610 3.401,611 3.664,612 3.738,613 3.738,614 3.638,615 3.497,616 2.89,617 2.079,618 3.426,619 0.629,620 194.22,621 2.773,622 4.29,623 5.153,624 6.043,625 6.927,626 7.822,627 8.712,628 9.609,629 10.5,630 11.397,631 16.7,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 24,649 7,651 15,652 25,653 8,654 3,657 1,659 2,660 3,662 1,663 1,668 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,683 2,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 1,715 14,719 2,720 1,723 1,729 8.3,732 2,735 7.667,736 4.567,737 3.194,738 1.546,739 1.201,740 1.211,741 0.962,742 2.252,743 6.901,744 3.02,745 3.534,746 4.067,747 4.583,748 4.707,749 4.962,750 5.015,751 5.051,752 4.788,753 3.841,754 0.75,755 21,756 5.173,757 0.002,758 2.221,759 8.19,760 9.451,761 0.001,762 7.475,763 -0.001,764 2.69,765 37.667,766 0.003,769 94.169,770 36.149,771 54.706,773 50.29,775 36.149,776 144.459,777 54.706,778 8.825,779 25.775,781 92.17,782 21.87,783 4.276,784 82.398,786 94.169,787 90.855,788 50.29,790 70.627,791 73.832,793 65.089,794 8.98,795 16.786,797 94.169,798 104.996,799 36.149,801 94.169,802 18.705,803 20.568,804 34.796,805 67.075,806 94.169,807 104.996,808 36.149,809 0.573,810 0.359,811 0.208,812 0.102,813 11,814 5,815 0.08,816 2,817 1,818 1.222,819 2.542,820 89.968,821 0.222,822 9,823 53.303,825 9.214,826 3.422,827 1.431,829 88.21,830 1.387,831 3.843,832 2.691,833 0.658,835 34.796,836 235.314,837 19.5,840 23.062,842 -0.736,843 24.713,844 27.658,845 0.389,846 0.785,847 0.92,848 0.92,849 0.92,850 0.92,851 4.252,852 -0.374,853 5.153,854 0.414,855 3.761,856 4.212,857 2.123,858 6.014,859 3.67,860 5.442,861 -0.811,862 6.749,863 -0.928,864 3.434,865 4.06,866 1.305,867 7.029,868 3.33,869 6.751,870 -1.169,871 8.451,872 -1.407,873 5.389,874 6.31,875 2.734,876 10.166,877 5.2,878 8.1,879 -1.466,880 10.214,881 -2.848,882 5.916,883 7.033,884 2.523,885 11.985,886 5.711,887 9.486,888 -1.629,889 12.015,890 -4.141,891 7.349,892 8.738,893 3.557,894 14.645,895 7.072,896 10.896,897 -1.755,898 13.839,899 -4.566,900 8.241,901 9.838,902 3.693,903 16.781,904 7.941,905 12.323,906 -1.949,907 15.68,908 -5.518,909 9.489,910 11.346,911 4.508,912 19.278,913 9.13,914 3.194,915 -2,916 17.533,917 -5.731,918 10.536,919 12.61,920 4.834,921 21.551,922 10.147,923 2.491,924 10.921,925 19.395,926 -7.513,927 11.72,928 14.045,929 5.528,930 23.986,931 11.281,932 2.011,933 8.139,934 21.265,935 4.034,936 12.83,937 15.381,938 5.956,939 26.321,940 12.356,941 1.35,942 5.974,943 23.14,944 3.07,945 13.995,946 16.789,947 6.583,948 28.73,949 13.475,950 1.106,951 2.886,952 25.02,953 2.531,954 15.132,955 18.156,956 7.065,957 31.094,958 14.574,959 0.779,960 2.542,961 26.904,962 1.631,963 16.291,964 19.555,965 7.656,966 33.492,967 15.69,968 0.222,969 1.776,970 28.791,971 1.424,972 17.441,973 20.937,974 8.166,975 35.869,976 16.8,977 1219,978 2317,979 9.652,980 15.216,981 22.824,982 24.117,983 23.846,984 22.327,985 22.307,986 28.047,987 5.995,988 65.303,989 21.339,990 5.418,991 5.795,992 6.507,993 5.229,994 5.194,995 6.706,996 3.025,997 18.434,998 4.95,999 6.918,1000 1.522,1001 1.608,1002 1.59,1003 1.488,1004 1.487,1005 1.87,1006 0.4,1007 4.354,1008 1.423,1009 3.994,1010 4.048,1011 3.964,1012 3.769,1013 7.445,1014 3.812,1015 3.63,1016 3.707,1017 3.509,1018 3.444,1019 7.412,1020 3.44,1021 3.329,1022 3.391,1023 3.2,1024 3.041,1025 4.954,1026 3.083,1027 3.047,1028 3.073,1029 3.012,1030 2.704,1031 4.151,1032 2.779,1033 2.771,1034 2.869,1035 2.501,1036 2.513,1037 3.87,1038 2.493,1039 2.408,1040 2.474,1041 2.277,1042 2.13,1043 3.608,1044 2.151,1045 2.157,1046 2.298,1047 2.017,1048 1.731,1049 3.349,1050 1.769,1051 2.048,1052 2.196,1053 1.605,1054 1.641,1055 2.769,1056 1.625,1057 0.298,1058 0.261,1059 0.45,1060 0.277,1061 0.213,1062 4.475,1063 0.269,1064 3.908,1065 0.115,1066 6.748,1067 0.728,1068 4.154,1069 0.204,1070 3.194,1071 4.034,1072 1.725,1073 10.921,1074 3.061,1075 1.733,1076 1.686,1077 1.932,1078 1.975,1079 1.177,1080 1.945,1081 1.524,1082 1.457,1083 1.681,1084 1.753,1085 0.743,1086 1.757,1087 1.33,1088 1.248,1089 1.495,1090 1.633,1091 0.501,1092 1.601,1093 0.993,1094 0.934,1095 1.306,1096 1.269,1097 0.341,1098 1.272,1099 0.795,1100 0.739,1101 0.953,1102 1.165,1104 1.109,1105 0.528,1106 0.474,1107 0.814,1108 0.895,1110 0.859,1111 0.117,1113 0.636,1114 0.532,1116 0.599,1119 0.323,1120 0.385,1122 0.357,1123 3.434,1125 4.745,1126 2.398,1127 6.271,1128 4.595,1129 7.909,1130 6.605,1131 9.608,1132 1.903,1136 1.149,1137 2.553,1140 1.156,1144 15.096,1145 42.82,1146 86.388,1147 101.284,1148 101.284,1149 101.284,1150 101.284,1151 23.388,1152 5.7,1153 83.54,1154 83.54,1155 11,1156 11.922,1157 3,1158 2.459,1159 21.149,1160 30,1161 30,1162 0.403,1163 96.182,1164 162.36,1165 226.445,1166 1553,1168 10.129,1169 0.724,1170 0.55,1171 10.129,1172 7.702,1173 6.736,1174 0.449,1175 0.293,1176 4.295,1177 6.322,1178 4.224,1179 3.537,1180 6.736,1181 4.399,1182 5.879,1183 0.28,1184 0.143,1185 5.879,1186 3.013,1187 5.096,1188 0.176,1189 0.069,1190 5.096,1191 2.011,1192 4.419,1193 0.116,1194 0.036,1195 4.419,1196 1.373,1197 3.034,1198 0.074,1199 0.019,1200 3.034,1201 0.791,1202 0.576,1203 43.427,1204 0.322,1205 13.726,1206 1.278,1207 72,1208 271.427,1209 84.949,1210 255.017,1211 340.4,1212 236,1213 86,1214 248.484,1215 99.45,1216 246.07,1217 364.85,1218 231,1219 4.631} {0 CHEMBL415248,1 1.754,2 7.2,3 1.074,4 1.154,5 69.435,6 8.509,7 0.5,8 3.62,9 3.729,10 3.285,11 3.083,12 4.885,13 3.124,14 4.111,15 4.273,16 3.7,17 3.473,18 5.376,19 3.506,20 4.291,21 4.426,22 3.829,23 3.575,24 5.706,25 3.619,26 4.437,27 4.604,28 3.724,29 3.514,30 5.97,31 3.541,32 4.253,33 4.466,34 3.359,35 3.371,36 5.491,37 3.333,38 4.051,39 4.282,40 3.171,41 3.184,42 5.195,43 3.138,44 3.85,45 4.007,46 3.207,47 3.039,48 5.371,49 3.049,50 3.868,51 4.053,52 2.782,53 2.883,54 5.352,55 2.817,56 0.134,57 0.517,58 5.141,59 2.372,60 11.793,61 2.752,62 0.377,63 0.802,64 10.468,65 3.835,66 15.652,67 4.862,68 0.349,69 0.903,70 11.742,71 4.827,72 32.325,73 5.709,74 0.855,75 0.908,76 16.948,77 4.629,78 106.573,79 5.37,80 0.471,81 0.768,82 14.587,83 4.442,84 53.462,85 5.784,86 0.379,87 0.603,88 12.994,89 4.117,90 43.127,91 5.6,92 0.339,93 0.498,94 8.766,95 3.266,96 38.211,97 3.939,98 0.431,99 0.438,100 10.27,101 3.429,102 59.83,103 4,104 26,105 33,106 0.326,107 0.712,108 0.77,109 0.828,110 0.875,111 0.875,112 3.06,113 0.811,114 -2.55,115 -2.58,116 -2.52,117 40.6,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,150 4,152 4,153 1,155 2,157 3,158 4,161 3,162 1,166 3,167 2,170 2,171 3,174 4,175 1,176 3,182 1,183 4,188 1,193 5,196 1,203 6,206 2,212 4,215 1,222 1,231 386,232 13.121,233 13.121,234 13.121,235 13.121,236 13.121,237 11.638,238 13.583,239 7.346,240 13.423,241 10.755,242 10.755,243 10.755,244 10.755,245 10.755,246 8.325,247 15.7,248 3.429,249 11.225,250 3.246,251 1.172,252 0.86,253 0.547,254 0.297,255 0.297,256 3.728,261 1,262 306,263 2.121,265 36.168,266 105.656,269 70.633,270 1.1,271 30.622,274 1,275 1,276 0.4,278 1,279 1,280 0.77,281 45,282 144,283 4.616,284 3.968,285 6.944,286 4.277,287 3.326,288 4.264,289 1.761,290 11.581,291 3.16,292 4.269,293 3.385,294 6.443,295 3.912,296 2.944,297 3.803,298 1.083,299 9.886,300 2.848,301 3.787,302 3.106,303 5.929,304 3.387,305 2.434,306 3.122,307 0.526,308 7.941,309 2.319,310 3.576,311 2.781,312 5.845,313 3.285,314 2.324,315 2.75,316 0.064,317 7.555,318 2.213,319 3.208,320 2.104,321 4.996,322 2.809,323 1.852,324 2.425,326 5.448,327 1.766,328 2.86,329 1.662,330 4.029,331 2.392,332 1.414,333 2.015,335 3.111,336 1.376,337 2.559,338 1.588,339 3.939,340 2.059,341 1.08,342 1.57,343 2.746,344 1.052,345 2.333,346 1.49,347 3.638,348 1.809,349 0.872,350 1.205,351 2.544,352 0.809,353 1.942,354 1.014,355 3.552,356 1.544,357 0.544,358 0.708,359 1.36,360 0.536,361 1.69,362 0.808,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 1.094,370 0.097,371 2.534,372 0.715,373 -0.217,374 -0.27,376 -0.485,377 -0.199,378 0.632,379 -0.431,380 2,381 0.175,382 -0.81,383 -1.104,385 -1.984,386 -0.794,387 0.36,388 -0.471,389 2,390 -0.023,391 -1,392 -1.204,394 -2.768,395 -0.947,396 0.077,397 -0.755,398 1.765,399 -0.264,400 -1.256,401 -1.485,403 -3.057,404 -1.249,406 -0.942,407 1.718,408 -0.374,409 -1.341,410 -1.733,412 -3.459,413 -1.269,414 9.1,415 0.455,416 0.669,417 0.033,418 28.25,419 1.413,420 14,421 0.7,422 14.25,423 0.713,424 12.573,425 0.629,426 21.5,427 0.672,428 21.016,429 1.051,430 5.835,431 0.292,432 3.668,433 0.183,434 0.22,436 0.473,437 0.841,438 1.559,439 0.686,440 1.101,441 0.676,442 0.889,443 0.574,444 0.842,445 0.599,446 0.705,447 0.557,448 0.652,449 0.917,450 1.426,451 0.782,452 1.298,453 0.89,454 1.062,455 1.378,456 0.931,457 1.261,458 0.861,459 1.479,460 0.996,461 1.074,462 0.981,463 1.201,464 1.026,465 0.934,466 1.104,467 0.863,468 0.823,469 0.9,470 0.868,471 0.871,472 0.884,473 0.939,474 1.081,475 0.946,476 1.21,477 0.924,478 1.105,479 1.41,480 0.979,481 1.485,482 1.273,483 1.459,484 1.398,485 4,487 3.333,488 2.097,489 1.584,490 0.772,491 0.454,492 0.317,493 0.105,494 0.031,495 3287,496 11040,497 2.018,498 37.5,500 10,503 2,507 1.623,508 1.818,509 2.864,510 0.459,512 1,514 1,515 56.12,516 1.754,517 3.828,518 4.14,519 4.453,520 4.703,521 4.703,522 2.226,523 3.446,524 4.297,525 2.962,526 562.801,527 7.364,528 5545.11,529 1,530 1,533 160,534 1.539,535 4.214,536 0.182,538 0.101,539 0.058,540 0.053,541 0.037,542 0.025,543 0.018,544 0.011,545 0.016,546 0.5,547 0.67,548 1,549 0.716,550 86.08,551 -0.147,552 -0.366,553 0.018,554 -0.095,555 -0.115,556 -0.013,557 0.177,558 0.318,559 0.222,560 0.245,561 0.034,562 0.243,563 -0.013,564 -0.343,565 0.044,566 -0.32,567 0.005,568 -0.167,569 -0.085,570 0.077,571 -0.284,572 0.02,573 -0.093,574 -0.154,575 -0.183,577 -0.225,578 -0.086,579 -0.11,580 -0.137,581 -0.018,582 0.081,583 0.132,584 0.128,585 -0.033,586 0.171,587 0.119,588 -0.117,589 -0.012,590 -0.212,591 0.183,592 -0.151,593 -0.167,594 -0.14,595 -0.444,596 -0.28,597 -0.067,598 -0.411,599 2.138,600 5.036,601 0.75,602 12.23,603 1.029,604 1.134,605 1.324,606 1.753,607 0.67,608 3.135,609 3.526,610 3.871,611 4.127,612 4.344,613 4.477,614 4.564,615 4.635,616 4.595,617 4.477,618 4.481,619 0.667,620 272.29,621 3.135,622 4.71,623 5.602,624 6.512,625 7.421,626 8.337,627 9.253,628 10.173,629 11.091,630 12.013,631 12.5,634 2,635 1,637 4,638 1,639 1,640 5,642 11,646 1,648 32,649 13,650 1,651 22,652 34,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,679 1,680 1,681 12,682 6,683 2,684 7,686 1,687 4,688 1,689 0.667,690 3,698 1,699 2,711 2,713 2,715 20,718 1,723 2,729 9.4,731 1,732 2,735 11,736 6.467,737 4.306,738 1.708,739 2.244,740 1.33,741 0.966,742 2.85,743 9.044,744 3.418,745 4.039,746 4.66,747 5.217,748 5.67,749 6.033,750 6.39,751 6.706,752 6.958,753 7.121,754 0.8,755 36,756 7.4,758 3.282,759 8.158,760 13.453,762 10.962,764 2.658,765 53.167,769 117.711,770 74.276,771 39.82,773 92.973,775 74.276,776 210.684,777 39.82,778 16.793,779 6.249,780 37.905,781 116.791,782 25.056,783 4.276,784 117.711,786 117.711,787 114.096,788 92.973,790 117.711,791 92.973,793 30.447,794 66.864,795 16.786,797 117.711,798 132.793,799 74.276,801 117.711,802 19.579,803 60.946,804 16.786,805 109.759,806 117.711,807 132.793,808 74.276,809 0.605,810 0.381,811 0.195,812 0.101,813 18,814 9,815 0.029,816 1,817 1,818 1.133,819 3.066,820 159.918,821 0.133,822 15,823 86.439,825 12.844,826 4.438,827 1.849,829 116.007,830 6.644,831 4.198,832 2.908,833 1.354,835 59.469,836 324.78,837 29.5,840 23.88,842 -0.906,843 32.924,844 36.282,845 0.351,846 0.766,847 0.828,848 0.891,849 0.941,850 0.941,851 4.689,852 0.872,853 5.638,854 2.746,855 4.205,856 4.723,857 2.197,858 6.538,859 4.119,860 5.927,861 0.544,862 7.269,863 2.544,864 4.007,865 4.649,866 1.404,867 7.597,868 3.871,869 7.263,870 0.177,871 8.999,872 1.36,873 5.894,874 6.925,875 2.804,876 10.752,877 5.717,878 8.636,879 -0.217,880 10.782,881 0.391,882 6.494,883 7.657,884 2.647,885 12.582,886 6.264,887 10.04,888 -0.81,889 12.598,890 -0.485,891 7.901,892 9.429,893 3.665,894 15.279,895 7.631,896 11.466,897 -1,898 14.435,899 -1.984,900 8.832,901 10.522,902 3.851,903 17.428,904 8.508,905 12.909,906 -1.256,907 16.288,908 -2.768,909 10.08,910 12.1,911 4.661,912 19.966,913 9.712,914 3.326,915 -1.341,916 18.151,917 -3.057,918 11.152,919 13.365,920 5.029,921 22.263,922 10.731,923 2.944,924 11.581,925 20.024,926 -3.459,927 12.348,928 14.86,929 5.726,930 24.739,931 11.881,932 2.434,933 9.886,934 21.903,935 4.264,936 13.482,937 16.209,938 6.188,939 27.107,940 12.962,941 2.324,942 7.941,943 23.789,944 3.803,945 14.665,946 17.67,947 6.825,948 29.559,949 14.096,950 1.852,951 7.555,952 25.68,953 3.122,954 15.827,955 19.062,956 7.336,957 31.964,958 15.205,959 1.414,960 5.448,961 27.576,962 2.75,963 17.009,964 20.508,965 7.94,966 34.408,967 16.336,968 1.08,969 3.111,970 29.475,971 2.425,972 18.185,973 21.922,974 8.477,975 36.831,976 17.459,977 3291,978 6128,979 14.046,980 21.432,981 34.861,982 36.486,983 36.631,984 34.071,985 33.932,986 44.198,987 6.869,988 105.128,989 32.512,990 5.561,991 5.968,992 6.629,993 5.35,994 5.326,995 7.264,996 3.071,997 19.581,998 5.16,999 11.586,1000 1.585,1001 1.658,1002 1.665,1003 1.549,1004 1.542,1005 2.009,1006 0.312,1007 4.779,1008 1.478,1009 4.059,1010 4.102,1011 4.035,1012 3.912,1013 7.444,1014 3.932,1015 3.826,1016 3.856,1017 3.776,1018 3.682,1019 7.411,1020 3.707,1021 3.476,1022 3.544,1023 3.413,1024 3.211,1025 6.469,1026 3.252,1027 3.271,1028 3.358,1029 3.146,1030 2.999,1031 4.93,1032 3.013,1033 2.955,1034 2.99,1035 2.841,1036 2.763,1037 4.566,1038 2.771,1039 2.921,1040 2.967,1041 2.785,1042 2.745,1043 4.071,1044 2.742,1045 2.795,1046 2.831,1047 2.584,1048 2.499,1049 3.919,1050 2.516,1051 2.743,1052 2.804,1053 2.571,1054 2.456,1055 3.597,1056 2.49,1057 0.21,1058 0.18,1059 0.316,1060 0.194,1061 0.151,1062 4.616,1063 0.194,1064 3.968,1065 0.08,1066 6.944,1067 0.526,1068 4.277,1069 0.144,1070 3.326,1071 4.264,1072 1.761,1073 11.581,1074 3.16,1075 1.895,1076 1.873,1077 1.995,1078 2,1079 1.077,1080 1.995,1081 1.714,1082 1.672,1083 1.82,1084 1.963,1085 0.902,1086 1.922,1087 1.331,1088 1.26,1089 1.608,1090 1.614,1091 0.664,1092 1.604,1093 1.187,1094 1.099,1095 1.413,1096 1.455,1097 0.474,1098 1.461,1099 1.123,1100 1.055,1101 1.342,1102 1.373,1103 0.378,1104 1.37,1105 0.883,1106 0.84,1107 1.142,1108 1.147,1109 0.159,1110 1.132,1111 0.689,1112 0.632,1113 0.939,1114 1.035,1116 0.985,1117 0.664,1118 0.626,1119 0.791,1120 0.953,1122 0.949,1123 3.807,1125 5.176,1126 2.398,1127 6.751,1128 4.727,1129 8.42,1130 6.88,1131 10.138,1132 2.954,1135 9.825,1140 2.311,1144 21.337,1145 56.12,1146 122.49,1147 132.49,1148 142.49,1149 150.49,1150 150.49,1151 39.164,1152 6.799,1153 92.91,1154 92.91,1155 17,1156 12.521,1157 3.807,1158 3.087,1159 29.793,1160 56,1161 46,1162 0.288,1163 131.965,1164 226.47,1165 313.754,1166 6632,1168 14.439,1169 0.722,1170 0.546,1171 14.439,1172 10.915,1173 9.503,1174 0.432,1175 0.27,1176 5.811,1177 8.998,1178 5.644,1179 4.701,1180 9.503,1181 5.945,1182 8.921,1183 0.27,1184 0.137,1185 8.921,1186 4.506,1187 8.322,1188 0.177,1189 0.069,1190 8.322,1191 3.26,1192 6.486,1193 0.106,1194 0.035,1195 6.486,1196 2.124,1197 4.949,1198 0.065,1199 0.017,1200 4.949,1201 1.321,1202 0.427,1203 60.81,1204 0.267,1205 19.257,1206 0.864,1207 110,1208 382.889,1209 125.746,1210 365.403,1211 494.11,1212 338,1213 135,1214 366.711,1215 152.607,1216 369.249,1217 547.48,1218 345,1219 5.77} {0 CHEMBL416013,1 1.735,2 5.067,3 0.114,4 0.013,5 52.623,6 7.713,7 0.313,8 3.424,9 3.56,10 3.013,11 2.808,12 4.584,13 2.839,14 3.971,15 4.181,16 3.398,17 3.178,18 5.119,19 3.19,20 4.134,21 4.349,22 3.519,23 3.267,24 5.365,25 3.302,26 4.166,27 4.314,28 3.516,29 3.274,30 5.746,31 3.31,32 4.186,33 4.402,34 2.952,35 3.146,36 5.461,37 3.075,38 3.883,39 4.166,40 2.164,41 2.83,42 4.812,43 2.609,44 3.562,45 3.933,46 0.99,47 2.216,48 4.256,49 1.853,50 2.661,51 3.13,52 0.101,53 1.155,54 2.773,55 0.713,56 0.076,57 0.422,58 5.371,59 1.709,60 5.881,61 2.754,62 0.355,63 0.621,64 11.266,65 2.92,66 15.905,67 4.772,68 0.347,69 0.659,70 13.751,71 3.388,72 31.905,73 5.444,74 0.557,75 0.645,76 13.632,77 3.438,78 71.021,79 4.948,80 0.574,81 0.554,82 15.614,83 3.367,84 75.911,85 5.133,86 0.273,87 0.383,88 11.782,89 3.243,90 33.551,91 5.26,92 0.249,93 0.189,94 10.148,95 2.315,96 31.587,97 4.102,98 0.097,99 0.048,100 4.672,101 0.923,102 12.017,103 1.861,104 21,105 23,106 0.345,107 0.643,108 0.744,109 0.759,110 0.803,111 0.847,112 2.799,113 0.913,114 -1.88,115 -1.94,116 -1.94,117 33.3,118 2,123 2,133 1,139 1,140 1,141 1,142 1,152 4,153 2,155 2,161 3,170 2,171 5,174 3,176 1,182 1,183 2,193 1,198 1,201 1,231 145,232 10.138,233 10.138,234 10.138,235 10.138,236 10.138,237 9.368,238 14.589,239 5.699,240 10.502,241 7.695,242 7.695,243 7.695,244 7.695,245 7.695,246 6.376,247 18.073,248 2.418,249 8.167,250 3.02,251 1.527,252 1.019,253 0.945,254 0.723,255 0.5,256 3.433,261 1,262 155,263 2.236,265 28.004,266 33.347,269 51.563,270 0.622,271 21.714,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 34,282 76,283 4.561,284 3.983,285 6.978,286 4.262,287 3.311,288 4.094,289 1.761,290 11.76,291 3.144,292 3.801,293 3.39,294 6.022,295 3.425,296 2.482,297 3.096,298 1.083,299 8.327,300 2.347,301 3.614,302 2.862,303 5.939,304 3.353,305 2.39,306 2.771,307 0.526,308 7.966,309 2.273,310 2.705,311 1.895,312 4.124,313 2.26,314 1.311,315 1.74,316 0.064,317 3.038,318 1.234,319 2.379,320 1.858,321 3.955,322 1.969,323 1,324 1.296,326 2.562,327 0.957,328 2.143,329 1.035,330 3.346,331 1.783,332 0.822,333 0.98,335 1.607,336 0.786,337 2.032,338 0.963,339 3.15,340 1.598,341 0.618,342 0.821,343 1.231,344 0.598,345 1.016,346 0.372,347 2.404,348 0.829,349 -0.162,350 -0.183,351 -0.252,352 -0.159,353 1,354 0.157,355 2.346,356 0.696,357 -0.344,358 -0.428,359 -0.581,360 -0.352,361 0.266,362 -0.662,363 2,364 -0.099,365 -1.094,366 -1.391,367 -2.604,368 -1.07,369 -0.052,370 -0.773,371 1.507,372 -0.449,373 -1.456,374 -1.753,376 -3.904,377 -1.428,378 -0.176,379 -1.229,380 1.417,381 -0.6,382 -1.54,383 -1.84,385 -4.159,386 -1.482,387 -0.387,388 -1.438,389 1.292,390 -0.677,391 -1.618,392 -2,393 -0.4,394 -4.834,395 -1.538,396 -0.7,397 -1.551,398 0.545,399 -0.844,400 -1.772,401 -2.034,402 -0.66,403 -5.964,404 -1.645,405 -0.756,406 -1.775,407 0.494,408 -1.031,409 -1.948,410 -2.492,411 -1.065,412 -6.194,413 -1.777,414 6.767,415 0.451,416 0.384,417 0.026,418 18.5,419 1.233,420 7.5,421 0.5,422 11,423 0.733,424 10.322,425 0.688,426 17.233,427 0.638,428 12.063,429 0.804,430 3.66,431 0.244,432 3.542,433 0.236,434 0.246,436 0.414,437 0.749,438 1.998,439 0.729,440 1.43,441 0.525,442 1.107,443 0.537,444 0.98,445 0.668,446 0.823,447 0.523,448 0.77,449 0.912,450 1.036,451 0.634,452 0.872,453 0.849,454 0.688,455 1.386,456 1.209,457 1.155,458 1.194,459 1.555,460 1.141,461 1.814,462 0.838,463 1.64,464 0.987,465 1.855,466 1.244,467 0.819,468 1.004,469 1.339,470 1.346,471 0.748,472 1.459,473 0.657,474 0.544,475 0.906,476 0.782,477 0.711,478 0.905,485 2.5,487 2.444,488 1.681,489 1.352,490 0.476,491 0.056,495 1251,496 4001,497 1.955,498 44.4,500 4,502 1,503 1,505 6,507 1.544,508 1.765,509 2.393,510 -0.069,515 46.833,516 1.735,517 3.228,518 3.736,519 3.81,520 4.032,521 4.255,522 1.566,523 3.057,524 3.881,525 2.416,526 253.684,527 6.563,528 2100.03,530 1,533 128.382,534 1.566,535 3.796,536 0.156,538 0.106,539 0.065,540 0.056,541 0.04,542 0.014,546 0.437,547 0.67,548 1,549 1.157,550 56.033,551 -0.094,552 -0.657,553 0.055,554 -0.286,555 -0.037,556 -0.107,557 0.266,558 0.171,559 0.235,560 0.151,561 0.063,562 0.174,563 0.037,564 0.014,565 0.314,566 0.099,567 0.041,568 0.265,569 -0.003,570 -0.116,571 -0.21,572 -0.212,573 0.061,574 -0.258,575 -0.511,576 0.091,577 -0.648,578 -0.088,579 -0.365,580 -0.363,581 -0.115,582 -0.15,583 -0.389,584 -0.361,585 -0.086,586 -0.434,587 0.077,588 0.002,589 0.182,590 0.106,591 -0.013,592 0.157,593 0.506,594 0.265,595 1.212,596 0.815,597 0.339,598 1.148,599 1.997,600 4.842,601 0.6,602 6.933,603 1.022,604 1.151,605 0.647,606 0.419,607 0.629,608 2.833,609 3.178,610 3.555,611 3.829,612 3.912,613 3.951,614 3.784,615 3.584,616 2.996,617 2.398,618 3.338,619 0.616,620 208.25,621 2.833,622 4.369,623 5.263,624 6.172,625 7.081,626 7.995,627 8.907,628 9.822,629 10.735,630 11.65,631 14.8,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 27,649 7,651 16,652 28,653 9,654 3,657 1,659 2,660 3,662 1,663 2,670 5,671 4,673 2,676 2,678 2,680 1,681 12,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 15,719 2,723 2,729 7.4,732 2,735 8.5,736 5.517,737 3.5,738 1.871,739 1.185,740 1.203,741 0.946,742 2.485,743 7.029,744 3.068,745 3.59,746 4.18,747 4.699,748 4.852,749 5.137,750 5.146,751 5.182,752 4.937,753 4.202,754 0.5,755 26,756 5.559,757 -0.001,758 2.372,759 8.111,760 10.233,762 8.078,764 2.611,765 39.167,766 0.002,769 129.482,770 44.546,771 39.82,773 50.29,775 44.546,776 179.772,777 39.82,778 17.65,779 10.46,781 92.17,782 21.87,783 4.276,784 117.711,786 129.482,787 84.365,788 50.29,790 58.856,791 120.916,793 58.599,794 8.98,795 16.786,797 129.482,798 90.11,799 44.546,801 129.482,802 18.277,803 32.518,804 16.786,805 67.075,806 129.482,807 90.11,808 44.546,809 0.578,810 0.395,811 0.229,812 0.104,813 12,814 6,815 0.071,816 2,817 1,818 1.222,819 2.541,820 102.436,821 0.222,822 9,823 58.603,825 10.177,826 3.663,827 1.346,829 73.324,830 1.428,831 3.928,832 2.811,833 0.815,835 16.786,836 264.137,837 20.5,840 23.619,842 -0.62,843 27.596,844 31.073,845 0.365,846 0.679,847 0.786,848 0.801,849 0.848,850 0.895,851 4.321,852 -0.162,853 5.283,854 1.231,855 3.85,856 4.27,857 2.197,858 6.201,859 3.745,860 5.521,861 -0.344,862 6.921,863 -0.252,864 3.611,865 4.159,866 1.404,867 7.338,868 3.476,869 6.846,870 -1.094,871 8.662,872 -0.581,873 5.541,874 6.387,875 2.804,876 10.493,877 5.324,878 8.213,879 -1.456,880 10.462,881 -2.604,882 6.155,883 7.151,884 2.647,885 12.401,886 5.906,887 9.615,888 -1.54,889 12.295,890 -3.904,891 7.569,892 8.838,893 3.665,894 15.102,895 7.249,896 11.042,897 -1.618,898 14.15,899 -4.159,900 8.525,901 9.967,902 3.851,903 17.315,904 8.167,905 12.486,906 -1.772,907 16.021,908 -4.834,909 9.777,910 11.47,911 4.661,912 19.87,913 9.356,914 3.311,915 -1.948,916 17.902,917 -5.964,918 10.872,919 12.755,920 5.029,921 22.219,922 10.407,923 2.482,924 11.76,925 19.791,926 -6.194,927 12.076,928 14.194,929 5.726,930 24.72,931 11.555,932 2.39,933 8.327,934 21.688,935 4.094,936 13.228,937 15.548,938 6.188,939 27.131,940 12.659,941 1.311,942 7.966,943 23.59,944 3.096,945 14.421,946 16.965,947 6.825,948 29.611,949 13.798,950 1,951 3.038,952 25.497,953 2.771,954 15.598,955 18.349,956 7.336,957 32.051,958 14.925,959 0.822,960 2.562,961 27.409,962 1.74,963 16.79,964 19.76,965 7.94,966 34.522,967 16.064,968 0.618,969 1.607,970 29.324,971 1.296,972 17.977,973 21.157,974 8.477,975 36.975,976 17.201,977 1370,978 2536,979 10.057,980 16.977,981 24.532,982 25.672,983 26.778,984 23.824,985 23.869,986 29.599,987 6.869,988 72.983,989 22.68,990 5.507,991 5.87,992 6.496,993 5.335,994 5.311,995 6.772,996 3.071,997 19.76,998 5.032,999 8.315,1000 1.533,1001 1.604,1002 1.674,1003 1.489,1004 1.492,1005 1.85,1006 0.429,1007 4.561,1008 1.417,1009 4.009,1010 4.063,1011 3.982,1012 3.787,1013 7.444,1014 3.831,1015 3.573,1016 3.65,1017 3.48,1018 3.339,1019 7.411,1020 3.354,1021 3.468,1022 3.554,1023 3.296,1024 3.27,1025 4.943,1026 3.259,1027 3.159,1028 3.221,1029 2.983,1030 2.886,1031 4.138,1032 2.911,1033 2.961,1034 2.972,1035 2.888,1036 2.637,1037 4.05,1038 2.702,1039 2.493,1040 2.604,1041 2.297,1042 2.224,1043 3.574,1044 2.224,1045 2.321,1046 2.446,1047 2.059,1048 1.968,1049 3.475,1050 1.946,1051 2.206,1052 2.341,1053 1.92,1054 1.898,1055 3.041,1056 1.871,1057 0.285,1058 0.249,1059 0.436,1060 0.266,1061 0.207,1062 4.561,1063 0.256,1064 3.983,1065 0.11,1066 6.978,1067 0.735,1068 4.262,1069 0.196,1070 3.311,1071 4.094,1072 1.761,1073 11.76,1074 3.144,1075 1.751,1076 1.704,1077 1.901,1078 1.995,1079 1.08,1080 1.959,1081 1.497,1082 1.412,1083 1.807,1084 1.744,1085 0.983,1086 1.762,1087 1.333,1088 1.265,1089 1.56,1090 1.621,1091 0.642,1092 1.612,1093 1.31,1094 1.224,1095 1.466,1096 1.543,1097 0.373,1098 1.546,1099 0.857,1100 0.829,1101 1.046,1102 1.179,1103 0.162,1104 1.12,1105 0.641,1106 0.58,1107 1.02,1108 1.002,1109 0.133,1110 0.992,1111 0.316,1112 0.196,1113 0.732,1114 0.709,1116 0.746,1117 0.294,1118 0.182,1119 0.565,1120 0.693,1122 0.68,1123 3.497,1125 4.828,1126 2.398,1127 6.392,1128 4.595,1129 8.07,1130 6.629,1131 9.808,1132 3.618,1136 0.873,1140 2.694,1144 16.622,1145 46.833,1146 87.163,1147 100.872,1148 102.872,1149 108.872,1150 114.872,1151 26.939,1152 5.844,1153 72.68,1154 72.68,1155 11,1156 12.162,1157 3,1158 2.459,1159 23.23,1160 33,1161 25,1162 0.426,1163 105.775,1164 179.66,1165 249.85,1166 1791,1168 11,1169 0.733,1170 0.577,1171 11,1172 8.65,1173 7.202,1174 0.45,1175 0.304,1176 4.757,1177 6.747,1178 4.639,1179 3.873,1180 7.202,1181 4.87,1182 6.121,1183 0.266,1184 0.138,1185 6.121,1186 3.176,1187 5.819,1188 0.171,1189 0.072,1190 5.819,1191 2.431,1192 5.124,1193 0.114,1194 0.037,1195 5.124,1196 1.678,1197 3.244,1198 0.066,1199 0.019,1200 3.244,1201 0.945,1202 0.598,1203 46.349,1204 0.315,1205 14.395,1206 1.403,1207 78,1208 282.739,1209 91.643,1210 264.766,1211 357.9,1212 246,1213 96,1214 265.752,1215 110.948,1216 262.23,1217 393.4,1218 247,1219 5.481} {0 CHEMBL417654,1 1.689,2 5.625,3 0.773,4 0.597,5 58.606,6 7.409,7 0.294,8 3.515,9 3.651,10 3.076,11 2.897,12 4.643,13 2.915,14 4.079,15 4.306,16 3.462,17 3.282,18 5.168,19 3.286,20 4.216,21 4.406,22 3.599,23 3.42,24 5.436,25 3.424,26 4.378,27 4.584,28 3.559,29 3.38,30 5.832,31 3.394,32 4.172,33 4.377,34 3.149,35 3.272,36 5.357,37 3.212,38 4.169,39 4.427,40 2.584,41 3.142,42 5.18,43 2.957,44 3.968,45 4.315,46 1.772,47 2.685,48 4.783,49 2.38,50 3.272,51 3.66,52 0.677,53 1.858,54 3.951,55 1.48,56 0.053,57 0.461,58 6.308,59 1.975,60 5.024,61 3.265,62 0.397,63 0.686,64 13.272,65 3.235,66 16.636,67 5.42,68 0.251,69 0.759,70 14.518,71 4.368,72 19.805,73 6.73,74 0.695,75 0.744,76 18.917,77 3.747,78 93.77,79 6.232,80 0.407,81 0.641,82 14.694,83 3.584,84 38.24,85 5.667,86 0.35,87 0.535,88 15.452,89 4.256,90 45.478,91 6.688,92 0.317,93 0.317,94 14.26,95 3.608,96 43.187,97 6.006,98 0.175,99 0.123,100 7.478,101 1.745,102 25.818,103 3.022,104 28,105 25,106 0.328,107 0.603,108 0.796,109 0.835,110 0.835,111 0.835,112 2.857,113 0.915,114 -2.59,115 -2.61,116 -2.54,117 33.3,118 1,119 1,122 2,123 1,134 1,138 1,140 1,141 1,142 1,150 1,152 6,153 1,161 3,162 1,170 5,171 3,182 1,183 4,193 2,203 1,231 198,232 10.475,233 10.475,234 10.475,235 10.475,236 10.475,237 9.652,238 16.17,239 5.965,240 10.802,241 8.258,242 8.258,243 8.258,244 8.258,245 8.258,246 6.844,247 22.25,248 2.659,249 8.748,250 3.217,251 1.804,252 0.809,253 0.609,254 0.609,255 0.609,256 3.492,261 1,262 182,263 2.345,265 29.775,266 36.419,269 55.836,270 0.797,271 21.736,274 1,275 1,276 1,277 0.5,278 1,279 1,280 0.93,281 36,282 90,283 4.628,284 3.982,285 7.056,286 4.3,287 3.351,288 4.236,289 1.761,290 12.028,291 3.177,292 3.909,293 3.407,294 6.17,295 3.554,296 2.613,297 3.188,298 1.083,299 8.731,300 2.454,301 3.61,302 2.945,303 5.925,304 3.341,305 2.394,306 2.779,307 0.526,308 7.884,309 2.255,310 3.032,311 2.273,312 4.799,313 2.595,314 1.634,315 2.156,316 0.064,317 4.676,318 1.554,319 2.513,320 1.663,321 4.091,322 2.307,323 1.335,324 1.513,326 3.074,327 1.293,328 2.315,329 1.502,330 3.752,331 1.89,332 0.958,333 1.22,335 2.162,336 0.888,337 1.814,338 1.034,339 3.098,340 1.395,341 0.387,342 0.498,343 0.834,344 0.384,345 1.604,346 0.831,347 2.859,348 1.271,349 0.253,350 0.312,351 0.509,352 0.253,353 0.733,354 -0.105,355 2,356 0.466,357 -0.498,358 -0.563,359 -0.994,360 -0.473,361 0.319,362 -0.357,363 2,364 0.124,365 -0.854,366 -0.972,367 -1.719,368 -0.821,369 0.084,370 -0.689,371 1.832,372 -0.264,373 -1.249,374 -1.501,376 -3.103,377 -1.238,378 -0.106,379 -0.855,380 1.548,381 -0.443,382 -1.374,383 -1.649,385 -3.634,386 -1.26,387 -0.218,388 -1.162,389 1.406,390 -0.473,391 -1.476,392 -1.899,394 -4.403,395 -1.497,396 -0.332,397 -1.556,398 1.286,399 -0.779,400 -1.707,401 -2,402 -0.4,403 -5.23,404 -1.591,405 -0.659,406 -1.64,407 1.196,408 -0.876,409 -1.819,410 -2.08,411 -0.66,412 -5.975,413 -1.709,414 7.267,415 0.454,416 0.511,417 0.032,418 19.25,419 1.203,420 7.5,421 0.469,422 11.75,423 0.734,424 11.611,425 0.726,426 18.533,427 0.618,428 13.398,429 0.837,430 3.789,431 0.237,432 3.785,433 0.237,434 0.298,436 0.44,437 0.713,438 2.119,439 0.748,440 1.528,441 0.516,442 1.187,443 0.63,444 0.757,445 0.674,446 0.605,447 0.509,448 0.618,449 0.769,450 1.398,451 0.695,452 1.265,453 0.844,454 1.003,455 1.484,456 0.933,457 1.129,458 0.825,459 1.533,460 0.884,461 1.478,462 1.037,463 1.481,464 1.146,465 1.33,466 1.281,467 1.137,468 1.019,469 1.454,470 1.332,471 1.14,472 1.456,473 0.794,474 0.631,475 0.928,476 0.865,477 0.917,478 0.941,479 0.702,480 0.388,481 0.679,482 0.541,483 0.942,484 0.627,485 3,487 2.667,488 1.875,489 1.592,490 0.615,491 0.177,495 1490,496 4454,497 1.923,498 46.7,499 3,500 8,502 1,505 2,507 1.563,508 1.714,509 2.509,510 -0.612,512 1,514 1,515 50.684,516 1.689,517 3.103,518 4.098,519 4.298,520 4.298,521 4.298,522 1.883,523 3.328,524 3.971,525 2.557,526 306.89,527 6.744,528 2609.96,530 1,533 147.207,534 1.546,535 3.873,536 0.176,538 0.107,539 0.067,540 0.064,541 0.038,542 0.025,546 0.478,547 0.67,548 1,549 1.274,550 61.747,551 -0.048,552 -0.763,553 0.075,554 -0.355,555 -0.03,556 -0.15,557 0.222,558 0.395,559 0.266,560 0.346,561 0.074,562 0.32,563 0.122,564 -0.268,565 0.217,566 -0.188,567 0.041,568 0.006,569 -0.058,570 0.066,571 -0.104,572 0.055,573 0.044,574 -0.019,575 -0.366,576 0.052,577 -0.536,578 -0.181,579 -0.199,580 -0.361,581 -0.249,582 -0.107,583 -0.51,584 -0.348,585 -0.197,586 -0.471,587 0.019,588 -0.021,589 0.097,590 0.044,591 -0.032,592 0.077,593 0.115,594 0.059,595 0.397,596 0.312,597 -0.025,598 0.395,599 1.974,600 4.879,601 0.563,602 8.297,603 1.016,604 1.15,605 1.357,606 1.841,607 0.625,608 2.89,609 3.258,610 3.611,611 3.892,612 4.043,613 4.078,614 3.97,615 3.761,616 3.296,617 2.565,618 3.558,619 0.605,620 222.28,621 2.89,622 4.443,623 5.333,624 6.248,625 7.162,626 8.084,627 9.002,628 9.926,629 10.846,630 11.769,631 13.3,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 30,649 7,651 17,652 31,653 10,654 3,657 1,659 2,660 3,662 1,663 1,668 1,670 5,671 5,673 2,676 2,678 2,680 1,681 14,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 16,719 2,723 2,729 6.7,732 2,735 9.333,736 6.467,737 3.611,738 1.892,739 1.19,740 1.199,741 0.933,742 2.72,743 7.174,744 3.114,745 3.67,746 4.254,747 4.782,748 5.011,749 5.265,750 5.341,751 5.29,752 5.118,753 4.365,754 0.75,755 28,756 5.933,758 2.511,759 8.042,760 11.014,762 8.701,764 2.542,765 40.667,766 0.002,769 164.795,770 52.942,771 24.933,773 50.29,775 52.942,776 215.085,777 24.933,778 25.618,779 10.889,781 92.17,782 1.899,783 9.36,784 153.024,786 164.795,787 77.875,788 50.29,790 141.253,791 73.832,793 30.232,794 30.858,795 16.786,797 164.795,798 75.223,799 52.942,801 164.795,802 18.705,803 42.384,805 67.075,806 164.795,807 75.223,808 52.942,809 0.589,810 0.381,811 0.215,812 0.114,813 13,814 7,815 0.065,816 2,817 1,818 1.222,819 2.61,820 112.658,821 0.222,822 9,823 64,825 11.144,826 3.905,827 1.553,829 73.324,830 1.553,831 4.112,833 0.938,834 1.642,836 292.96,837 21.5,840 23.756,842 -0.606,843 30.48,844 34.488,845 0.344,846 0.632,847 0.835,848 0.876,849 0.876,850 0.876,851 4.385,852 0.253,853 5.371,854 0.834,855 3.932,856 4.35,857 2.197,858 6.293,859 3.823,860 5.605,861 -0.498,862 7.015,863 0.509,864 3.761,865 4.35,866 1.404,867 7.427,868 3.603,869 6.942,870 -0.854,871 8.762,872 -0.994,873 5.631,874 6.509,875 2.804,876 10.6,877 5.404,878 8.319,879 -1.249,880 10.565,881 -1.719,882 6.275,883 7.348,884 2.647,885 12.519,886 6.003,887 9.732,888 -1.374,889 12.401,890 -3.103,891 7.674,892 9.022,893 3.665,894 15.242,895 7.337,896 11.168,897 -1.476,898 14.26,899 -3.634,900 8.648,901 10.211,902 3.851,903 17.479,904 8.267,905 12.623,906 -1.707,907 16.136,908 -4.403,909 9.9,910 11.726,911 4.661,912 20.052,913 9.459,914 3.351,915 -1.819,916 18.023,917 -5.23,918 11.008,919 13.062,920 5.029,921 22.428,922 10.52,923 2.613,924 12.028,925 19.919,926 -5.975,927 12.218,928 14.525,929 5.726,930 24.946,931 11.674,932 2.394,933 8.731,934 21.824,935 4.236,936 13.382,937 15.922,938 6.188,939 27.384,940 12.788,941 1.634,942 7.884,943 23.735,944 3.188,945 14.583,946 17.369,947 6.825,948 29.882,949 13.935,950 1.335,951 4.676,952 25.652,953 2.779,954 15.77,955 18.792,956 7.336,957 32.347,958 15.071,959 0.958,960 3.074,961 27.573,962 2.156,963 16.972,964 20.235,965 7.94,966 34.838,967 16.219,968 0.387,969 2.162,970 29.499,971 1.513,972 18.17,973 21.669,974 8.477,975 37.316,976 17.365,977 1632,978 2919,979 10.463,980 18.739,981 26.615,982 28.121,983 28.606,984 25.965,985 25.852,986 31.804,987 6.869,988 79.796,989 24.518,990 5.576,991 5.87,992 6.814,993 5.373,994 5.351,995 6.929,996 3.071,997 20.028,998 5.065,999 9.769,1000 1.566,1001 1.654,1002 1.683,1003 1.527,1004 1.521,1005 1.871,1006 0.404,1007 4.694,1008 1.442,1009 4.029,1010 4.082,1011 4.004,1012 3.814,1013 7.444,1014 3.856,1015 3.617,1016 3.694,1017 3.505,1018 3.431,1019 7.411,1020 3.424,1021 3.49,1022 3.562,1023 3.354,1024 3.221,1025 4.893,1026 3.255,1027 3.123,1028 3.218,1029 2.993,1030 2.856,1031 4.152,1032 2.862,1033 2.968,1034 3.04,1035 2.79,1036 2.703,1037 3.996,1038 2.715,1039 2.857,1040 2.919,1041 2.634,1042 2.573,1043 3.864,1044 2.581,1045 2.717,1046 2.775,1047 2.458,1048 2.413,1049 3.54,1050 2.42,1051 2.263,1052 2.358,1053 2.061,1054 2.03,1055 3.117,1056 2.031,1057 0.272,1058 0.234,1059 0.415,1060 0.253,1061 0.197,1062 4.628,1063 0.249,1064 3.982,1065 0.104,1066 7.056,1067 0.708,1068 4.3,1069 0.187,1070 3.351,1071 4.236,1072 1.761,1073 12.028,1074 3.177,1075 1.762,1076 1.716,1077 1.937,1078 1.997,1079 1.184,1080 1.965,1081 1.582,1082 1.509,1083 1.801,1084 1.816,1085 0.913,1086 1.823,1087 1.432,1088 1.35,1089 1.68,1090 1.706,1091 0.727,1092 1.707,1093 1.185,1094 1.097,1095 1.465,1096 1.449,1097 0.568,1098 1.462,1099 0.925,1100 0.859,1101 1.246,1102 1.214,1103 0.36,1104 1.22,1105 0.843,1106 0.745,1107 1.186,1108 1.15,1109 0.174,1110 1.171,1111 0.639,1112 0.589,1113 0.819,1114 0.992,1116 0.942,1117 0.409,1118 0.362,1119 0.714,1120 0.762,1122 0.729,1123 3.555,1125 4.905,1126 2.398,1127 6.472,1128 4.727,1129 8.15,1130 6.843,1131 9.889,1132 5.215,1136 1.393,1140 2.663,1144 18.149,1145 50.684,1146 93.101,1147 122.942,1148 128.942,1149 128.942,1150 128.942,1151 29.924,1152 5.984,1153 61.82,1154 61.82,1155 11,1156 12.276,1157 3,1158 2.459,1159 25.594,1160 36,1161 36,1162 0.412,1163 115.367,1164 196.96,1165 273.256,1166 2139,1168 11.87,1169 0.742,1170 0.6,1171 11.87,1172 9.597,1173 7.575,1174 0.446,1175 0.305,1176 5.054,1177 7.095,1178 4.852,1179 4.11,1180 7.575,1181 5.184,1182 6.826,1183 0.273,1184 0.153,1185 6.826,1186 3.826,1187 6.22,1188 0.173,1189 0.073,1190 6.22,1191 2.646,1192 5.089,1193 0.106,1194 0.038,1195 5.089,1196 1.804,1197 3.761,1198 0.067,1199 0.021,1200 3.761,1201 1.167,1202 0.585,1203 48.875,1204 0.309,1205 15.367,1206 1.338,1207 84,1208 294.052,1209 97.67,1210 276.382,1211 372.24,1212 256,1213 103,1214 275.245,1215 118.947,1216 276.107,1217 410.54,1218 256,1219 4.697} {0 CHEMBL417834,1 1.549,2 7.15,3 2.518,4 6.338,5 77.15,6 6.629,7 0.238,8 3.81,9 3.955,10 3.271,11 3.225,12 4.823,13 3.201,14 4.403,15 4.636,16 3.626,17 3.606,18 5.361,19 3.552,20 4.624,21 4.877,22 3.782,23 3.736,24 5.611,25 3.688,26 4.691,27 4.917,28 3.869,29 3.762,30 5.985,31 3.749,32 4.628,33 4.821,34 3.689,35 3.77,36 5.81,37 3.717,38 4.7,39 4.936,40 3.401,41 3.73,42 5.749,43 3.614,44 4.595,45 4.87,46 3.04,47 3.614,48 5.456,49 3.419,50 4.522,51 4.848,52 2.504,53 3.419,54 5.236,55 3.121,56 0.001,57 0.619,58 9.946,59 3.344,60 4.772,61 5.302,62 0.36,63 0.937,64 19.178,65 5.456,66 19.385,67 8.856,68 0.264,69 1.06,70 23.976,71 6.621,72 22.727,73 10.834,74 0.642,75 1.094,76 26.643,77 6.017,78 88.164,79 10.086,80 0.392,81 1.075,82 24.452,83 6.346,84 53.444,85 10.104,86 0.506,87 1.031,88 26.625,89 6.663,90 68.852,91 10.744,92 0.335,93 0.883,94 23.373,95 7.054,96 44.873,97 11.018,98 0.252,99 0.704,100 21.572,101 7.065,102 42.834,103 10.959,104 44,105 29,106 0.278,107 0.496,108 0.664,109 0.708,110 0.769,111 0.83,112 3.06,113 1.048,114 -3.69,115 -3.66,116 -3.49,117 33.3,118 3,119 3,123 3,134 1,138 1,140 1,141 1,142 1,150 3,152 6,153 3,161 3,162 3,170 5,171 7,182 1,183 12,193 7,201 1,203 3,210 4,212 1,219 5,229 2,231 434,232 13.629,233 13.629,234 13.629,235 13.629,236 13.629,237 12.859,238 19.332,239 8.244,240 13.957,241 10.22,242 10.22,243 10.22,244 10.22,245 10.22,246 8.831,247 24.017,248 3.581,249 10.751,250 3.843,251 2.631,252 1.692,253 1.447,254 1.108,255 0.768,256 3.711,260 1,261 1,262 286,263 3.082,265 41.524,266 49.294,269 76.505,270 0.895,271 24.649,272 1,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 44,282 143,283 4.642,284 3.994,285 7.09,286 4.318,287 3.37,288 4.249,289 1.761,290 12.216,291 3.193,292 3.952,293 3.41,294 6.246,295 3.614,296 2.676,297 3.226,298 1.083,299 9.113,300 2.503,301 3.631,302 2.981,303 6.001,304 3.38,305 2.437,306 2.795,307 0.526,308 8.269,309 2.291,310 3.129,311 2.375,312 5.026,313 2.783,314 1.812,315 2.257,316 0.064,317 5.398,318 1.745,319 2.606,320 1.933,321 4.199,322 2.371,323 1.4,324 1.618,326 3.334,327 1.354,328 2.405,329 1.618,330 3.824,331 2.277,332 1.275,333 1.355,335 2.479,336 1.271,337 2.26,338 1.094,339 3.451,340 2.011,341 1.039,342 1.171,343 1.936,344 1.008,345 2.104,346 1.04,347 3.196,348 1.787,349 0.84,350 1.031,351 1.681,352 0.791,353 1.637,354 0.939,355 2.902,356 1.369,357 0.366,358 0.445,359 0.715,360 0.362,361 1.535,362 0.748,363 2.689,364 1.214,365 0.195,366 0.231,367 0.344,368 0.195,369 0.8,370 -0.082,371 2,372 0.604,373 -0.362,374 -0.396,376 -0.609,377 -0.347,378 0.382,379 -0.303,380 2,381 0.221,382 -0.758,383 -0.813,385 -1.313,386 -0.735,387 0.368,388 -0.478,389 1.879,390 0.203,391 -0.813,392 -0.906,394 -1.416,395 -0.816,396 0.092,397 -0.834,398 1.68,399 -0.118,400 -1.115,401 -1.356,403 -2.49,404 -1.111,405 -0.049,406 -0.919,407 1.651,408 -0.462,409 -1.442,410 -1.764,412 -4.196,413 -1.37,414 9.267,415 0.463,416 0.435,417 0.022,418 21.25,419 1.063,420 7.5,421 0.375,422 13.75,423 0.688,424 18.817,425 0.941,426 23.733,427 0.565,428 14.893,429 0.745,430 3.712,431 0.186,432 5.939,433 0.297,434 0.234,436 0.345,437 0.695,438 1.978,439 0.874,440 1.513,441 0.514,442 1.256,443 0.576,444 1.073,445 0.813,446 0.96,447 0.494,448 0.921,449 0.772,450 1.152,451 0.66,452 0.963,453 0.771,454 0.806,455 1.442,456 0.934,457 0.969,458 0.773,459 1.438,460 0.774,461 1.736,462 1.275,463 1.394,464 1.223,465 1.738,466 1.243,467 1.853,468 1.002,469 1.539,470 1.073,471 1.845,472 1.23,473 1.111,474 0.965,475 1.306,476 1.172,477 1.046,478 1.262,479 0.625,480 0.903,481 1.014,482 1.137,483 0.745,484 1.159,485 3,487 2.667,488 2.125,489 1.997,490 0.924,491 0.456,492 0.194,493 0.049,495 2814,496 6646,497 1.938,498 52.4,499 9,500 6,502 1,505 6,507 1.63,508 1.765,509 2.816,510 -0.689,512 1,514 1,515 65.067,516 1.549,517 2.761,518 3.7,519 3.945,520 4.284,521 4.624,522 2.121,523 4.022,524 4.285,525 2.911,526 553.126,527 7.388,528 5519.02,529 1,530 1,532 1,533 226.477,534 1.559,535 4.219,536 0.143,538 0.092,539 0.063,540 0.055,541 0.032,542 0.023,543 0.015,544 0.008,546 0.431,547 0.5,548 1,549 1.537,550 85.768,551 -0.001,552 -0.57,553 0.068,554 -0.253,555 -0.006,556 -0.108,557 0.285,558 0.108,559 0.167,560 0.067,561 0.084,562 0.086,563 0.16,564 -0.101,565 0.322,566 0.041,567 0.062,568 0.19,569 0.078,570 0.145,571 0.107,572 0.15,573 0.148,574 0.144,575 -0.305,576 -0.106,577 -0.348,578 -0.198,579 -0.181,580 -0.267,581 -0.453,582 0.04,583 -0.503,584 -0.123,585 -0.306,586 -0.296,587 -0.212,588 -0.003,589 -0.355,590 -0.174,591 -0.115,592 -0.273,593 0.004,594 -0.112,595 -0.113,596 -0.154,597 -0.028,598 -0.159,599 1.909,600 5.541,601 0.45,602 14.07,603 1,604 1.146,605 2.465,606 6.075,607 0.614,608 3.091,609 3.401,610 3.761,611 4.094,612 4.29,613 4.407,614 4.431,615 4.369,616 4.111,617 3.689,618 4.381,619 0.578,620 278.4,621 3.091,622 4.615,623 5.493,624 6.402,625 7.314,626 8.237,627 9.16,628 10.087,629 11.013,630 11.942,631 9.5,634 2,635 1,637 1,638 1,640 2,641 1,642 5,648 42,649 7,651 21,652 43,653 14,654 3,657 1,659 2,660 3,662 1,663 3,668 3,670 5,671 9,673 2,676 2,678 2,679 1,680 1,681 22,682 5,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 20,719 6,723 2,729 4.8,732 2,735 11.333,736 8.467,737 4.778,738 3.192,739 1.17,740 1.182,741 0.924,742 4.814,743 7.605,744 3.277,745 3.767,746 4.349,747 4.915,748 5.196,749 5.499,750 5.652,751 5.731,752 5.668,753 5.25,754 0.8,755 34,756 7.478,758 3.109,759 7.833,760 14.28,762 11.344,764 2.333,765 46.667,766 0.001,769 258.964,770 63.08,771 24.933,773 50.29,775 63.08,776 309.254,777 24.933,778 26.476,779 20.169,781 92.17,782 1.899,783 9.36,784 247.193,786 258.964,787 88.013,788 50.29,790 188.338,791 120.916,793 57.163,794 14.065,795 16.786,797 258.964,798 75.223,799 63.08,801 258.964,802 27.986,803 43.242,805 67.075,806 258.964,807 75.223,808 63.08,809 0.554,810 0.357,811 0.226,812 0.131,813 13,814 7,815 0.14,816 6,817 1,818 1.222,819 2.99,820 151.661,821 0.222,822 9,823 86.439,825 15.046,826 6.4,827 2.625,829 73.324,830 1.664,831 4.291,833 1.066,834 1.857,836 397.267,837 25.5,840 24.969,842 -0.46,843 42.014,844 48.149,845 0.287,846 0.512,847 0.686,848 0.732,849 0.795,850 0.858,851 4.525,852 0.84,853 5.493,854 1.936,855 4.078,856 4.449,857 2.197,858 6.402,859 3.977,860 5.703,861 0.366,862 7.114,863 1.681,864 3.761,865 4.35,866 1.404,867 7.522,868 3.603,869 7.02,870 0.195,871 8.846,872 0.715,873 5.74,874 6.561,875 2.804,876 10.71,877 5.515,878 8.383,879 -0.362,880 10.642,881 0.344,882 6.312,883 7.368,884 2.647,885 12.646,886 6.035,887 9.787,888 -0.758,889 12.476,890 -0.609,891 7.76,892 9.059,893 3.665,894 15.368,895 7.419,896 11.219,897 -0.813,898 14.335,899 -1.313,900 8.705,901 10.239,902 3.851,903 17.625,904 8.316,905 12.672,906 -1.115,907 16.211,908 -1.416,909 9.977,910 11.761,911 4.661,912 20.199,913 9.529,914 3.37,915 -1.442,916 18.101,917 -2.49,918 11.077,919 13.095,920 5.029,921 22.592,922 10.58,923 2.676,924 12.216,925 20,926 -4.196,927 12.295,928 14.562,929 5.726,930 25.117,931 11.742,932 2.437,933 9.113,934 21.908,935 4.249,936 13.458,937 15.959,938 6.188,939 27.571,940 12.855,941 1.812,942 8.269,943 23.822,944 3.226,945 14.664,946 17.409,947 6.825,948 30.079,949 14.007,950 1.4,951 5.398,952 25.741,953 2.795,954 15.853,955 18.834,956 7.336,957 32.559,958 15.145,959 1.275,960 3.334,961 27.666,962 2.257,963 17.059,964 20.279,965 7.94,966 35.062,967 16.297,968 1.039,969 2.479,970 29.594,971 1.618,972 18.26,973 21.716,974 8.477,975 37.554,976 17.446,977 3038,978 4811,979 13.235,980 25.784,981 31.515,982 33.029,983 34.161,984 30.915,985 30.817,986 36.753,987 6.869,988 90.967,989 29.429,990 5.593,991 5.893,992 6.857,993 5.394,994 5.37,995 6.947,996 3.071,997 20.216,998 5.083,999 11.897,1000 1.501,1001 1.573,1002 1.627,1003 1.472,1004 1.467,1005 1.75,1006 0.327,1007 4.332,1008 1.401,1009 4.045,1010 4.097,1011 4.017,1012 3.837,1013 7.444,1014 3.875,1015 3.682,1016 3.753,1017 3.571,1018 3.49,1019 7.411,1020 3.491,1021 3.592,1022 3.672,1023 3.415,1024 3.43,1025 4.881,1026 3.413,1027 3.487,1028 3.566,1029 3.289,1030 3.327,1031 4.171,1032 3.309,1033 3.289,1034 3.355,1035 3.147,1036 3.023,1037 4.121,1038 3.054,1039 3.056,1040 3.121,1041 2.972,1042 2.766,1043 4.078,1044 2.8,1045 2.817,1046 2.907,1047 2.612,1048 2.563,1049 3.704,1050 2.556,1051 2.752,1052 2.841,1053 2.475,1054 2.485,1055 3.566,1056 2.471,1057 0.221,1058 0.19,1059 0.338,1060 0.206,1061 0.16,1062 4.642,1063 0.202,1064 3.994,1065 0.084,1066 7.09,1067 0.582,1068 4.318,1069 0.152,1070 3.37,1071 4.249,1072 1.761,1073 12.216,1074 3.193,1075 1.795,1076 1.746,1077 1.966,1078 2.018,1079 1.222,1080 1.993,1081 1.666,1082 1.593,1083 1.927,1084 1.885,1085 1.178,1086 1.898,1087 1.609,1088 1.533,1089 1.904,1090 1.81,1091 1.155,1092 1.846,1093 1.442,1094 1.381,1095 1.634,1096 1.655,1097 0.772,1098 1.667,1099 1.266,1100 1.181,1101 1.498,1102 1.54,1103 0.588,1104 1.539,1105 1.003,1106 0.928,1107 1.357,1108 1.29,1109 0.509,1110 1.311,1111 0.924,1112 0.846,1113 1.234,1114 1.213,1115 0.354,1116 1.214,1117 0.74,1118 0.632,1119 1.148,1120 1.047,1121 0.203,1122 1.089,1123 3.761,1125 5.069,1126 2.398,1127 6.605,1128 4.727,1129 8.267,1130 6.862,1131 10.001,1132 6.026,1136 4.291,1140 2.963,1144 24.256,1145 65.067,1146 115.974,1147 155.419,1148 165.683,1149 179.948,1150 194.213,1151 45.521,1152 6.435,1153 61.82,1154 61.82,1155 11,1156 12.446,1157 3,1158 2.459,1159 35.915,1160 53,1161 57,1162 0.369,1163 153.737,1164 266.16,1165 366.877,1166 3859,1168 14.698,1169 0.735,1170 0.621,1171 14.698,1172 12.425,1173 9.651,1174 0.46,1175 0.349,1176 7.215,1177 9.185,1178 6.993,1179 5.934,1180 9.651,1181 7.336,1182 7.991,1183 0.276,1184 0.172,1185 7.991,1186 5.001,1187 6.996,1188 0.167,1189 0.08,1190 6.996,1191 3.343,1192 6.308,1193 0.107,1194 0.042,1195 6.308,1196 2.495,1197 4.882,1198 0.068,1199 0.023,1200 4.882,1201 1.648,1202 0.537,1203 61.162,1204 0.275,1205 19.175,1206 1.146,1207 100,1208 310.052,1209 114.336,1210 292.024,1211 398.14,1212 272,1213 121,1214 297.949,1215 137.613,1216 295.735,1217 445.1,1218 278,1219 5.854} {0 CHEMBL418193,1 1.542,2 8.625,3 3.229,4 10.424,5 92.49,6 7.097,7 0.423,8 3.915,9 4.046,10 3.445,11 3.406,12 4.978,13 3.387,14 4.477,15 4.682,16 3.802,17 3.793,18 5.494,19 3.747,20 4.708,21 4.934,22 3.927,23 3.92,24 5.728,25 3.867,26 4.8,27 5.023,28 3.984,29 3.912,30 6.065,31 3.887,32 4.721,33 4.913,34 3.876,35 3.921,36 5.902,37 3.88,38 4.785,39 5.002,40 3.731,41 3.932,42 5.873,43 3.846,44 4.735,45 4.989,46 3.538,47 3.842,48 5.712,49 3.713,50 4.638,51 4.919,52 3.242,53 3.701,54 5.54,55 3.523,56 0.001,57 0.701,58 9.934,59 3.908,60 5.166,61 5.599,62 0.347,63 1.112,64 19.355,65 6.408,66 18.763,67 9.53,68 0.225,69 1.291,70 24.951,71 8.285,72 22.939,73 12.283,74 0.64,75 1.338,76 28.696,77 7.495,78 91.247,79 11.353,80 0.406,81 1.289,82 25.57,83 7.333,84 54.606,85 10.605,86 0.434,87 1.317,88 27.795,89 8.156,90 67.466,91 11.849,92 0.322,93 1.205,94 26.662,95 8.469,96 49.118,97 12.571,98 0.274,99 1.024,100 24.596,101 8.414,102 48.108,103 12.39,104 25,105 36,106 0.266,107 0.574,108 0.736,109 0.772,110 0.805,111 0.828,112 3.23,113 0.968,114 -4.43,115 -4.36,116 -4.11,117 39.1,118 2,119 2,123 3,130 5,131 1,134 1,138 1,140 1,141 1,142 1,150 8,152 6,153 3,158 6,161 3,162 4,167 3,170 5,171 9,182 1,183 14,193 12,201 1,203 10,210 4,212 5,219 7,222 2,229 8,231 810,232 16.483,233 16.483,234 16.483,235 16.483,236 16.483,237 14.961,238 22.97,239 9.955,240 16.802,241 12.754,242 12.754,243 12.754,244 12.754,245 12.754,246 10.348,247 35.075,248 4.53,249 13.271,250 3.982,251 2.198,252 1.258,253 1.049,254 0.859,255 0.728,256 3.908,260 1,261 1,262 433,263 3,265 49.977,266 133.33,269 92.979,270 1.323,271 25.773,272 1,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 52,282 207,283 4.645,284 3.995,285 7.092,286 4.321,287 3.372,288 4.254,289 1.761,290 12.224,291 3.196,292 4.01,293 3.414,294 6.256,295 3.68,296 2.731,297 3.459,298 1.083,299 9.178,300 2.599,301 3.825,302 3.032,303 6.002,304 3.422,305 2.458,306 3.198,307 0.526,308 8.274,309 2.385,310 3.629,311 2.723,312 5.424,313 3.376,314 2.409,315 2.794,316 0.522,317 7.089,318 2.291,319 3.109,320 2.216,321 4.881,322 2.692,323 1.719,324 2.273,325 0.064,326 5.053,327 1.662,328 2.836,329 1.933,330 4.199,331 2.406,332 1.422,333 1.961,335 3.333,336 1.396,337 2.581,338 1.622,339 3.818,340 2.309,341 1.333,342 1.589,343 3.007,344 1.296,345 2.5,346 1.396,347 3.58,348 2.27,349 1.273,350 1.5,351 2.463,352 1.263,353 2.395,354 1.043,355 3.451,356 2,357 1,358 1.349,359 2.136,360 1,361 2.25,362 1,363 3.247,364 1.812,365 0.875,366 1.124,367 1.877,368 0.817,369 1.656,370 0.941,371 2.987,372 1.379,373 0.371,374 0.454,376 0.74,377 0.369,378 1.555,379 0.835,380 2.866,381 1.243,382 0.231,383 0.275,385 0.45,386 0.23,387 1.199,388 0.192,389 2.582,390 0.877,391 -0.101,392 -0.125,394 -0.238,395 -0.098,396 0.63,397 -0.302,398 2,399 0.32,400 -0.664,401 -0.754,403 -1.26,404 -0.647,405 0.5,406 -0.306,407 2,408 0.203,409 -0.806,410 -0.865,412 -1.398,413 -0.795,414 11.267,415 0.469,416 0.504,417 0.021,418 29.75,419 1.24,420 13.5,421 0.563,422 16.25,423 0.677,424 20.286,425 0.845,426 26.533,427 0.577,428 21.968,429 0.915,430 5.67,431 0.236,432 5.999,433 0.25,434 0.148,436 0.328,437 0.683,438 1.669,439 0.802,440 1.278,441 0.512,442 1.088,443 0.594,444 1.001,445 0.834,446 0.921,447 0.525,448 0.906,449 0.76,450 1.199,451 0.749,452 1.059,453 0.798,454 0.923,455 1.417,456 0.944,457 0.965,458 0.793,459 1.405,460 0.795,461 1.75,462 1.12,463 1.263,464 1.019,465 1.696,466 1.052,467 1.725,468 1.048,469 1.366,470 1.032,471 1.704,472 1.125,473 1.169,474 0.996,475 1.166,476 1.055,477 1.065,478 1.098,479 0.901,480 0.874,481 1.053,482 1.025,483 0.936,484 1.062,485 3.5,486 0.054,487 2.667,488 2.188,489 2.023,490 0.956,491 0.648,492 0.334,493 0.144,494 0.081,495 5431,496 13336,497 2.04,498 47.8,499 6,500 11,502 1,505 4,507 1.677,508 1.895,509 3.09,510 -0.74,511 1,512 1,515 70.918,516 1.542,517 3.325,518 4.265,519 4.474,520 4.665,521 4.795,522 2.519,523 4.252,524 4.551,525 3.224,526 889.845,527 7.9,528 10120.5,530 1,532 1,533 254.084,534 1.459,535 4.507,536 0.135,537 0.008,538 0.074,539 0.055,540 0.049,541 0.026,542 0.021,543 0.013,544 0.008,545 0.006,546 0.395,547 0.17,548 1,549 1.219,550 111.531,551 -0.001,552 -0.41,553 0.07,554 -0.167,555 -0.011,556 -0.062,557 0.271,558 0.16,559 0.11,560 0.07,561 0.06,562 0.059,563 0.159,564 -0.158,565 0.214,566 -0.064,567 0.038,568 0.06,569 0.092,570 0.101,571 0.081,572 0.107,573 0.133,574 0.099,575 -0.287,576 -0.02,577 -0.253,578 -0.069,579 -0.163,580 -0.139,581 -0.372,582 -0.009,583 -0.36,584 -0.083,585 -0.25,586 -0.198,587 -0.177,588 -0.027,589 -0.187,590 -0.086,591 -0.067,592 -0.127,593 -0.075,594 0.008,595 -0.082,596 -0.034,597 -0.039,598 -0.054,599 1.929,600 5.857,601 0.625,602 20.208,603 1,604 1.134,605 3.203,606 10.258,607 0.647,608 3.296,609 3.611,610 3.951,611 4.277,612 4.5,613 4.615,614 4.727,615 4.804,616 4.787,617 4.727,618 5.247,619 0.614,620 326.44,621 3.296,622 4.828,623 5.7,624 6.6,625 7.501,626 8.414,627 9.327,628 10.247,629 11.166,630 12.091,631 8.7,634 2,635 1,637 6,638 1,640 3,641 1,642 11,648 46,649 13,650 1,651 26,652 48,653 18,654 9,655 1,656 5,657 1,659 3,660 4,662 1,663 2,668 2,670 11,671 7,673 2,676 2,678 2,679 1,680 1,681 22,682 5,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 24,719 5,723 2,729 4.3,732 2,735 12.667,736 8.883,737 5.528,738 3.178,739 2.122,740 1.299,741 0.965,742 5.003,743 9.223,744 3.541,745 4.073,746 4.646,747 5.215,748 5.593,749 5.841,750 6.16,751 6.483,752 6.756,753 6.938,754 0.833,755 40,756 8.948,758 3.794,759 7.785,760 17.067,762 13.828,764 2.285,765 54.833,768 1,769 258.964,770 102.287,771 24.933,773 50.29,775 102.287,776 309.254,777 24.933,778 17.65,779 17.635,780 47.381,781 92.17,782 5.085,783 9.36,784 247.193,786 258.964,787 127.22,788 50.29,790 211.88,791 97.374,793 45.803,794 64.632,795 16.786,797 258.964,798 75.223,799 102.287,801 258.964,802 28.637,803 81.798,805 67.075,806 258.964,807 75.223,808 102.287,809 0.563,810 0.35,811 0.212,812 0.121,813 17,814 8,815 0.125,816 6,817 1,818 1.133,819 3.459,820 200.421,821 0.133,822 15,823 106.039,825 16.718,826 7.183,827 3.12,829 73.324,830 11.578,831 4.369,833 2.071,834 1.838,836 436.474,837 33.5,840 25.485,842 -0.515,843 46.014,844 52.149,845 0.279,846 0.602,847 0.772,848 0.81,849 0.845,850 0.868,851 4.777,852 1.273,853 5.687,854 3.007,855 4.29,856 4.758,857 2.256,858 6.561,859 4.21,860 5.961,861 1,862 7.281,863 2.463,864 3.892,865 4.511,866 1.404,867 7.606,868 3.754,869 7.266,870 0.875,871 8.987,872 2.136,873 5.922,874 6.874,875 2.813,876 10.792,877 5.737,878 8.611,879 0.371,880 10.758,881 1.877,882 6.415,883 7.51,884 2.647,885 12.69,886 6.167,887 9.996,888 0.231,889 12.572,890 0.74,891 7.895,892 9.322,893 3.666,894 15.408,895 7.599,896 11.408,897 -0.101,898 14.414,899 0.45,900 8.786,901 10.363,902 3.851,903 17.649,904 8.427,905 12.842,906 -0.664,907 16.276,908 -0.238,909 10.07,910 11.958,911 4.661,912 20.22,913 9.662,914 3.372,915 -0.806,916 18.154,917 -1.26,918 11.137,919 13.198,920 5.029,921 22.608,922 10.668,923 2.731,924 12.224,925 20.044,926 -1.398,927 12.358,928 14.703,929 5.726,930 25.131,931 11.836,932 2.458,933 9.178,934 21.944,935 4.254,936 13.503,937 16.043,938 6.188,939 27.582,940 12.923,941 2.409,942 8.274,943 23.852,944 3.459,945 14.707,946 17.51,947 6.825,948 30.09,949 14.074,950 1.719,951 7.089,952 25.767,953 3.198,954 15.888,955 18.901,956 7.336,957 32.57,958 15.197,959 1.422,960 5.053,961 27.687,962 2.794,963 17.091,964 20.353,965 7.94,966 35.073,967 16.346,968 1.333,969 3.333,970 29.613,971 2.273,972 18.288,973 21.77,974 8.477,975 37.565,976 17.487,977 5440,978 8665,979 17.107,980 29.784,981 39.06,982 40.656,983 41.144,984 38.465,985 38.387,986 48.459,987 7.912,988 111.646,989 37.006,990 5.596,991 5.995,992 6.894,993 5.397,994 5.372,995 7.254,996 3.071,997 20.224,998 5.196,999 12.052,1000 1.502,1001 1.564,1002 1.582,1003 1.479,1004 1.476,1005 1.864,1006 0.304,1007 4.294,1008 1.423,1009 4.063,1010 4.112,1011 4.032,1012 3.905,1013 7.444,1014 3.922,1015 3.865,1016 3.9,1017 3.798,1018 3.752,1019 7.411,1020 3.768,1021 3.638,1022 3.71,1023 3.531,1024 3.453,1025 4.898,1026 3.453,1027 3.588,1028 3.666,1029 3.411,1030 3.424,1031 4.723,1032 3.408,1033 3.332,1034 3.394,1035 3.183,1036 3.091,1037 4.168,1038 3.112,1039 3.073,1040 3.147,1041 2.976,1042 2.883,1043 4.112,1044 2.887,1045 3.017,1046 3.068,1047 2.906,1048 2.758,1049 3.819,1050 2.793,1051 2.854,1052 2.925,1053 2.687,1054 2.735,1055 3.69,1056 2.715,1057 0.179,1058 0.154,1059 0.273,1060 0.166,1061 0.13,1062 4.645,1063 0.164,1064 3.995,1065 0.068,1066 7.092,1067 0.47,1068 4.321,1069 0.123,1070 3.372,1071 4.254,1072 1.761,1073 12.224,1074 3.196,1075 1.922,1076 1.89,1077 2.047,1078 2.04,1079 1.213,1080 2.036,1081 1.77,1082 1.723,1083 1.951,1084 1.973,1085 1.169,1086 1.964,1087 1.611,1088 1.535,1089 1.904,1090 1.813,1091 1.155,1092 1.847,1093 1.518,1094 1.455,1095 1.687,1096 1.726,1097 0.841,1098 1.727,1099 1.368,1100 1.298,1101 1.552,1102 1.619,1103 0.656,1104 1.611,1105 1.035,1106 0.961,1107 1.359,1108 1.31,1109 0.51,1110 1.322,1111 0.928,1112 0.88,1113 1.234,1114 1.214,1115 0.37,1116 1.218,1117 0.904,1118 0.821,1119 1.185,1120 1.122,1121 0.218,1122 1.15,1123 3.97,1125 5.283,1126 2.398,1127 6.815,1128 4.727,1129 8.459,1130 6.862,1131 10.168,1132 3.968,1136 3.086,1140 2.953,1144 28.256,1145 70.918,1146 152.964,1147 196.21,1148 205.819,1149 214.574,1150 220.574,1151 47.902,1152 7.102,1153 61.82,1154 61.82,1155 17,1156 12.598,1157 3.807,1158 3.087,1159 38.919,1160 73,1161 81,1162 0.266,1163 175.93,1164 304.18,1165 421.03,1166 9958,1168 17.104,1169 0.713,1170 0.588,1171 17.104,1172 14.105,1173 11.668,1174 0.449,1175 0.323,1176 8.272,1177 11.206,1178 8.051,1179 6.768,1180 11.668,1181 8.393,1182 9.942,1183 0.276,1184 0.164,1185 9.942,1186 5.921,1187 8.697,1188 0.171,1189 0.08,1190 8.697,1191 4.074,1192 7.727,1193 0.109,1194 0.042,1195 7.727,1196 2.985,1197 6.154,1198 0.069,1199 0.023,1200 6.154,1201 2.025,1202 0.399,1203 73.268,1204 0.242,1205 22.881,1206 0.786,1207 124,1208 366.052,1209 138.336,1210 351.191,1211 481.83,1212 328,1213 149,1214 359.949,1215 165.78,1216 361.861,1217 539.31,1218 340,1219 5.824} {0 CHEMBL418333,1 1.82,2 10.111,3 2.05,4 4.203,5 96.907,6 8.351,7 0.379,8 3.969,9 4.066,10 3.77,11 3.476,12 5.091,13 3.462,14 4.527,15 4.683,16 4.065,17 3.852,18 5.994,19 3.831,20 4.751,21 4.945,22 4.148,23 3.971,24 5.996,25 3.949,26 4.835,27 5.016,28 4.138,29 3.957,30 6.255,31 3.961,32 4.773,33 4.958,34 3.953,35 3.919,36 6.055,37 3.89,38 4.711,39 4.913,40 3.862,41 3.87,42 5.872,43 3.812,44 4.672,45 4.879,46 3.837,47 3.838,48 5.953,49 3.747,50 4.652,51 4.883,52 3.616,53 3.733,54 5.797,55 3.621,56 0.18,57 0.735,58 11.436,59 4.482,60 29.294,61 5.004,62 0.704,63 1.146,64 19.128,65 7.16,66 94.618,67 9.036,68 0.581,69 1.351,70 26.786,71 8.879,72 65.446,73 11.382,74 1.01,75 1.37,76 29.145,77 8.145,78 128.496,79 10.097,80 0.81,81 1.291,82 24.99,83 7.853,84 114.52,85 9.94,86 0.712,87 1.238,88 25.048,89 7.417,90 95.961,91 9.92,92 0.725,93 1.167,94 24.561,95 8.263,96 76.435,97 10.825,98 0.655,99 1.032,100 25.927,101 8.465,102 95.29,103 11.103,104 63,105 43,106 0.31,107 0.652,108 0.76,109 0.781,110 0.803,111 0.825,112 3.341,113 1.037,114 -3.14,115 -3.14,116 -3.02,117 36.2,118 2,119 2,123 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,148 2,149 1,150 6,152 5,153 3,155 4,157 1,158 4,159 2,161 3,162 8,166 4,167 2,168 2,170 2,171 12,174 3,176 5,180 1,182 1,183 13,188 2,193 10,194 1,198 1,199 1,201 2,202 2,203 7,206 3,207 1,208 1,210 6,212 2,213 1,219 8,221 2,223 2,225 1,229 6,231 1006,232 17.695,233 17.695,234 17.695,235 17.695,236 17.695,237 15.991,238 17.749,239 10.2,240 18.122,241 14.2,242 14.2,243 14.2,244 14.2,245 14.2,246 11.325,247 20.575,248 4.616,249 14.91,250 3.735,251 1.73,252 1.096,253 0.968,254 0.841,255 0.713,256 4.013,261 1,262 565,263 3.808,265 58.702,266 161.162,269 112.527,270 1.539,271 49.208,274 0.83,275 1,276 0.8,277 0.5,278 1,279 1,280 0.88,281 61,282 273,283 4.802,284 5.164,285 7.111,286 4.297,287 3.349,288 4.662,289 2.925,290 11.881,291 3.175,292 4.615,293 3.987,294 7.001,295 4.228,296 3.31,297 4.234,298 1.761,299 11.658,300 3.005,301 4.139,302 3.393,303 6.228,304 3.781,305 2.819,306 3.596,307 1.083,308 9.287,309 2.709,310 3.728,311 3.012,312 5.975,313 3.37,314 2.421,315 3.084,316 0.526,317 8.198,318 2.315,319 3.62,320 2.704,321 5.872,322 3.334,323 2.355,324 2.784,325 0.064,326 7.852,327 2.265,328 3.259,329 2.502,330 4.714,331 2.77,332 1.786,333 2.517,335 5.096,336 1.754,337 2.718,338 1.932,339 4.316,340 2.351,341 1.365,342 1.768,343 3.729,344 1.34,345 2.5,346 1.883,347 4.149,348 2.279,349 1.277,350 1.5,351 3.023,352 1.273,353 2.476,354 1.357,355 3.878,356 2.091,357 1.128,358 1.435,359 2.492,360 1.081,361 2.392,362 1.154,363 3.464,364 2,365 1,366 1.346,367 2.275,368 1,369 2.245,370 1,371 3.414,372 1.749,373 0.795,374 1.091,376 1.963,377 0.75,378 1.639,379 0.951,380 2.929,381 1.407,382 0.411,383 0.482,385 0.784,386 0.405,387 1.511,388 0.737,389 2.814,390 1.147,391 0.129,392 0.158,394 0.232,395 0.129,396 1,397 0.627,398 2.729,399 0.517,400 -0.445,401 -0.581,403 -1.087,404 -0.421,405 0.96,406 -0.069,407 2.366,408 0.254,409 -0.726,410 -0.801,412 -1.336,413 -0.702,414 12.6,415 0.467,416 0.899,417 0.033,418 34.75,419 1.287,420 16.5,421 0.611,422 18.25,423 0.676,424 22.825,425 0.845,426 30.6,427 0.651,428 28.792,429 1.066,430 6.433,431 0.238,432 6.34,433 0.235,434 0.212,435 0.066,436 0.341,437 0.635,438 1.58,439 0.784,440 1.359,441 0.681,442 1.01,443 0.415,444 1.043,445 0.695,446 0.905,447 0.402,448 0.885,449 0.772,450 1.183,451 0.751,452 0.983,453 0.688,454 0.862,455 1.245,456 0.982,457 0.961,458 0.818,459 1.155,460 0.858,461 1.286,462 1.052,463 0.96,464 0.845,465 1.194,466 1.038,467 1.126,468 1.03,469 0.981,470 0.895,471 1.002,472 1.058,473 0.708,474 0.978,475 0.963,476 1.01,477 0.674,478 1.146,479 0.977,480 0.905,481 0.889,482 0.942,483 1,484 1.078,485 6.5,486 0.242,487 4.222,488 2.597,489 2.184,490 1.417,491 0.857,492 0.418,493 0.329,494 0.282,495 7622,496 26803,497 1.963,498 42.6,499 6,500 8,503 2,505 4,507 1.704,508 1.77,509 3.277,510 0.377,511 1,512 1,515 85.531,516 1.82,517 3.825,518 4.459,519 4.586,520 4.714,521 4.842,522 2.763,523 4.06,524 4.721,525 3.476,526 1220.11,527 8.216,528 15224.5,530 1,532 1,533 261.066,534 1.74,535 4.637,536 0.224,537 0.013,538 0.098,539 0.055,540 0.047,541 0.037,542 0.026,543 0.013,544 0.014,545 0.015,546 0.543,547 0.33,548 1,549 1.311,550 132.271,551 0.008,552 -0.292,553 0.204,554 -0.137,555 -0.129,556 -0.004,557 0.383,558 0.096,559 0.137,560 0.06,561 0.309,562 0.068,563 0.018,564 -0.128,565 0.145,566 -0.024,567 0.042,568 0.119,569 -0.135,570 0.06,571 -0.092,572 0.04,573 -0.06,574 0.029,575 -0.281,576 -0.033,577 -0.204,578 -0.029,579 -0.19,580 -0.132,581 -0.249,582 -0.003,583 -0.168,584 -0.031,585 -0.156,586 -0.119,587 0.092,588 0.044,589 -0.092,590 -0.085,591 0.073,592 -0.17,593 -0.104,594 -0.024,595 -0.012,596 -0.029,597 -0.102,598 -0.056,599 5.211,600 5.681,601 0.556,602 25.325,603 1.025,604 1.134,605 1.914,606 3.662,607 0.66,608 3.401,609 3.784,610 4.078,611 4.357,612 4.605,613 4.804,614 4.942,615 5.011,616 5.124,617 5.215,618 6.076,619 0.64,620 392.48,621 3.401,622 4.977,623 5.849,624 6.765,625 7.664,626 8.586,627 9.495,628 10.419,629 11.334,630 12.26,631 8.5,634 2,635 1,637 4,638 1,639 1,640 5,642 11,648 47,649 15,650 1,651 29,652 49,653 17,654 9,655 2,656 4,657 1,659 3,660 4,662 1,663 2,668 2,670 11,671 6,673 4,675 1,676 4,678 2,680 1,681 20,682 8,683 2,684 10,685 1,686 1,687 4,688 1,689 0.667,690 5,698 1,699 2,709 1,711 2,712 1,713 2,715 27,717 1,718 1,719 4,723 2,729 10.6,730 1,732 4,735 15.25,736 8.967,737 5.944,738 3.082,739 2.342,740 1.315,741 0.961,742 5.378,743 9.77,744 3.676,745 4.301,746 4.829,747 5.386,748 5.854,749 6.3,750 6.716,751 6.998,752 7.448,753 7.827,754 0.857,755 47,756 10.431,758 4.917,759 8.244,760 18.519,762 15.309,764 2.744,765 74.083,769 211.88,770 87.304,771 39.82,773 133.699,774 1.339,775 85.965,776 345.579,777 39.82,778 17.65,779 15.529,780 78.34,781 118.421,782 26.607,783 4.276,784 211.88,786 211.88,787 125.785,788 133.699,789 1.339,790 164.795,791 141.687,792 39.096,793 57.378,794 51.622,795 18.125,797 211.88,798 173.519,799 87.304,800 1.339,801 211.88,802 30.41,803 61.804,804 16.786,805 150.484,806 211.88,807 173.519,808 87.304,809 0.59,810 0.351,811 0.191,812 0.108,813 21,814 11,815 0.122,816 6,817 1,818 1.133,819 3.627,820 236.348,821 0.133,822 15,823 122.382,824 1,825 19.551,826 7.428,827 3.63,829 156.733,830 5.417,831 4.341,832 3.001,833 1.118,835 55.882,836 472.703,837 38.5,839 -4.294,840 47.687,842 -0.839,843 48.189,844 53.282,845 0.328,846 0.689,847 0.803,848 0.826,849 0.849,850 0.872,851 4.954,852 1.277,853 5.905,854 3.729,855 4.466,856 4.987,857 3.262,858 6.823,859 4.368,860 6.211,861 1.128,862 7.546,863 3.023,864 4.369,865 5.173,866 1.404,867 8.074,868 4.189,869 7.583,870 1,871 9.296,872 2.492,873 6.213,874 7.304,875 5.093,876 11.138,877 5.982,878 8.996,879 0.795,880 11.108,881 2.275,882 6.899,883 8.289,884 2.647,885 13.128,886 6.577,887 10.444,888 0.411,889 12.956,890 1.963,891 8.295,892 9.989,893 7.163,894 15.781,895 7.92,896 11.915,897 0.129,898 14.828,899 0.784,900 9.286,901 11.284,902 3.851,903 18.046,904 8.822,905 13.403,906 -0.445,907 16.715,908 0.232,909 10.539,910 12.853,911 9.289,912 20.573,913 10.015,914 3.349,915 -0.726,916 18.615,917 -1.087,918 11.65,919 14.272,920 5.029,921 22.95,922 11.045,923 3.31,924 11.881,925 20.523,926 -1.336,927 12.859,928 15.801,929 11.429,930 25.434,931 12.188,932 2.819,933 11.658,934 22.439,935 4.662,936 14.02,937 17.275,938 6.188,939 27.859,940 13.273,941 2.421,942 9.287,943 24.36,944 4.234,945 15.217,946 18.793,947 13.573,948 30.33,949 14.402,950 2.355,951 8.198,952 26.285,953 3.596,954 16.398,955 20.291,956 7.336,957 32.777,958 15.512,959 1.786,960 7.852,961 28.215,962 3.084,963 17.594,964 21.809,965 15.719,966 35.244,967 16.64,968 1.365,969 5.096,970 30.148,971 2.784,972 18.785,973 23.32,974 8.477,975 37.701,976 17.762,977 7714,978 14692,979 18.205,980 31.034,981 44.773,982 48.203,983 47.007,984 44.415,985 44.289,986 57.313,987 12.718,988 136.937,989 42.402,990 5.752,991 7.164,992 6.871,993 5.372,994 5.349,995 7.662,996 5.85,997 19.881,998 5.175,999 17.773,1000 1.544,1001 1.662,1002 1.621,1003 1.532,1004 1.527,1005 1.976,1006 0.439,1007 4.722,1008 1.462,1009 4.104,1010 4.126,1011 4.722,1012 4.05,1013 7.762,1014 3.996,1015 3.964,1016 3.954,1017 4.025,1018 3.806,1019 7.444,1020 3.807,1021 3.682,1022 3.718,1023 3.699,1024 3.543,1025 7.411,1026 3.506,1027 3.591,1028 3.664,1029 3.457,1030 3.431,1031 6.999,1032 3.412,1033 3.509,1034 3.513,1035 3.4,1036 3.369,1037 6.312,1038 3.34,1039 3.28,1040 3.331,1041 3.163,1042 3.01,1043 4.949,1044 3.044,1045 3.063,1046 3.119,1047 2.986,1048 2.77,1049 4.581,1050 2.809,1051 2.854,1052 2.925,1053 2.687,1054 2.735,1055 4.167,1056 2.715,1057 0.166,1058 0.178,1059 0.245,1060 0.148,1061 0.115,1062 4.802,1063 0.161,1064 5.164,1065 0.101,1066 7.111,1067 0.41,1068 4.297,1069 0.109,1070 3.349,1071 4.662,1072 2.925,1073 11.881,1074 3.175,1075 1.957,1076 1.964,1077 1.993,1078 2.03,1079 1.203,1080 2.053,1081 1.773,1082 1.725,1083 1.953,1084 2,1085 1.16,1086 1.978,1087 1.612,1088 1.543,1089 1.904,1090 1.815,1091 1.152,1092 1.848,1093 1.477,1094 1.51,1095 1.644,1096 1.686,1097 0.759,1098 1.699,1099 1.462,1100 1.407,1101 1.41,1102 1.652,1103 0.57,1104 1.66,1105 1.142,1106 1.106,1107 1.322,1108 1.428,1109 0.503,1110 1.417,1111 0.993,1112 0.939,1113 1.263,1114 1.266,1115 0.408,1116 1.263,1117 0.929,1118 0.834,1119 1.181,1120 1.232,1121 0.218,1122 1.25,1123 4.078,1125 5.442,1126 2.398,1127 7.006,1128 4.727,1129 8.664,1130 6.88,1131 10.374,1132 3.811,1135 9.075,1136 2.086,1140 2.68,1144 30.061,1145 85.531,1146 179.763,1147 209.556,1148 215.556,1149 221.556,1150 227.556,1151 73.986,1152 7.428,1153 127.05,1154 135.43,1155 17,1156 12.767,1157 4,1158 3.392,1159 46.875,1160 100,1161 90,1162 0.243,1163 189.458,1164 331.76,1165 454.037,1166 14631,1168 19.767,1169 0.732,1170 0.585,1171 20.017,1172 15.784,1173 12.773,1174 0.44,1175 0.346,1176 8.562,1177 11.428,1178 8.25,1179 6.898,1180 13.668,1181 10.028,1182 12.16,1183 0.283,1184 0.177,1185 13.547,1186 7.595,1187 9.858,1188 0.17,1189 0.087,1190 10.615,1191 5.052,1192 8.257,1193 0.107,1194 0.044,1195 8.773,1196 3.418,1197 6.545,1198 0.066,1199 0.023,1200 6.902,1201 2.302,1202 0.374,1203 90.13,1204 0.234,1205 25.506,1206 0.69,1207 144,1208 513.22,1209 198.478,1210 507.501,1211 675.41,1212 462,1213 173,1214 467.772,1215 235.324,1216 505.116,1217 746.74,1218 472,1219 6.149} {0 CHEMBL420705,1 1.665,2 11.464,3 0.817,4 0.668,5 102.506,6 7.558,7 0.516,8 4.063,9 4.176,10 3.625,11 3.501,12 5.202,13 3.517,14 4.611,15 4.769,16 4.011,17 3.909,18 5.697,19 3.907,20 4.903,21 5.1,22 4.106,23 4.025,24 6.104,25 3.993,26 4.955,27 5.187,28 4.032,29 4.022,30 6.058,31 3.97,32 4.888,33 5.114,34 3.962,35 3.993,36 6.046,37 3.936,38 4.854,39 5.096,40 3.888,41 3.939,42 5.946,43 3.869,44 4.732,45 4.981,46 3.75,47 3.792,48 5.844,49 3.726,50 4.507,51 4.734,52 3.62,53 3.639,54 5.604,55 3.587,56 0.151,57 0.776,58 10.836,59 4.256,60 24.022,61 5.614,62 0.456,63 1.226,64 20.643,65 7.165,66 47.633,67 9.589,68 0.993,69 1.437,70 30.49,71 9.087,72 102.474,73 13.012,74 0.919,75 1.456,76 33.472,77 9.459,78 95.192,79 13.992,80 0.796,81 1.417,82 30.444,83 8.435,84 92.683,85 12.834,86 0.692,87 1.358,88 29.691,89 8.172,90 67.488,91 12.779,92 0.666,93 1.194,94 26.542,95 6.755,96 66.152,97 10.862,98 0.445,99 0.98,100 20.483,101 5.863,102 48.043,103 8.925,104 18,105 44,106 0.28,107 0.645,108 0.825,109 0.882,110 0.898,111 0.898,112 3.375,113 0.889,114 -2.96,115 -2.97,116 -2.86,117 37.3,118 1,119 1,123 1,124 4,125 1,130 5,131 1,133 1,134 1,135 1,142 1,143 1,150 7,152 4,155 1,157 2,158 9,161 2,164 5,165 1,166 1,167 6,170 3,171 2,174 3,175 1,176 2,179 3,183 3,186 3,187 1,188 2,191 2,192 1,193 7,196 3,198 1,201 1,203 6,206 3,207 1,212 9,215 1,216 1,222 6,225 1,226 1,227 2,231 1212,232 19.077,233 19.077,234 19.077,235 19.077,236 19.077,237 17.201,238 20.477,239 11.141,240 19.601,241 15.222,242 15.222,243 15.222,244 15.222,245 15.222,246 12.455,247 29.528,248 5.19,249 16.183,250 4.007,251 1.829,252 0.757,253 0.422,254 0.329,255 0.329,256 4.069,261 1,262 695,263 3.24,265 128.506,266 167.653,269 112.21,270 1.893,271 37.325,274 0.83,275 1,276 1,277 0.5,278 1,279 1,280 0.9,281 62.5,282 321,283 4.65,284 3.586,285 6.931,286 4.226,287 3.302,288 4.587,289 1.041,290 11.649,291 3.049,292 4.153,293 3.168,294 6.552,295 3.96,296 3.022,297 3.457,298 0.4,299 10.23,300 2.825,301 3.929,302 2.854,303 5.957,304 3.62,305 2.641,306 3.348,308 8.256,309 2.596,310 3.716,311 2.637,312 5.499,313 3.374,314 2.434,315 2.951,317 7.366,318 2.273,319 3.233,320 2.299,321 5.302,322 3.046,323 2.088,324 2.342,326 6.239,327 1.996,328 3.049,329 2.193,330 4.898,331 2.787,332 1.851,333 2.306,335 5.277,336 1.722,337 3.008,338 1.876,339 4.684,340 2.491,341 1.585,342 2.107,343 4.628,344 1.437,345 2.8,346 1.549,347 4.184,348 2.446,349 1.542,350 1.873,351 3.687,352 1.396,353 2.704,354 1.488,355 4.07,356 2.368,357 1.386,358 1.739,359 3.05,360 1.345,361 2.5,362 1.281,363 3.573,364 2,365 1.04,366 1.5,367 2.904,368 1,369 2.41,370 1.203,371 3.34,372 1.944,373 1,374 1.383,376 2.136,377 0.936,378 2.101,379 1,380 3.247,381 1.679,382 0.779,383 1,385 1.916,386 0.699,387 1.55,388 0.884,389 2.994,390 1.385,391 0.542,392 0.546,394 0.907,395 0.453,396 1.256,397 0.55,398 2.855,399 0.957,400 0.02,401 0.023,403 0.05,404 0.018,405 0.997,406 0.175,407 2.601,408 0.713,409 -0.167,410 -0.179,412 -0.336,413 -0.142,414 12.833,415 0.458,416 0.678,417 0.024,418 34,419 1.214,420 14.5,421 0.518,422 19.5,423 0.696,424 24.6,425 0.879,426 31.567,427 0.619,428 26.128,429 0.933,430 6.706,431 0.239,432 6.874,433 0.246,434 0.117,436 0.382,437 1.022,438 1.498,439 0.815,440 1.161,441 1.044,442 0.975,443 1.027,444 1.125,445 0.935,446 1.072,447 0.971,448 0.999,449 0.896,450 1.11,451 0.959,452 1.051,453 0.855,454 1.028,455 0.964,456 0.944,457 0.943,458 0.912,459 0.921,460 0.924,461 0.947,462 1.069,463 1.057,464 0.997,465 0.966,466 1.03,467 0.825,468 1.055,469 0.996,470 0.996,471 0.777,472 1.012,473 0.867,474 0.983,475 1.03,476 0.92,477 0.762,478 0.972,479 0.894,480 1.095,481 0.981,482 1.016,483 0.769,484 1.002,485 5,486 0.094,487 3.333,488 2.611,489 1.544,490 0.848,491 0.718,492 0.383,493 0.249,494 0.221,495 9881,496 27644,497 2.094,498 45.1,500 11,501 1,502 2,503 4,505 5,507 1.71,508 1.953,509 3.468,510 1.733,512 1,515 84.932,516 1.665,517 3.843,518 4.915,519 5.251,520 5.344,521 5.344,522 2.924,523 4.423,524 4.776,525 3.629,526 1371.92,527 8.306,528 17939.9,530 1,533 289.294,534 1.432,535 4.736,536 0.161,537 0.006,538 0.076,539 0.058,540 0.037,541 0.022,542 0.02,543 0.012,544 0.009,545 0.01,546 0.41,547 0.17,548 1,549 0.744,550 140.482,551 -0.155,552 -0.232,553 0.02,554 -0.021,555 -0.184,556 0.027,557 -0.053,558 0.052,559 -0.034,560 -0.023,561 -0.138,562 -0.032,563 0.206,564 -0.085,565 0.015,566 -0.063,567 0.137,568 -0.07,569 0.059,570 0.032,571 0.053,572 0.044,573 0.031,574 0.04,575 -0.007,576 -0.034,577 -0.089,578 -0.041,579 0.012,580 -0.073,581 0.018,582 -0.033,583 -0.029,584 -0.048,585 0.007,586 -0.045,587 0.001,588 0.048,589 -0.051,590 -0.007,591 0.042,592 -0.027,593 -0.032,594 -0.05,595 -0.026,596 -0.047,597 0.016,598 -0.031,599 2.53,600 4.275,601 0.714,602 27.878,603 1.015,604 1.139,605 1.733,606 3.002,607 0.641,608 3.466,609 3.807,610 4.127,611 4.419,612 4.595,613 4.691,614 4.836,615 4.99,616 5.037,617 5.112,618 6.636,619 0.622,620 385.47,621 3.466,622 5.017,623 5.889,624 6.783,625 7.674,626 8.577,627 9.476,628 10.384,629 11.289,630 12.201,631 9.8,633 1,635 3,636 2,637 7,638 3,640 2,641 1,642 16,645 1,648 51,649 16,650 1,651 31,652 54,653 19,654 11,655 1,656 5,659 4,660 5,663 2,666 3,668 5,670 11,671 8,679 1,680 1,681 23,682 8,683 4,684 9,686 1,687 5,689 0.75,690 4,691 1,692 2,693 1,696 1,698 2,699 2,709 3,710 1,711 3,713 1,715 28,718 3,719 2,720 1,721 1,722 5,729 7.8,730 3,733 1,735 14.333,736 8.817,737 6.194,738 2.885,739 3.074,740 1.399,741 0.892,742 5.461,743 10.783,744 3.689,745 4.273,746 4.872,747 5.469,748 5.941,749 6.218,750 6.618,751 7.013,752 7.107,753 7.397,754 0.875,755 45,756 10.444,758 4.645,759 7.905,760 19.549,762 16.435,764 2.405,765 67.333,769 223.651,770 85.351,771 70.266,773 139.05,775 85.351,776 362.701,777 70.266,778 8.825,779 2.535,780 175.431,781 113.243,782 15.847,783 14.099,784 188.338,786 223.651,787 155.618,788 139.05,790 164.795,791 58.856,792 139.05,793 34.355,794 52.895,795 68.367,797 223.651,798 209.316,799 85.351,801 223.651,802 11.907,803 75.343,804 18.011,805 189.407,806 223.651,807 209.316,808 85.351,809 0.582,810 0.355,811 0.198,812 0.102,813 22,814 10,815 0.111,816 6,817 1,818 1.1,819 3.948,820 247.947,821 0.1,822 20,823 130.606,825 19.086,826 8.011,827 3.719,828 1.013,829 207.417,830 13.057,831 12.939,833 1.795,834 1.549,835 146.061,836 518.318,837 39,843 51.771,844 58.066,845 0.294,846 0.677,847 0.866,848 0.926,849 0.942,850 0.942,851 4.942,852 1.542,853 5.883,854 4.628,855 4.489,856 4.959,857 1.249,858 6.735,859 4.364,860 6.131,861 1.386,862 7.468,863 3.687,864 4.111,865 4.718,867 7.714,868 3.924,869 7.434,870 1.04,871 9.156,872 3.05,873 6.116,874 7.137,875 1.224,876 10.862,877 5.868,878 8.774,879 1,880 10.904,881 2.904,882 6.594,883 7.804,885 12.697,886 6.265,887 10.153,888 0.779,889 12.693,890 2.136,891 8.062,892 9.691,893 1.268,894 15.368,895 7.678,896 11.558,897 0.542,898 14.51,899 1.916,900 8.925,901 10.803,903 17.547,904 8.45,905 12.985,906 0.02,907 16.347,908 0.907,909 10.194,910 12.472,911 1.324,912 20.062,913 9.658,914 3.302,915 -0.167,916 18.199,917 0.05,918 11.228,919 13.802,921 22.386,922 10.6,923 3.022,924 11.649,925 20.064,926 -0.336,927 12.426,928 15.379,929 1.383,930 24.848,931 11.729,932 2.641,933 10.23,934 21.939,935 4.587,936 13.536,937 16.813,939 27.234,940 12.749,941 2.434,942 8.256,943 23.822,944 3.457,945 14.711,946 18.355,947 1.444,948 29.679,949 13.849,950 2.088,951 7.366,952 25.711,953 3.348,954 15.855,955 19.837,957 32.094,958 14.906,959 1.851,960 6.239,961 27.605,962 2.951,963 17.026,964 21.365,965 1.506,966 34.536,967 15.998,968 1.585,969 5.277,970 29.505,971 2.342,972 18.187,973 22.869,975 36.965,976 17.073,977 9433,978 15928,979 20.69,980 32.699,981 46.897,982 47.555,983 48.689,984 46.463,985 46.461,986 58.323,987 2.882,988 136.588,989 43.494,990 5.556,991 5.586,992 6.733,993 5.333,994 5.302,995 7.587,996 2.082,997 19.374,998 5.049,999 13.678,1000 1.513,1001 1.534,1002 1.571,1003 1.499,1004 1.499,1005 1.881,1006 0.093,1007 4.406,1008 1.403,1009 4.112,1010 4.163,1011 4.089,1012 3.925,1013 6.498,1014 3.957,1015 3.92,1016 3.955,1017 3.842,1018 3.848,1019 6.453,1020 3.847,1021 3.801,1022 3.826,1023 3.725,1024 3.607,1025 6.399,1026 3.63,1027 3.568,1028 3.639,1029 3.439,1030 3.407,1031 5.155,1032 3.402,1033 3.318,1034 3.387,1035 3.216,1036 3.079,1037 4.753,1038 3.104,1039 3.184,1040 3.239,1041 3.044,1042 2.902,1043 4.596,1044 2.926,1045 2.971,1046 3.056,1047 2.834,1048 2.821,1049 4.411,1050 2.803,1051 2.891,1052 2.978,1053 2.735,1054 2.735,1055 4.264,1056 2.715,1057 0.15,1058 0.116,1059 0.224,1060 0.136,1061 0.107,1062 4.65,1063 0.148,1064 3.586,1065 0.034,1066 6.931,1067 0.376,1068 4.226,1069 0.098,1070 3.302,1071 4.587,1072 1.041,1073 11.649,1074 3.049,1075 1.93,1076 1.898,1077 2.066,1078 2.046,1079 1.266,1080 2.046,1081 1.804,1082 1.759,1083 1.879,1084 1.98,1085 1.162,1086 1.96,1087 1.613,1088 1.572,1089 1.803,1090 1.832,1091 0.998,1092 1.819,1093 1.551,1094 1.499,1095 1.756,1096 1.797,1097 0.952,1098 1.78,1099 1.47,1100 1.416,1101 1.632,1102 1.689,1103 0.749,1104 1.691,1105 1.135,1106 1.077,1107 1.364,1108 1.449,1109 0.503,1110 1.42,1111 1.004,1112 0.923,1113 1.351,1114 1.222,1115 0.419,1116 1.276,1117 0.886,1118 0.821,1119 1.181,1120 1.184,1121 0.218,1122 1.152,1123 4.143,1125 5.476,1126 3.045,1127 7.004,1128 5.476,1129 8.619,1130 7.627,1131 10.281,1132 2.059,1135 29.564,1136 0.433,1137 3.358,1138 5.58,1139 -4.014,1144 31.707,1145 84.932,1146 195.993,1147 250.665,1148 267.784,1149 272.539,1150 272.539,1151 55.426,1152 7.709,1153 125.55,1154 125.55,1155 22,1156 12.717,1157 4.087,1158 3.17,1159 42.481,1160 111,1161 116,1162 0.189,1163 192.916,1164 326.8,1165 462.475,1166 24167,1168 19.673,1169 0.703,1170 0.549,1171 19.673,1172 15.381,1173 13.58,1174 0.438,1175 0.296,1176 9.006,1177 12.916,1178 8.865,1179 7.278,1180 13.58,1181 9.186,1182 12.127,1183 0.276,1184 0.159,1185 12.127,1186 7.01,1187 10.714,1188 0.176,1189 0.081,1190 10.714,1191 4.918,1192 9.104,1193 0.111,1194 0.043,1195 9.104,1196 3.506,1197 6.969,1198 0.071,1199 0.022,1200 6.969,1201 2.18,1202 0.296,1203 86.465,1204 0.22,1205 26.718,1206 0.519,1207 150,1208 461.098,1209 170.15,1210 433.937,1211 589.28,1212 408,1213 180,1214 425.402,1215 203.062,1216 425.317,1217 634.51,1218 401,1219 6.886} {0 CHEMBL423239,1 1.665,2 10,3 2.691,4 7.243,5 93.043,6 7.748,7 0.393,8 3.936,9 4.052,10 3.518,11 3.412,12 5.119,13 3.42,14 4.47,15 4.647,16 3.91,17 3.799,18 5.711,19 3.783,20 4.714,21 4.92,22 4.041,23 3.915,24 5.917,25 3.907,26 4.791,27 4.982,28 4.058,29 3.91,30 6.176,31 3.92,32 4.739,33 4.929,34 3.889,35 3.89,36 5.996,37 3.863,38 4.697,39 4.906,40 3.745,41 3.844,42 5.85,43 3.789,44 4.641,45 4.857,46 3.684,47 3.792,48 5.857,49 3.711,50 4.613,51 4.854,52 3.427,53 3.681,54 5.71,55 3.567,56 0.107,57 0.696,58 8.85,59 3.83,60 14.487,61 4.967,62 0.471,63 1.098,64 17.494,65 6.396,66 44.551,67 8.885,68 0.438,69 1.292,70 23.95,71 7.771,72 51.908,73 11.083,74 0.852,75 1.315,76 26.816,77 7.183,78 111.742,79 9.896,80 0.65,81 1.258,82 24.984,83 7.35,84 93.289,85 9.92,86 0.599,87 1.203,88 24.398,89 7.202,90 83.474,91 9.961,92 0.568,93 1.115,94 22.912,95 7.555,96 65.252,97 10.668,98 0.506,99 0.982,100 23.92,101 7.891,102 77.477,103 10.942,104 50,105 40,106 0.286,107 0.635,108 0.749,109 0.772,110 0.809,111 0.831,112 3.305,113 0.916,114 -3.79,115 -3.75,116 -3.57,117 39.1,118 2,119 2,123 2,130 4,131 2,133 1,139 1,140 2,141 1,143 1,148 1,149 1,150 8,151 1,152 4,153 4,155 3,157 2,158 6,159 2,161 3,162 6,166 4,167 3,168 2,170 2,171 10,174 3,176 5,180 1,182 1,183 13,188 3,193 10,194 1,198 1,199 1,201 2,202 1,203 8,206 2,207 1,208 1,210 6,212 4,213 1,219 8,221 1,222 1,223 2,225 1,229 7,231 882,232 17.43,233 17.43,234 17.43,235 17.43,236 17.43,237 15.883,238 16.866,239 10.204,240 17.706,241 13.693,242 13.693,243 13.693,244 13.693,245 13.693,246 11.103,247 19.723,248 4.607,249 14.146,250 3.859,251 1.827,252 1.163,253 1.033,254 0.815,255 0.685,256 3.98,260 1,261 1,262 540,263 3.391,265 55.471,266 152.689,269 106.245,270 1.462,271 40.519,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 58,282 260,283 4.618,284 3.987,285 7.001,286 4.295,287 3.345,288 4.242,289 1.761,290 11.881,291 3.174,292 4.226,293 3.576,294 6.236,295 3.862,296 2.881,297 3.778,298 1.437,299 9.314,300 2.829,301 3.996,302 3.393,303 5.983,304 3.642,305 2.663,306 3.358,307 1.083,308 8.278,309 2.59,310 3.664,311 3.008,312 5.935,313 3.37,314 2.417,315 2.952,316 0.526,317 8.105,318 2.308,319 3.608,320 2.636,321 5.828,322 3.292,323 2.313,324 2.77,325 0.064,326 7.748,327 2.236,328 3.005,329 2.075,330 4.433,331 2.538,332 1.558,333 2.134,335 4.192,336 1.513,337 2.621,338 1.931,339 4.164,340 2.292,341 1.302,342 1.587,343 3.107,344 1.281,345 2.5,346 1.786,347 3.911,348 2.277,349 1.276,350 1.5,351 2.723,352 1.271,353 2.476,354 1.215,355 3.699,356 2.015,357 1.035,358 1.427,359 2.453,360 1.003,361 2.383,362 1.13,363 3.463,364 2,365 1,366 1.335,367 2.275,368 1,369 2.244,370 1,371 3.414,372 1.748,373 0.793,374 1.088,376 1.955,377 0.749,378 1.639,379 0.948,380 2.921,381 1.406,382 0.409,383 0.481,385 0.781,386 0.404,387 1.511,388 0.649,389 2.729,390 1.147,391 0.129,392 0.158,394 0.232,395 0.129,396 0.962,397 0.445,398 2.5,399 0.537,400 -0.46,401 -0.596,403 -1.082,404 -0.452,405 0.5,406 -0.303,407 2,408 0.255,409 -0.726,410 -0.801,412 -1.332,413 -0.704,414 11.933,415 0.459,416 0.699,417 0.027,418 32.5,419 1.25,420 15,421 0.577,422 17.5,423 0.673,424 21.832,425 0.84,426 28.867,427 0.628,428 26.175,429 1.007,430 6.283,431 0.242,432 6.19,433 0.238,434 0.196,436 0.402,437 0.754,438 1.53,439 0.754,440 1.177,441 0.619,442 0.994,443 0.428,444 1.074,445 0.697,446 0.968,447 0.428,448 0.904,449 0.758,450 1.193,451 0.691,452 1.009,453 0.691,454 0.854,455 1.28,456 0.992,457 1.026,458 0.841,459 1.226,460 0.852,461 1.359,462 1.103,463 1.218,464 1.012,465 1.293,466 1.058,467 1.269,468 1.021,469 1.247,470 0.975,471 1.157,472 1.067,473 0.791,474 1.009,475 1.098,476 1.123,477 0.756,478 1.166,479 1.011,480 0.907,481 1.098,482 1.061,483 1.053,484 1.1,485 5,486 0.172,487 3.778,488 2.347,489 2.144,490 1.299,491 0.776,492 0.375,493 0.249,494 0.212,495 6881,496 21727,497 1.992,498 43.5,499 6,500 8,503 2,505 4,507 1.695,508 1.814,509 3.268,510 0.327,511 1,512 1,515 76.587,516 1.665,517 3.696,518 4.36,519 4.491,520 4.708,521 4.839,522 2.757,523 4.027,524 4.665,525 3.431,526 1115.1,527 8.11,528 13486.6,530 1,532 1,533 254.084,534 1.549,535 4.601,536 0.179,537 0.011,538 0.094,539 0.052,540 0.049,541 0.035,542 0.024,543 0.013,544 0.011,545 0.012,546 0.481,547 0.33,548 1,549 1.313,550 125.507,551 -0.086,552 -0.279,553 0.027,554 -0.074,555 -0.062,556 -0.012,557 0.293,558 0.086,559 0.173,560 0.051,561 0.16,562 0.069,563 0.056,564 -0.133,565 0.243,566 -0.024,567 0.055,568 0.125,569 -0.08,570 0.072,571 -0.036,572 0.07,573 -0.034,574 0.04,575 -0.273,576 -0.044,577 -0.26,578 -0.062,579 -0.185,580 -0.137,581 -0.293,582 0.025,583 -0.29,584 -0.023,585 -0.179,586 -0.125,587 0.04,588 0.014,589 -0.156,590 -0.136,591 0.046,592 -0.181,593 -0.118,594 -0.012,595 -0.106,596 -0.056,597 -0.104,598 -0.073,599 2.68,600 5.673,601 0.577,602 23.769,603 1.017,604 1.134,605 2.56,606 6.553,607 0.651,608 3.367,609 3.714,610 4.043,611 4.331,612 4.585,613 4.771,614 4.898,615 4.984,616 5.075,617 5.124,618 5.877,619 0.634,620 356.42,621 3.367,622 4.92,623 5.796,624 6.698,625 7.601,626 8.514,627 9.428,628 10.346,629 11.265,630 12.186,631 8.7,634 2,635 1,637 4,638 1,639 1,640 5,642 11,643 1,648 46,649 14,650 1,651 28,652 48,653 18,654 9,655 2,656 4,657 2,659 3,660 4,662 1,663 2,668 2,670 12,671 6,673 3,676 3,678 3,679 1,680 1,681 20,682 7,683 2,684 8,686 1,687 4,688 1,689 0.667,690 4,698 1,699 2,709 1,711 2,713 2,715 26,718 1,719 4,723 2,729 8.7,731 1,732 3,735 14.333,736 8.883,737 5.889,738 3.106,739 2.258,740 1.308,741 0.946,742 5.209,743 9.602,744 3.624,745 4.186,746 4.78,747 5.344,748 5.815,749 6.236,750 6.626,751 6.941,752 7.355,753 7.663,754 0.857,755 45,756 9.689,758 4.221,759 8.109,760 17.872,762 14.493,764 2.609,765 67.833,768 1,769 211.88,770 88.51,771 39.82,773 118.118,775 88.51,776 329.998,777 39.82,778 17.65,779 15.529,780 37.905,781 142.846,782 28.241,783 4.276,784 211.88,786 211.88,787 128.33,788 118.118,790 164.795,791 165.203,793 57.378,794 54.166,795 16.786,797 211.88,798 157.938,799 88.51,801 211.88,802 32.955,803 61.804,804 16.786,805 134.904,806 211.88,807 157.938,808 88.51,809 0.578,810 0.355,811 0.198,812 0.113,813 19,814 10,815 0.125,816 6,817 1,818 1.133,819 3.589,820 223.341,821 0.133,822 15,823 118.211,825 18.302,826 7.4,827 3.313,829 141.152,830 6.181,831 4.388,832 3.056,833 1.837,835 59.469,836 458.328,837 36.5,840 36.317,842 -1.771,843 46.785,844 52.152,845 0.301,846 0.669,847 0.789,848 0.813,849 0.852,850 0.876,851 4.881,852 1.276,853 5.808,854 3.107,855 4.394,856 4.871,857 2.575,858 6.688,859 4.328,860 6.092,861 1.035,862 7.418,863 2.723,864 4.111,865 4.758,866 1.404,867 7.732,868 4.006,869 7.413,870 1,871 9.13,872 2.453,873 6.052,874 7.027,875 3.22,876 10.872,877 5.904,878 8.772,879 0.793,880 10.899,881 2.275,882 6.594,883 7.739,884 2.647,885 12.711,886 6.402,887 10.165,888 0.409,889 12.704,890 1.955,891 8.027,892 9.497,893 4.037,894 15.391,895 7.791,896 11.58,897 0.129,898 14.532,899 0.781,900 8.921,901 10.57,902 3.851,903 17.563,904 8.636,905 13.013,906 -0.46,907 16.377,908 0.232,909 10.176,910 12.134,911 4.956,912 20.097,913 9.845,914 3.345,915 -0.726,916 18.234,917 -1.082,918 11.228,919 13.379,920 5.029,921 22.425,922 10.843,923 2.881,924 11.881,925 20.1,926 -1.332,927 12.425,928 14.862,929 5.945,930 24.912,931 11.99,932 2.663,933 9.314,934 21.976,935 4.242,936 13.549,937 16.194,938 6.188,939 27.315,940 13.058,941 2.417,942 8.278,943 23.858,944 3.778,945 14.731,946 17.644,947 6.98,948 29.789,949 14.188,950 2.313,951 8.105,952 25.747,953 3.358,954 15.891,955 19.022,956 7.336,957 32.228,958 15.29,959 1.558,960 7.748,961 27.642,962 2.952,963 17.074,964 20.459,965 8.048,966 34.699,967 16.419,968 1.302,969 4.192,970 29.542,971 2.77,972 18.251,973 21.862,974 8.477,975 37.156,976 17.539,977 6952,978 12499,979 17.918,980 29.932,981 43.086,982 45.093,983 45.406,984 42.328,985 42.244,986 53.622,987 9.742,988 126.085,989 40.975,990 5.568,991 5.987,992 6.761,993 5.37,994 5.345,995 7.242,996 3.198,997 19.881,998 5.174,999 16.059,1000 1.539,1001 1.61,1002 1.622,1003 1.512,1004 1.509,1005 1.915,1006 0.348,1007 4.503,1008 1.463,1009 4.071,1010 4.114,1011 4.044,1012 3.933,1013 7.475,1014 3.95,1015 3.863,1016 3.89,1017 3.817,1018 3.721,1019 7.444,1020 3.746,1021 3.623,1022 3.694,1023 3.52,1024 3.444,1025 7.411,1026 3.441,1027 3.579,1028 3.653,1029 3.407,1030 3.414,1031 6.351,1032 3.401,1033 3.342,1034 3.383,1035 3.235,1036 3.108,1037 4.95,1038 3.14,1039 3.195,1040 3.199,1041 3.12,1042 2.902,1043 4.588,1044 2.954,1045 3.063,1046 3.119,1047 2.983,1048 2.769,1049 4.167,1050 2.807,1051 2.854,1052 2.925,1053 2.687,1054 2.735,1055 4.113,1056 2.715,1057 0.165,1058 0.142,1059 0.25,1060 0.153,1061 0.119,1062 4.618,1063 0.152,1064 3.987,1065 0.063,1066 7.001,1067 0.424,1068 4.295,1069 0.113,1070 3.345,1071 4.242,1072 1.761,1073 11.881,1074 3.174,1075 1.92,1076 1.899,1077 2.012,1078 2.019,1079 1.203,1080 2.012,1081 1.773,1082 1.724,1083 1.954,1084 1.994,1085 1.156,1086 1.975,1087 1.611,1088 1.535,1089 1.904,1090 1.814,1091 1.109,1092 1.847,1093 1.467,1094 1.407,1095 1.644,1096 1.679,1097 0.757,1098 1.69,1099 1.338,1100 1.303,1101 1.43,1102 1.597,1103 0.522,1104 1.547,1105 1.015,1106 0.966,1107 1.335,1108 1.35,1109 0.443,1110 1.312,1111 0.981,1112 0.939,1113 1.267,1114 1.265,1115 0.38,1116 1.253,1117 0.891,1118 0.821,1119 1.181,1120 1.223,1121 0.218,1122 1.218,1123 4.043,1125 5.38,1126 2.398,1127 6.925,1128 4.727,1129 8.572,1130 6.88,1131 10.277,1132 3.857,1135 8.998,1136 2.216,1140 2.755,1144 29.159,1145 76.587,1146 170.026,1147 200.574,1148 206.574,1149 216.574,1150 222.574,1151 65.091,1152 7.343,1153 109.98,1154 109.98,1155 17,1156 12.695,1157 3.907,1158 3.248,1159 44.189,1160 94,1161 94,1162 0.248,1163 180.995,1164 319.12,1165 433.389,1166 13150,1168 18.845,1169 0.725,1170 0.564,1171 18.845,1172 14.651,1173 12.473,1174 0.445,1175 0.305,1176 8.406,1177 11.908,1178 8.215,1179 6.874,1180 12.473,1181 8.546,1182 11.101,1183 0.278,1184 0.151,1185 11.101,1186 6.056,1187 9.621,1188 0.172,1189 0.074,1190 9.621,1191 4.164,1192 8.083,1193 0.108,1194 0.039,1195 8.083,1196 2.924,1197 6.463,1198 0.067,1199 0.02,1200 6.463,1201 1.985,1202 0.379,1203 79.037,1204 0.236,1205 24.691,1206 0.708,1207 136,1208 462.624,1209 154.737,1210 439.101,1211 589.65,1212 406,1213 164,1214 432.052,1215 183.602,1216 431.479,1217 643.26,1218 406,1219 6.959} {0 CHEMBL440115,1 1.447,2 10.321,3 3.872,4 14.989,5 112.085,6 7.085,7 0.516,8 4.057,9 4.179,10 3.588,11 3.621,12 5.114,13 3.585,14 4.603,15 4.775,16 3.923,17 4.018,18 5.6,19 3.956,20 4.902,21 5.14,22 3.984,23 4.162,24 5.807,25 4.069,26 4.926,27 5.157,28 3.967,29 4.156,30 5.908,31 4.061,32 4.907,33 5.132,34 3.927,35 4.118,36 5.943,37 4.024,38 4.878,39 5.105,40 3.897,41 4.07,42 6.035,43 3.968,44 4.781,45 5.019,46 3.786,47 3.998,48 5.779,49 3.89,50 4.713,51 4.94,52 3.762,53 3.94,54 5.702,55 3.85,56 0.063,57 0.76,58 11.413,59 5.026,60 9.46,61 6.701,62 0.172,63 1.262,64 20.994,65 8.175,66 21.883,67 11.409,68 0.256,69 1.588,70 30.37,71 10.983,72 38.33,73 15.741,74 0.352,75 1.593,76 31.365,77 11.109,78 45.17,79 15.669,80 0.318,81 1.514,82 30.933,83 11.139,84 51.882,85 15.303,86 0.547,87 1.446,88 30.407,89 11.137,90 85.353,91 15.242,92 0.217,93 1.335,94 27.157,95 10.272,96 46.378,97 14.347,98 0.256,99 1.299,100 25.244,101 8.716,102 41.169,103 12.324,104 7,105 42,106 0.239,107 0.566,108 0.748,109 0.866,110 0.885,111 0.885,112 3.375,113 0.958,114 -4.28,115 -4.21,116 -3.98,117 43.4,119 4,123 2,124 1,127 2,130 8,131 2,133 1,137 1,138 1,140 1,147 1,150 12,152 1,153 10,157 1,158 12,162 11,167 9,171 12,174 1,176 1,179 13,183 4,188 1,191 15,192 4,193 5,196 1,198 2,201 14,203 6,208 1,210 7,212 12,217 1,219 8,222 4,229 11,231 1268,232 19.543,233 19.543,234 19.543,235 19.543,236 19.543,237 17.462,238 10.796,239 11.918,240 19.757,241 15.307,242 15.307,243 15.307,244 15.307,245 15.307,246 12.127,247 14.171,248 5.566,249 15.659,250 4.281,251 2.305,252 1.208,253 0.491,254 0.377,255 0.377,256 4.076,261 1,262 629,263 3.24,265 58.925,266 240.07,269 113.604,270 1.321,271 22.008,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 59.5,282 289,283 4.676,284 3.66,285 6.856,286 4.223,287 3.249,288 4.619,289 1.2,290 11.45,291 3.166,292 4.101,293 3.245,294 6.446,295 3.935,296 2.98,297 3.595,298 0.293,299 9.923,300 2.842,301 3.994,302 2.712,303 5.986,304 3.556,305 2.576,306 3.285,308 8.408,309 2.525,310 3.514,311 2.576,312 5.209,313 3.159,314 2.155,315 2.87,317 6.141,318 2.158,319 3.302,320 2.021,321 5.054,322 2.951,323 1.961,324 2.489,326 5.706,327 1.935,328 3.146,329 1.774,330 4.527,331 2.665,332 1.684,333 2.358,335 4.425,336 1.651,337 2.905,338 1.688,339 4,340 2.533,341 1.548,342 2.096,343 3.432,344 1.522,345 2.692,346 1.423,347 3.719,348 2.417,349 1.423,350 1.708,351 3.076,352 1.413,353 2.557,354 1.411,355 3.61,356 2.215,357 1.235,358 1.557,359 2.886,360 1.208,361 2.5,362 1.34,363 3.566,364 2.05,365 1.065,366 1.5,367 2.608,368 1.045,369 2.45,370 1.208,371 3.399,372 2,373 1,374 1.367,376 2.136,377 1,378 2.142,379 1,380 3.247,381 1.937,382 1,383 1.029,385 1.976,386 0.929,387 2,388 0.941,389 3.104,390 1.765,391 0.78,392 1,394 1.722,395 0.763,396 1.924,397 0.521,398 2.926,399 1.3,400 0.29,401 0.451,403 0.67,404 0.291,405 0.944,406 0.173,407 2.533,408 0.757,409 -0.193,410 -0.202,412 -0.343,413 -0.181,414 13.367,415 0.477,416 0.483,417 0.017,418 34.5,419 1.232,420 17,421 0.607,422 17.5,423 0.625,424 23.986,425 0.857,426 29.833,427 0.563,428 25.778,429 0.921,430 6.713,431 0.24,432 7.062,433 0.252,434 0.05,436 0.284,437 0.742,438 1.208,439 0.829,440 1.053,441 0.693,442 0.971,443 0.842,444 1.285,445 0.972,446 1.098,447 0.673,448 1.055,449 0.925,450 0.997,451 0.894,452 0.893,453 0.746,454 0.881,455 1.147,456 0.978,457 1.017,458 0.943,459 1.177,460 0.954,461 1.389,462 0.99,463 1.042,464 0.972,465 1.566,466 0.968,467 1.109,468 0.877,469 0.987,470 0.947,471 1.373,472 0.962,473 1.011,474 1.045,475 0.911,476 0.995,477 1.087,478 0.955,479 1.278,480 1.063,481 1.06,482 0.966,483 1.231,484 0.975,485 3.5,486 0.09,487 3.111,488 2.201,489 1.206,490 0.733,491 0.527,492 0.416,493 0.289,494 0.135,495 9558,496 22263,497 2.137,498 47.2,499 2,500 15,501 1,503 1,505 4,506 2,507 1.715,508 2.049,509 3.34,510 -0.394,512 1,515 76.687,516 1.447,517 3.423,518 4.52,519 5.237,520 5.351,521 5.351,522 2.637,523 4.522,524 4.781,525 3.476,526 1314.02,527 8.339,528 17312.1,530 1,532 1,533 303.58,534 1.198,535 4.76,536 0.113,537 0.004,538 0.074,539 0.05,540 0.029,541 0.018,542 0.014,543 0.012,544 0.009,545 0.004,546 0.327,547 0.33,548 1,549 0.787,550 139.456,551 0.034,552 -0.046,553 0.054,554 0.001,555 -0.038,556 0.018,557 0.008,558 -0.167,559 -0.048,560 -0.095,562 -0.085,563 -0.055,564 0.03,565 0.075,566 0.081,567 0.007,568 0.095,569 -0.064,570 0.044,571 -0.03,572 0.022,573 -0.065,574 0.006,575 -0.14,576 -0.006,577 -0.042,578 0.004,579 -0.144,580 -0.004,581 0.2,582 0.086,583 0.022,584 0.034,585 0.115,586 0.005,587 -0.026,588 -0.087,589 0.068,590 0.001,591 -0.005,592 0.037,593 -0.151,594 -0.025,595 -0.069,596 -0.01,597 -0.093,598 -0.024,599 1.66,600 5.893,601 0.75,602 23.714,603 0.994,604 1.122,605 3.046,606 9.279,607 0.666,608 3.466,609 3.761,610 4.078,611 4.369,612 4.585,613 4.625,614 4.762,615 4.883,616 4.92,617 4.977,618 6.24,619 0.628,620 375.51,621 3.466,622 4.99,623 5.849,624 6.727,625 7.608,626 8.498,627 9.387,628 10.282,629 11.176,630 12.074,631 5.7,634 1,635 1,636 1,637 9,638 1,640 3,642 16,648 53,649 18,650 1,651 31,652 56,653 23,654 13,655 1,656 5,657 3,659 4,660 5,663 1,666 4,668 5,670 16,671 7,673 2,676 1,677 2,678 1,680 1,681 25,682 4,683 1,684 5,687 3,689 0.75,690 2,691 1,694 1,695 1,698 1,699 3,705 1,708 2,709 1,711 3,715 28,718 1,719 6,722 1,723 1,729 3.8,730 1,732 1,735 13.667,736 9.217,737 6.333,738 3.391,739 3.7,740 1.489,741 0.972,742 5.774,743 11.271,744 3.738,745 4.301,746 4.934,747 5.559,748 6.124,749 6.502,750 6.996,751 7.451,752 7.707,753 8.019,754 0.857,755 44,756 10.395,758 4.427,759 7.667,760 20.194,762 16.886,764 2.167,765 60.667,767 1,768 1,769 282.506,770 132.03,771 20.951,773 67.828,775 132.03,776 350.335,777 20.951,779 15.368,780 146.493,781 46.513,782 10.292,783 13.915,784 270.735,786 282.506,787 152.982,788 67.828,790 211.88,791 95.772,792 42.683,793 19.289,794 98.077,795 35.616,797 282.506,798 88.78,799 132.03,801 282.506,802 28.221,803 108.098,805 84.491,806 282.506,807 88.78,808 132.03,809 0.564,810 0.341,811 0.201,812 0.112,813 20,814 8,815 0.089,816 5,817 1,818 1.095,819 3.974,820 246.543,821 0.095,822 21,823 130.606,825 18.764,826 8.617,827 4.002,828 0.968,829 87.616,830 17.882,831 4.725,833 2.826,835 42.683,836 503.316,837 41,840 12.893,841 3.545,842 0.007,843 52.68,844 59.481,845 0.253,846 0.598,847 0.789,848 0.914,849 0.934,850 0.934,851 4.956,852 1.423,853 5.808,854 3.432,855 4.443,856 4.987,857 1.356,858 6.629,859 4.397,860 6.136,861 1.235,862 7.365,863 3.076,864 3.892,865 4.663,866 0.325,867 7.573,868 3.805,869 7.428,870 1.065,871 9.032,872 2.886,873 6.023,874 7.18,875 1.511,876 10.728,877 5.921,878 8.763,879 1,880 10.77,881 2.608,882 6.399,883 7.819,884 0.653,885 12.57,886 6.245,887 10.141,888 1,889 12.552,890 2.136,891 7.936,892 9.746,893 1.739,894 15.22,895 7.767,896 11.548,897 0.78,898 14.366,899 1.976,900 8.742,901 10.853,902 1.001,903 17.403,904 8.525,905 12.98,906 0.29,907 16.2,908 1.722,909 10.04,910 12.538,911 1.993,912 19.892,913 9.803,914 3.249,915 -0.193,916 18.051,917 0.67,918 11.042,919 13.872,920 1.37,921 22.211,922 10.764,923 2.98,924 11.45,925 19.912,926 -0.343,927 12.246,928 15.458,929 2.264,930 24.649,931 11.945,932 2.576,933 9.923,934 21.782,935 4.619,936 13.335,937 16.898,938 1.754,939 27.024,940 12.999,941 2.155,942 8.408,943 23.659,944 3.595,945 14.506,946 18.446,947 2.551,948 29.448,949 14.145,950 1.961,951 6.141,952 25.541,953 3.285,954 15.633,955 19.934,956 2.143,957 31.85,958 15.242,959 1.684,960 5.706,961 27.428,962 2.87,963 16.794,964 21.468,965 2.851,966 34.272,967 16.378,968 1.548,969 4.425,970 29.319,971 2.489,972 17.939,973 22.979,974 2.535,975 36.687,976 17.496,977 9096,978 14004,979 21.266,980 35.302,981 46.775,982 47.064,983 47.429,984 45.954,985 45.889,986 59.848,987 2.986,988 129.116,989 44.894,990 5.676,991 5.66,992 6.658,993 5.263,994 5.249,995 7.619,996 2.293,997 18.793,998 5.166,999 9.688,1000 1.509,1001 1.518,1002 1.53,1003 1.482,1004 1.48,1005 1.931,1006 0.096,1007 4.165,1008 1.448,1009 4.148,1010 4.19,1011 4.12,1012 4.029,1013 7.428,1014 4.044,1015 3.898,1016 3.956,1017 3.795,1018 3.775,1019 6.456,1020 3.771,1021 3.842,1022 3.875,1023 3.77,1024 3.745,1025 5.071,1026 3.747,1027 3.55,1028 3.583,1029 3.459,1030 3.444,1031 4.717,1032 3.442,1033 3.461,1034 3.527,1035 3.278,1036 3.283,1037 4.339,1038 3.269,1039 3.288,1040 3.332,1041 3.211,1042 3.139,1043 4.279,1044 3.153,1045 3.051,1046 3.141,1047 2.88,1048 2.853,1049 4.117,1050 2.836,1051 2.976,1052 3.049,1053 2.803,1054 2.773,1055 3.691,1056 2.774,1057 0.151,1058 0.118,1059 0.221,1060 0.136,1061 0.105,1062 4.676,1063 0.149,1064 3.66,1065 0.039,1066 6.856,1067 0.369,1068 4.223,1069 0.102,1070 3.249,1071 4.619,1072 1.2,1073 11.45,1074 3.166,1075 1.939,1076 1.914,1077 2.07,1078 2.063,1079 1.443,1080 2.061,1081 1.887,1082 1.85,1083 2.031,1084 2.036,1085 1.151,1086 2.032,1087 1.859,1088 1.804,1089 1.994,1090 1.985,1091 1.062,1092 1.999,1093 1.572,1094 1.538,1095 1.752,1096 1.712,1097 1.059,1098 1.715,1099 1.459,1100 1.393,1101 1.712,1102 1.682,1103 0.778,1104 1.704,1105 1.227,1106 1.191,1107 1.444,1108 1.429,1109 0.716,1110 1.415,1111 1.066,1112 0.979,1113 1.334,1114 1.313,1115 0.498,1116 1.344,1117 0.947,1118 0.882,1119 1.21,1120 1.219,1121 0.342,1122 1.217,1123 4.143,1125 5.442,1126 2.398,1127 6.954,1128 4.844,1129 8.561,1130 7.05,1131 10.217,1135 9.312,1136 4.619,1139 0.133,1140 1.907,1144 33.289,1145 76.687,1146 181.42,1147 239.58,1148 277.58,1149 283.58,1150 283.58,1151 47.205,1152 7.57,1153 57.84,1154 57.84,1155 23,1156 12.598,1157 4.248,1158 3.459,1159 42.211,1160 103,1161 110,1162 0.196,1163 203.85,1164 351.14,1165 489.153,1166 20736,1168 19.347,1169 0.691,1170 0.567,1171 19.347,1172 15.868,1173 13.775,1174 0.444,1175 0.319,1176 9.801,1177 13.368,1178 9.633,1179 7.966,1180 13.775,1181 9.9,1182 11.722,1183 0.279,1184 0.171,1185 11.722,1186 7.186,1187 10.212,1188 0.176,1189 0.093,1190 10.212,1191 5.39,1192 8.851,1193 0.113,1194 0.051,1195 8.851,1196 3.982,1197 7.258,1198 0.075,1199 0.029,1200 7.258,1201 2.789,1202 0.303,1203 85.456,1204 0.217,1205 26.483,1206 0.55,1207 146,1208 378.821,1209 156.87,1210 369.504,1211 512.86,1212 348,1213 173,1214 382.839,1215 184.76,1216 386.489,1217 568.89,1218 367,1219 5.928} {0 CHEMBL446679,1 1.612,2 6.944,3 1.618,4 2.618,5 66.272,6 6.954,7 0.263,8 3.673,9 3.816,10 3.172,11 3.085,12 4.733,13 3.077,14 4.249,15 4.469,16 3.524,17 3.466,18 5.27,19 3.423,20 4.47,21 4.721,22 3.641,23 3.557,24 5.527,25 3.52,26 4.502,27 4.722,28 3.677,29 3.553,30 5.832,31 3.541,32 4.458,33 4.674,34 3.435,35 3.523,36 5.652,37 3.466,38 4.403,39 4.638,40 3.128,41 3.43,42 5.503,43 3.317,44 4.29,45 4.573,46 2.646,47 3.218,48 5.232,49 3.023,50 3.966,51 4.297,52 2.068,53 2.855,54 4.673,55 2.588,56 0.033,57 0.541,58 8.181,59 2.713,60 5.131,61 4.311,62 0.345,63 0.81,64 15.977,65 4.639,66 18.341,67 7.423,68 0.299,69 0.883,70 20.498,71 5.464,72 29.999,73 8.981,74 0.615,75 0.873,76 21.774,77 5.026,78 79.856,79 8.193,80 0.45,81 0.828,82 20.585,83 5.06,84 61.159,85 8.041,86 0.407,87 0.746,88 19.575,89 5.038,90 57.835,91 7.961,92 0.356,93 0.593,94 17.794,95 4.714,96 51.293,97 7.596,98 0.212,99 0.401,100 12.87,101 3.655,102 29.438,103 6.01,104 26,105 26,106 0.3,107 0.565,108 0.74,109 0.809,110 0.861,111 0.861,112 2.962,113 1.006,114 -2.75,115 -2.77,116 -2.68,117 33.3,118 2,119 3,123 2,133 1,139 1,140 1,141 1,142 1,150 3,152 4,153 2,155 2,158 1,161 3,162 2,170 2,171 6,174 3,176 1,182 1,183 7,188 1,193 6,198 1,201 1,203 2,208 1,210 2,217 1,219 2,229 1,231 314,232 12.259,233 12.259,234 12.259,235 12.259,236 12.259,237 11.489,238 14.589,239 7.449,240 12.552,241 9.271,242 9.271,243 9.271,244 9.271,245 9.271,246 7.952,247 18.073,248 3.334,249 9.72,250 3.558,251 2.132,252 1.195,253 0.82,254 0.542,255 0.542,256 3.611,261 1,262 254,263 2.828,265 37.422,266 43.884,269 68.117,270 0.957,271 23.69,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 1,281 40,282 125,283 4.563,284 3.985,285 6.981,286 4.265,287 3.314,288 4.094,289 1.761,290 11.783,291 3.147,292 3.806,293 3.39,294 6.03,295 3.436,296 2.495,297 3.1,298 1.083,299 8.391,300 2.355,301 3.622,302 2.868,303 5.945,304 3.37,305 2.405,306 2.777,307 0.526,308 8.016,309 2.293,310 2.752,311 1.969,312 4.188,313 2.543,314 1.551,315 1.788,316 0.064,317 3.415,318 1.535,319 2.589,320 1.932,321 3.983,322 2.352,323 1.364,324 1.565,326 2.876,327 1.339,328 2.342,329 1.295,330 3.546,331 2.042,332 1.103,333 1.317,335 2.386,336 1.032,337 2.284,338 1.185,339 3.383,340 1.836,341 0.882,342 1.154,343 2.039,344 0.834,345 1.876,346 1.031,347 3.034,348 1.518,349 0.515,350 0.649,351 1.038,352 0.51,353 1.554,354 0.633,355 2.711,356 1.267,357 0.287,358 0.335,359 0.519,360 0.279,361 1,362 0.217,363 2.269,364 0.805,365 -0.226,366 -0.262,367 -0.388,368 -0.23,369 0.449,370 -0.334,371 2,372 0.254,373 -0.726,374 -0.798,376 -1.29,377 -0.703,378 0.197,379 -0.648,380 1.728,381 -0.096,382 -1.122,383 -1.216,385 -2.207,386 -1.124,387 -0.053,388 -0.83,389 1.508,390 -0.221,391 -1.182,392 -1.497,394 -2.735,395 -1.148,396 -0.101,397 -1.043,398 1.408,399 -0.464,400 -1.463,401 -1.884,403 -4.157,404 -1.432,405 -0.209,406 -1.529,407 1.288,408 -0.663,409 -1.604,410 -1.915,412 -4.383,413 -1.546,414 8.267,415 0.459,416 0.384,417 0.021,418 20,419 1.111,420 7.5,421 0.417,422 12.5,423 0.694,424 15.097,425 0.839,426 21.133,427 0.587,428 13.302,429 0.739,430 3.616,431 0.201,432 5.086,433 0.283,434 0.202,436 0.339,437 0.724,438 1.902,439 0.832,440 1.44,441 0.514,442 1.184,443 0.512,444 1.087,445 0.795,446 1.013,447 0.499,448 0.959,449 0.769,450 1.128,451 0.661,452 0.984,453 0.747,454 0.817,455 1.307,456 0.954,457 0.964,458 0.85,459 1.406,460 0.839,461 1.644,462 1.039,463 1.313,464 1.047,465 1.682,466 1.107,467 1.6,468 1.027,469 1.448,470 1.133,471 1.624,472 1.251,473 1.242,474 0.895,475 1.307,476 1.064,477 1.281,478 1.192,479 0.673,480 0.798,481 1.009,482 0.978,483 0.646,484 1.055,485 2.5,487 2.444,488 1.681,489 1.592,490 0.643,491 0.293,492 0.1,493 0.056,495 2208,496 5688,497 1.963,498 50,499 8,500 4,502 1,503 1,505 4,507 1.597,508 1.8,509 2.76,510 -0.171,512 1,513 1,514 1,515 58.039,516 1.612,517 3.038,518 3.975,519 4.35,520 4.628,521 4.628,522 2.213,523 3.837,524 4.134,525 2.856,526 436.985,527 7.07,528 4037.15,530 1,532 1,533 186.117,534 1.53,535 4.076,536 0.132,538 0.094,539 0.058,540 0.055,541 0.029,542 0.02,543 0.012,544 0.014,546 0.414,547 0.5,548 1,549 1.65,550 74.261,551 -0.044,552 -0.511,553 0.055,554 -0.215,555 -0.009,556 -0.083,557 0.295,558 0.092,559 0.148,560 0.026,561 0.081,562 0.045,563 0.144,564 -0.111,565 0.308,566 0.005,567 0.092,568 0.169,569 0.099,570 0.075,571 0.074,572 0.083,573 0.115,574 0.08,575 -0.306,576 0.007,577 -0.299,578 -0.081,579 -0.192,580 -0.171,581 -0.381,582 -0.029,583 -0.456,584 -0.165,585 -0.258,586 -0.305,587 -0.247,588 -0.027,589 -0.335,590 -0.125,591 -0.189,592 -0.235,593 -0.027,594 -0.02,595 -0.075,596 -0.04,597 -0.036,598 -0.066,599 1.961,600 5.276,601 0.5,602 11.383,603 1.007,604 1.148,605 1.523,606 2.321,607 0.618,608 2.996,609 3.296,610 3.638,611 3.932,612 4.094,613 4.174,614 4.111,615 4.025,616 3.689,617 3.258,618 4.175,619 0.589,620 250.34,621 2.996,622 4.511,623 5.38,624 6.275,625 7.175,626 8.084,627 8.994,628 9.908,629 10.821,630 11.736,631 11.1,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 36,649 7,651 19,652 37,653 12,654 3,657 1,659 2,660 3,662 1,663 2,668 3,670 5,671 7,673 2,676 2,678 2,680 1,681 18,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 2,715 18,719 5,723 2,729 5.6,732 2,735 10,736 7.017,737 4.25,738 2.621,739 1.146,740 1.186,741 0.935,742 4.02,743 7.322,744 3.199,745 3.67,746 4.225,747 4.743,748 4.956,749 5.243,750 5.309,751 5.398,752 5.271,753 4.866,754 0.8,755 29,756 6.712,758 2.817,759 7.926,760 12.682,762 10.078,764 2.426,765 43.667,766 0.001,769 200.109,770 52.149,771 39.82,773 50.29,775 52.149,776 250.399,777 39.82,778 17.65,779 18.064,781 92.17,782 21.87,783 4.276,784 188.338,786 200.109,787 91.969,788 50.29,790 153.024,791 97.374,793 66.203,794 8.98,795 16.786,797 200.109,798 90.11,799 52.149,801 200.109,802 25.88,803 32.518,804 16.786,805 67.075,806 200.109,807 90.11,808 52.149,809 0.558,810 0.353,811 0.211,812 0.118,813 12,814 6,815 0.135,816 5,817 1,818 1.222,819 2.88,820 128.629,821 0.222,822 9,823 75.059,825 13.09,826 5.527,827 2.305,829 73.324,830 1.46,831 4.022,832 2.876,833 0.874,835 16.786,836 342.367,837 23.5,840 24.416,842 -0.538,843 36.247,844 41.318,845 0.312,846 0.588,847 0.769,848 0.841,849 0.895,850 0.895,851 4.434,852 0.515,853 5.371,854 2.039,855 3.97,856 4.35,857 2.197,858 6.256,859 3.877,860 5.602,861 0.287,862 6.978,863 1.038,864 3.611,865 4.159,866 1.404,867 7.338,868 3.476,869 6.905,870 -0.226,871 8.699,872 0.519,873 5.609,874 6.417,875 2.804,876 10.518,877 5.405,878 8.253,879 -0.726,880 10.486,881 -0.388,882 6.155,883 7.151,884 2.647,885 12.413,886 5.906,887 9.644,888 -1.122,889 12.312,890 -1.29,891 7.605,892 8.849,893 3.665,894 15.122,895 7.292,896 11.062,897 -1.182,898 14.163,899 -2.207,900 8.531,901 9.968,902 3.851,903 17.333,904 8.172,905 12.502,906 -1.463,907 16.03,908 -2.735,909 9.799,910 11.474,911 4.661,912 19.89,913 9.38,914 3.314,915 -1.604,916 17.91,917 -4.157,918 10.882,919 12.757,920 5.029,921 22.24,922 10.417,923 2.495,924 11.783,925 19.799,926 -4.383,927 12.093,928 14.197,929 5.726,930 24.742,931 11.572,932 2.405,933 8.391,934 21.695,935 4.094,936 13.241,937 15.55,938 6.188,939 27.155,940 12.671,941 1.551,942 8.016,943 23.598,944 3.1,945 14.436,946 16.968,947 6.825,948 29.636,949 13.813,950 1.364,951 3.415,952 25.505,953 2.777,954 15.612,955 18.351,956 7.336,957 32.078,958 14.938,959 1.103,960 2.876,961 27.417,962 1.788,963 16.805,964 19.762,965 7.94,966 34.551,967 16.079,968 0.882,969 2.386,970 29.332,971 1.565,972 17.993,973 21.159,974 8.477,975 37.006,976 17.215,977 2367,978 3934,979 12.137,980 22.262,981 28.515,982 29.754,983 30.389,984 27.829,985 27.833,986 33.557,987 6.869,988 80.925,989 26.65,990 5.512,991 5.878,992 6.84,993 5.34,994 5.314,995 6.772,996 3.071,997 19.783,998 5.037,999 9.827,1000 1.501,1001 1.566,1002 1.599,1003 1.465,1004 1.465,1005 1.766,1006 0.362,1007 4.259,1008 1.403,1009 4.015,1010 4.069,1011 3.986,1012 3.797,1013 7.444,1014 3.838,1015 3.678,1016 3.752,1017 3.541,1018 3.518,1019 7.411,1020 3.506,1021 3.583,1022 3.661,1023 3.417,1024 3.413,1025 4.943,1026 3.401,1027 3.392,1028 3.459,1029 3.267,1030 3.126,1031 4.188,1032 3.157,1033 3.088,1034 3.163,1035 2.991,1036 2.819,1037 4.129,1038 2.835,1039 2.979,1040 3.036,1041 2.765,1042 2.714,1043 3.807,1044 2.734,1045 2.741,1046 2.801,1047 2.513,1048 2.445,1049 3.661,1050 2.455,1051 2.428,1052 2.566,1053 2.143,1054 2.16,1055 3.455,1056 2.134,1057 0.24,1058 0.21,1059 0.367,1060 0.224,1061 0.174,1062 4.563,1063 0.215,1064 3.985,1065 0.093,1066 6.981,1067 0.62,1068 4.265,1069 0.166,1070 3.314,1071 4.094,1072 1.761,1073 11.783,1074 3.147,1075 1.783,1076 1.732,1077 1.981,1078 2.01,1079 1.269,1080 1.987,1081 1.656,1082 1.585,1083 1.925,1084 1.85,1085 1.179,1086 1.881,1087 1.501,1088 1.442,1089 1.688,1090 1.713,1091 0.828,1092 1.725,1093 1.336,1094 1.249,1095 1.542,1096 1.651,1097 0.674,1098 1.619,1099 1.161,1100 1.078,1101 1.441,1102 1.403,1103 0.436,1104 1.432,1105 0.954,1106 0.885,1107 1.294,1108 1.257,1109 0.369,1110 1.259,1111 0.766,1112 0.695,1113 1.058,1114 1.089,1115 0.21,1116 1.071,1117 0.519,1118 0.467,1119 0.836,1120 0.887,1122 0.875,1123 3.664,1125 4.963,1126 2.398,1127 6.488,1128 4.595,1129 8.138,1130 6.629,1131 9.861,1132 4.027,1136 3.639,1140 2.891,1144 21.203,1145 58.039,1146 109.362,1147 143.098,1148 156.608,1149 166.608,1150 166.608,1151 37.83,1152 6.176,1153 72.68,1154 72.68,1155 11,1156 12.248,1157 3,1158 2.459,1159 30.644,1160 46,1161 52,1162 0.367,1163 134.552,1164 231.56,1165 320.066,1166 2849,1168 13.121,1169 0.729,1170 0.598,1171 13.121,1172 10.771,1173 8.702,1174 0.458,1175 0.335,1176 6.257,1177 8.263,1178 6.102,1179 5.154,1180 8.702,1181 6.37,1182 7.235,1183 0.278,1184 0.167,1185 7.235,1186 4.344,1187 6.389,1188 0.173,1189 0.081,1190 6.389,1191 2.981,1192 5.481,1193 0.11,1194 0.041,1195 5.481,1196 2.05,1197 4.089,1198 0.069,1199 0.023,1200 4.089,1201 1.343,1202 0.536,1203 55.349,1204 0.287,1205 17.532,1206 1.132,1207 90,1208 294.739,1209 103.643,1210 277.503,1211 375.3,1212 258,1213 108,1214 277.752,1215 123.281,1216 275.308,1217 412.09,1218 259,1219 5.387} {0 CHEMBL45891,1 1.676,2 9.88,3 0.394,4 0.155,5 89.734,6 7.28,7 0.357,8 4.01,9 4.129,10 3.542,11 3.406,12 5.081,13 3.424,14 4.608,15 4.778,16 3.941,17 3.853,18 5.622,19 3.842,20 4.938,21 5.163,22 4.04,23 3.97,24 6.065,25 3.923,26 4.934,27 5.186,28 3.933,29 3.916,30 6,31 3.861,32 4.792,33 5.034,34 3.856,35 3.835,36 5.934,37 3.789,38 4.681,39 4.905,40 3.802,41 3.778,42 5.81,43 3.738,44 4.62,45 4.856,46 3.624,47 3.66,48 5.736,49 3.598,50 4.449,51 4.702,52 3.299,53 3.441,54 5.44,55 3.348,56 0.156,57 0.727,58 11.055,59 3.927,60 21.963,61 5.607,62 0.472,63 1.161,64 21.795,65 6.991,66 45.1,67 10.053,68 1.054,69 1.332,70 33.285,71 8.734,72 105.093,73 13.786,74 0.99,75 1.272,76 33.989,77 8.166,78 94.386,79 13.274,80 0.81,81 1.168,82 28.878,83 6.902,84 88.821,85 11.468,86 0.644,87 1.111,88 24.97,89 6.115,90 58.687,91 10.162,92 0.628,93 1.002,94 23.715,95 5.443,96 60.478,97 9.395,98 0.499,99 0.776,100 20.393,101 4.911,102 46.846,103 8.209,104 11,105 40,106 0.289,107 0.595,108 0.77,109 0.849,110 0.876,111 0.876,112 3.268,113 0.938,114 -2.5,115 -2.52,116 -2.47,117 33.3,119 5,123 1,124 4,125 1,133 1,134 1,135 1,142 1,143 1,150 4,152 4,155 1,157 2,158 4,161 2,164 5,165 1,166 2,167 2,170 3,171 2,174 3,175 1,176 1,183 4,186 3,187 1,192 1,193 7,196 3,203 5,206 3,207 1,212 4,215 1,216 1,222 2,225 1,226 1,227 2,231 856,232 17.215,233 17.215,234 17.215,235 17.215,236 17.215,237 16.09,238 18.671,239 10.025,240 17.731,241 13.738,242 13.738,243 13.738,244 13.738,245 13.738,246 12.005,247 30.015,248 4.652,249 14.695,250 3.909,251 2.127,252 1.114,253 0.656,254 0.5,255 0.5,256 3.964,261 1,262 539,263 2.55,265 108.903,266 134.988,269 93.12,270 1.654,271 36.823,274 0.83,275 1,276 1,277 1,278 1,279 1,280 0.98,281 56.5,282 247,283 4.65,284 3.586,285 6.931,286 4.226,287 3.302,288 4.587,289 1.041,290 11.65,291 3.05,292 4.153,293 3.168,294 6.553,295 3.961,296 3.023,297 3.352,298 0.4,299 10.234,300 2.826,301 3.748,302 2.764,303 5.961,304 3.537,305 2.587,306 2.956,308 8.288,309 2.464,310 3.425,311 2.468,312 5.437,313 3.26,314 2.312,315 2.464,317 6.993,318 2.177,319 3.055,320 2.241,321 5.179,322 2.836,323 1.905,324 2.322,326 5.862,327 1.765,328 3.025,329 1.974,330 4.799,331 2.53,332 1.62,333 2.1,335 4.746,336 1.476,337 2.73,338 1.55,339 4.224,340 2.449,341 1.544,342 1.757,343 3.708,344 1.398,345 2.473,346 1.491,347 4.071,348 2.371,349 1.409,350 1.47,351 3.141,352 1.339,353 2.393,354 1.28,355 3.596,356 2,357 1.04,358 1.371,359 2.883,360 1,361 2.093,362 1.201,363 3.335,364 1.944,365 1,366 1,367 2.136,368 0.936,369 2,370 1,371 3.247,372 1.684,373 0.783,374 0.995,376 1.922,377 0.703,378 1.55,379 0.885,380 2.991,381 1.385,382 0.542,383 0.546,385 0.907,386 0.453,387 1.23,388 0.552,389 2.808,390 0.941,391 0.025,392 0.028,394 0.06,395 0.022,396 0.899,397 0.116,398 2.577,399 0.648,400 -0.186,401 -0.199,403 -0.369,404 -0.156,405 0.627,406 -0.44,407 2.313,408 0.328,409 -0.612,410 -0.71,412 -1.423,413 -0.572,414 11.333,415 0.453,416 0.572,417 0.023,418 26.5,419 1.06,420 8.5,421 0.34,422 18,423 0.72,424 24.134,425 0.965,426 29.467,427 0.614,428 19.01,429 0.76,430 4.711,431 0.188,432 7.475,433 0.299,434 0.088,436 0.388,437 1.019,438 1.657,439 0.839,440 1.282,441 1.001,442 1.053,443 0.97,444 1.234,445 0.96,446 1.196,447 0.892,448 1.095,449 0.799,450 1.133,451 0.875,452 1.05,453 0.735,454 0.996,455 0.967,456 0.893,457 0.921,458 0.85,459 0.885,460 0.869,461 0.945,462 0.991,463 0.936,464 0.865,465 0.968,466 0.879,467 0.94,468 1.127,469 1.044,470 1.022,471 0.891,472 1.03,473 0.936,474 1.15,475 1.177,476 1.11,477 0.841,478 1.159,479 0.965,480 1.015,481 1.172,482 1.098,483 0.809,484 1.147,485 4,486 0.098,487 3.111,488 2.236,489 1.384,490 0.681,491 0.536,492 0.385,493 0.171,494 0.149,495 6978,496 18058,497 2.13,498 47.9,499 6,500 6,501 1,502 2,503 4,505 4,507 1.682,508 2,509 3.277,510 1.855,512 1,515 80.427,516 1.676,517 3.458,518 4.471,519 4.929,520 5.085,521 5.085,522 2.744,523 4.164,524 4.613,525 3.408,526 1022.26,527 7.989,528 12007.6,530 1,533 268.078,534 1.388,535 4.579,536 0.143,537 0.008,538 0.078,539 0.055,540 0.037,541 0.019,542 0.016,543 0.015,544 0.009,545 0.01,546 0.39,547 0.17,548 1,549 0.739,550 119.207,551 -0.158,552 -0.286,553 0.029,554 -0.038,555 -0.137,556 0.027,557 -0.045,558 -0.005,559 -0.044,560 -0.077,561 -0.095,562 -0.071,563 0.223,564 -0.135,565 0.105,566 -0.055,567 0.187,568 -0.014,569 0.044,570 0.066,571 0.077,572 0.08,573 0.042,574 0.083,575 0.012,576 0.028,577 0.043,578 0.086,579 0.043,580 0.081,581 -0.036,582 -0.012,583 -0.088,584 -0.048,585 -0.035,586 -0.07,587 -0.05,588 -0.051,589 -0.218,590 -0.174,591 -0.009,592 -0.219,593 -0.087,595 -0.204,596 -0.162,597 -0.031,598 -0.192,599 2.501,600 4.227,601 0.8,602 21.469,603 1.016,604 1.147,605 1.268,606 1.607,607 0.619,608 3.367,609 3.714,610 4.06,611 4.357,612 4.554,613 4.663,614 4.82,615 4.984,616 5.05,617 5.106,618 5.77,619 0.598,620 349.44,621 3.367,622 4.92,623 5.802,624 6.701,625 7.601,626 8.509,627 9.418,628 10.331,629 11.243,630 12.16,631 10.4,633 1,635 3,636 2,637 2,638 3,640 1,641 1,642 10,645 1,648 48,649 10,651 28,652 51,653 16,654 5,659 4,660 5,663 1,666 9,668 9,670 5,671 11,679 1,680 1,681 23,682 8,683 4,684 9,686 1,687 5,689 0.75,690 4,691 1,692 2,693 1,696 1,698 2,699 2,709 3,710 1,711 3,715 25,718 3,719 6,720 1,721 1,722 5,729 8.3,730 3,733 1,735 12.5,736 7.9,737 5.528,738 2.982,739 2.187,740 1.29,741 0.882,742 4.777,743 9.736,744 3.526,745 4.082,746 4.69,747 5.291,748 5.765,749 6.145,750 6.562,751 6.956,752 7.035,753 7.249,754 0.857,755 41,756 9.382,758 4.255,759 7.887,760 17.798,762 15.468,764 2.387,765 59.667,769 223.651,770 36.097,771 70.266,773 139.05,775 36.097,776 362.701,777 70.266,779 12.673,780 128.05,781 113.243,782 12.662,783 14.099,784 188.338,786 223.651,787 106.364,788 139.05,790 176.567,791 47.084,792 139.05,793 35.668,794 2.328,795 68.367,797 223.651,798 209.316,799 36.097,801 223.651,802 18.86,803 19.136,804 18.011,805 189.407,806 223.651,807 209.316,808 36.097,809 0.582,810 0.362,811 0.202,812 0.105,813 21,814 9,815 0.078,816 4,817 1,818 1.1,819 3.675,820 217.24,821 0.1,822 20,823 112.096,825 16.972,826 7.036,827 3.08,828 1.119,829 207.417,830 2.971,831 12.958,833 0.669,834 1.576,835 146.061,836 469.064,837 33,843 48.771,844 55.066,845 0.3,846 0.619,847 0.8,848 0.882,849 0.91,850 0.91,851 4.8,852 1.409,853 5.796,854 3.708,855 4.394,856 4.766,857 1.249,858 6.661,859 4.256,860 5.971,861 1.04,862 7.388,863 3.141,864 4.007,865 4.59,867 7.664,868 3.798,869 7.276,870 1,871 9.085,872 2.883,873 6.033,874 6.931,875 1.224,876 10.82,877 5.759,878 8.621,879 0.783,880 10.843,881 2.136,882 6.524,883 7.705,885 12.675,886 6.163,887 10.008,888 0.542,889 12.641,890 1.922,891 7.999,892 9.529,893 1.268,894 15.349,895 7.581,896 11.424,897 0.025,898 14.466,899 0.907,900 8.876,901 10.729,903 17.538,904 8.365,905 12.863,906 -0.186,907 16.311,908 0.06,909 10.149,910 12.364,911 1.324,912 20.055,913 9.576,914 3.302,915 -0.612,916 18.17,917 -0.369,918 11.194,919 13.751,921 22.382,922 10.529,923 3.023,924 11.65,925 20.04,926 -1.423,927 12.395,928 15.315,929 1.383,930 24.845,931 11.662,932 2.587,933 10.234,934 21.92,935 4.587,936 13.512,937 16.781,939 27.233,940 12.69,941 2.312,942 8.288,943 23.806,944 3.352,945 14.691,946 18.318,947 1.444,948 29.679,949 13.795,950 1.905,951 6.993,952 25.698,953 2.956,954 15.839,955 19.816,957 32.095,958 14.858,959 1.62,960 5.862,961 27.595,962 2.464,963 17.013,964 21.344,965 1.506,966 34.536,967 15.954,968 1.544,969 4.746,970 29.497,971 2.322,972 18.177,973 22.857,975 36.966,976 17.035,977 6654,978 10869,979 18.898,980 29.699,981 42.408,982 43.211,983 44.077,984 42.198,985 42.182,986 49.894,987 2.882,988 125.06,989 39.219,990 5.65,991 5.586,992 6.733,993 5.333,994 5.302,995 7.587,996 2.082,997 19.375,998 5.05,999 10.931,1000 1.515,1001 1.543,1002 1.574,1003 1.507,1004 1.506,1005 1.782,1006 0.103,1007 4.466,1008 1.401,1009 4.113,1010 4.164,1011 4.088,1012 3.917,1013 6.498,1014 3.954,1015 3.859,1016 3.917,1017 3.742,1018 3.729,1019 6.453,1020 3.719,1021 3.789,1022 3.816,1023 3.69,1024 3.6,1025 6.399,1026 3.622,1027 3.365,1028 3.439,1029 3.276,1030 3.122,1031 5.155,1032 3.148,1033 3.207,1034 3.269,1035 3.048,1036 2.968,1037 4.596,1038 2.968,1039 3.146,1040 3.225,1041 3.01,1042 2.941,1043 4.412,1044 2.915,1045 3.111,1046 3.206,1047 2.866,1048 2.892,1049 4.329,1050 2.91,1051 2.848,1052 2.913,1053 2.732,1054 2.586,1055 4.019,1056 2.613,1057 0.166,1058 0.128,1059 0.248,1060 0.151,1061 0.118,1062 4.65,1063 0.164,1064 3.586,1065 0.037,1066 6.931,1067 0.416,1068 4.226,1069 0.109,1070 3.302,1071 4.587,1072 1.041,1073 11.65,1074 3.05,1075 1.889,1076 1.834,1077 2.096,1078 2.061,1079 1.477,1080 2.066,1081 1.77,1082 1.722,1083 1.841,1084 1.962,1085 1.162,1086 1.94,1087 1.6,1088 1.564,1089 1.78,1090 1.819,1091 0.99,1092 1.806,1093 1.501,1094 1.455,1095 1.653,1096 1.775,1097 0.852,1098 1.74,1099 1.178,1100 1.104,1101 1.513,1102 1.461,1103 0.825,1104 1.449,1105 1.153,1106 1.064,1107 1.468,1108 1.398,1109 0.715,1110 1.429,1111 1.125,1112 1.056,1113 1.348,1114 1.376,1115 0.417,1116 1.403,1117 0.838,1118 0.771,1119 1.097,1120 1.184,1121 0.144,1122 1.151,1123 4.043,1125 5.38,1126 3.045,1127 6.919,1128 5.476,1129 8.546,1130 7.627,1131 10.22,1135 29.435,1136 5.551,1137 3.448,1138 5.57,1139 -3.631,1144 28.707,1145 80.427,1146 165.962,1147 214.594,1148 236.568,1149 244.078,1150 244.078,1151 48.771,1152 7.549,1153 125.55,1154 125.55,1155 22,1156 12.672,1157 3.459,1158 2.585,1159 35.861,1160 86,1161 88,1162 0.209,1163 172.921,1164 293.72,1165 413.688,1166 18904,1168 17.389,1169 0.696,1170 0.553,1171 17.389,1172 13.823,1173 12.186,1174 0.435,1175 0.313,1176 8.573,1177 11.526,1178 8.522,1179 6.945,1180 12.186,1181 8.753,1182 10.786,1183 0.27,1184 0.169,1185 10.786,1186 6.754,1187 9.909,1188 0.174,1189 0.089,1190 9.909,1191 5.096,1192 8.35,1193 0.108,1194 0.048,1195 8.35,1196 3.694,1197 6.524,1198 0.069,1199 0.026,1200 6.524,1201 2.484,1202 0.321,1203 78.102,1204 0.23,1205 23.973,1206 0.593,1207 136,1208 415.098,1209 156.15,1210 384.515,1211 521.53,1212 362,1213 165,1214 376.402,1215 188.228,1216 372.248,1217 561.66,1218 352,1219 8.301} {0 CHEMBL52333,1 1.476,2 8.538,3 3.522,4 12.403,5 97.256,6 6.602,7 0.167,8 4.091,9 4.227,10 3.575,11 3.602,12 4.991,13 3.564,14 4.756,15 4.954,16 4.046,17 4.125,18 5.603,19 4.054,20 5.101,21 5.344,22 4.134,23 4.283,24 5.953,25 4.179,26 5.17,27 5.443,28 4.102,29 4.19,30 6.193,31 4.101,32 4.964,33 5.205,34 3.961,35 4.084,36 5.997,37 4.009,38 4.885,39 5.106,40 3.865,41 4.036,42 5.877,43 3.96,44 4.899,45 5.123,46 3.831,47 4.054,48 5.856,49 3.954,50 4.945,51 5.198,52 3.555,53 4.007,54 5.839,55 3.844,56 0.032,57 0.84,58 13.079,59 5.099,60 5.282,61 7.496,62 0.353,63 1.478,64 26.4,65 9.781,66 21.473,67 14.419,68 0.316,69 1.848,70 37.866,71 12.678,72 31.557,73 19.449,74 0.781,75 1.804,76 42.332,77 10.998,78 92.4,79 18.11,80 0.5,81 1.549,82 34.142,83 9.202,84 66,85 14.703,86 0.466,87 1.457,88 31.523,89 8.544,90 54.36,91 13.42,92 0.368,93 1.44,94 31.54,95 9.706,96 44.351,97 14.617,98 0.446,99 1.349,100 33.228,101 10.985,102 59.214,103 15.947,104 25,105 47,106 0.247,107 0.466,108 0.666,109 0.757,110 0.792,111 0.811,112 3.306,113 1.031,114 -4.73,115 -4.65,116 -4.37,117 37,118 2,119 7,120 3,121 1,123 2,133 1,139 1,140 1,141 1,143 1,150 13,152 4,153 3,155 2,157 1,158 17,161 3,162 5,166 3,167 8,170 2,171 10,174 3,176 5,182 1,183 13,188 2,193 14,198 1,201 2,203 13,208 1,210 7,212 6,219 12,222 1,229 12,231 772,232 17.806,233 17.806,234 17.806,235 17.806,236 17.806,237 17.102,238 20.652,239 10.116,240 18.072,241 14.742,242 14.742,243 14.742,244 14.742,245 14.742,246 13.414,247 25.872,248 4.623,249 15.182,250 4.279,251 2.978,252 1.784,253 1.241,254 1.028,255 0.917,256 4.012,260 1,261 1,262 500,263 3.464,265 147.35,266 183.572,267 141.69,268 78.288,269 93.053,270 1.266,271 29.465,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 56,282 222,283 4.79,284 3.996,285 7.999,286 4.694,287 3.704,288 4.257,289 1.761,290 15.342,291 3.672,292 4.51,293 3.835,294 6.989,295 4.259,296 3.305,297 3.704,298 1.083,299 11.824,300 3.146,301 3.853,302 3.39,303 6.08,304 3.561,305 2.602,306 3.105,307 0.526,308 8.615,309 2.501,310 3.626,311 2.892,312 5.959,313 3.37,314 2.415,315 2.784,316 0.064,317 8.099,318 2.31,319 3.431,320 2.508,321 5.688,322 3.309,323 2.323,324 2.505,326 7.558,327 2.26,328 3,329 2,330 5.24,331 3,332 2,333 2,335 6.076,336 2,337 2.877,338 1.958,339 5.061,340 2.722,341 1.735,342 1.915,343 5.664,344 1.71,345 2.55,346 1.928,347 4.709,348 2.405,349 1.422,350 1.536,351 4.366,352 1.391,353 2.474,354 1.68,355 4.179,356 2.279,357 1.277,358 1.423,359 3.066,360 1.273,361 2.358,362 1.253,363 3.929,364 2.161,365 1.197,366 1.329,367 2.507,368 1.15,369 2.238,370 1.142,371 3.467,372 1.75,373 0.796,374 1.086,376 1.969,377 0.751,378 1.635,379 0.949,380 3.396,381 1.405,382 0.408,383 0.477,385 0.781,386 0.403,387 1.51,388 0.649,389 3.128,390 1.147,391 0.129,392 0.158,394 0.232,395 0.129,396 1,398 2.985,399 1,405 0.699,406 -0.279,407 2.861,408 0.684,409 -0.315,410 -0.317,412 -0.989,413 -0.314,414 12.267,415 0.472,416 0.775,417 0.03,418 25.5,419 0.981,420 7.5,421 0.288,422 18,423 0.692,424 31.109,425 1.196,426 29.733,427 0.551,428 16.441,429 0.632,430 3.565,431 0.137,432 9.004,433 0.346,434 0.136,435 0.041,436 0.391,437 0.68,438 1.55,439 0.863,440 1.25,441 0.488,442 1.101,443 0.438,444 1.102,445 0.828,446 1.05,447 0.419,448 1,449 0.678,450 1.28,451 0.888,452 1.185,453 0.598,454 1.08,455 1.173,456 0.953,457 0.92,458 0.809,459 1.093,460 0.815,461 1.587,462 1.014,463 1.133,464 0.899,465 1.49,466 0.933,467 1.895,468 1.052,469 1.345,470 0.977,471 1.817,472 1.06,473 1.554,474 1.11,475 1.276,476 1.153,477 1.569,478 1.167,479 1.562,480 0.945,481 1.296,482 1.106,483 1.828,484 1.172,485 6.5,486 0.073,487 3.778,488 2.757,489 2.338,490 1.077,491 0.782,492 0.492,493 0.305,494 0.166,495 7217,496 13569,497 2.158,498 51.9,499 19,500 4,503 1,505 4,507 1.698,508 1.987,509 3.051,510 -0.332,512 1,515 79.719,516 1.476,517 2.777,518 3.971,519 4.514,520 4.727,521 4.838,522 2.493,523 4.133,524 4.672,525 3.193,526 1037.59,527 8.137,528 12132.3,530 1,532 1,533 310.764,534 1.651,535 4.614,536 0.217,537 0.012,538 0.08,539 0.057,540 0.052,541 0.027,542 0.022,543 0.014,544 0.013,545 0.012,546 0.506,547 0.17,548 0.88,549 1.166,550 122.795,551 -0.005,552 -0.215,553 0.086,554 -0.039,555 0.014,556 0.022,557 0.289,558 0.099,559 0.13,560 0.058,561 0.102,562 0.062,563 0.131,564 -0.22,565 0.076,566 -0.155,567 0.095,568 -0.065,569 0.122,570 0.041,571 0.116,572 0.084,573 0.134,574 0.1,575 -0.192,576 0.058,577 -0.088,578 0.036,579 -0.088,580 0.001,581 -0.372,582 0.058,583 -0.288,584 -0.026,585 -0.257,586 -0.124,587 -0.241,588 -0.037,589 -0.255,590 -0.155,591 -0.157,592 -0.193,593 -0.255,594 -0.007,595 -0.291,596 -0.111,597 -0.208,598 -0.194,599 1.893,600 5.954,601 0.692,602 19.13,603 0.994,604 1.137,605 3.505,606 12.285,607 0.631,608 3.434,609 3.871,610 4.29,611 4.7,612 4.997,613 5.236,614 5.416,615 5.541,616 5.697,617 5.829,618 5.181,619 0.59,620 356.52,621 3.434,622 5.043,623 5.974,624 6.934,625 7.888,626 8.856,627 9.818,628 10.788,629 11.754,630 12.726,631 7.4,634 2,635 1,638 1,639 1,640 3,642 5,648 54,649 7,651 30,652 58,653 20,654 3,657 1,659 5,660 10,662 1,663 2,664 1,665 1,666 5,667 3,668 7,670 5,671 15,672 3,673 2,676 2,678 2,679 1,680 1,681 28,682 5,683 1,684 6,686 1,687 4,688 1,689 0.4,690 2,698 3,699 3,700 2,701 1,711 2,713 2,715 26,719 9,722 3,723 2,724 1,729 3.7,732 2,735 13.083,736 10.183,737 5.583,738 4.063,739 1.111,740 1.137,741 0.977,742 3.761,743 9.225,744 3.57,745 4.115,746 4.69,747 5.26,748 5.663,749 6.096,750 6.407,751 6.698,752 6.927,753 7.054,754 0.833,755 48,756 9.817,758 4.508,759 7.599,760 19.508,762 18.078,764 2.099,765 54.583,767 1,768 1,769 317.82,770 55.997,771 39.82,773 50.29,775 55.997,776 368.11,777 39.82,778 17.65,779 28.202,781 74.108,782 21.87,783 4.276,784 317.82,786 317.82,787 95.816,788 50.29,790 270.735,791 97.374,793 70.05,794 8.98,795 16.786,797 317.82,798 90.11,799 55.997,801 317.82,802 38.346,803 23.899,804 16.786,805 67.075,806 317.82,807 90.11,808 55.997,809 0.594,810 0.377,811 0.228,812 0.129,813 28,814 12,815 0.086,816 5,817 6,818 1.5,819 3.625,820 252.94,821 0.667,822 15,823 116.211,825 16.796,826 5.822,827 2.225,829 73.324,831 4.861,832 3.484,833 2.088,835 16.786,836 463.926,837 34.5,840 25.831,842 -0.424,843 53.665,844 61.394,845 0.257,846 0.483,847 0.69,848 0.784,849 0.821,850 0.841,851 4.922,852 1.422,853 6.033,854 5.664,855 4.554,856 4.8,857 2.197,858 7.026,859 4.499,860 6.129,861 1.277,862 7.708,863 4.366,864 4.443,865 4.783,866 1.404,867 8.425,868 4.372,869 7.482,870 1.197,871 9.494,872 3.066,873 6.354,874 6.881,875 2.804,876 11.611,877 6.247,878 8.871,879 0.796,880 11.351,881 2.507,882 7.083,883 7.711,884 2.647,885 13.881,886 6.966,887 10.302,888 0.408,889 13.256,890 1.969,891 8.536,892 9.344,893 3.665,894 16.691,895 8.392,896 11.76,897 0.129,898 15.196,899 0.781,900 9.608,901 10.522,902 3.851,903 19.266,904 9.459,905 13.239,907 17.164,908 0.232,909 10.928,910 12.009,911 4.661,912 21.996,913 10.763,914 3.704,915 -0.315,916 19.153,918 12.133,919 13.33,920 5.029,921 24.669,922 11.964,923 3.305,924 15.342,925 21.159,926 -0.989,927 13.421,928 14.773,929 5.726,930 27.387,931 13.241,932 2.602,933 11.824,934 23.179,935 4.257,936 14.677,937 16.155,938 6.188,939 30.093,940 14.493,941 2.415,942 8.615,943 25.21,944 3.704,945 15.961,946 17.587,947 6.825,948 32.813,949 15.77,950 2.323,951 8.099,952 27.249,953 3.105,954 17.238,955 18.997,956 7.336,957 35.532,958 17.043,959 2,960 7.558,961 29.295,962 2.784,963 18.525,964 20.429,965 7.94,966 38.255,967 18.325,968 1.735,969 6.076,970 31.347,971 2.505,972 19.812,973 21.853,974 8.477,975 40.979,976 19.607,977 6787,978 9442,979 19.997,980 34.069,981 47.804,982 49.529,983 50.194,984 46.684,985 46.624,986 52.558,987 6.869,988 152.2,989 45.391,990 5.79,991 5.996,992 7.759,993 5.77,994 5.704,995 6.935,996 3.071,997 23.488,998 5.672,999 12.72,1000 1.593,1001 1.651,1002 1.673,1003 1.556,1004 1.554,1005 1.752,1006 0.229,1007 5.073,1008 1.513,1009 4.154,1010 4.197,1011 4.092,1012 4.054,1013 7.444,1014 4.052,1015 3.942,1016 3.99,1017 3.883,1018 3.754,1019 7.411,1020 3.787,1021 3.624,1022 3.7,1023 3.508,1024 3.445,1025 4.91,1026 3.44,1027 3.579,1028 3.656,1029 3.405,1030 3.414,1031 4.398,1032 3.401,1033 3.316,1034 3.376,1035 3.179,1036 3.096,1037 4.167,1038 3.101,1039 3.228,1040 3.304,1041 3.039,1042 3.078,1043 4.112,1044 3.073,1045 3.065,1046 3.124,1047 2.991,1048 2.887,1049 3.714,1050 2.87,1051 3.039,1052 3.118,1053 2.848,1054 2.795,1055 3.604,1056 2.815,1057 0.16,1058 0.133,1059 0.267,1060 0.156,1061 0.123,1062 4.79,1063 0.142,1064 3.996,1065 0.059,1066 7.999,1067 0.511,1068 4.694,1069 0.122,1070 3.704,1071 4.257,1072 1.761,1073 15.342,1074 3.672,1075 1.862,1076 1.815,1077 2.06,1078 2.009,1079 1.507,1080 2.014,1081 1.775,1082 1.726,1083 1.954,1084 1.984,1085 1.325,1086 1.98,1087 1.71,1088 1.668,1089 1.906,1090 1.855,1091 1.202,1092 1.865,1093 1.609,1094 1.533,1095 1.863,1096 1.802,1097 1.155,1098 1.835,1099 1.467,1100 1.407,1101 1.642,1102 1.675,1103 0.947,1104 1.686,1105 1.262,1106 1.192,1107 1.562,1108 1.445,1109 0.756,1110 1.489,1111 1.144,1112 1.066,1113 1.38,1114 1.441,1115 0.54,1116 1.424,1117 0.992,1118 0.939,1119 1.296,1120 1.266,1121 0.508,1122 1.261,1123 4.111,1125 5.517,1126 3.434,1127 7.14,1128 5.974,1129 8.87,1130 8.223,1131 10.658,1132 4.046,1136 9.1,1139 2.363,1140 3.109,1141 0.127,1144 31.837,1145 79.719,1146 149.976,1147 214.441,1148 243.744,1149 255.254,1150 261.254,1151 49.333,1152 8.113,1153 72.68,1154 72.68,1155 27,1156 13.203,1157 3,1158 2.459,1159 33.66,1160 85,1161 82,1162 0.212,1163 189.11,1164 332.88,1165 453.189,1166 33022,1168 18.052,1169 0.694,1170 0.606,1171 18.052,1172 15.754,1173 12.569,1174 0.419,1175 0.344,1176 10.198,1177 12.148,1178 9.953,1179 8.21,1180 12.569,1181 10.308,1182 11.897,1183 0.253,1184 0.189,1185 11.897,1186 8.874,1187 11.025,1188 0.153,1189 0.1,1190 11.025,1191 7.22,1192 10.368,1193 0.095,1194 0.059,1195 10.368,1196 6.435,1197 8.626,1198 0.059,1199 0.034,1200 8.626,1201 4.961,1202 0.316,1203 78.459,1204 0.224,1205 24.142,1206 0.634,1207 154,1208 360.739,1209 168.309,1210 345.814,1211 485.75,1212 324,1213 196,1214 375.385,1215 212.613,1216 375.836,1217 573.57,1218 356,1219 6.638} {0 CHEMBL589549,1 1.438,2 7.167,3 1.782,4 3.174,5 70.652,6 6.953,7 0.476,8 3.687,9 3.83,10 3.23,11 3.187,12 4.634,13 3.168,14 4.305,15 4.512,16 3.632,17 3.673,18 5.167,19 3.619,20 4.56,21 4.817,22 3.496,23 3.711,24 5.354,25 3.578,26 4.506,27 4.828,28 3.289,29 3.505,30 5.258,31 3.371,32 4.156,33 4.417,34 3.158,35 3.345,36 4.972,37 3.244,38 4.124,39 4.378,40 3.156,41 3.326,42 4.968,43 3.241,44 4.08,45 4.337,46 2.971,47 3.243,48 4.874,49 3.123,50 3.93,51 4.233,52 2.345,53 2.948,54 4.604,55 2.739,56 0.023,57 0.593,58 8.119,59 2.844,60 6.478,61 4.401,62 0.214,63 0.991,64 16.186,65 5.422,66 14.519,67 8.242,68 0.193,69 1.082,70 21.659,71 7.08,72 20.453,73 11.16,74 0.329,75 0.911,76 21.893,77 5.754,78 25.071,79 9.714,80 0.144,81 0.734,82 14.543,83 4.164,84 15.018,85 6.879,86 0.175,87 0.728,88 14.114,89 3.653,90 15.433,91 6.219,92 0.146,93 0.668,94 13.467,95 3.746,96 13.42,97 6.234,98 0.144,99 0.491,100 11.97,101 3.42,102 11.929,103 5.63,104 2,105 31,106 0.265,107 0.576,108 0.773,109 0.857,110 0.878,111 0.878,112 2.962,113 0.957,114 -4.34,115 -4.28,116 -4.03,117 37.1,119 4,120 2,122 1,124 1,133 1,134 1,135 1,142 1,143 1,150 6,152 3,155 1,157 2,158 8,161 2,164 1,166 3,167 1,170 1,171 2,174 2,176 1,183 5,193 8,203 7,212 2,231 330,232 12.464,233 12.464,234 12.464,235 12.464,236 12.464,237 11.262,238 12.649,239 7.149,240 12.804,241 10.387,242 10.387,243 10.387,244 10.387,245 10.387,246 8.608,247 20,248 3.407,249 10.944,250 3.691,251 2.002,252 0.936,253 0.479,254 0.364,255 0.364,256 3.66,260 1,261 1,262 296,263 2.121,265 103.702,266 84.004,269 60.688,270 0.963,271 10.284,273 1,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 38.5,282 129,283 4.601,284 3.227,285 6.689,286 4.11,287 3.164,288 4.566,289 0.4,290 10.793,291 3.023,292 4.033,293 3.035,294 6.273,295 3.978,296 2.999,297 3.186,299 9.572,300 2.908,301 3.675,302 2.465,303 5.619,304 3.266,305 2.343,306 2.954,308 7.299,309 2.162,310 3.05,311 1.962,312 5.059,313 2.885,314 1.905,315 2.323,317 5.914,318 1.865,319 2.95,320 1.574,321 4.514,322 2.47,323 1.553,324 1.975,326 4.357,327 1.449,328 2.715,329 1.534,330 4.243,331 2.445,332 1.484,333 1.785,335 3.703,336 1.398,337 2.474,338 1.327,339 4.09,340 2.193,341 1.261,342 1.472,343 3.55,344 1.172,345 2.242,346 0.891,347 3.357,348 1.768,349 0.852,350 1.158,351 1.994,352 0.779,353 1.659,354 0.655,355 3.26,356 1.629,357 0.641,358 0.651,359 1.593,360 0.633,361 1.205,362 0.118,363 2.875,364 0.914,365 -0.016,366 -0.018,367 -0.042,368 -0.015,369 0.758,370 -0.415,371 2.365,372 0.367,373 -0.554,374 -0.656,376 -1.375,377 -0.507,378 0.584,379 -0.608,380 2.267,381 0.246,382 -0.691,383 -0.854,385 -1.825,386 -0.647,387 0.163,388 -1.094,389 2,390 -0.161,391 -1.13,392 -1.258,394 -3.283,395 -1.091,396 -0.016,397 -1.169,398 1.934,399 -0.313,400 -1.232,401 -1.389,403 -3.491,404 -1.127,405 -0.29,406 -1.332,407 1.623,408 -0.351,409 -1.343,410 -1.713,412 -3.709,413 -1.334,414 8.5,415 0.472,416 0.448,417 0.025,418 21.75,419 1.208,420 8.5,421 0.472,422 13.25,423 0.736,424 14.577,425 0.81,426 19.7,427 0.563,428 11.29,429 0.627,430 3.528,431 0.196,432 5.282,433 0.293,434 0.059,436 0.4,437 0.929,438 1.632,439 0.813,440 1.225,441 0.69,442 1.037,443 0.862,444 0.981,445 0.905,446 0.966,447 0.65,448 0.945,449 0.665,450 1.303,451 1.016,452 1.33,453 0.546,454 1.238,455 1.024,456 0.673,457 0.833,458 0.66,459 1.017,460 0.711,461 1.212,462 1.08,463 1.04,464 0.989,465 1.39,466 0.99,467 1.577,468 0.993,469 1.178,470 0.9,471 1.794,472 0.971,473 1.397,474 1.128,475 1.272,476 1.137,477 1.535,478 1.179,479 1.259,480 0.897,481 1.325,482 1.112,483 1.257,484 1.21,485 3.5,487 2.222,488 1.167,489 0.644,490 0.323,491 0.248,492 0.159,493 0.068,494 0.016,495 3046,496 5940,497 2.253,498 48.6,499 7,500 4,502 2,503 1,505 3,507 1.587,508 2.16,509 2.846,510 -0.225,512 1,513 1,514 1,515 50.323,516 1.438,517 3.128,518 4.193,519 4.651,520 4.765,521 4.765,522 2.177,523 4.17,524 4.149,525 2.936,526 449.154,527 7.037,528 4137.49,529 1,530 1,532 1,533 179.525,534 1.233,535 4.124,536 0.167,538 0.072,539 0.049,540 0.032,541 0.018,542 0.014,543 0.011,544 0.011,545 0.016,546 0.389,547 0.67,548 1,549 0.463,550 74.969,551 -0.016,552 -0.348,553 0.098,554 -0.105,555 0.173,556 -0.005,557 0.156,558 0.185,559 0.042,560 0.073,561 0.237,562 0.046,563 0.187,564 -0.323,565 -0.067,566 -0.322,567 0.306,568 -0.244,569 0.079,570 0.194,571 0.18,572 0.232,573 0.062,574 0.222,575 -0.182,576 -0.068,577 -0.069,578 -0.019,579 -0.275,580 -0.027,581 -0.364,582 0.073,583 -0.192,584 0.032,585 -0.493,586 -0.042,587 -0.309,588 -0.099,589 -0.301,590 -0.184,591 -0.423,592 -0.233,593 -0.292,594 -0.004,595 -0.35,596 -0.18,597 -0.33,598 -0.259,599 0.775,600 1.398,601 0.889,602 9.111,603 0.995,604 1.142,605 3.111,606 9.679,607 0.646,608 3.091,609 3.466,610 3.807,611 4.127,612 4.248,613 4.277,614 4.369,615 4.522,616 4.554,617 4.585,618 4.376,619 0.608,620 243.35,621 3.091,622 4.654,623 5.541,624 6.447,625 7.347,626 8.254,627 9.157,628 10.064,629 10.967,630 11.874,631 14.3,633 1,635 3,636 2,637 2,638 3,640 1,641 1,642 10,645 1,648 35,649 10,651 21,652 38,653 13,654 5,659 4,660 6,666 5,667 2,668 5,670 5,671 8,672 2,680 1,681 17,682 4,683 1,684 5,686 1,687 5,689 0.5,696 1,698 3,699 2,711 2,713 1,715 18,719 4,720 1,722 3,735 8.333,736 6.467,737 3.778,738 2.299,739 2.081,740 1.301,741 1.013,742 2.261,743 8.986,744 3.296,745 3.917,746 4.542,747 5.148,748 5.564,749 5.841,750 6.195,751 6.535,752 6.43,753 6.555,754 0.8,755 24,756 6.674,758 2.943,759 7.417,760 13.381,762 12.011,764 1.917,765 34.5,766 0.004,769 188.338,770 41.959,771 70.266,775 41.959,776 188.338,777 70.266,778 8.396,779 10.138,781 102.243,782 12.662,783 2.328,784 164.795,786 188.338,787 112.225,790 153.024,791 35.313,793 33.134,794 10.724,795 68.367,797 188.338,798 70.266,799 41.959,801 188.338,802 16.325,803 27.533,804 18.011,805 50.357,806 188.338,807 70.266,808 41.959,809 0.596,810 0.361,811 0.203,812 0.097,813 19,814 7,815 0.053,816 2,817 3,818 1.313,819 3.161,820 140.672,821 0.375,822 15,823 75.059,825 10.596,826 3.84,827 1.621,828 1.79,829 68.367,830 3.422,831 13.04,833 0.901,834 1.934,835 18.011,836 300.563,837 26,843 34.811,844 39.983,845 0.28,846 0.61,847 0.818,848 0.907,849 0.929,850 0.929,851 4.57,852 0.852,853 5.541,854 3.55,855 4.143,856 4.6,857 0.278,858 6.395,859 4.047,860 5.764,861 0.641,862 7.122,863 1.994,864 3.761,865 4.46,867 7.334,868 3.635,869 7.08,870 -0.016,871 8.8,872 1.593,873 5.778,874 6.826,875 0.05,876 10.46,877 5.598,878 8.433,879 -0.554,880 10.535,881 -0.042,882 6.256,883 7.613,885 12.247,886 6.047,887 9.826,888 -0.691,889 12.308,890 -1.375,891 7.725,892 9.453,893 0.008,894 14.867,895 7.47,896 11.244,897 -1.13,898 14.106,899 -1.825,900 8.579,901 10.657,903 16.989,904 8.292,905 12.683,906 -1.232,907 15.922,908 -3.283,909 9.841,910 12.3,911 0.001,912 19.439,913 9.511,914 3.164,915 -1.343,916 17.752,917 -3.491,918 10.856,919 13.686,921 21.697,922 10.49,923 2.999,924 10.793,925 19.593,926 -3.709,927 12.038,928 15.252,930 24.088,931 11.631,932 2.343,933 9.572,934 21.443,935 4.566,936 13.121,937 16.715,939 26.404,940 12.675,941 1.905,942 7.299,943 23.299,944 3.186,945 14.273,946 18.252,948 28.775,949 13.786,950 1.553,951 5.914,952 25.16,953 2.954,954 15.385,955 19.747,957 31.116,958 14.858,959 1.484,960 4.357,961 27.026,962 2.323,963 16.526,964 21.273,966 33.482,967 15.958,968 1.261,969 3.703,970 28.895,971 1.975,972 17.652,973 22.782,975 35.836,976 17.041,977 2807,978 4040,979 14.622,980 22.597,981 32.515,982 32.434,983 33.069,984 32.432,985 32.401,986 40.137,987 0.8,988 97.55,989 30.777,990 5.601,991 5.227,992 6.207,993 5.197,994 5.164,995 7.566,996 0.8,997 17.923,998 5.023,999 4.979,1000 1.548,1001 1.544,1002 1.575,1003 1.544,1004 1.543,1005 1.911,1006 0.038,1007 4.645,1008 1.466,1009 4.102,1010 4.158,1011 4.069,1012 3.947,1013 5.158,1014 3.959,1015 3.98,1016 4.032,1017 3.876,1018 3.844,1019 4.559,1020 3.859,1021 3.418,1022 3.505,1023 3.328,1024 3.167,1025 4.411,1026 3.194,1027 3.156,1028 3.248,1029 3.008,1030 2.951,1031 4.093,1032 2.945,1033 2.979,1034 3.078,1035 2.802,1036 2.755,1037 3.774,1038 2.756,1039 2.912,1040 3.013,1041 2.686,1042 2.709,1043 3.552,1044 2.694,1045 2.793,1046 2.902,1047 2.533,1048 2.582,1049 3.308,1050 2.554,1051 2.608,1052 2.709,1053 2.396,1054 2.387,1055 3.125,1056 2.379,1057 0.219,1058 0.154,1059 0.319,1060 0.196,1061 0.151,1062 4.601,1063 0.217,1064 3.227,1065 0.019,1066 6.689,1067 0.514,1068 4.11,1069 0.144,1070 3.164,1071 4.566,1072 0.4,1073 10.793,1074 3.023,1075 1.833,1076 1.783,1077 1.99,1078 2.026,1079 1.403,1080 2.002,1081 1.722,1082 1.669,1083 1.849,1084 1.891,1085 1.212,1086 1.9,1087 1.543,1088 1.485,1089 1.781,1090 1.749,1091 0.943,1092 1.746,1093 1.472,1094 1.391,1095 1.67,1096 1.681,1097 0.817,1098 1.704,1099 1.163,1100 1.077,1101 1.475,1102 1.401,1103 0.651,1104 1.431,1105 0.937,1106 0.845,1107 1.218,1108 1.221,1109 0.19,1110 1.23,1111 0.658,1112 0.564,1113 0.982,1114 0.955,1115 0.119,1116 0.973,1117 0.601,1118 0.497,1119 0.898,1120 0.9,1121 0.002,1122 0.906,1123 3.761,1125 5.118,1126 3.434,1127 6.668,1128 5.778,1129 8.306,1130 7.84,1131 9.989,1132 1.962,1136 5.488,1137 3.602,1139 2.362,1144 21.268,1145 50.323,1146 109.467,1147 146.77,1148 162.77,1149 166.77,1150 166.77,1151 18.685,1152 6.905,1153 55.63,1154 55.63,1155 21,1156 12.392,1157 3.459,1158 2.585,1159 22.687,1160 47,1161 39,1162 0.242,1163 128.159,1164 206.66,1165 304.468,1166 8355,1168 12.113,1169 0.673,1170 0.584,1171 12.113,1172 10.504,1173 8.81,1174 0.42,1175 0.319,1176 6.598,1177 8.453,1178 6.455,1179 5.323,1180 8.81,1181 6.696,1182 8.244,1183 0.266,1184 0.183,1185 8.244,1186 5.676,1187 7.444,1188 0.169,1189 0.104,1190 7.444,1191 4.557,1192 6.566,1193 0.108,1194 0.06,1195 6.566,1196 3.648,1197 4.839,1198 0.07,1199 0.033,1200 4.839,1201 2.276,1202 0.364,1203 55.288,1204 0.262,1205 17.748,1206 0.703,1207 104,1208 242.913,1209 113.519,1210 238.704,1211 340.67,1212 226,1213 127,1214 266.183,1215 138.102,1216 270.632,1217 400.18,1218 254,1219 5.426} {0 CHEMBL62350,1 1.692,2 7.158,3 1.342,4 1.8,5 67.74,6 8.267,7 0.524,8 3.575,9 3.693,10 3.233,11 3.072,12 4.783,13 3.096,14 4.082,15 4.256,16 3.634,17 3.457,18 5.29,19 3.47,20 4.244,21 4.397,22 3.738,23 3.547,24 5.586,25 3.564,26 4.367,27 4.552,28 3.605,29 3.468,30 5.826,31 3.474,32 4.158,33 4.379,34 3.249,35 3.323,36 5.335,37 3.261,38 3.97,39 4.205,40 3.042,41 3.134,42 5.081,43 3.072,44 3.766,45 3.956,46 2.939,47 2.998,48 5.024,49 2.948,50 3.729,51 3.954,52 2.529,53 2.803,54 4.937,55 2.686,56 0.07,57 0.507,58 5.126,59 2.32,60 5.109,61 2.869,62 0.34,63 0.792,64 10.688,65 3.774,66 11.893,67 4.985,68 0.246,69 0.884,70 11.96,71 4.739,72 22.304,73 5.961,74 0.692,75 0.882,76 16.485,77 4.394,78 89.384,79 5.301,80 0.323,81 0.731,82 13.333,83 4.286,84 37.102,85 5.789,86 0.267,87 0.577,88 11.914,89 3.831,90 31.808,91 5.163,92 0.175,93 0.479,94 8.525,95 3.239,96 17.448,97 4.066,98 0.214,99 0.406,100 9.331,101 3.303,102 27.136,103 4.245,104 17,105 31,106 0.317,107 0.658,108 0.711,109 0.769,110 0.822,111 0.822,112 3.012,113 0.829,114 -3.04,115 -3.04,116 -2.93,117 41.9,122 2,130 5,131 1,133 1,139 1,140 1,141 1,143 1,150 6,152 4,153 1,155 2,157 1,158 6,161 3,162 2,166 2,167 3,170 2,171 3,174 3,176 2,182 1,183 5,188 1,193 7,203 7,212 4,222 1,231 315,232 12.621,233 12.621,234 12.621,235 12.621,236 12.621,237 11.19,238 11.426,239 7.187,240 12.89,241 10.288,242 10.288,243 10.288,244 10.288,245 10.288,246 7.936,247 14.537,248 3.384,249 10.689,250 3.262,251 1.443,252 1.157,253 0.847,254 0.565,255 0.565,256 3.682,261 1,262 291,263 2,265 34.492,266 99.141,269 67.023,270 1.114,271 23.329,274 1,275 1,276 0.6,278 1,279 1,280 0.8,281 42,282 136,283 4.604,284 3.968,285 6.94,286 4.271,287 3.32,288 4.233,289 1.761,290 11.56,291 3.154,292 4.134,293 3.385,294 6.194,295 3.781,296 2.814,297 3.602,298 1.083,299 9.135,300 2.722,301 3.707,302 2.992,303 5.845,304 3.317,305 2.337,306 3.052,307 0.526,308 7.663,309 2.281,310 3.568,311 2.597,312 5.834,313 3.274,314 2.324,315 2.743,316 0.064,317 7.555,318 2.193,319 3.148,320 1.867,321 4.433,322 2.696,323 1.718,324 2.385,326 4.312,327 1.677,328 2.569,329 1.662,330 4.029,331 2.069,332 1.093,333 1.583,335 2.652,336 1.061,337 2.5,338 1.52,339 3.679,340 2,341 1,342 1.5,343 2.544,344 1,345 2.331,346 1.016,347 3.448,348 1.809,349 0.872,350 1.204,351 2.136,352 0.809,353 1.936,354 1,355 3.247,356 1.53,357 0.529,358 0.694,359 1.333,360 0.522,361 1.69,362 0.803,363 2.912,364 1.198,365 0.177,366 0.237,367 0.391,368 0.177,369 0.751,370 -0.425,371 2.409,372 0.325,373 -0.666,374 -0.895,376 -1.535,377 -0.658,378 0.5,379 -0.468,380 2,382 -1,383 -1.2,385 -2.347,386 -0.947,387 0.36,388 -0.656,389 1.765,390 -0.023,391 -1,392 -1.485,394 -2.768,395 -1,396 0.077,397 -0.941,398 1.555,399 -0.265,400 -1.256,401 -1.5,403 -3.055,404 -1.25,406 -1,407 1.533,408 -0.375,409 -1.343,410 -1.735,412 -4.073,413 -1.275,414 8.767,415 0.461,416 0.58,417 0.031,418 27,419 1.421,420 13.5,421 0.711,422 13.5,423 0.711,424 11.566,425 0.609,426 20.033,427 0.646,428 19.045,429 1.002,430 5.579,431 0.294,432 3.513,433 0.185,434 0.19,436 0.433,437 0.73,438 1.576,439 0.67,440 1.133,441 0.54,442 0.921,443 0.549,444 0.812,445 0.645,446 0.685,447 0.546,448 0.673,449 0.846,450 1.393,451 0.79,452 1.272,453 0.843,454 1.067,455 1.555,456 0.898,457 1.284,458 0.811,459 1.629,460 0.952,461 0.994,462 1.007,463 1.164,464 1.061,465 0.865,466 1.119,467 1.063,468 0.809,469 0.998,470 0.847,471 0.967,472 0.891,473 1.111,474 1.067,475 1.119,476 1.217,477 1.081,478 1.184,479 1.245,480 0.971,481 1.322,482 1.268,483 1.409,484 1.328,485 3.5,487 2.889,488 1.66,489 1.473,490 0.692,491 0.372,492 0.214,493 0.105,494 0.031,495 2938,496 8965,497 2.05,498 38.7,500 11,503 1,507 1.607,508 1.869,509 2.858,510 -0.198,512 1,513 1,514 1,515 52.455,516 1.692,517 3.511,518 3.797,519 4.107,520 4.389,521 4.389,522 2.26,523 3.116,524 4.221,525 2.946,526 503.773,527 7.208,528 4764.75,530 1,533 153.58,534 1.529,535 4.153,536 0.167,538 0.093,539 0.05,540 0.055,541 0.036,542 0.023,543 0.015,544 0.013,545 0.016,546 0.468,547 0.67,548 1,549 0.697,550 80.252,551 -0.082,552 -0.397,553 0.051,554 -0.152,555 -0.069,556 -0.045,557 0.26,558 0.328,559 0.206,560 0.246,561 0.041,562 0.215,563 0.074,564 -0.331,565 0.065,566 -0.311,567 0.058,568 -0.164,569 -0.117,570 0.111,571 -0.284,572 0.063,573 -0.082,574 -0.111,575 -0.118,576 -0.028,577 -0.197,578 -0.112,579 -0.051,580 -0.152,581 -0.152,582 0.1,583 0.022,584 0.142,585 -0.056,586 0.134,587 -0.156,588 -0.129,589 -0.179,590 -0.207,591 -0.037,592 -0.195,593 -0.186,594 -0.148,595 -0.28,596 -0.245,597 -0.159,598 -0.282,599 2.059,600 5.013,601 0.789,602 11.873,603 1.019,604 1.131,605 1.815,606 3.294,607 0.677,608 3.091,609 3.466,610 3.807,611 4.06,612 4.29,613 4.407,614 4.466,615 4.533,616 4.489,617 4.331,618 4.383,619 0.665,620 256.29,621 3.091,622 4.654,623 5.541,624 6.444,625 7.351,626 8.262,627 9.175,628 10.091,629 11.008,630 11.926,631 12.9,634 2,635 1,637 5,638 1,639 1,640 4,642 11,648 31,649 13,650 1,651 21,652 33,653 13,654 9,655 1,656 5,657 1,659 3,660 4,662 1,670 11,671 2,673 2,676 2,678 2,680 1,681 12,682 5,683 1,684 6,686 1,687 4,688 1,689 0.667,690 2,698 1,699 2,711 2,713 2,715 19,723 2,729 6.5,732 2,735 10.167,736 6.35,737 4.111,738 1.707,739 2.185,740 1.327,741 1.002,742 2.644,743 8.863,744 3.384,745 3.984,746 4.601,747 5.154,748 5.61,749 5.953,750 6.303,751 6.623,752 6.883,753 7.012,754 0.8,755 33,756 7.019,758 3.064,759 8,760 12.977,762 10.546,764 2.5,765 47.5,769 129.482,770 83.753,771 39.82,773 50.29,775 83.753,776 179.772,777 39.82,778 16.793,779 6.249,780 47.381,781 74.108,782 25.056,783 4.276,784 129.482,786 129.482,787 123.572,788 50.29,790 129.482,791 50.29,793 30.447,794 76.34,795 16.786,797 129.482,798 90.11,799 83.753,801 129.482,802 19.579,803 70.423,804 16.786,805 67.075,806 129.482,807 90.11,808 83.753,809 0.599,810 0.374,811 0.193,812 0.103,813 17,814 8,815 0.03,816 1,817 1,818 1.133,819 3.03,820 147.713,821 0.133,822 15,823 72.711,825 11.932,826 4.21,827 1.742,829 73.324,830 9.459,831 4.297,832 3.028,833 2.15,835 16.786,836 303.344,837 28.5,840 23.84,842 -0.766,843 31.596,844 35.073,845 0.342,846 0.709,847 0.766,848 0.829,849 0.886,850 0.886,851 4.642,852 0.872,853 5.565,854 2.544,855 4.143,856 4.668,857 2.197,858 6.45,859 4.066,860 5.867,861 0.529,862 7.183,863 2.136,864 3.892,865 4.511,866 1.404,867 7.483,868 3.765,869 7.191,870 0.177,871 8.903,872 1.333,873 5.814,874 6.842,875 2.804,876 10.641,877 5.645,878 8.553,879 -0.666,880 10.68,881 0.391,882 6.382,883 7.512,884 2.647,885 12.457,886 6.158,887 9.949,888 -1,889 12.49,890 -1.535,891 7.807,892 9.316,893 3.665,894 15.157,895 7.54,896 11.367,897 -1,898 14.322,899 -2.347,900 8.719,901 10.364,902 3.851,903 17.3,904 8.395,905 12.803,906 -1.256,907 16.171,908 -2.768,909 9.976,910 11.959,911 4.661,912 19.842,913 9.606,914 3.32,915 -1.343,916 18.031,917 -3.055,918 11.04,919 13.195,920 5.029,921 22.14,922 10.613,923 2.814,924 11.56,925 19.901,926 -4.073,927 12.241,928 14.698,929 5.726,930 24.622,931 11.766,932 2.337,933 9.135,934 21.778,935 4.233,936 13.373,937 16.03,938 6.188,939 26.995,940 12.842,941 2.324,942 7.663,943 23.662,944 3.602,945 14.56,946 17.494,947 6.825,948 29.454,949 13.977,950 1.718,951 7.555,952 25.552,953 3.052,954 15.723,955 18.876,956 7.336,957 31.864,958 15.085,959 1.093,960 4.312,961 27.447,962 2.743,963 16.908,964 20.323,965 7.94,966 34.314,967 16.218,968 1,969 2.652,970 29.347,971 2.385,972 18.087,973 21.731,974 8.477,975 36.742,976 17.342,977 2922,978 5210,979 13.641,980 20.977,981 33.232,982 34.761,983 34.155,984 32.46,985 32.369,986 42.467,987 6.869,988 98.564,989 31.191,990 5.55,991 5.968,992 6.742,993 5.344,994 5.32,995 7.233,996 3.071,997 19.56,998 5.154,999 9.93,1000 1.582,1001 1.655,1002 1.626,1003 1.546,1004 1.541,1005 2.022,1006 0.327,1007 4.694,1008 1.485,1009 4.057,1010 4.103,1011 4.031,1012 3.914,1013 7.444,1014 3.931,1015 3.82,1016 3.855,1017 3.76,1018 3.683,1019 7.411,1020 3.705,1021 3.476,1022 3.543,1023 3.411,1024 3.211,1025 4.96,1026 3.251,1027 3.271,1028 3.358,1029 3.146,1030 2.999,1031 4.652,1032 3.013,1033 2.935,1034 2.982,1035 2.806,1036 2.761,1037 4.071,1038 2.76,1039 2.854,1040 2.925,1041 2.687,1042 2.735,1043 3.919,1044 2.715,1045 2.795,1046 2.829,1047 2.571,1048 2.496,1049 3.674,1050 2.508,1051 2.722,1052 2.787,1053 2.567,1054 2.455,1055 3.554,1056 2.489,1057 0.219,1058 0.189,1059 0.33,1060 0.203,1061 0.158,1062 4.604,1063 0.202,1064 3.968,1065 0.084,1066 6.94,1067 0.55,1068 4.271,1069 0.15,1070 3.32,1071 4.233,1072 1.761,1073 11.56,1074 3.154,1075 1.905,1076 1.876,1077 2.02,1078 1.999,1079 1.089,1080 2.004,1081 1.714,1082 1.672,1083 1.82,1084 1.963,1085 0.903,1086 1.922,1087 1.331,1088 1.26,1089 1.608,1090 1.613,1091 0.664,1092 1.604,1093 1.187,1094 1.099,1095 1.413,1096 1.455,1097 0.474,1098 1.461,1099 1.123,1100 1.055,1101 1.342,1102 1.373,1103 0.379,1104 1.37,1105 0.886,1106 0.821,1107 1.181,1108 1.062,1109 0.218,1110 1.107,1111 0.686,1112 0.631,1113 0.96,1114 1.035,1116 0.981,1117 0.664,1118 0.615,1119 0.791,1120 0.928,1122 0.929,1123 3.761,1125 5.118,1126 2.398,1127 6.683,1128 4.727,1129 8.343,1130 6.88,1131 10.053,1132 3.054,1140 2.439,1144 20.622,1145 52.455,1146 108.851,1147 117.706,1148 127.315,1149 136.07,1150 136.07,1151 30.992,1152 6.678,1153 72.68,1154 72.68,1155 17,1156 12.436,1157 3.807,1158 3.087,1159 27.683,1160 53,1161 46,1162 0.289,1163 127.969,1164 217.68,1165 304.003,1166 5689,1168 13.569,1169 0.714,1170 0.555,1171 13.569,1172 10.545,1173 9.092,1174 0.433,1175 0.276,1176 5.686,1177 8.654,1178 5.509,1179 4.604,1180 9.092,1181 5.805,1182 8.394,1183 0.271,1184 0.14,1185 8.394,1186 4.354,1187 7.855,1188 0.179,1189 0.072,1190 7.855,1191 3.148,1192 6.082,1193 0.107,1194 0.036,1195 6.082,1196 2.055,1197 4.754,1198 0.066,1199 0.018,1200 4.754,1201 1.298,1202 0.429,1203 57.769,1204 0.271,1205 18.464,1206 0.867,1207 104,1208 342.739,1209 117.643,1210 329.21,1211 449.86,1212 306,1213 127,1214 336.681,1215 142.614,1216 340.277,1217 504.2,1218 318,1219 6.329} {0 CHEMBL68278,1 1.735,2 6.267,3 0.54,4 0.291,5 52.104,6 7.713,7 0.313,8 3.424,9 3.562,10 3.006,11 2.822,12 4.58,13 2.85,14 3.964,15 4.161,16 3.365,17 3.2,18 5.135,19 3.191,20 4.166,21 4.399,22 3.39,23 3.235,24 5.353,25 3.226,26 4.13,27 4.342,28 3.314,29 3.117,30 5.602,31 3.116,32 3.956,33 4.189,34 2.875,35 2.899,36 5.227,37 2.863,38 3.659,39 3.871,40 2.533,41 2.713,42 4.862,43 2.634,44 3.561,45 3.83,46 2.025,47 2.454,48 4.614,49 2.312,50 3.065,51 3.393,52 1.458,53 2.014,54 3.761,55 1.806,56 0.083,57 0.423,58 5.404,59 1.754,60 7.305,61 2.761,62 0.326,63 0.62,64 10.868,65 3.254,66 19.162,67 5.046,68 0.363,69 0.629,70 14.682,71 3.763,72 39.531,73 6.051,74 0.549,75 0.544,76 14.519,77 3.408,78 76.089,79 5.344,80 0.445,81 0.424,82 12.82,83 2.717,84 60.882,85 4.233,86 0.253,87 0.348,88 8.74,89 2.273,90 33.851,91 3.438,92 0.288,93 0.268,94 8.856,95 1.835,96 39.339,97 3.064,98 0.116,99 0.166,100 5.357,101 1.219,102 11.241,103 2.269,104 13,105 22,106 0.345,107 0.692,108 0.838,109 0.867,110 0.867,111 0.867,112 2.796,113 0.919,114 -1.88,115 -1.94,116 -1.94,117 33.3,118 1,119 2,123 1,133 1,139 1,140 1,141 1,142 1,150 2,152 2,153 1,155 3,156 1,158 1,161 2,162 1,164 1,170 1,171 3,174 4,176 1,182 1,183 3,188 1,193 3,198 2,203 1,208 1,217 1,231 198,232 10.129,233 10.129,234 10.129,235 10.129,236 10.129,237 9.31,238 12.384,239 6.094,240 10.378,241 7.838,242 7.838,243 7.838,244 7.838,245 7.838,246 6.481,247 16.277,248 2.805,249 8.205,250 3.02,251 1.279,252 0.546,253 0.398,254 0.398,255 0.398,256 3.438,261 1,262 195,263 2.345,265 30.375,266 34.233,269 54.002,270 0.987,271 20.903,274 1,275 1,276 0.8,277 0.5,278 1,279 1,280 0.9,281 34,282 94,283 4.476,284 3.908,285 6.748,286 4.155,287 3.194,288 4.034,289 1.725,290 10.922,291 3.061,292 3.795,293 3.327,294 5.933,295 3.436,296 2.493,297 3.071,298 1.058,299 8.142,300 2.345,301 3.374,302 2.694,303 5.175,304 2.999,305 2.011,306 2.531,307 0.214,308 5.974,309 1.966,310 2.656,311 1.967,312 3.917,313 2.538,314 1.543,315 1.672,317 3.175,318 1.532,319 2.546,320 1.388,321 3.664,322 2.056,323 1.136,324 1.538,326 2.552,327 1.042,328 2.286,329 1.295,330 3.417,331 1.835,332 0.879,333 1.16,335 2.122,336 0.833,337 1.871,338 1.031,339 3.021,340 1.511,341 0.51,342 0.634,343 1.01,344 0.504,345 1.03,346 0.369,347 2.534,348 0.837,349 -0.174,350 -0.197,351 -0.309,352 -0.174,353 1,354 0.172,355 2.223,356 0.602,357 -0.397,358 -0.516,359 -0.963,360 -0.389,361 0.243,362 -0.641,363 1.665,364 -0.1,365 -1.128,366 -1.218,367 -2.207,368 -1.133,369 -0.053,370 -0.79,371 1.485,372 -0.243,373 -1.202,374 -1.603,376 -2.875,377 -1.162,378 -0.105,379 -1.046,380 1.369,381 -0.473,382 -1.466,383 -1.912,385 -4.146,386 -1.433,387 -0.232,388 -1.549,389 1.111,390 -0.684,391 -1.63,392 -2,394 -4.619,395 -1.571,396 -0.57,397 -1.675,398 1.085,399 -0.863,400 -1.812,401 -2.033,402 -0.64,403 -5.518,404 -1.725,405 -0.874,406 -1.763,407 0.511,408 -1.031,409 -1.958,410 -2.488,411 -1.058,412 -5.747,413 -1.806,414 6.767,415 0.451,416 0.35,417 0.023,418 18.25,419 1.217,420 7.5,421 0.5,422 10.75,423 0.717,424 9.982,425 0.665,426 17.233,427 0.638,428 11.339,429 0.756,430 3.499,431 0.233,432 3.738,433 0.249,434 0.172,436 0.355,437 0.774,438 1.827,439 0.749,440 1.324,441 0.524,442 1.05,443 0.457,444 1.075,445 0.738,446 1.039,447 0.496,448 0.967,449 0.831,450 1.061,451 0.729,452 1.012,453 0.829,454 0.861,455 1.046,456 0.966,457 0.926,458 0.993,459 1.223,460 0.948,461 1.635,462 0.729,463 1.242,464 0.765,465 1.75,466 0.898,467 1.438,468 1.131,469 1.441,470 1.267,471 1.447,472 1.356,473 1.5,474 0.777,475 1.475,476 0.882,477 1.489,478 1.144,479 0.517,480 0.793,481 1.049,482 0.948,483 0.198,484 1.077,485 2.5,487 2,488 1.313,489 1.076,490 0.361,491 0.116,492 0.069,493 0.031,495 1427,496 4349,497 1.993,498 44.4,499 5,500 2,502 1,503 2,505 2,507 1.535,508 1.837,509 2.646,510 0.626,514 1,515 46.833,516 1.735,517 3.476,518 4.208,519 4.357,520 4.357,521 4.357,522 2.182,523 3.507,524 3.874,525 2.734,526 287.051,527 6.517,528 2306.93,530 1,533 128.382,534 1.506,535 3.82,536 0.156,538 0.091,539 0.06,540 0.057,541 0.03,542 0.014,543 0.017,544 0.016,546 0.441,547 0.67,548 1,549 1.506,550 57.481,551 -0.12,552 -0.48,553 0.033,554 -0.176,555 -0.028,556 -0.049,557 0.3,558 0.098,559 0.138,560 -0.006,561 0.094,562 0.008,563 0.074,564 -0.085,565 0.23,566 -0.036,567 0.044,568 0.118,569 0.186,570 -0.041,571 0.078,572 -0.059,573 0.155,574 -0.023,575 -0.335,576 0.126,577 -0.211,578 0.132,579 -0.256,580 0.012,581 -0.372,582 -0.161,583 -0.498,584 -0.278,585 -0.256,586 -0.405,587 -0.412,588 0.031,589 -0.454,590 -0.005,591 -0.331,592 -0.214,593 -0.001,594 0.016,595 -0.068,596 -0.046,597 0.055,598 -0.056,599 2.051,600 4.777,601 0.6,602 8.187,603 1.022,604 1.151,605 0.647,606 0.419,607 0.629,608 2.833,609 3.135,610 3.434,611 3.689,612 3.784,613 3.829,614 3.714,615 3.638,616 3.178,617 2.639,618 3.802,619 0.616,620 208.25,621 2.833,622 4.344,623 5.198,624 6.08,625 6.959,626 7.851,627 8.738,628 9.634,629 10.524,630 11.421,631 14.8,634 2,635 1,637 1,638 1,639 1,640 2,642 5,648 27,649 7,651 16,652 28,653 9,654 3,657 1,659 2,660 3,662 1,663 1,668 2,670 5,671 4,673 2,676 2,678 2,680 1,681 12,682 5,683 2,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 1,715 15,719 3,720 1,723 1,729 7.4,732 2,735 8.167,736 5.067,737 3.444,738 1.796,739 1.185,740 1.204,741 0.956,742 2.731,743 7.005,744 3.068,745 3.562,746 4.084,747 4.593,748 4.725,749 5.003,750 5.041,751 5.107,752 4.9,753 4.24,754 1,755 22,756 5.556,757 -0.001,758 2.369,759 8.111,760 10.267,762 8.141,764 2.611,765 39.167,766 0.002,769 117.711,770 38.684,771 54.706,773 50.29,775 38.684,776 168.001,777 54.706,778 8.825,779 28.31,781 92.17,782 21.87,783 4.276,784 105.94,786 117.711,787 93.39,788 50.29,790 94.169,791 73.832,793 67.624,794 8.98,795 16.786,797 117.711,798 104.996,799 38.684,801 117.711,802 21.24,803 20.568,804 34.796,805 67.075,806 117.711,807 104.996,808 38.684,809 0.568,810 0.348,811 0.195,812 0.099,813 11,814 5,815 0.107,816 3,817 1,818 1.222,819 2.672,820 97.69,821 0.222,822 9,823 58.603,825 10.177,826 4.026,827 1.748,829 88.21,830 1.395,831 3.869,832 2.705,833 0.67,835 34.796,836 261.391,837 20.5,840 23.294,842 -0.714,843 27.596,844 31.073,845 0.365,846 0.731,847 0.885,848 0.916,849 0.916,850 0.916,851 4.294,852 -0.174,853 5.187,854 1.01,855 3.807,856 4.241,857 2.123,858 6.033,859 3.72,860 5.472,861 -0.397,862 6.772,863 -0.309,864 3.434,865 4.06,866 1.305,867 7.029,868 3.33,869 6.773,870 -1.128,871 8.466,872 -0.963,873 5.416,874 6.321,875 2.734,876 10.17,877 5.233,878 8.116,879 -1.202,880 10.224,881 -2.207,882 5.916,883 7.033,884 2.523,885 11.985,886 5.711,887 9.497,888 -1.466,889 12.02,890 -2.875,891 7.362,892 8.741,893 3.557,894 14.646,895 7.088,896 10.903,897 -1.63,898 13.842,899 -4.146,900 8.241,901 9.838,902 3.693,903 16.781,904 7.941,905 12.328,906 -1.812,907 15.682,908 -4.619,909 9.495,910 11.347,911 4.508,912 19.279,913 9.138,914 3.194,915 -1.958,916 17.534,917 -5.518,918 10.536,919 12.61,920 4.834,921 21.552,922 10.147,923 2.493,924 10.922,925 19.396,926 -5.747,927 11.723,928 14.045,929 5.528,930 23.987,931 11.285,932 2.011,933 8.142,934 21.265,935 4.034,936 12.831,937 15.381,938 5.956,939 26.321,940 12.357,941 1.543,942 5.974,943 23.14,944 3.071,945 13.997,946 16.789,947 6.583,948 28.731,949 13.477,950 1.136,951 3.175,952 25.02,953 2.531,954 15.134,955 18.157,956 7.065,957 31.094,958 14.576,959 0.879,960 2.552,961 26.904,962 1.672,963 16.293,964 19.555,965 7.656,966 33.493,967 15.692,968 0.51,969 2.122,970 28.791,971 1.538,972 17.443,973 20.937,974 8.166,975 35.87,976 16.801,977 1520,978 2766,979 10.345,980 16.977,981 24.071,982 25.273,983 25.251,984 23.498,985 23.535,986 29.279,987 5.995,988 67.795,989 22.565,990 5.418,991 5.798,992 6.607,993 5.229,994 5.194,995 6.706,996 3.025,997 18.435,998 4.951,999 7.388,1000 1.504,1001 1.58,1002 1.578,1003 1.469,1004 1.471,1005 1.83,1006 0.375,1007 4.237,1008 1.41,1009 3.995,1010 4.05,1011 3.965,1012 3.771,1013 7.445,1014 3.814,1015 3.678,1016 3.752,1017 3.539,1018 3.517,1019 7.412,1020 3.506,1021 3.406,1022 3.471,1023 3.296,1024 3.131,1025 4.954,1026 3.167,1027 3.08,1028 3.145,1029 3.023,1030 2.787,1031 4.177,1032 2.81,1033 2.977,1034 3.015,1035 2.763,1036 2.684,1037 3.906,1038 2.731,1039 2.49,1040 2.608,1041 2.322,1042 2.224,1043 3.712,1044 2.223,1045 2.348,1046 2.433,1047 2.074,1048 2.032,1049 3.451,1050 2.021,1051 2.138,1052 2.265,1053 1.968,1054 1.684,1055 3.002,1056 1.751,1057 0.28,1058 0.244,1059 0.422,1060 0.26,1061 0.2,1062 4.476,1063 0.252,1064 3.908,1065 0.108,1066 6.748,1067 0.683,1068 4.155,1069 0.191,1070 3.194,1071 4.034,1072 1.725,1073 10.922,1074 3.061,1075 1.753,1076 1.702,1077 1.976,1078 1.982,1079 1.265,1080 1.962,1081 1.587,1082 1.53,1083 1.72,1084 1.804,1085 0.828,1086 1.805,1087 1.34,1088 1.255,1089 1.543,1090 1.653,1091 0.65,1092 1.62,1093 1.161,1094 1.078,1095 1.436,1096 1.404,1097 0.37,1098 1.432,1099 0.858,1100 0.829,1101 1.058,1102 1.2,1103 0.212,1104 1.13,1105 0.647,1106 0.585,1107 0.941,1108 1.008,1110 0.996,1111 0.382,1112 0.271,1113 0.731,1114 0.755,1116 0.768,1117 0.025,1119 0.626,1120 0.453,1122 0.535,1123 3.497,1125 4.796,1126 2.398,1127 6.308,1128 4.595,1129 7.935,1130 6.605,1131 9.625,1132 2.006,1136 2.177,1137 2.577,1140 1.187,1144 16.622,1145 46.833,1146 93.853,1147 113.627,1148 117.627,1149 117.627,1150 117.627,1151 26.488,1152 5.82,1153 83.54,1154 83.54,1155 11,1156 11.946,1157 3,1158 2.459,1159 23.478,1160 34,1161 40,1162 0.372,1163 105.775,1164 179.66,1165 249.85,1166 1855,1168 10.836,1169 0.722,1170 0.561,1171 10.836,1172 8.41,1173 7.236,1174 0.452,1175 0.306,1176 4.795,1177 6.822,1178 4.714,1179 3.954,1180 7.236,1181 4.899,1182 6.233,1183 0.283,1184 0.153,1185 6.233,1186 3.367,1187 5.365,1188 0.179,1189 0.077,1190 5.365,1191 2.299,1192 4.526,1193 0.116,1194 0.038,1195 4.526,1196 1.466,1197 3.109,1198 0.072,1199 0.021,1200 3.109,1201 0.889,1202 0.544,1203 46.427,1204 0.311,1205 14.883,1206 1.136,1207 76,1208 275.427,1209 88.949,1210 259.179,1211 346.16,1212 240,1213 90,1214 252.484,1215 103.45,1216 250.233,1217 370.64,1218 235,1219 4.812} {0 CHEMBL8488,1 1.965,2 8.87,3 0.305,4 0.093,5 78.363,6 9.61,7 0.44,8 3.723,9 3.8,10 3.656,11 3.23,12 4.956,13 3.249,14 4.246,15 4.37,16 3.963,17 3.607,18 5.895,19 3.637,20 4.402,21 4.514,22 4.024,23 3.729,24 5.888,25 3.751,26 4.57,27 4.721,28 3.884,29 3.659,30 6.136,31 3.68,32 4.372,33 4.577,34 3.502,35 3.48,36 5.652,37 3.432,38 4.094,39 4.305,40 3.436,41 3.281,42 5.279,43 3.24,44 3.985,45 4.125,46 3.518,47 3.225,48 5.569,49 3.206,50 4.022,51 4.193,52 3.284,53 3.104,54 5.425,55 3.07,56 0.217,57 0.582,58 6.736,59 3.243,60 37.559,61 2.725,62 0.69,63 0.892,64 11.621,65 4.844,66 99.501,67 5.027,68 0.556,69 1.023,70 12.478,71 6.234,72 70.853,73 6.017,74 1.086,75 1.035,76 18.871,77 6.13,78 156.218,79 5.45,80 0.746,81 0.844,82 15.844,83 5.563,84 105.663,85 6.349,86 0.495,87 0.671,88 13.927,89 4.467,90 70.154,91 5.611,92 0.5,93 0.608,94 9.819,95 4.049,96 50.43,97 4.155,98 0.549,99 0.547,100 11.617,101 4.278,102 84.749,103 4.372,104 51,105 39,106 0.355,107 0.722,108 0.763,109 0.794,110 0.825,111 0.825,112 3.189,113 0.945,114 -2.13,115 -2.18,116 -2.16,117 37.1,122 2,130 4,131 1,132 1,133 1,139 1,140 1,141 1,143 1,148 2,149 1,150 4,152 5,153 1,155 4,157 1,158 4,159 2,161 3,162 6,166 4,167 2,168 2,170 2,171 7,174 3,176 4,180 1,182 1,183 6,188 1,193 7,194 1,199 1,202 2,203 6,206 3,207 1,212 2,213 1,221 2,223 2,225 1,231 650,232 14.541,233 14.541,234 14.541,235 14.541,236 14.541,237 12.836,238 14.587,239 7.905,240 14.966,241 12.228,242 12.228,243 12.228,244 12.228,245 12.228,246 9.326,247 17.04,248 3.689,249 12.892,250 3.164,251 1.129,252 0.9,253 0.729,254 0.557,255 0.557,256 3.855,261 1,262 428,263 3.24,265 47.274,266 132.562,269 91.928,270 1.452,271 45.123,274 0.83,275 1,276 0.4,278 1,279 1,280 0.75,281 53,282 204,283 4.802,284 5.164,285 7.111,286 4.275,287 3.33,288 4.662,289 2.925,290 11.66,291 3.155,292 4.603,293 3.968,294 6.94,295 4.226,296 3.304,297 4.23,298 1.761,299 11.558,300 3.004,301 4.126,302 3.385,303 6.193,304 3.766,305 2.801,306 3.588,307 1.083,308 9.134,309 2.699,310 3.708,311 2.996,312 5.845,313 3.312,314 2.329,315 3.059,316 0.526,317 7.668,318 2.277,319 3.569,320 2.687,321 5.835,322 3.271,323 2.324,324 2.747,325 0.064,326 7.555,327 2.19,328 3.247,329 2.48,330 4.711,331 2.757,332 1.774,333 2.499,335 5.081,336 1.74,337 2.677,338 1.752,339 4.271,340 2.166,341 1.201,342 1.726,343 3.608,344 1.152,345 2.5,346 1.662,347 4.029,348 2,349 1,350 1.5,351 2.544,352 1,353 2.336,354 1.3,355 3.632,356 1.809,357 0.872,358 1.206,359 2.275,360 0.809,361 1.941,362 1,363 3.414,364 1.541,365 0.541,366 0.704,367 1.367,368 0.533,369 1.69,370 0.837,371 2.912,372 1.198,373 0.177,374 0.237,376 0.391,377 0.177,378 1,379 0.694,380 2.822,381 0.513,382 -0.449,383 -0.593,385 -1.129,386 -0.425,387 0.96,388 -0.069,389 2.367,391 -1,392 -1.192,394 -2.768,395 -0.946,396 0.5,397 -0.43,398 2,400 -1,401 -1.217,403 -3,404 -1,405 0.362,406 -0.47,407 2,409 -1,410 -1.477,412 -3,413 -1,414 10.6,415 0.461,416 0.975,417 0.042,418 32.75,419 1.424,420 16.5,421 0.717,422 16.25,423 0.707,424 15.119,425 0.657,426 25.4,427 0.726,428 26.458,429 1.15,430 6.518,431 0.283,432 4.179,433 0.182,434 0.252,435 0.079,436 0.406,437 0.678,438 1.589,439 0.75,440 1.349,441 0.718,442 0.91,443 0.471,444 0.789,445 0.643,446 0.676,447 0.437,448 0.634,449 0.854,450 1.396,451 0.894,452 1.232,453 0.781,454 1.117,455 1.361,456 0.94,457 1.187,458 0.86,459 1.277,460 1.052,461 0.993,462 0.903,463 0.915,464 0.802,465 0.89,466 1.097,467 0.735,468 0.986,469 0.699,470 0.869,471 0.664,472 0.892,473 0.727,474 0.964,475 0.999,476 1.042,477 0.781,478 1.101,479 1.261,480 1.01,481 1.011,482 1.059,483 1.294,484 1.187,485 6.5,486 0.159,487 4.222,488 2.222,489 1.784,490 1.046,491 0.585,492 0.346,493 0.317,494 0.247,495 5090,496 21611,497 1.956,498 34.3,500 10,503 2,507 1.656,508 1.736,509 3.114,510 0.493,512 1,515 68.79,516 1.965,517 4,518 4.229,519 4.4,520 4.572,521 4.572,522 2.525,523 3.501,524 4.496,525 3.299,526 834.617,527 7.734,528 9273.16,530 1,533 179.525,534 1.754,535 4.388,536 0.26,537 0.011,538 0.108,539 0.054,540 0.052,541 0.045,542 0.028,543 0.016,544 0.02,545 0.021,546 0.616,547 0.5,548 1,549 0.916,550 106.436,551 -0.044,552 -0.354,553 0.202,554 -0.178,555 -0.167,556 -0.005,557 0.331,558 0.342,559 0.137,560 0.234,561 0.29,562 0.24,563 -0.077,564 -0.31,565 -0.102,566 -0.272,567 -0.017,568 -0.211,569 -0.293,570 0.044,571 -0.346,572 -0.022,573 -0.191,574 -0.182,575 -0.166,576 0.011,577 -0.102,578 0.007,579 -0.126,580 -0.083,581 -0.003,582 -0.07,583 0.239,584 0.057,585 0.009,586 0.206,587 0.165,588 0.076,589 -0.064,590 -0.061,591 0.087,592 -0.161,593 -0.239,594 -0.153,595 -0.055,596 -0.121,597 -0.235,598 -0.155,599 5.197,600 5.086,601 0.652,602 17.75,603 1.047,604 1.132,605 0.901,606 0.812,607 0.685,608 3.258,609 3.689,610 3.97,611 4.19,612 4.419,613 4.605,614 4.691,615 4.727,616 4.86,617 4.942,618 5.49,619 0.684,620 336.36,621 3.258,622 4.86,623 5.74,624 6.658,625 7.556,626 8.475,627 9.381,628 10.3,629 11.209,630 12.13,631 11.4,634 2,635 1,637 4,638 1,639 1,640 5,642 11,648 35,649 15,650 1,651 25,652 37,653 13,654 9,655 2,656 4,657 1,659 3,660 4,662 1,670 11,671 2,673 4,675 1,676 4,678 2,679 1,680 1,681 12,682 8,683 2,684 10,685 1,686 1,687 4,688 1,689 0.667,690 5,698 1,699 2,709 1,711 2,712 1,713 2,715 23,717 1,718 1,723 2,729 14.3,730 1,732 4,735 13.25,736 6.967,737 4.778,738 1.782,739 2.403,740 1.339,741 0.978,742 3.52,743 9.5,744 3.57,745 4.245,746 4.78,747 5.31,748 5.78,749 6.224,750 6.625,751 6.888,752 7.343,753 7.718,754 0.833,755 41,756 8.868,758 4.304,759 8.46,760 15.253,762 12.667,764 2.96,765 68.083,769 117.711,770 77.166,771 39.82,773 133.699,774 1.339,775 75.827,776 251.41,777 39.82,778 16.793,779 6.249,780 78.34,781 118.421,782 26.607,783 4.276,784 117.711,786 117.711,787 115.647,788 133.699,789 1.339,790 117.711,791 94.603,792 39.096,793 30.447,794 68.415,795 18.125,797 117.711,798 173.519,799 77.166,800 1.339,801 117.711,802 21.129,803 60.946,804 16.786,805 150.484,806 117.711,807 173.519,808 77.166,809 0.621,810 0.367,811 0.172,812 0.089,813 21,814 11,815 0.054,816 2,817 1,818 1.133,819 3.306,820 190.821,821 0.133,822 15,823 98.042,824 1,825 15.679,826 5.163,827 2.527,829 156.733,830 5.302,831 4.177,832 2.874,833 0.93,835 55.882,836 368.396,837 34.5,839 -4.28,840 46.046,842 -1.014,843 36.655,844 39.621,845 0.383,846 0.78,847 0.824,848 0.858,849 0.891,850 0.891,851 4.866,852 1,853 5.826,854 3.608,855 4.369,856 4.931,857 3.262,858 6.751,859 4.267,860 6.153,861 0.872,862 7.483,863 2.544,864 4.369,865 5.173,866 1.404,867 8.013,868 4.189,869 7.539,870 0.541,871 9.243,872 2.275,873 6.146,874 7.282,875 5.093,876 11.057,877 5.914,878 8.962,879 0.177,880 11.059,881 1.367,882 6.878,883 8.284,884 2.647,885 13.033,886 6.559,887 10.416,888 -0.449,889 12.908,890 0.391,891 8.244,892 9.979,893 7.163,894 15.682,895 7.869,896 11.891,897 -1,898 14.779,899 -1.129,900 9.251,901 11.278,902 3.851,903 17.929,904 8.789,905 13.382,906 -1,907 16.665,908 -2.768,909 10.492,910 12.846,911 9.289,912 20.451,913 9.969,914 3.33,915 -1,916 18.562,917 -3,918 11.608,919 14.267,920 5.029,921 22.811,922 11.003,923 3.304,924 11.66,925 20.468,926 -3,927 12.811,928 15.796,929 11.429,930 25.288,931 12.14,932 2.801,933 11.558,934 22.38,935 4.662,936 13.971,937 17.27,938 6.188,939 27.697,940 13.223,941 2.329,942 9.134,943 24.299,944 4.23,945 15.164,946 18.789,947 13.573,948 30.157,949 14.348,950 2.324,951 7.668,952 26.222,953 3.588,954 16.343,955 20.288,956 7.336,957 32.589,958 15.454,959 1.774,960 7.555,961 28.15,962 3.059,963 17.535,964 21.806,965 15.719,966 35.044,967 16.578,968 1.201,969 5.081,970 30.081,971 2.747,972 18.723,973 23.317,974 8.477,975 37.486,976 17.695,977 5112,978 10664,979 15.433,980 23.989,981 40.037,982 43.318,983 41.563,984 39.435,985 39.305,986 52.318,987 12.718,988 125.684,989 37.473,990 5.748,991 7.164,992 6.526,993 5.349,994 5.33,995 7.662,996 5.85,997 19.66,998 5.155,999 15.7,1000 1.601,1001 1.733,1002 1.663,1003 1.577,1004 1.572,1005 2.093,1006 0.509,1007 5.027,1008 1.499,1009 4.099,1010 4.119,1011 4.722,1012 4.049,1013 7.762,1014 3.993,1015 3.956,1016 3.946,1017 4.017,1018 3.793,1019 7.444,1020 3.795,1021 3.634,1022 3.629,1023 3.684,1024 3.505,1025 7.411,1026 3.458,1027 3.412,1028 3.444,1029 3.376,1030 3.164,1031 6.999,1032 3.189,1033 3.269,1034 3.351,1035 3.146,1036 2.998,1037 6.312,1038 3.012,1039 2.903,1040 2.955,1041 2.763,1042 2.735,1043 4.951,1044 2.715,1045 2.854,1046 2.925,1047 2.687,1048 2.653,1049 4.583,1050 2.665,1051 2.794,1052 2.827,1053 2.571,1054 2.465,1055 4.065,1056 2.492,1057 0.192,1058 0.207,1059 0.284,1060 0.171,1061 0.133,1062 4.802,1063 0.186,1064 5.164,1065 0.117,1066 7.111,1067 0.466,1068 4.275,1069 0.126,1070 3.33,1071 4.662,1072 2.925,1073 11.66,1074 3.155,1075 1.957,1076 1.964,1077 1.992,1078 2.027,1079 1.158,1080 2.052,1081 1.715,1082 1.673,1083 1.82,1084 1.968,1085 0.904,1086 1.924,1087 1.478,1088 1.52,1089 1.607,1090 1.681,1091 0.668,1092 1.684,1093 1.261,1094 1.187,1095 1.402,1096 1.538,1097 0.562,1098 1.563,1099 1.125,1100 1.069,1101 1.331,1102 1.389,1103 0.441,1104 1.394,1105 1.083,1106 1.016,1107 1.181,1108 1.36,1109 0.218,1110 1.347,1111 0.886,1112 0.821,1113 0.973,1114 1.062,1115 0.131,1116 1.107,1117 0.669,1118 0.631,1119 0.797,1120 1.034,1122 0.975,1123 3.932,1125 5.333,1126 2.398,1127 6.919,1128 4.727,1129 8.585,1130 6.88,1131 10.295,1132 2.868,1135 8.965,1140 2.216,1144 23.954,1145 68.79,1146 140.015,1147 148.015,1148 154.015,1149 160.015,1150 160.015,1151 55.067,1152 7.098,1153 127.05,1154 135.43,1155 17,1156 12.64,1157 4,1158 3.392,1159 36.934,1160 76,1161 66,1162 0.249,1163 151.088,1164 262.56,1165 360.415,1166 9773,1168 16.939,1169 0.736,1170 0.563,1171 17.189,1172 12.956,1173 10.697,1174 0.428,1175 0.315,1176 6.401,1177 9.337,1178 6.11,1179 5.073,1180 11.592,1181 7.876,1182 10.973,1183 0.281,1184 0.164,1185 12.361,1186 6.409,1187 9.202,1188 0.177,1189 0.085,1190 9.958,1191 4.395,1192 6.933,1193 0.107,1194 0.042,1195 7.449,1196 2.724,1197 5.263,1198 0.064,1199 0.021,1200 5.621,1201 1.73,1202 0.383,1203 77.843,1204 0.255,1205 22.197,1206 0.702,1207 128,1208 497.22,1209 181.812,1210 491.819,1211 649.49,1212 446,1213 155,1214 445.067,1215 216.658,1216 485.434,1217 711.9,1218 450,1219 5.201} {0 CHEMBL89062,1 1.784,2 4.929,3 -0.323,4 0.104,5 47.568,6 8.093,7 0.333,8 3.326,9 3.458,10 2.954,11 2.696,12 4.537,13 2.746,14 3.858,15 4.068,16 3.378,17 3.068,18 5.072,19 3.114,20 3.946,21 4.095,22 3.462,23 3.156,24 5.385,25 3.221,26 4.112,27 4.295,28 3.276,29 3.106,30 5.644,31 3.117,32 3.804,33 4.032,34 2.683,35 2.828,36 5.052,37 2.742,38 3.627,39 3.915,40 1.749,41 2.414,42 4.677,43 2.207,44 3.047,45 3.405,46 0.655,47 1.712,48 3.829,49 1.381,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.094,57 0.381,58 4.378,59 1.403,60 5.046,61 2.223,62 0.362,63 0.562,64 9.834,65 2.354,66 14.169,67 3.853,68 0.299,69 0.594,70 9.255,71 2.608,72 21.997,73 3.752,74 0.665,75 0.54,76 13.559,77 3.002,78 87.717,79 4.329,80 0.313,81 0.389,82 9.797,83 2.582,84 29.614,85 3.992,86 0.339,87 0.233,88 10.024,89 2.269,90 42.267,91 3.607,92 0.187,93 0.096,94 6.492,95 1.463,96 26.792,97 2.512,98 0.07,99 0.027,100 3.13,101 0.577,102 8.876,103 1.203,104 26,105 23,106 0.365,107 0.644,108 0.749,109 0.766,110 0.817,111 0.817,112 2.738,113 0.829,114 -1.56,115 -1.63,116 -1.67,117 33.3,118 1,122 2,133 1,139 1,140 1,141 1,143 1,152 4,153 1,155 2,157 1,161 3,170 2,171 1,174 3,182 1,183 2,193 1,231 118,232 8.845,233 8.845,234 8.845,235 8.845,236 8.845,237 8.05,238 13.852,239 4.821,240 9.139,241 7.3,242 7.3,243 7.3,244 7.3,245 7.3,246 5.87,247 17.925,248 2.239,249 7.725,250 2.801,251 1.439,252 0.928,253 0.844,254 0.594,255 0.594,256 3.36,261 1,262 141,263 1.871,265 24.716,266 30.171,269 46.29,270 0.531,271 20.947,274 0.67,275 0.83,276 0.8,278 1,279 1,280 0.76,281 32,282 69,283 4.578,284 3.968,285 6.929,286 4.256,287 3.305,288 4.168,289 1.761,290 11.506,291 3.139,292 3.885,293 3.384,294 5.978,295 3.503,296 2.562,297 3.197,298 1.083,299 8.158,300 2.404,301 3.58,302 2.928,303 5.845,304 3.288,305 2.324,306 2.753,307 0.526,308 7.555,309 2.227,310 3.182,311 2.27,312 4.866,313 2.822,314 1.871,315 2.351,316 0.064,317 5.345,318 1.77,319 2.347,320 1.662,321 4.029,322 1.811,323 0.872,324 1.211,326 2.544,327 0.81,328 1.961,329 1.521,330 3.637,331 1.589,332 0.588,333 0.747,335 1.448,336 0.58,337 1.691,338 0.832,339 2.912,340 1.198,341 0.177,342 0.237,343 0.391,344 0.177,345 0.491,346 -0.295,347 2,348 0.23,349 -0.744,350 -0.862,351 -1.782,352 -0.72,353 0.341,354 -0.453,355 2,356 -0.026,357 -1,358 -1.204,359 -2.768,360 -0.949,362 -0.499,363 1.765,364 -0.268,365 -1.263,366 -1.491,367 -3.073,368 -1.252,369 -0.144,370 -0.952,371 1.353,372 -0.476,373 -1.438,374 -1.751,376 -4.327,377 -1.359,378 -0.331,379 -1.185,380 1.286,381 -0.617,382 -1.562,383 -2,384 -0.4,385 -4.762,386 -1.527,387 -0.475,388 -1.637,389 1.187,390 -0.819,391 -1.756,392 -2.102,393 -0.66,394 -5.84,395 -1.642,396 -0.661,397 -1.782,398 1.163,399 -1.017,400 -1.934,401 -2.578,402 -1.065,403 -6.396,404 -1.769,405 -0.945,406 -1.882,407 1.051,408 -1.073,409 -2,410 -2.677,411 -1.31,412 -8,413 -1.888,414 6.267,415 0.448,416 0.566,417 0.04,418 18,419 1.286,420 7.5,421 0.536,422 10.5,423 0.75,424 8.806,425 0.629,426 15.933,427 0.664,428 12.036,429 0.86,430 3.762,431 0.269,432 2.758,433 0.197,434 0.346,436 0.527,437 0.766,438 2.04,439 0.688,440 1.426,441 0.548,442 1.073,443 0.546,444 0.815,445 0.504,446 0.548,447 0.512,448 0.497,449 1.071,450 1.377,451 0.898,452 1.277,453 0.97,454 1.051,455 1.45,456 0.881,457 1.298,458 0.925,459 1.623,460 1.068,461 1.027,462 1.054,463 1.347,464 1.342,465 0.914,466 1.411,467 1.288,468 0.689,469 1.419,470 1.019,471 1.346,472 1.246,473 0.775,474 0.473,475 0.862,476 0.714,477 1.01,478 0.841,485 3.5,487 2.444,488 1.722,489 1.352,490 0.351,495 1030,496 3592,497 1.912,498 41.7,500 6,503 1,504 3,507 1.52,508 1.68,509 2.376,510 -0.027,515 42.82,516 1.784,517 3.146,518 3.657,519 3.741,520 3.991,521 3.991,522 1.493,523 2.95,524 3.784,525 2.351,526 213.937,527 6.355,528 1665.13,533 110.039,534 1.432,535 3.664,536 0.233,538 0.106,539 0.072,540 0.075,541 0.039,546 0.525,547 0.67,548 1,549 0.802,550 50.494,551 -0.121,552 -0.727,553 0.052,554 -0.321,555 -0.072,556 -0.119,557 0.26,558 0.308,559 0.4,560 0.392,561 0.083,562 0.428,563 -0.111,564 -0.175,565 -0.066,566 -0.282,567 -0.024,568 -0.166,569 -0.116,570 0.063,571 -0.319,572 -0.019,573 -0.087,574 -0.204,575 -0.155,576 -0.096,577 -0.416,578 -0.374,579 -0.053,580 -0.445,581 -0.263,582 -0.006,583 -0.338,584 -0.102,585 -0.222,586 -0.228,587 0.104,588 -0.017,589 0.344,590 0.225,591 -0.058,592 0.316,593 0.563,594 0.244,595 1.353,596 0.866,597 0.383,598 1.273,599 2.035,600 4.582,601 0.643,602 5.918,603 1.03,604 1.152,605 0.33,606 0.109,607 0.634,608 2.773,609 3.178,610 3.497,611 3.738,612 3.892,613 3.871,614 3.664,615 3.497,616 2.833,617 1.386,618 3.159,619 0.629,620 194.22,621 2.773,622 4.344,623 5.231,624 6.146,625 7.054,626 7.97,627 8.882,628 9.798,629 10.711,630 11.626,631 16.7,634 2,635 1,638 1,639 1,640 3,642 5,648 24,649 7,651 15,652 25,653 8,654 3,657 1,659 2,660 3,662 1,663 1,670 5,671 3,673 2,676 2,678 2,680 1,681 10,682 5,683 1,684 6,686 1,687 4,688 1,689 0.5,690 2,698 1,699 1,711 1,713 3,715 14,723 2,729 8.3,732 2,735 8.333,736 5.433,737 3,738 1.283,739 1.213,740 1.211,741 0.951,742 1.855,743 6.949,744 3.02,745 3.618,746 4.188,747 4.692,748 4.964,749 5.159,750 5.124,751 5.131,752 4.78,753 3.446,754 0.5,755 24,756 5.164,757 0.002,758 2.225,759 8.202,760 9.374,761 0.001,762 7.398,763 -0.001,764 2.702,765 37.833,766 0.003,769 105.94,770 42.011,771 39.82,773 50.29,775 42.011,776 156.23,777 39.82,778 25.618,779 6.249,781 74.108,782 21.87,783 4.276,784 105.94,786 105.94,787 81.831,788 50.29,790 105.94,791 50.29,793 39.272,794 25.773,795 16.786,797 105.94,798 90.11,799 42.011,801 105.94,802 16.393,803 31.867,804 16.786,805 67.075,806 105.94,807 90.11,808 42.011,809 0.614,810 0.387,811 0.197,812 0.103,813 13,814 7,817 1,818 1.222,819 2.42,820 93.876,821 0.222,822 9,823 53.303,825 9.214,826 2.819,827 1.165,829 73.324,831 4.027,832 2.874,833 1.39,835 16.786,836 238.06,837 19.5,840 23.073,842 -0.724,843 24.713,844 27.658,845 0.389,846 0.686,847 0.798,848 0.816,849 0.87,850 0.87,851 4.307,852 -0.744,853 5.293,854 0.391,855 3.85,856 4.297,857 2.197,858 6.205,859 3.745,860 5.552,861 -1,862 6.938,863 -1.782,864 3.761,865 4.35,866 1.404,867 7.281,868 3.616,869 6.897,870 -1.263,871 8.678,872 -2.768,873 5.557,874 6.471,875 2.804,876 10.435,877 5.34,878 8.275,879 -1.438,880 10.468,881 -3.073,882 6.217,883 7.296,884 2.647,885 12.265,886 5.962,887 9.683,888 -1.562,889 12.287,890 -4.327,891 7.581,892 8.959,893 3.665,894 14.983,895 7.26,896 11.111,897 -1.756,898 14.127,899 -4.762,900 8.547,901 10.117,902 3.851,903 17.14,904 8.185,905 12.555,906 -1.934,907 15.982,908 -5.84,909 9.78,910 11.623,911 4.661,912 19.7,913 9.358,914 3.305,915 -2,916 17.85,917 -6.396,918 10.876,919 12.93,920 5.029,921 22.008,922 10.408,923 2.562,924 11.506,925 19.727,926 -8,927 12.071,928 14.381,929 5.726,930 24.504,931 11.549,932 2.324,933 8.158,934 21.612,935 4.168,936 13.221,937 15.754,938 6.188,939 26.883,940 12.651,941 1.871,942 7.555,943 23.504,944 3.197,945 14.409,946 17.187,947 6.825,948 29.35,949 13.786,950 0.872,951 5.345,952 25.402,953 2.753,954 15.583,955 18.589,956 7.336,957 31.763,958 14.91,959 0.588,960 2.544,961 27.305,962 2.351,963 16.772,964 20.016,965 7.94,966 34.217,967 16.046,968 0.177,969 1.448,970 29.213,971 1.211,972 17.956,973 21.432,974 8.477,975 36.646,976 17.18,977 1139,978 2201,979 9.077,980 15.216,981 24.248,982 25.777,983 25.769,984 23.492,985 23.395,986 29.332,987 6.869,988 73.895,989 22.213,990 5.523,991 5.85,992 5.879,993 5.329,994 5.305,995 6.845,996 3.071,997 19.506,998 5.026,999 8.681,1000 1.617,1001 1.718,1002 1.718,1003 1.566,1004 1.56,1005 1.955,1006 0.458,1007 4.926,1008 1.481,1009 4.017,1010 4.071,1011 3.992,1012 3.801,1013 7.444,1014 3.843,1015 3.552,1016 3.618,1017 3.481,1018 3.285,1019 7.411,1020 3.321,1021 3.275,1022 3.366,1023 3.146,1024 3.002,1025 4.919,1026 3.014,1027 3.053,1028 3.132,1029 2.867,1030 2.845,1031 4.093,1032 2.837,1033 2.803,1034 2.886,1035 2.571,1036 2.484,1037 3.922,1038 2.497,1039 2.788,1040 2.824,1041 2.556,1042 2.448,1043 3.643,1044 2.481,1045 2.145,1046 2.246,1047 2.047,1048 1.693,1049 3.501,1050 1.768,1051 1.922,1052 1.999,1053 1.756,1054 1.663,1055 2.945,1056 1.68,1057 0.305,1058 0.265,1059 0.462,1060 0.284,1061 0.22,1062 4.578,1063 0.278,1064 3.968,1065 0.117,1066 6.929,1067 0.767,1068 4.256,1069 0.209,1070 3.305,1071 4.168,1072 1.761,1073 11.506,1074 3.139,1075 1.716,1076 1.673,1077 1.825,1078 1.973,1079 0.91,1080 1.928,1081 1.519,1082 1.445,1083 1.74,1084 1.773,1085 0.784,1086 1.762,1087 1.235,1088 1.132,1089 1.597,1090 1.525,1091 0.655,1092 1.554,1093 1.124,1094 1.06,1095 1.372,1096 1.377,1097 0.447,1098 1.378,1099 0.754,1100 0.644,1101 1.079,1102 1.12,1103 0.031,1104 1.13,1105 0.667,1106 0.63,1107 0.79,1108 1.032,1110 0.97,1111 0.339,1112 0.301,1113 0.424,1114 0.733,1116 0.648,1123 3.434,1125 4.812,1126 2.398,1127 6.389,1128 4.727,1129 8.062,1130 6.843,1131 9.79,1132 4.778,1140 2.416,1144 15.096,1145 42.82,1146 75.51,1147 87.774,1148 89.774,1149 95.774,1150 95.774,1151 23.471,1152 5.737,1153 72.68,1154 72.68,1155 11,1156 12.138,1157 3,1158 2.459,1159 21.055,1160 29,1161 22,1162 0.441,1163 96.182,1164 162.36,1165 226.445,1166 1539,1168 10.456,1169 0.747,1170 0.583,1171 10.456,1172 8.158,1173 6.52,1174 0.435,1175 0.276,1176 4.025,1177 6.069,1178 3.833,1179 3.231,1180 6.52,1181 4.144,1182 6.341,1183 0.276,1184 0.14,1185 6.341,1186 3.225,1187 5.738,1188 0.179,1189 0.069,1190 5.738,1191 2.22,1192 4.322,1193 0.105,1194 0.035,1195 4.322,1196 1.437,1197 3.254,1198 0.068,1199 0.018,1200 3.254,1201 0.869,1202 0.615,1203 42.334,1204 0.332,1205 13.387,1206 1.46,1207 76,1208 282.739,1209 89.643,1210 266.282,1211 357.47,1212 246,1213 93,1214 264.681,1215 107.948,1216 265.316,1217 391.96,1218 246,1219 4.854}