@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1293191

@attribute molecule_id {CHEMBL1287827,CHEMBL1289047,CHEMBL1289048,CHEMBL1289163,CHEMBL1289164,CHEMBL1289276,CHEMBL1289277,CHEMBL1289394,CHEMBL1289509,CHEMBL1289510,CHEMBL1289617,CHEMBL1289618,CHEMBL1289721,CHEMBL1290486,CHEMBL1290487,CHEMBL1290596,CHEMBL1290597,CHEMBL1290715,CHEMBL1290716,CHEMBL1822468,CHEMBL1823591,CHEMBL1823616,CHEMBL1823865,CHEMBL1833986,CHEMBL1835035,CHEMBL1835039,CHEMBL1835141,CHEMBL1835142,CHEMBL1835146,CHEMBL1835148,CHEMBL1835149,CHEMBL1835150,CHEMBL1835153,CHEMBL2011500,CHEMBL2087549,CHEMBL2163587,CHEMBL469345,CHEMBL513715}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.082 numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCO numeric
@attribute nArCONH2 numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNR2 numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr numeric
@attribute nDB numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nImidazoles numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHt numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nR03 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nRCN numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nR.Cs numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute NtN numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.38,2 13.156,3 4.329,4 18.74,5 131.247,6 6.881,7 0.472,8 4.21,9 4.339,10 3.73,11 3.779,12 5.206,13 3.737,14 4.783,15 4.981,16 4.111,17 4.193,18 5.713,19 4.136,20 5.06,21 5.274,22 4.226,23 4.409,24 5.971,25 4.322,26 5.192,27 5.42,28 4.129,29 4.477,30 6.042,31 4.336,32 5.271,33 5.547,34 4.019,35 4.445,36 6.009,37 4.271,38 5.182,39 5.466,40 3.927,41 4.326,42 5.921,43 4.155,44 5.051,45 5.318,46 3.848,47 4.229,48 5.828,49 4.07,50 4.999,51 5.272,52 3.726,53 4.155,54 5.755,55 3.981,56 0.049,57 0.911,58 13.753,59 5.742,60 8.97,61 8.064,62 0.248,63 1.55,64 26.139,65 9.274,66 22.502,67 13.591,68 0.32,69 1.974,70 35.014,71 12.603,72 33.471,73 18.236,74 0.304,75 2.13,76 40.142,77 15.926,78 41.472,79 22.614,80 0.29,81 2.206,82 44.586,83 17.366,84 40.606,85 25.313,86 0.322,87 2.019,88 41.166,89 15.422,90 40.383,91 22.647,92 0.304,93 1.801,94 35.853,95 13.353,96 38.081,97 19.46,98 0.321,99 1.696,100 34.14,101 12.552,102 35.872,103 18.477,104 17,105 52,106 0.221,107 0.55,108 0.77,109 0.879,110 0.889,111 0.889,112 3.502,113 0.953,114 -4.48,115 -4.41,116 -4.15,117 43.5,118 2,119 1,122 1,123 4,124 1,128 2,129 8,130 3,131 2,133 2,140 1,149 11,150 1,151 12,155 13,157 1,158 10,163 11,165 1,166 9,172 11,175 7,178 6,180 1,181 8,186 5,188 1,189 5,192 6,194 1,195 3,200 6,202 1,203 4,208 9,210 1656,211 21.723,212 21.723,213 21.723,214 21.723,215 21.723,216 19.473,217 27.637,218 12.502,219 22.082,220 17.726,221 17.726,222 17.726,223 17.726,224 17.726,225 14.195,226 38.704,227 5.879,228 18.295,229 4.574,230 2.511,231 1.133,232 0.456,233 0.391,234 0.391,235 4.212,239 936,240 2.828,243 429.743,245 287.278,246 2.021,247 18.401,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 67,258 421,259 4.553,260 3.671,261 6.743,262 4.148,263 3.172,264 4.474,265 1.2,266 10.93,267 3.098,268 4.489,269 3.319,270 6.701,271 4.118,272 3.151,273 4.12,274 0.8,275 10.882,276 3.051,277 3.931,278 3.09,279 6.078,280 3.767,281 2.825,282 3.257,283 0.8,284 8.782,285 2.657,286 3.835,287 2.998,288 5.93,289 3.534,290 2.551,291 3.116,292 0.293,293 8.099,294 2.501,295 3.69,296 2.675,297 5.728,298 3.385,299 2.439,300 2.837,302 7.686,303 2.304,304 3.369,305 2.416,306 5.05,307 3.012,308 2.046,309 2.644,311 5.76,312 1.973,313 3.297,314 2.251,315 4.971,316 2.895,317 1.889,318 2.52,320 5.553,321 1.891,322 3.032,323 1.72,324 4.583,325 2.597,326 1.618,327 2.255,328 4.555,329 1.584,330 2.986,331 1.63,332 4.364,333 2.557,334 1.569,335 2.129,336 4.088,337 1.548,338 2.779,339 1.58,340 4.191,341 2.443,342 1.467,343 1.848,344 3.763,345 1.428,346 2.644,347 1.47,348 4.014,349 2.382,350 1.404,351 1.612,352 3.416,353 1.369,354 2.47,355 1.424,356 3.652,357 2.189,358 1.209,359 1.454,360 2.757,361 1.182,362 2.248,363 0.965,364 3.377,365 1.839,366 0.861,367 1.159,368 2.042,369 0.84,370 1.847,371 0.905,372 3.272,373 1.636,374 0.661,375 0.751,376 1.608,377 0.643,378 1.818,379 0.755,380 2.819,381 1.28,382 0.26,383 0.361,384 0.584,385 0.262,386 15.433,387 0.482,388 0.836,389 0.026,390 41,391 1.281,392 20,393 0.625,394 21,395 0.656,396 30.122,397 0.941,398 33.767,399 0.545,400 30.47,401 0.952,402 7.955,403 0.249,404 7.553,405 0.236,406 0.119,408 0.369,412 0.752,413 1.409,414 0.84,415 1.121,416 0.594,417 1.008,418 1.051,419 1.087,420 0.884,421 0.868,422 0.542,423 0.849,424 1.229,425 0.989,426 1.048,427 0.94,428 0.819,429 0.96,430 0.991,431 1.132,432 1.157,433 1.188,434 1.032,435 1.192,436 0.684,437 1.025,438 0.981,439 1.059,440 0.596,441 1.049,442 0.762,443 0.966,444 0.956,445 0.988,446 0.664,447 0.987,448 0.953,449 1.031,450 1.056,451 1.045,452 0.919,453 1.058,454 0.893,455 1.033,456 1.097,457 1.061,458 0.794,459 1.089,460 6,461 0.14,462 4.667,463 2.375,464 2.138,465 1.118,466 0.769,467 0.472,468 0.352,469 0.245,470 15626,471 34426,472 2.135,473 48.4,475 22,479 3,480 5,482 1.741,483 2,484 3.635,485 -0.836,488 85.571,489 1.38,490 3.444,491 4.821,492 5.498,493 5.563,494 5.563,495 3.046,496 4.75,497 4.975,498 3.826,499 1897.62,500 8.676,501 28007.5,503 1,506 369.16,507 1.406,508 4.933,509 0.167,510 0.006,511 0.09,512 0.042,513 0.044,514 0.026,515 0.02,516 0.013,517 0.011,518 0.009,519 0.427,520 0.33,521 0.88,522 0.531,523 169.278,524 0.046,525 -0.239,526 0.082,527 -0.073,528 -0.02,529 -0.009,530 0.022,531 0.054,532 0.092,533 0.103,534 0.092,535 0.107,536 -0.124,537 0.109,538 -0.067,539 0.031,540 0.016,541 -0.002,542 -0.081,543 -0.13,544 -0.196,545 -0.18,546 -0.075,547 -0.198,548 0.01,549 -0.086,550 -0.014,551 -0.063,552 0.01,553 -0.044,554 0.03,555 -0.019,556 0.025,557 -0.011,559 0.004,560 -0.039,561 -0.059,562 -0.073,563 -0.068,564 -0.084,565 -0.075,566 -0.016,567 -0.062,568 -0.115,569 -0.09,570 -0.068,571 -0.108,572 1.627,573 4.985,574 0.813,575 31.625,576 0.987,577 1.123,578 3.253,579 10.579,580 0.667,581 3.611,582 3.97,583 4.29,584 4.564,585 4.836,586 4.905,587 5.024,588 5.13,589 5.252,590 5.278,591 7.628,592 0.623,593 426.61,594 3.611,595 5.176,596 6.052,597 6.946,598 7.835,599 8.731,600 9.624,601 10.521,602 11.414,603 12.312,604 6.5,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,628 62,629 19,630 2,631 36,632 66,633 27,634 15,635 6,636 6,637 3,638 5,639 7,642 2,644 1,647 2,649 18,650 9,653 2,654 1,655 2,656 1,660 30,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 3,691 32,694 5,697 1,698 3,704 1.6,706 1,709 16,710 12.133,711 6.889,712 3.917,713 3.892,714 1.462,715 1.007,716 5.646,717 12.325,718 3.861,719 4.466,720 5.08,721 5.661,722 6.236,723 6.502,724 6.828,725 7.137,726 7.434,727 7.335,728 0.889,729 57,730 11.86,731 5.057,732 7.505,733 23.414,734 19.867,735 2.005,736 64.167,739 353.133,740 155.83,741 26.158,743 25.145,745 155.83,746 378.278,747 26.158,748 26.047,749 14.082,750 94.762,751 46.635,752 25.607,754 353.133,756 353.133,757 181.988,758 25.145,760 294.278,761 84,764 39.757,765 106.493,766 35.738,767 353.133,768 51.303,769 155.83,770 353.133,771 35.02,772 130.182,774 41.93,775 353.133,776 51.303,777 155.83,778 0.592,779 0.359,780 0.194,781 0.109,782 27,783 12,784 0.061,785 4,786 2,787 1.154,788 4.317,789 303.18,790 0.154,791 26,792 158,793 21.025,794 8.593,795 4.033,796 2.308,797 51.303,798 17.043,799 4.706,802 5.841,805 560.266,806 46.5,807 11.985,808 3.651,809 0.04,810 61.221,811 69.6,812 0.232,813 0.578,814 0.81,815 0.923,816 0.934,817 0.934,818 5.125,819 1.618,820 6.052,821 5.553,822 4.654,823 5.153,824 1.758,825 6.899,826 4.593,827 6.332,828 1.569,829 7.637,830 4.555,831 4.29,832 4.977,833 0.766,834 7.865,835 4.184,836 7.645,837 1.467,838 9.321,839 4.088,840 6.286,841 7.354,842 1.696,843 10.986,844 6.156,845 8.992,846 1.404,847 11.064,848 3.763,849 6.735,850 8.018,851 0.931,852 12.772,853 6.56,854 10.372,855 1.209,856 12.844,857 3.416,858 8.206,859 9.883,860 1.83,861 15.416,862 8.01,863 11.776,864 0.861,865 14.649,866 2.757,867 9.028,868 10.961,869 1.142,870 17.539,871 8.792,872 13.199,873 0.661,874 16.473,875 2.042,876 10.293,877 12.61,878 2.038,879 20.017,880 10.034,881 3.172,882 0.26,883 18.31,884 1.608,885 11.287,886 13.895,887 1.436,888 22.285,889 10.995,890 3.151,891 10.93,892 20.157,893 0.584,894 12.47,895 15.448,896 2.286,897 24.703,898 12.154,899 2.825,900 10.882,901 22.014,902 4.474,903 13.542,904 16.834,905 1.783,906 27.035,907 13.197,908 2.551,909 8.782,910 23.877,911 4.12,912 14.695,913 18.345,914 2.561,915 29.432,916 14.326,917 2.439,918 8.099,919 25.745,920 3.257,921 15.804,922 19.78,923 2.156,924 31.793,925 15.407,926 2.046,927 7.686,928 27.619,929 3.116,930 16.947,931 21.274,932 2.856,933 34.183,934 16.526,935 1.889,936 5.76,937 29.496,938 2.837,939 18.073,940 22.734,941 2.541,942 36.558,943 17.626,944 14426,945 21541,946 24.274,947 41.375,948 55.224,949 55.64,950 56.422,951 54.312,952 54.242,953 69.07,954 6.186,955 161.009,956 52.66,957 5.553,958 5.671,959 6.272,960 5.215,961 5.172,962 7.474,963 2.293,964 18.279,965 5.098,966 15.281,967 1.534,968 1.546,969 1.567,970 1.509,971 1.507,972 1.919,973 0.172,974 4.472,975 1.463,976 4.101,977 4.136,978 4.058,979 4.02,980 7.429,981 4.026,982 4.015,983 4.043,984 3.97,985 3.945,986 4.983,987 3.947,988 3.82,989 3.886,990 3.717,991 3.645,992 4.756,993 3.653,994 3.562,995 3.61,996 3.48,997 3.427,998 4.45,999 3.428,1000 3.512,1001 3.561,1002 3.411,1003 3.397,1004 4.313,1005 3.398,1006 3.332,1007 3.399,1008 3.186,1009 3.199,1010 4.179,1011 3.186,1012 3.271,1013 3.36,1014 3.064,1015 3.103,1016 4,1017 3.08,1018 3.188,1019 3.28,1020 3.008,1021 2.985,1022 3.954,1023 2.979,1024 0.126,1025 0.102,1026 0.187,1027 0.115,1028 0.088,1029 4.553,1030 0.124,1031 3.671,1032 0.033,1033 6.743,1034 0.304,1035 4.148,1036 0.086,1037 3.172,1038 4.474,1039 1.2,1040 10.93,1041 3.098,1042 2.049,1043 2.022,1044 2.13,1045 2.149,1046 1.382,1047 2.146,1048 1.989,1049 1.965,1050 2.084,1051 2.084,1052 1.267,1053 2.085,1054 1.782,1055 1.717,1056 1.973,1057 1.978,1058 1.186,1059 1.98,1060 1.536,1061 1.49,1062 1.742,1063 1.713,1064 0.94,1065 1.722,1066 1.504,1067 1.461,1068 1.717,1069 1.657,1070 0.899,1071 1.681,1072 1.347,1073 1.283,1074 1.641,1075 1.529,1076 0.806,1077 1.573,1078 1.298,1079 1.214,1080 1.585,1081 1.508,1082 0.678,1083 1.538,1084 1.191,1085 1.096,1086 1.532,1087 1.433,1088 0.575,1089 1.471,1090 4.29,1092 5.638,1094 7.195,1096 8.848,1098 10.549,1099 6.217,1104 5.073,1107 0.469,1108 6.833,1112 38.649,1113 85.571,1114 213.502,1115 298.896,1116 340.896,1117 344.896,1118 344.896,1119 44.62,1120 8.433,1121 41.37,1122 41.37,1123 30,1124 12.836,1125 4.322,1126 3.524,1127 45.979,1128 150,1129 134,1130 0.15,1131 234.696,1132 407.55,1133 564.419,1134 64263,1136 22.242,1137 0.695,1138 0.596,1139 22.242,1140 19.083,1141 15.508,1142 0.431,1143 0.318,1144 11.324,1145 15.07,1146 10.937,1147 9.064,1148 15.508,1149 11.441,1150 14.257,1151 0.274,1152 0.172,1153 14.257,1154 8.958,1155 12.663,1156 0.176,1157 0.096,1158 12.663,1159 6.88,1160 10.574,1161 0.111,1162 0.053,1163 10.574,1164 5.014,1165 8.923,1166 0.071,1167 0.029,1168 8.923,1169 3.608,1170 0.24,1171 95.806,1172 0.203,1173 30.073,1174 0.398,1175 176,1176 412.316,1177 187.512,1178 408.401,1179 578.11,1180 386,1181 212,1182 441.904,1183 224.707,1184 451.95,1185 665.43,1186 427,1187 5.3}
{0 CHEMBL1289047,1 1.394,2 13.194,3 4.232,4 17.908,5 126.973,6 6.993,7 0.486,8 4.166,9 4.294,10 3.698,11 3.743,12 5.172,13 3.704,14 4.73,15 4.922,16 4.072,17 4.156,18 5.691,19 4.098,20 5,21 5.214,22 4.154,23 4.353,24 5.909,25 4.263,26 5.101,27 5.331,28 4.06,29 4.4,30 5.922,31 4.258,32 5.181,33 5.454,34 3.971,35 4.358,36 5.937,37 4.192,38 5.106,39 5.391,40 3.858,41 4.232,42 5.854,43 4.07,44 4.957,45 5.223,46 3.747,47 4.124,48 5.74,49 3.966,50 4.898,51 5.168,52 3.581,53 4.023,54 5.685,55 3.843,56 0.048,57 0.869,58 12.852,59 5.408,60 7.78,61 7.519,62 0.221,63 1.469,64 24.314,65 8.936,66 23.171,67 12.889,68 0.306,69 1.856,70 32.664,71 11.962,72 32.531,73 17.11,74 0.225,75 1.958,76 36.151,77 14.807,78 30.021,79 21.052,80 0.26,81 2.037,82 40.735,83 15.755,84 37.89,85 22.932,86 0.349,87 1.902,88 38.488,89 13.634,90 37.303,91 20.154,92 0.289,93 1.642,94 32.679,95 12.009,96 33.263,97 17.435,98 0.311,99 1.499,100 31.104,101 11.553,102 39.053,103 16.673,104 10,105 50,106 0.225,107 0.558,108 0.735,109 0.852,110 0.857,111 0.857,112 3.472,113 0.946,114 -4.28,115 -4.22,116 -3.98,117 44.1,118 2,119 1,123 5,128 2,129 7,130 4,131 2,133 2,140 1,149 12,151 8,153 1,154 3,155 15,157 1,158 6,162 3,163 14,165 1,166 7,170 2,172 11,175 8,177 1,178 4,181 8,182 1,186 1,188 1,189 5,192 2,194 1,195 3,200 4,203 4,205 1,208 8,210 1506,211 21.17,212 21.17,213 21.17,214 21.17,215 21.17,216 18.819,217 26.297,218 12.302,219 21.486,220 17.274,221 17.274,222 17.274,223 17.274,224 17.274,225 13.633,226 35.771,227 5.839,228 17.776,229 4.488,230 2.421,231 1.328,232 0.602,233 0.568,234 0.568,235 4.184,238 1,239 913,240 2.739,243 414.049,245 277.78,246 1.917,247 17.798,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 65,258 409,259 4.551,260 3.511,261 6.695,262 4.129,263 3.142,264 4.474,265 1.058,266 10.856,267 3.113,268 4.498,269 3.281,270 6.676,271 4.108,272 3.133,273 4.194,274 0.8,275 10.749,276 3.046,277 3.857,278 3.195,279 5.807,280 3.585,281 2.648,282 3.249,283 0.8,284 8.002,285 2.485,286 3.807,287 2.87,288 5.667,289 3.468,290 2.479,291 3.129,293 7.484,294 2.441,295 3.531,296 2.64,297 5.32,298 3.297,299 2.355,300 2.735,302 6.859,303 2.215,304 3.379,305 2.414,306 4.961,307 3.009,308 2.042,309 2.62,311 5.733,312 1.996,313 3.329,314 2.254,315 4.932,316 2.978,317 1.964,318 2.496,320 5.576,321 1.954,322 3.154,323 1.925,324 4.622,325 2.759,326 1.767,327 2.358,328 4.764,329 1.75,330 3.028,331 1.652,332 4.559,333 2.576,334 1.599,335 2.243,336 4.492,337 1.561,338 2.781,339 1.481,340 4.039,341 2.406,342 1.424,343 1.848,344 3.475,345 1.394,346 2.546,347 1.348,348 3.8,349 2.115,350 1.132,351 1.406,352 2.85,353 1.111,354 2.257,355 1.146,356 3.414,357 1.967,358 1,359 1.159,360 2.275,361 0.965,362 2,363 0.899,364 3.37,365 1.817,366 0.838,367 1,368 2.005,369 0.819,370 1.885,371 0.782,372 3.21,373 1.615,374 0.633,375 0.77,376 1.499,377 0.62,378 1.472,379 0.739,380 2.809,381 1.124,382 0.135,383 0.158,384 0.318,385 0.132,386 14.933,387 0.482,388 0.763,389 0.025,390 40.25,391 1.298,392 20,393 0.645,394 20.25,395 0.653,396 27.889,397 0.9,398 32.467,399 0.55,400 28.922,401 0.933,402 7.867,403 0.254,404 7.213,405 0.233,406 0.089,408 0.355,412 0.779,413 1.328,414 0.831,415 1.067,416 0.588,417 0.969,418 0.964,419 1.098,420 0.884,421 0.903,422 0.505,423 0.877,424 1.202,425 0.977,426 1.072,427 0.949,428 0.885,429 0.981,430 0.688,431 1.153,432 1.088,433 1.213,434 0.629,435 1.195,436 0.687,437 1.073,438 0.969,439 1.076,440 0.601,441 1.054,442 0.944,443 0.937,444 1.01,445 0.95,446 0.721,447 0.973,448 1.001,449 1.011,450 1.088,451 1.056,452 0.908,453 1.074,454 1.061,455 1.071,456 1.125,457 1.103,458 1.276,459 1.125,460 6,461 0.161,462 4,463 2.063,464 1.987,465 0.972,466 0.746,467 0.328,468 0.221,469 0.219,470 14757,471 33153,472 2.16,473 47.5,474 3,475 19,478 1,479 3,480 2,482 1.732,483 2.044,484 3.622,485 -0.425,487 1,488 82.259,489 1.394,490 3.461,491 4.554,492 5.281,493 5.315,494 5.315,495 2.997,496 4.672,497 4.93,498 3.814,499 1773.71,500 8.58,501 25876.5,503 1,506 347.076,507 1.332,508 4.896,509 0.171,510 0.006,511 0.08,512 0.039,513 0.043,514 0.024,515 0.021,516 0.01,517 0.008,518 0.01,519 0.413,520 0.33,521 0.88,522 0.486,523 162.877,524 0.012,525 -0.168,526 0.072,527 -0.036,528 -0.019,529 0.013,530 0.032,531 0.026,532 0.072,533 0.073,534 0.125,535 0.078,536 -0.146,537 0.106,538 -0.102,539 0.022,540 -0.045,541 -0.024,542 0.002,543 -0.165,544 -0.145,545 -0.198,546 -0.001,547 -0.19,548 0.027,549 -0.133,550 0.003,551 -0.081,552 0.018,553 -0.049,554 -0.032,555 0.033,556 -0.012,557 0.006,558 -0.038,559 0.002,560 -0.051,561 -0.039,562 -0.099,563 -0.086,564 -0.057,565 -0.095,566 -0.021,567 -0.139,568 -0.129,569 -0.123,570 -0.122,571 -0.139,572 1.711,573 4.659,574 0.839,575 30.008,576 0.989,577 1.122,578 3.051,579 9.311,580 0.671,581 3.584,582 3.932,583 4.234,584 4.522,585 4.804,586 4.86,587 4.97,588 5.056,589 5.17,590 5.193,591 7.612,592 0.629,593 412.58,594 3.584,595 5.142,596 6.009,597 6.899,598 7.78,599 8.673,600 9.559,601 10.453,602 11.341,603 12.234,604 6.8,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,628 59,629 19,630 2,631 35,632 63,633 26,634 15,635 7,636 5,637 3,638 5,639 7,642 2,647 1,649 18,650 8,653 2,654 1,655 2,656 1,658 1,660 28,661 5,662 1,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,681 1,683 2,684 1,687 3,688 2,691 31,694 6,695 1,698 2,704 1.7,706 1,709 15.167,710 11.267,711 6.667,712 3.726,713 3.919,714 1.468,715 1.026,716 5.412,717 12.295,718 3.839,719 4.454,720 5.061,721 5.656,722 6.242,723 6.503,724 6.817,725 7.109,726 7.391,727 7.251,728 0.889,729 53,730 11.48,731 4.9,732 7.516,733 22.651,734 19.211,735 2.016,736 62.5,738 1,739 317.82,740 143.248,741 41.045,743 25.145,745 143.248,746 342.965,747 41.045,748 17.65,749 31.074,750 85.286,751 46.635,752 28.793,754 317.82,756 317.82,757 184.293,758 25.145,760 294.278,761 48.687,764 56.749,765 91.806,766 35.738,767 317.82,768 66.19,769 143.248,770 317.82,771 40.312,772 109.185,773 18.011,774 41.93,775 317.82,776 66.19,777 143.248,778 0.589,779 0.348,780 0.193,781 0.112,782 26,783 11,784 0.063,785 4,786 2,787 1.154,788 4.302,789 287.527,790 0.154,791 26,792 147.58,793 20.081,794 8.355,795 4.048,796 2.311,797 66.19,798 14.854,799 4.688,802 7.068,804 18.011,805 527.258,806 45.5,807 11.659,808 3.593,809 -0.044,810 58.338,811 66.185,812 0.237,813 0.588,814 0.774,815 0.898,816 0.903,817 0.903,818 5.095,819 1.767,820 5.999,821 5.576,822 4.615,823 5.142,824 1.641,825 6.825,826 4.561,827 6.303,828 1.599,829 7.566,830 4.764,831 4.205,832 4.987,833 0.57,834 7.751,835 4.124,836 7.616,837 1.424,838 9.231,839 4.492,840 6.225,841 7.362,842 1.488,843 10.864,844 6.117,845 8.963,846 1.132,847 10.956,848 3.475,849 6.621,850 8.045,851 0.479,852 12.634,853 6.493,854 10.343,855 1,856 12.719,857 2.85,858 8.112,859 9.908,860 1.47,861 15.271,862 7.959,863 11.747,864 0.838,865 14.51,866 2.275,867 8.895,868 11.001,869 0.346,870 17.395,871 8.727,872 13.17,873 0.633,874 16.322,875 2.005,876 10.17,877 12.649,878 1.501,879 19.869,880 9.98,881 3.142,882 0.135,883 18.151,884 1.499,885 11.14,886 13.945,887 0.237,888 22.141,889 10.938,890 3.133,891 10.856,892 19.992,893 0.318,894 12.326,895 15.499,896 1.556,897 24.556,898 12.106,899 2.648,900 10.749,901 21.843,902 4.474,903 13.386,904 16.892,905 0.158,906 26.89,907 13.153,908 2.479,909 8.002,910 23.703,911 4.194,912 14.539,913 18.404,914 1.626,915 29.282,916 14.29,917 2.355,918 7.484,919 25.569,920 3.249,921 15.64,922 19.843,923 0.104,924 31.642,925 15.378,926 2.042,927 6.859,928 27.441,929 3.129,930 16.781,931 21.338,932 1.706,933 34.027,934 16.504,935 1.964,936 5.733,937 29.318,938 2.735,939 17.902,940 22.8,941 0.068,942 36.398,943 17.611,944 13554,945 20448,946 23.868,947 39.614,948 53.15,949 53.942,950 54.146,951 52.592,952 52.582,953 67.676,954 5.317,955 153.876,956 51.203,957 5.551,958 5.511,959 6.215,960 5.197,961 5.142,962 7.474,963 2.117,964 18.031,965 5.113,966 13.169,967 1.519,968 1.541,969 1.547,970 1.503,971 1.502,972 1.934,973 0.152,974 4.396,975 1.463,976 4.099,977 4.133,978 4.056,979 4.02,980 7.43,981 4.025,982 4.019,983 4.045,984 3.975,985 3.956,986 4.983,987 3.957,988 3.791,989 3.861,990 3.683,991 3.602,992 4.759,993 3.612,994 3.568,995 3.609,996 3.49,997 3.433,998 4.441,999 3.437,1000 3.511,1001 3.562,1002 3.408,1003 3.406,1004 4.287,1005 3.4,1006 3.337,1007 3.411,1008 3.184,1009 3.192,1010 4.2,1011 3.18,1012 3.111,1013 3.206,1014 2.962,1015 2.958,1016 3.983,1017 2.946,1018 3.097,1019 3.174,1020 2.892,1021 2.941,1022 3.902,1023 2.91,1024 0.13,1025 0.1,1026 0.191,1027 0.118,1028 0.09,1029 4.551,1030 0.128,1031 3.511,1032 0.03,1033 6.695,1034 0.31,1035 4.129,1036 0.089,1037 3.142,1038 4.474,1039 1.058,1040 10.856,1041 3.113,1042 2.048,1043 2.022,1044 2.129,1045 2.147,1046 1.369,1047 2.144,1048 1.998,1049 1.976,1050 2.093,1051 2.086,1052 1.282,1053 2.089,1054 1.748,1055 1.679,1056 1.947,1057 1.958,1058 1.175,1059 1.96,1060 1.537,1061 1.496,1062 1.737,1063 1.709,1064 0.917,1065 1.714,1066 1.511,1067 1.466,1068 1.704,1069 1.659,1070 0.825,1071 1.681,1072 1.35,1073 1.28,1074 1.635,1075 1.541,1076 0.804,1077 1.576,1078 1.153,1079 1.064,1080 1.513,1081 1.376,1082 0.745,1083 1.429,1084 1.117,1085 1.045,1086 1.428,1087 1.321,1088 0.48,1089 1.362,1090 4.263,1092 5.602,1094 7.148,1096 8.789,1098 10.478,1099 4.203,1104 6.173,1105 2.956,1108 5.039,1112 37.122,1113 82.259,1114 204.227,1115 268.695,1116 311.566,1117 313.566,1118 313.566,1119 40.852,1120 8.376,1121 52.23,1122 52.23,1123 30,1124 12.762,1125 4.322,1126 3.524,1127 43.935,1128 146,1129 127,1130 0.147,1131 225.104,1132 390.25,1133 541.013,1134 60891,1136 21.372,1137 0.689,1138 0.587,1139 21.372,1140 18.189,1141 15.081,1142 0.431,1143 0.315,1144 10.93,1145 14.674,1146 10.598,1147 8.754,1148 15.081,1149 11.036,1150 13.856,1151 0.277,1152 0.17,1153 13.856,1154 8.52,1155 11.948,1156 0.176,1157 0.095,1158 11.948,1159 6.49,1160 10.195,1161 0.112,1162 0.052,1163 10.195,1164 4.737,1165 8.789,1166 0.073,1167 0.029,1168 8.789,1169 3.469,1170 0.237,1171 93.064,1172 0.205,1173 29.402,1174 0.389,1175 170,1176 403.004,1177 180.818,1178 400.032,1179 564.5,1180 378,1181 203,1182 428.636,1183 214.209,1184 438.513,1185 644.29,1186 415,1187 4.6}
{0 CHEMBL1289048,1 1.38,2 13.281,3 4.438,4 19.693,5 131.87,6 6.881,7 0.472,8 4.21,9 4.339,10 3.73,11 3.779,12 5.205,13 3.737,14 4.783,15 4.983,16 4.107,17 4.193,18 5.711,19 4.135,20 5.039,21 5.248,22 4.222,23 4.409,24 5.959,25 4.322,26 5.174,27 5.397,28 4.127,29 4.474,30 6.032,31 4.333,32 5.257,33 5.531,34 4.022,35 4.432,36 6.002,37 4.26,38 5.172,39 5.457,40 3.91,41 4.3,42 5.903,43 4.134,44 5.034,45 5.299,46 3.793,47 4.197,48 5.808,49 4.03,50 5.015,51 5.307,52 3.641,53 4.094,54 5.752,55 3.908,56 0.049,57 0.911,58 13.753,59 5.742,60 8.375,61 8.064,62 0.254,63 1.545,64 26.18,65 9.274,66 21.868,67 13.589,68 0.299,69 1.936,70 34.094,71 12.606,72 31.824,73 18.106,74 0.277,75 2.094,76 39.211,77 15.916,78 39.333,79 22.481,80 0.275,81 2.185,82 43.879,83 17.079,84 39.616,85 24.91,86 0.36,87 2.016,88 40.963,89 14.661,90 36.598,91 21.729,92 0.292,93 1.765,94 35.175,95 13.082,96 34.665,97 19.057,98 0.365,99 1.655,100 35.451,101 12.781,102 41.586,103 18.746,104 17,105 52,106 0.221,107 0.539,108 0.737,109 0.848,110 0.853,111 0.853,112 3.502,113 0.953,114 -4.48,115 -4.41,116 -4.15,117 43.5,118 2,119 1,122 1,123 5,128 2,129 7,130 4,131 2,133 2,140 1,149 12,150 1,151 11,155 15,157 1,158 9,163 14,165 1,166 9,172 11,175 9,178 4,180 1,181 8,186 1,188 1,189 5,192 2,194 1,195 3,200 4,202 1,203 4,208 8,210 1634,211 21.723,212 21.723,213 21.723,214 21.723,215 21.723,216 19.42,217 26.913,218 12.482,219 22.089,220 17.715,221 17.715,222 17.715,223 17.715,224 17.715,225 14.104,226 35.777,227 5.875,228 18.284,229 4.574,230 2.581,231 1.341,232 0.649,233 0.617,234 0.617,235 4.212,239 944,240 2.828,243 428.747,245 287.712,246 1.934,247 17.901,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 67,258 425,259 4.551,260 3.675,261 6.821,262 4.2,263 3.218,264 4.474,265 1.2,266 11.215,267 3.162,268 4.549,269 3.281,270 6.695,271 4.108,272 3.139,273 4.225,274 0.8,275 10.856,276 3.046,277 3.962,278 3.195,279 6.151,280 3.678,281 2.705,282 3.276,283 0.8,284 8.747,285 2.632,286 3.855,287 2.871,288 5.807,289 3.572,290 2.629,291 3.249,292 0.293,293 8,294 2.467,295 3.531,296 2.646,297 5.343,298 3.302,299 2.365,300 2.735,302 6.884,303 2.217,304 3.379,305 2.533,306 5.295,307 3.011,308 2.042,309 2.623,311 6.11,312 2,313 3.33,314 2.255,315 4.961,316 2.984,317 1.978,318 2.5,320 5.732,321 1.955,322 3.215,323 1.996,324 4.742,325 2.811,326 1.818,327 2.413,328 4.922,329 1.801,330 3.03,331 1.663,332 4.56,333 2.579,334 1.602,335 2.245,336 4.496,337 1.564,338 2.788,339 1.549,340 4.05,341 2.415,342 1.431,343 1.853,344 3.489,345 1.405,346 2.649,347 1.464,348 3.999,349 2.252,350 1.275,351 1.596,352 3.227,353 1.242,354 2.259,355 1.156,356 3.414,357 1.967,358 1,359 1.17,360 2.275,361 0.965,362 2,363 1.146,364 3.395,365 1.847,366 0.868,367 1,368 2.051,369 0.848,370 1.955,371 0.899,372 3.331,373 1.712,374 0.731,375 0.854,376 1.761,377 0.715,378 1.835,379 0.764,380 2.932,381 1.326,382 0.309,383 0.416,384 0.714,385 0.311,386 15.433,387 0.482,388 0.836,389 0.026,390 41,391 1.281,392 20,393 0.625,394 21,395 0.656,396 29.988,397 0.937,398 33.767,399 0.545,400 30.387,401 0.95,402 8.032,403 0.251,404 7.476,405 0.234,406 0.119,408 0.369,412 0.752,413 1.409,414 0.84,415 1.121,416 0.585,417 1.008,418 1.065,419 1.03,420 0.875,421 0.828,422 0.538,423 0.819,424 1.176,425 0.994,426 1.047,427 0.963,428 0.83,429 0.979,430 0.932,431 1.166,432 1.155,433 1.226,434 1.045,435 1.22,436 0.674,437 1.082,438 0.98,439 1.09,440 0.603,441 1.068,442 0.924,443 0.942,444 1.006,445 0.957,446 0.694,447 0.977,448 0.967,449 1.087,450 1.118,451 1.126,452 0.908,453 1.134,454 1.061,455 0.939,456 1.022,457 0.952,458 1.169,459 0.983,460 6,461 0.174,462 4.667,463 2.375,464 2.218,465 1.146,466 0.746,467 0.391,468 0.27,469 0.229,470 15802,471 34646,472 2.135,473 48.4,474 3,475 22,479 3,480 2,482 1.74,483 2,484 3.637,485 -0.836,488 85.571,489 1.38,490 3.373,491 4.613,492 5.305,493 5.337,494 5.337,495 3.018,496 4.688,497 4.977,498 3.832,499 1900.46,500 8.673,501 28318.1,503 1,506 369.16,507 1.406,508 4.933,509 0.167,510 0.007,511 0.09,512 0.042,513 0.045,514 0.027,515 0.02,516 0.012,517 0.01,518 0.009,519 0.427,520 0.33,521 0.88,522 0.531,523 169.669,524 0.046,525 -0.239,526 0.082,527 -0.073,528 -0.015,529 -0.009,530 0.01,531 0.109,532 0.103,533 0.142,534 0.093,535 0.136,536 -0.115,537 0.102,538 -0.073,539 0.019,540 0.013,541 -0.013,542 -0.062,543 -0.168,544 -0.2,545 -0.207,546 -0.079,547 -0.218,548 0.025,549 -0.139,550 -0.013,551 -0.094,552 0.008,553 -0.064,554 -0.027,555 0.028,556 -0.013,557 0.001,558 -0.026,559 -0.002,560 -0.042,561 -0.113,562 -0.136,563 -0.151,564 -0.068,565 -0.153,566 -0.009,567 -0.016,568 -0.018,569 0.012,570 -0.076,571 -0.004,572 1.623,573 5.027,574 0.813,575 31.063,576 0.987,577 1.123,578 3.253,579 10.579,580 0.667,581 3.611,582 3.97,583 4.29,584 4.564,585 4.844,586 4.92,587 5.024,588 5.106,589 5.209,590 5.247,591 7.723,592 0.623,593 426.61,594 3.611,595 5.176,596 6.052,597 6.946,598 7.836,599 8.733,600 9.626,601 10.525,602 11.42,603 12.318,604 6.5,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,628 62,629 19,630 2,631 36,632 66,633 27,634 15,635 7,636 5,637 3,638 5,639 7,642 2,647 1,649 18,650 9,653 2,654 1,655 2,656 1,660 30,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 3,691 32,694 6,698 3,704 1.6,706 1,709 16,710 12.217,711 6.889,712 3.901,713 3.93,714 1.465,715 1.015,716 5.646,717 12.39,718 3.861,719 4.477,720 5.098,721 5.683,722 6.269,723 6.544,724 6.861,725 7.14,726 7.42,727 7.304,728 0.889,729 57,730 11.86,731 5.046,732 7.5,733 23.432,734 19.827,735 2,736 64,739 353.133,740 151.645,741 26.158,743 25.145,745 151.645,746 378.278,747 26.158,748 26.047,749 16.187,750 85.286,751 46.635,752 28.793,754 353.133,756 353.133,757 177.803,758 25.145,760 329.591,761 48.687,764 41.863,765 100.202,766 35.738,767 353.133,768 51.303,769 151.645,770 353.133,771 40.312,772 120.706,774 41.93,775 353.133,776 51.303,777 151.645,778 0.593,779 0.359,780 0.193,781 0.11,782 27,783 12,784 0.061,785 4,786 2,787 1.154,788 4.329,789 302.181,790 0.154,791 26,792 154,793 21.025,794 8.593,795 4.033,796 2.314,797 51.303,798 14.955,799 4.695,802 7.222,805 556.081,806 46.5,807 12.027,808 3.679,809 0.044,810 61.221,811 69.6,812 0.232,813 0.567,814 0.775,815 0.891,816 0.896,817 0.896,818 5.125,819 1.818,820 6.052,821 5.732,822 4.654,823 5.165,824 1.758,825 6.899,826 4.595,827 6.337,828 1.602,829 7.637,830 4.922,831 4.29,832 5.027,833 0.766,834 7.872,835 4.193,836 7.655,837 1.431,838 9.321,839 4.496,840 6.286,841 7.387,842 1.696,843 10.995,844 6.166,845 9.008,846 1.275,847 11.065,848 3.489,849 6.735,850 8.087,851 0.931,852 12.796,853 6.582,854 10.395,855 1,856 12.846,857 3.227,858 8.206,859 9.937,860 1.83,861 15.449,862 8.032,863 11.805,864 0.868,865 14.653,866 2.275,867 9.029,868 11.04,869 1.142,870 17.593,871 8.83,872 13.234,873 0.731,874 16.48,875 2.051,876 10.297,877 12.681,878 2.038,879 20.085,880 10.077,881 3.218,882 0.309,883 18.322,884 1.761,885 11.296,886 13.982,887 1.436,888 22.375,889 11.055,890 3.139,891 11.215,892 20.175,893 0.714,894 12.484,895 15.532,896 2.286,897 24.809,898 12.223,899 2.705,900 10.856,901 22.038,902 4.474,903 13.564,904 16.927,905 1.783,906 27.161,907 13.285,908 2.629,909 8.747,910 23.908,911 4.225,912 14.724,913 18.437,914 2.561,915 29.575,916 14.425,917 2.365,918 8,919 25.785,920 3.276,921 15.842,922 19.878,923 2.156,924 31.955,925 15.525,926 2.042,927 6.884,928 27.666,929 3.249,930 16.994,931 21.372,932 2.856,933 34.361,934 16.657,935 1.978,936 6.11,937 29.552,938 2.735,939 18.13,940 22.834,941 2.541,942 36.754,943 17.775,944 14588,945 21726,946 24.274,947 41.375,948 55.026,949 55.703,950 56.328,951 54.279,952 54.221,953 69.257,954 6.186,955 160.96,956 52.659,957 5.551,958 5.675,959 6.341,960 5.267,961 5.218,962 7.474,963 2.293,964 18.696,965 5.162,966 15.397,967 1.528,968 1.547,969 1.565,970 1.508,971 1.506,972 1.924,973 0.172,974 4.471,975 1.463,976 4.101,977 4.135,978 4.058,979 4.022,980 7.429,981 4.026,982 4.026,983 4.053,984 3.984,985 3.961,986 4.983,987 3.963,988 3.793,989 3.863,990 3.685,991 3.603,992 4.747,993 3.613,994 3.592,995 3.636,996 3.513,997 3.448,998 4.44,999 3.455,1000 3.513,1001 3.565,1002 3.409,1003 3.409,1004 4.286,1005 3.402,1006 3.34,1007 3.412,1008 3.189,1009 3.197,1010 4.203,1011 3.185,1012 3.193,1013 3.282,1014 3.026,1015 3.002,1016 4.003,1017 2.995,1018 3.111,1019 3.206,1020 2.918,1021 2.945,1022 3.947,1023 2.927,1024 0.126,1025 0.102,1026 0.189,1027 0.117,1028 0.089,1029 4.551,1030 0.124,1031 3.675,1032 0.033,1033 6.821,1034 0.312,1035 4.2,1036 0.088,1037 3.218,1038 4.474,1039 1.2,1040 11.215,1041 3.162,1042 2.048,1043 2.022,1044 2.129,1045 2.147,1046 1.371,1047 2.144,1048 2.004,1049 1.981,1050 2.096,1051 2.093,1052 1.287,1053 2.094,1054 1.75,1055 1.68,1056 1.948,1057 1.96,1058 1.178,1059 1.962,1060 1.555,1061 1.513,1062 1.751,1063 1.739,1064 0.935,1065 1.744,1066 1.516,1067 1.469,1068 1.728,1069 1.661,1070 0.825,1071 1.686,1072 1.352,1073 1.284,1074 1.635,1075 1.541,1076 0.807,1077 1.577,1078 1.199,1079 1.11,1080 1.535,1081 1.433,1082 0.784,1083 1.471,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.595,1089 1.429,1090 4.29,1092 5.638,1094 7.195,1096 8.848,1098 10.55,1099 6.073,1104 6.188,1108 6.802,1112 38.649,1113 85.571,1114 209.131,1115 286.025,1116 328.896,1117 330.896,1118 330.896,1119 43.884,1120 8.46,1121 41.37,1122 41.37,1123 30,1124 12.842,1125 4.322,1126 3.524,1127 46.024,1128 153,1129 136,1130 0.147,1131 234.696,1132 407.55,1133 564.419,1134 67085,1136 22.242,1137 0.695,1138 0.598,1139 22.242,1140 19.136,1141 15.508,1142 0.431,1143 0.318,1144 11.311,1145 15.066,1146 10.916,1147 9.039,1148 15.508,1149 11.43,1150 14.255,1151 0.274,1152 0.171,1153 14.255,1154 8.9,1155 12.685,1156 0.176,1157 0.096,1158 12.685,1159 6.892,1160 10.509,1161 0.111,1162 0.052,1163 10.509,1164 4.955,1165 8.936,1166 0.071,1167 0.029,1168 8.936,1169 3.6,1170 0.237,1171 95.843,1172 0.203,1173 30.125,1174 0.389,1175 176,1176 414.316,1177 187.179,1178 410.381,1179 580.62,1180 388,1181 212,1182 442.552,1183 224.374,1184 453.396,1185 667.65,1186 428,1187 5.4}
{0 CHEMBL1289163,1 1.5,2 13.281,3 4.157,4 17.281,5 127.045,6 7.298,7 0.472,8 4.174,9 4.298,10 3.738,11 3.736,12 5.227,13 3.709,14 4.743,15 4.934,16 4.122,17 4.148,18 5.756,19 4.108,20 5.014,21 5.222,22 4.24,23 4.351,24 6.024,25 4.285,26 5.125,27 5.343,28 4.144,29 4.394,30 6.102,31 4.28,32 5.183,33 5.448,34 4.045,35 4.344,36 6.073,37 4.199,38 5.082,39 5.353,40 3.939,41 4.202,42 5.954,43 4.066,44 4.97,45 5.234,46 3.821,47 4.061,48 6.021,49 3.938,50 4.828,51 5.093,52 3.638,53 3.964,54 5.703,55 3.819,56 0.01,57 0.943,58 12.166,59 5.429,60 6.06,61 7.238,62 0.222,63 1.579,64 24.04,65 8.737,66 20.404,67 12.185,68 0.304,69 2.013,70 32.571,71 12.043,72 35.405,73 16.401,74 0.314,75 2.16,76 37.186,77 14.846,78 54.399,79 19.838,80 0.462,81 2.203,82 41.611,83 15.56,84 58.579,85 21.942,86 0.32,87 1.975,88 37.769,89 13.651,90 45.514,91 19.259,92 0.602,93 1.853,94 34.859,95 11.797,96 98.77,97 15.815,98 0.442,99 1.536,100 29.54,101 10.363,102 49.621,103 14.532,104 17,105 52,106 0.242,107 0.569,108 0.751,109 0.852,110 0.857,111 0.857,112 3.502,113 0.927,114 -4.65,115 -4.57,116 -4.3,117 44.1,118 1,119 1,122 1,123 5,128 2,129 7,130 3,131 3,133 2,140 1,149 9,150 1,151 11,155 10,157 1,158 9,163 10,165 1,166 7,172 9,175 7,178 3,180 1,181 7,186 1,188 1,189 3,192 2,194 1,195 2,200 4,202 1,203 4,208 6,210 1634,211 21.723,212 21.723,213 21.723,214 21.723,215 21.723,216 19.42,217 26.332,218 12.482,219 22.14,220 17.715,221 17.715,222 17.715,223 17.715,224 17.715,225 14.104,226 35.067,227 5.875,228 18.392,229 4.383,230 2.353,231 1.227,232 0.602,233 0.568,234 0.568,235 4.212,238 1,239 944,240 2.828,243 428.747,245 287.712,246 1.934,247 29.225,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 68.5,258 425,259 4.551,260 3.678,261 6.821,262 4.193,263 3.218,264 4.474,265 1.2,266 11.215,267 3.137,268 4.549,269 3.295,270 6.695,271 4.108,272 3.139,273 4.225,274 0.8,275 10.856,276 3.046,277 3.962,278 3.273,279 6.151,280 3.665,281 2.705,282 3.276,283 0.8,284 8.747,285 2.594,286 3.855,287 2.873,288 5.807,289 3.57,290 2.629,291 3.249,292 0.293,293 8,294 2.464,295 3.531,296 2.655,297 5.343,298 3.301,299 2.365,300 2.735,302 6.884,303 2.216,304 3.379,305 2.632,306 5.295,307 3.009,308 2.042,309 2.623,311 6.11,312 1.975,313 3.33,314 2.261,315 4.961,316 2.961,317 1.978,318 2.5,320 5.732,321 1.924,322 3.215,323 2.141,324 4.742,325 2.798,326 1.818,327 2.413,328 4.922,329 1.767,330 3.03,331 1.664,332 4.56,333 2.579,334 1.602,335 2.245,336 4.496,337 1.563,338 2.788,339 1.561,340 4.05,341 2.414,342 1.431,343 1.853,344 3.489,345 1.403,346 2.649,347 1.465,348 3.999,349 2.248,350 1.275,351 1.596,352 3.227,353 1.236,354 2.259,355 1.212,356 3.414,357 1.967,358 1,359 1.17,360 2.275,361 0.965,362 2,363 1.146,364 3.395,365 1.845,366 0.868,367 1,368 2.051,369 0.845,370 1.955,371 0.899,372 3.331,373 1.698,374 0.731,375 0.854,376 1.761,377 0.702,378 1.835,379 0.779,380 2.932,381 1.317,382 0.309,383 0.416,384 0.714,385 0.306,386 15.219,387 0.476,388 0.836,389 0.026,390 41.25,391 1.289,392 20,393 0.625,394 21.25,395 0.664,396 28.787,397 0.9,398 33.981,399 0.576,400 31.588,401 0.987,402 8.195,403 0.256,404 7.313,405 0.229,406 0.106,408 0.375,411 1,412 0.623,413 1.267,414 0.763,415 1.106,416 0.508,417 0.983,418 0.839,419 1.003,420 0.839,421 0.856,422 0.512,423 0.832,424 1.023,425 0.983,426 0.996,427 0.948,428 0.807,429 0.952,430 1.029,431 1.139,432 1.144,433 1.2,434 1.085,435 1.2,436 0.759,437 0.966,438 0.99,439 1.062,440 0.801,441 1.066,442 0.857,443 1.056,444 0.973,445 1.055,446 0.805,447 1.035,448 1.449,449 1.111,450 1.177,451 0.981,452 1.448,453 1.024,454 1.033,455 0.932,456 1.136,457 1.002,458 1.049,459 1.069,460 6,461 0.174,462 4.667,463 2.375,464 2.218,465 1.146,466 0.746,467 0.391,468 0.27,469 0.229,470 15802,471 38990,472 2.135,473 45.8,475 22,479 3,480 2,482 1.74,483 2,484 3.637,485 -0.805,487 1,488 88.483,489 1.5,490 3.529,491 4.656,492 5.281,493 5.315,494 5.315,495 3.018,496 4.688,497 4.977,498 3.832,499 1900.46,500 8.673,501 28318.1,503 1,506 347.076,507 1.406,508 4.933,509 0.167,510 0.007,511 0.09,512 0.042,513 0.045,514 0.027,515 0.02,516 0.012,517 0.01,518 0.009,519 0.427,520 0.33,521 0.88,522 0.531,523 169.669,524 0.005,525 -0.206,526 0.071,527 -0.077,528 -0.015,529 -0.011,530 -0.023,531 0.028,532 0.077,533 0.103,534 0.056,535 0.109,536 -0.098,537 0.05,538 -0.054,539 0.023,540 -0.002,541 0.003,542 -0.082,543 -0.132,544 -0.193,545 -0.188,546 -0.08,547 -0.208,548 0.079,549 -0.021,550 -0.009,551 -0.068,552 0.002,553 -0.058,554 0.01,555 -0.122,556 0.02,557 -0.082,558 -0.006,559 -0.04,560 -0.035,561 0.047,562 -0.12,563 -0.01,564 -0.005,565 -0.063,566 -0.012,567 0.065,568 -0.131,569 -0.031,570 -0.085,571 -0.088,572 1.867,573 6.646,574 0.813,575 31.063,576 0.997,577 1.128,578 3.42,579 11.699,580 0.67,581 3.611,582 3.97,583 4.29,584 4.564,585 4.844,586 4.92,587 5.024,588 5.106,589 5.209,590 5.247,591 7.723,592 0.636,593 430.57,594 3.611,595 5.176,596 6.052,597 6.946,598 7.836,599 8.733,600 9.626,601 10.525,602 11.42,603 12.318,604 6.8,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,627 1,628 59,629 19,630 2,631 36,632 63,633 26,634 15,635 7,636 5,637 3,638 5,639 7,642 1,647 1,649 18,650 8,653 2,654 1,655 2,656 1,658 1,659 1,660 27,661 6,663 6,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 2,690 1,691 32,694 6,698 3,703 1,704 1.7,706 1,709 16,710 11.36,711 6.889,712 3.687,713 3.93,714 1.465,715 1.021,716 5.604,717 12.39,718 3.861,719 4.477,720 5.098,721 5.683,722 6.269,723 6.544,724 6.861,725 7.14,726 7.42,727 7.304,728 0.889,729 57,730 11.91,731 5.169,732 7.688,733 23.079,734 19.553,735 2.188,736 70,738 1,739 317.82,740 148.755,741 26.158,743 25.145,744 14.96,745 148.755,746 342.965,747 41.119,748 17.222,749 16.187,750 85.286,751 46.635,752 34.728,753 14.96,754 317.82,756 317.82,757 174.913,758 40.105,760 309.238,761 48.687,764 33.038,765 106.138,766 35.738,767 332.78,768 51.303,769 148.755,770 317.82,771 46.247,772 111.881,774 56.891,775 317.82,776 66.264,777 148.755,778 0.593,779 0.359,780 0.193,781 0.11,782 27,783 12,784 0.063,785 4,786 2,787 1.154,788 4.329,789 302.181,790 0.154,791 26,792 154,793 20.964,794 8.555,795 4.011,796 2.223,797 66.264,798 13.71,799 4.66,802 4.35,805 532.838,806 46.5,807 11.933,808 3.273,809 -0.079,810 58.85,811 66.525,812 0.255,813 0.6,814 0.791,815 0.898,816 0.903,817 0.903,818 5.125,819 1.818,820 6.052,821 5.732,822 4.654,823 5.165,824 1.758,825 6.899,826 4.583,827 6.337,828 1.602,829 7.637,830 4.922,831 4.29,832 5.027,833 0.766,834 7.872,835 4.165,836 7.655,837 1.431,838 9.321,839 4.496,840 6.286,841 7.387,842 1.696,843 10.995,844 6.145,845 9.008,846 1.275,847 11.065,848 3.489,849 6.735,850 8.087,851 0.931,852 12.796,853 6.546,854 10.395,855 1,856 12.846,857 3.227,858 8.206,859 9.937,860 1.83,861 15.449,862 8.001,863 11.805,864 0.868,865 14.653,866 2.275,867 9.029,868 11.04,869 1.142,870 17.593,871 8.788,872 13.234,873 0.731,874 16.48,875 2.051,876 10.297,877 12.681,878 2.038,879 20.085,880 10.036,881 3.218,882 0.309,883 18.322,884 1.761,885 11.296,886 13.982,887 1.436,888 22.375,889 11.005,890 3.139,891 11.215,892 20.175,893 0.714,894 12.484,895 15.532,896 2.286,897 24.809,898 12.172,899 2.705,900 10.856,901 22.038,902 4.474,903 13.564,904 16.927,905 1.783,906 27.161,907 13.226,908 2.629,909 8.747,910 23.908,911 4.225,912 14.724,913 18.437,914 2.561,915 29.575,916 14.364,917 2.365,918 8,919 25.785,920 3.276,921 15.842,922 19.878,923 2.156,924 31.955,925 15.457,926 2.042,927 6.884,928 27.666,929 3.249,930 16.994,931 21.372,932 2.856,933 34.361,934 16.585,935 1.978,936 6.11,937 29.552,938 2.735,939 18.13,940 22.834,941 2.541,942 36.754,943 17.697,944 14588,945 23064,946 24.274,947 39.552,948 55.026,949 56.148,950 56.328,951 54.347,952 54.221,953 69.257,954 6.186,955 160.96,956 52.286,957 5.551,958 5.678,959 6.341,960 5.261,961 5.218,962 7.474,963 2.293,964 18.696,965 5.137,966 15.397,967 1.528,968 1.56,969 1.565,970 1.51,971 1.506,972 1.924,973 0.172,974 4.471,975 1.452,976 4.099,977 4.133,978 4.057,979 4.019,980 8.201,981 4.024,982 4.02,983 4.046,984 3.985,985 3.944,986 7.429,987 3.95,988 3.792,989 3.863,990 3.684,991 3.603,992 4.983,993 3.613,994 3.57,995 3.614,996 3.506,997 3.426,998 4.675,999 3.43,1000 3.508,1001 3.557,1002 3.408,1003 3.389,1004 4.44,1005 3.392,1006 3.331,1007 3.397,1008 3.188,1009 3.193,1010 4.286,1011 3.181,1012 3.189,1013 3.281,1014 3.023,1015 2.986,1016 4.102,1017 2.982,1018 3.111,1019 3.206,1020 2.915,1021 2.941,1022 3.993,1023 2.923,1024 0.126,1025 0.102,1026 0.189,1027 0.116,1028 0.089,1029 4.551,1030 0.124,1031 3.678,1032 0.033,1033 6.821,1034 0.312,1035 4.193,1036 0.087,1037 3.218,1038 4.474,1039 1.2,1040 11.215,1041 3.137,1042 2.048,1043 2.022,1044 2.128,1045 2.147,1046 1.363,1047 2.144,1048 1.983,1049 1.961,1050 2.067,1051 2.085,1052 1.263,1053 2.08,1054 1.749,1055 1.68,1056 1.945,1057 1.96,1058 1.17,1059 1.961,1060 1.534,1061 1.488,1062 1.741,1063 1.714,1064 0.934,1065 1.718,1066 1.491,1067 1.45,1068 1.696,1069 1.65,1070 0.825,1071 1.669,1072 1.337,1073 1.275,1074 1.571,1075 1.515,1076 0.805,1077 1.537,1078 1.191,1079 1.096,1080 1.53,1081 1.433,1082 0.661,1083 1.471,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.569,1089 1.429,1090 4.29,1092 5.638,1094 7.195,1096 8.848,1098 10.55,1099 3.749,1101 14.646,1104 5.141,1108 6.395,1112 37.505,1113 88.483,1114 208.227,1115 274.695,1116 311.566,1117 313.566,1118 313.566,1119 54.06,1120 8.46,1121 41.37,1122 41.37,1123 30,1124 12.842,1125 4.322,1126 3.524,1127 46.024,1128 153,1129 136,1130 0.147,1131 226.302,1132 396.32,1133 543.937,1134 67085,1135 1.7,1136 22.242,1137 0.695,1138 0.579,1139 21.372,1140 18.514,1141 15.508,1142 0.431,1143 0.309,1144 10.975,1145 14.954,1146 10.671,1147 8.787,1148 15.097,1149 11.119,1150 14.255,1151 0.274,1152 0.165,1153 13.728,1154 8.564,1155 12.685,1156 0.176,1157 0.092,1158 12.204,1159 6.601,1160 10.509,1161 0.111,1162 0.05,1163 10.182,1164 4.742,1165 8.936,1166 0.071,1167 0.027,1168 8.702,1169 3.451,1170 0.237,1171 96.709,1172 0.203,1173 30.125,1174 0.389,1175 176,1176 500.427,1177 191.01,1178 463.764,1179 639.54,1180 436,1181 212,1182 475.885,1183 227.866,1184 478.516,1185 706.11,1186 452,1187 4.5}
{0 CHEMBL1289164,1 1.5,2 13.281,3 4.616,4 21.307,5 131.634,6 7.577,7 0.472,8 4.171,9 4.293,10 3.77,11 3.758,12 5.191,13 3.72,14 4.74,15 4.928,16 4.165,17 4.176,18 5.71,19 4.122,20 5.009,21 5.213,22 4.3,23 4.39,24 5.964,25 4.305,26 5.119,27 5.33,28 4.213,29 4.44,30 6.029,31 4.303,32 5.177,33 5.435,34 4.127,35 4.384,36 5.988,37 4.221,38 5.076,39 5.343,40 4.042,41 4.261,42 5.873,43 4.098,44 4.957,45 5.209,46 3.932,47 4.139,48 5.846,49 3.976,50 4.82,51 5.078,52 3.691,53 4.001,54 5.622,55 3.836,56 0.023,57 0.859,58 11.874,59 5.313,60 6.902,61 7.222,62 0.231,63 1.466,64 24.208,65 8.77,66 20.521,67 12.296,68 0.3,69 1.831,70 33.967,71 12.214,72 32.09,73 16.822,74 0.291,75 1.922,76 40.222,77 15.203,78 43.527,79 20.66,80 0.373,81 1.97,82 45.799,83 16.103,84 44.748,85 22.725,86 0.311,87 1.794,88 40.567,89 14.254,90 37.461,91 20.094,92 0.464,93 1.544,94 42.039,95 12.653,96 55.743,97 17.32,98 0.368,99 1.38,100 33.243,101 10.828,102 35.512,103 15.24,104 17,105 52,106 0.242,107 0.569,108 0.751,109 0.852,110 0.857,111 0.857,112 3.502,113 0.958,114 -4.75,115 -4.66,116 -4.38,117 44.1,118 1,119 1,122 1,123 5,128 2,129 7,130 3,131 3,133 2,140 1,149 9,150 1,151 11,155 12,157 1,158 9,163 13,165 1,166 7,172 10,175 9,178 4,180 1,181 7,186 1,188 1,189 4,192 2,194 1,195 3,200 4,202 1,203 4,208 6,210 1634,211 21.723,212 21.723,213 21.723,214 21.723,215 21.723,216 19.42,217 26.312,218 12.482,219 22.199,220 17.715,221 17.715,222 17.715,223 17.715,224 17.715,225 14.104,226 35.043,227 5.875,228 18.518,229 4.383,230 2.353,231 1.227,232 0.602,233 0.568,234 0.568,235 4.212,236 1,239 944,240 2.828,243 428.747,245 287.712,246 1.934,247 21.615,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 67.333,258 425,259 4.551,260 3.678,261 6.821,262 4.188,263 3.218,264 4.474,265 1.2,266 11.215,267 3.118,268 4.549,269 3.302,270 6.695,271 4.108,272 3.139,273 4.225,274 0.8,275 10.856,276 3.046,277 3.962,278 3.275,279 6.151,280 3.654,281 2.705,282 3.276,283 0.8,284 8.747,285 2.561,286 3.855,287 2.874,288 5.807,289 3.568,290 2.629,291 3.249,292 0.293,293 8,294 2.462,295 3.531,296 2.66,297 5.343,298 3.301,299 2.365,300 2.735,302 6.884,303 2.215,304 3.379,305 2.636,306 5.295,307 3.008,308 2.042,309 2.623,311 6.11,312 1.97,313 3.33,314 2.262,315 4.961,316 2.943,317 1.978,318 2.5,320 5.732,321 1.89,322 3.215,323 2.148,324 4.742,325 2.783,326 1.818,327 2.413,328 4.922,329 1.695,330 3.03,331 1.665,332 4.56,333 2.579,334 1.602,335 2.245,336 4.496,337 1.563,338 2.788,339 1.562,340 4.05,341 2.413,342 1.431,343 1.853,344 3.489,345 1.4,346 2.649,347 1.465,348 3.999,349 2.244,350 1.275,351 1.596,352 3.227,353 1.225,354 2.259,355 1.216,356 3.414,357 1.967,358 1,359 1.17,360 2.275,361 0.965,362 2,363 1.146,364 3.395,365 1.843,366 0.868,367 1,368 2.051,369 0.841,370 1.955,371 0.899,372 3.331,373 1.687,374 0.731,375 0.854,376 1.761,377 0.68,378 1.835,379 0.78,380 2.932,381 1.311,382 0.309,383 0.416,384 0.714,385 0.297,386 15.648,387 0.489,388 0.836,389 0.026,390 41.25,391 1.289,392 20,393 0.625,394 21.25,395 0.664,396 29.857,397 0.933,398 33.552,399 0.569,400 30.518,401 0.954,402 8.064,403 0.252,404 7.444,405 0.233,406 0.131,408 0.364,412 0.686,413 1.406,414 0.664,415 1.034,416 0.545,417 0.949,418 0.961,419 1.054,420 0.733,421 0.789,422 0.527,423 0.801,424 1.104,425 0.97,426 0.927,427 0.898,428 0.814,429 0.931,430 1.001,431 1.141,432 1.13,433 1.19,434 1.079,435 1.196,436 0.711,437 1.049,438 0.986,439 1.095,440 0.671,441 1.073,442 0.838,443 1.016,444 0.927,445 0.99,446 0.735,447 1.008,448 1.22,449 0.972,450 1.455,451 1.131,452 1.061,453 1.097,454 0.973,455 1.005,456 1.196,457 1.105,458 0.896,459 1.11,460 6,461 0.174,462 4.667,463 2.375,464 2.218,465 1.146,466 0.746,467 0.391,468 0.27,469 0.229,470 15802,471 38990,472 2.135,473 45.8,475 22,479 3,480 2,482 1.74,483 2,484 3.637,485 -0.805,488 88.483,489 1.5,490 3.529,491 4.656,492 5.281,493 5.315,494 5.315,495 3.018,496 4.688,497 4.977,498 3.832,499 1900.46,500 8.673,501 28318.1,503 1,506 347.076,507 1.406,508 4.933,509 0.167,510 0.007,511 0.09,512 0.042,513 0.045,514 0.027,515 0.02,516 0.012,517 0.01,518 0.009,519 0.427,520 0.33,521 0.88,522 0.531,523 169.669,524 0.017,525 -0.248,526 0.049,527 -0.074,528 -0.014,529 -0.012,530 -0.023,531 0.09,532 0.07,533 0.133,534 0.081,535 0.118,536 -0.118,537 0.114,538 -0.036,539 0.051,540 0.011,541 0.012,542 -0.085,543 -0.157,544 -0.164,545 -0.189,546 -0.091,547 -0.207,548 0.071,549 -0.107,550 -0.003,551 -0.097,552 0.006,553 -0.064,554 0.014,555 -0.059,556 0.05,557 -0.009,558 -0.015,559 -0.011,560 -0.035,561 -0.022,562 -0.159,563 -0.117,564 -0.033,565 -0.103,566 -0.006,567 -0.04,568 -0.15,569 -0.121,570 -0.079,571 -0.121,572 1.666,573 4.994,574 0.813,575 31.063,576 0.994,577 1.121,578 3.521,579 12.394,580 0.686,581 3.611,582 3.97,583 4.29,584 4.564,585 4.844,586 4.92,587 5.024,588 5.106,589 5.209,590 5.247,591 7.723,592 0.643,593 447.02,594 3.611,595 5.176,596 6.052,597 6.946,598 7.836,599 8.733,600 9.626,601 10.525,602 11.42,603 12.318,604 6.8,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,627 1,628 59,629 19,630 2,631 36,632 63,633 26,634 15,635 7,636 5,637 3,638 5,639 7,640 1,642 1,647 1,649 18,650 8,653 2,654 1,655 2,656 1,660 27,661 5,663 6,664 1,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 2,689 1,691 32,694 6,698 3,703 1,704 1.7,706 1,709 16,710 11.36,711 6.889,712 3.687,713 3.93,714 1.465,715 1.018,716 5.831,717 12.39,718 3.861,719 4.477,720 5.098,721 5.683,722 6.269,723 6.544,724 6.861,725 7.14,726 7.42,727 7.304,728 0.889,729 57,730 11.85,731 5.077,732 7.566,733 23.218,734 19.661,735 2.066,736 66.111,739 317.82,740 143.135,741 26.158,742 39.149,743 25.145,745 143.135,746 382.113,747 26.158,748 17.222,749 16.187,750 85.286,751 46.635,752 29.108,754 317.82,755 39.149,756 317.82,757 169.293,758 25.145,759 39.149,760 294.278,761 48.687,764 33.038,765 100.517,766 74.887,767 317.82,768 51.303,769 182.283,770 317.82,771 40.627,772 111.881,774 81.079,775 317.82,776 51.303,777 182.283,778 0.593,779 0.359,780 0.193,781 0.11,782 27,783 12,784 0.063,785 4,786 2,787 1.154,788 4.329,789 302.181,790 0.154,791 26,792 152,793 21.296,794 8.762,795 4.129,796 2.282,797 51.303,798 14.517,799 4.683,802 6.212,805 551.406,806 46.5,807 11.994,808 3.536,809 0.001,810 58.661,811 66.129,812 0.255,813 0.6,814 0.791,815 0.898,816 0.903,817 0.903,818 5.125,819 1.818,820 6.052,821 5.732,822 4.654,823 5.165,824 1.758,825 6.899,826 4.57,827 6.337,828 1.602,829 7.637,830 4.922,831 4.29,832 5.027,833 0.766,834 7.872,835 4.137,836 7.655,837 1.431,838 9.321,839 4.496,840 6.286,841 7.387,842 1.696,843 10.995,844 6.126,845 9.008,846 1.275,847 11.065,848 3.489,849 6.735,850 8.087,851 0.931,852 12.796,853 6.515,854 10.395,855 1,856 12.846,857 3.227,858 8.206,859 9.937,860 1.83,861 15.449,862 7.975,863 11.805,864 0.868,865 14.653,866 2.275,867 9.029,868 11.04,869 1.142,870 17.593,871 8.753,872 13.234,873 0.731,874 16.48,875 2.051,876 10.297,877 12.681,878 2.038,879 20.085,880 10.003,881 3.218,882 0.309,883 18.322,884 1.761,885 11.296,886 13.982,887 1.436,888 22.375,889 10.966,890 3.139,891 11.215,892 20.175,893 0.714,894 12.484,895 15.532,896 2.286,897 24.809,898 12.132,899 2.705,900 10.856,901 22.038,902 4.474,903 13.564,904 16.927,905 1.783,906 27.161,907 13.181,908 2.629,909 8.747,910 23.908,911 4.225,912 14.724,913 18.437,914 2.561,915 29.575,916 14.316,917 2.365,918 8,919 25.785,920 3.276,921 15.842,922 19.878,923 2.156,924 31.955,925 15.404,926 2.042,927 6.884,928 27.666,929 3.249,930 16.994,931 21.372,932 2.856,933 34.361,934 16.529,935 1.978,936 6.11,937 29.552,938 2.735,939 18.13,940 22.834,941 2.541,942 36.754,943 17.637,944 14588,945 23064,946 24.274,947 40.472,948 55.026,949 56.184,950 56.328,951 54.447,952 54.221,953 69.257,954 6.186,955 160.96,956 51.853,957 5.551,958 5.678,959 6.341,960 5.256,961 5.218,962 7.474,963 2.293,964 18.696,965 5.118,966 15.397,967 1.528,968 1.561,969 1.565,970 1.512,971 1.506,972 1.924,973 0.172,974 4.471,975 1.44,976 4.099,977 4.133,978 4.086,979 4.02,980 7.429,981 4.025,982 4.018,983 4.042,984 4.036,985 3.954,986 4.986,987 3.955,988 3.792,989 3.863,990 3.685,991 3.603,992 4.919,993 3.613,994 3.566,995 3.609,996 3.653,997 3.432,998 4.459,999 3.435,1000 3.507,1001 3.553,1002 3.416,1003 3.4,1004 4.438,1005 3.396,1006 3.33,1007 3.395,1008 3.218,1009 3.194,1010 4.286,1011 3.182,1012 3.189,1013 3.281,1014 3.126,1015 2.988,1016 4.032,1017 2.983,1018 3.111,1019 3.206,1020 3.008,1021 2.941,1022 3.975,1023 2.923,1024 0.126,1025 0.102,1026 0.189,1027 0.116,1028 0.089,1029 4.551,1030 0.124,1031 3.678,1032 0.033,1033 6.821,1034 0.312,1035 4.188,1036 0.087,1037 3.218,1038 4.474,1039 1.2,1040 11.215,1041 3.118,1042 2.048,1043 2.022,1044 2.128,1045 2.147,1046 1.364,1047 2.144,1048 1.985,1049 1.965,1050 2.061,1051 2.076,1052 1.268,1053 2.076,1054 1.749,1055 1.68,1056 1.945,1057 1.96,1058 1.171,1059 1.96,1060 1.535,1061 1.49,1062 1.741,1063 1.706,1064 0.934,1065 1.717,1066 1.493,1067 1.453,1068 1.694,1069 1.645,1070 0.825,1071 1.667,1072 1.337,1073 1.276,1074 1.566,1075 1.507,1076 0.805,1077 1.533,1078 1.191,1079 1.097,1080 1.53,1081 1.433,1082 0.668,1083 1.471,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.572,1089 1.429,1090 4.29,1092 5.638,1094 7.195,1096 8.848,1098 10.55,1099 3.846,1100 6.563,1104 5.82,1108 6.659,1112 37.949,1113 88.483,1114 208.227,1115 274.695,1116 311.566,1117 313.566,1118 313.566,1119 46.485,1120 8.46,1121 41.37,1122 41.37,1123 30,1124 12.842,1125 4.322,1126 3.524,1127 46.024,1128 153,1129 136,1130 0.147,1131 233.437,1132 405.46,1133 561.346,1134 67085,1135 1.7,1136 22.242,1137 0.695,1138 0.602,1139 22.742,1140 19.27,1141 15.508,1142 0.431,1143 0.319,1144 11.03,1145 14.774,1146 10.671,1147 8.787,1148 15.797,1149 11.497,1150 14.255,1151 0.274,1152 0.173,1153 14.626,1154 8.972,1155 12.685,1156 0.176,1157 0.097,1158 13.044,1159 6.955,1160 10.509,1161 0.111,1162 0.053,1163 10.799,1164 5.001,1165 8.936,1166 0.071,1167 0.029,1168 9.2,1169 3.632,1170 0.237,1171 99.019,1172 0.203,1173 30.125,1174 0.389,1175 176,1176 440.519,1177 202.698,1178 463.764,1179 639.54,1180 436,1181 212,1182 459.415,1183 236.084,1184 478.516,1185 706.11,1186 452,1187 5.3}
{0 CHEMBL1289276,1 1.482,2 13.333,3 4.643,4 21.559,5 132.087,6 7.171,7 0.459,8 4.217,9 4.343,10 3.765,11 3.777,12 5.258,13 3.746,14 4.791,15 4.987,16 4.156,17 4.191,18 5.794,19 4.148,20 5.052,21 5.256,22 4.268,23 4.406,24 6.046,25 4.335,26 5.184,27 5.403,28 4.204,29 4.472,30 6.133,31 4.346,32 5.268,33 5.536,34 4.124,35 4.429,36 6.102,37 4.281,38 5.197,39 5.471,40 4.034,41 4.295,42 6.102,43 4.166,44 5.062,45 5.317,46 3.853,47 4.194,48 5.998,49 4.05,50 5.019,51 5.309,52 3.68,53 4.093,54 5.781,55 3.916,56 0.018,57 0.982,58 13.107,59 5.774,60 6.642,61 7.789,62 0.237,63 1.643,64 25.75,65 9.321,66 23.652,67 13.167,68 0.327,69 2.08,70 34.069,71 12.69,72 36.632,73 17.405,74 0.386,75 2.243,76 39.285,77 15.942,78 51.65,79 22.15,80 0.275,81 2.32,82 44.818,83 17.14,84 46.907,85 24.449,86 0.487,87 2.273,88 43.232,89 14.809,90 64.32,91 20.625,92 0.527,93 2.001,94 37.359,95 13.212,96 70.376,97 17.995,98 0.386,99 1.649,100 36.109,101 12.775,102 50.279,103 18.701,104 26,105 54,106 0.237,107 0.561,108 0.753,109 0.853,110 0.853,111 0.853,112 3.532,113 0.935,114 -4.85,115 -4.76,116 -4.47,117 43.5,118 2,119 1,122 1,123 5,128 2,129 6,130 4,131 3,133 2,140 1,149 10,150 1,151 11,155 15,157 1,158 7,163 13,165 1,166 9,172 10,175 9,178 2,180 1,181 7,186 1,188 1,189 5,192 2,194 1,195 3,200 3,202 1,203 4,208 7,210 1756,211 22.17,212 22.17,213 22.17,214 22.17,215 22.17,216 19.843,217 28.541,218 12.671,219 22.599,220 18.215,221 18.215,222 18.215,223 18.215,224 18.215,225 14.523,226 37.726,227 5.999,228 18.9,229 4.472,230 2.441,231 1.242,232 0.617,233 0.617,234 0.617,235 4.239,239 973,240 2.915,243 443.399,245 298.082,246 1.919,247 27.835,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 70.5,258 440,259 4.581,260 3.675,261 6.821,262 4.2,263 3.218,264 4.509,265 1.2,266 11.215,267 3.162,268 4.549,269 3.329,270 6.715,271 4.136,272 3.169,273 4.225,274 0.8,275 10.948,276 3.068,277 3.962,278 3.197,279 6.151,280 3.678,281 2.706,282 3.282,283 0.8,284 8.747,285 2.632,286 3.859,287 2.918,288 5.817,289 3.574,290 2.632,291 3.276,292 0.293,293 8.042,294 2.467,295 3.619,296 2.705,297 5.344,298 3.316,299 2.376,300 2.953,302 6.892,303 2.232,304 3.462,305 2.646,306 5.295,307 3.137,308 2.205,309 2.647,311 6.112,312 2.047,313 3.373,314 2.532,315 5.027,316 2.991,317 1.981,318 2.618,320 6.046,321 1.992,322 3.29,323 2.204,324 4.954,325 2.912,326 1.952,327 2.483,328 5.638,329 1.861,330 3.214,331 1.996,332 4.742,333 2.811,334 1.818,335 2.407,336 4.922,337 1.8,338 2.883,339 1.651,340 4.555,341 2.517,342 1.555,343 1.969,344 4.482,345 1.492,346 2.657,347 1.534,348 4.014,349 2.265,350 1.288,351 1.604,352 3.258,353 1.255,354 2.334,355 1.164,356 3.726,357 1.967,358 1,359 1.28,360 2.503,361 0.965,362 2,363 1.146,364 3.414,365 1.94,366 0.971,367 1,368 2.275,369 0.937,370 1.955,371 1.089,372 3.359,373 1.728,374 0.748,375 0.857,376 1.8,377 0.731,378 1.835,379 0.776,380 2.948,381 1.326,382 0.309,383 0.416,384 0.715,385 0.311,386 15.719,387 0.476,388 0.942,389 0.029,390 41.75,391 1.265,392 20,393 0.606,394 21.75,395 0.659,396 31.608,397 0.958,398 35.281,399 0.569,400 32.307,401 0.979,402 8.236,403 0.25,404 7.666,405 0.232,406 0.135,408 0.394,411 1,412 0.625,413 1.275,414 0.782,415 1.119,416 0.518,417 1,418 0.83,419 0.982,420 0.813,421 0.83,422 0.488,423 0.805,424 1.05,425 0.969,426 1.041,427 0.962,428 0.846,429 0.981,430 0.64,431 1.017,432 1.068,433 1.222,434 0.732,435 1.221,436 0.638,437 1.051,438 0.91,439 1.091,440 0.594,441 1.053,442 1.241,443 1.061,444 1.06,445 0.961,446 1.144,447 0.973,448 1.379,449 1.092,450 1.284,451 1.121,452 1.448,453 1.177,454 0.701,455 0.818,456 0.964,457 0.949,458 0.7,459 0.989,460 7,461 0.174,462 4.667,463 2.563,464 2.569,465 1.396,466 0.807,467 0.45,468 0.295,469 0.229,470 16843,471 41189,472 2.112,473 46.8,474 3,475 21,479 3,480 2,482 1.748,483 1.96,484 3.627,485 -0.811,488 91.897,489 1.482,490 3.513,491 4.712,492 5.337,493 5.337,494 5.337,495 2.997,496 4.779,497 5.021,498 3.837,499 2025.84,500 8.767,501 30841.1,503 1,506 369.16,507 1.459,508 4.969,509 0.189,510 0.006,511 0.086,512 0.043,513 0.049,514 0.03,515 0.019,516 0.013,517 0.01,518 0.009,519 0.456,520 0.33,521 0.88,522 0.565,523 176.428,524 0.009,525 -0.2,526 0.071,527 -0.073,528 -0.02,529 -0.01,530 -0.01,531 0.052,532 0.116,533 0.139,534 0.082,535 0.149,536 -0.121,537 0.081,538 -0.098,539 0.02,540 -0.036,541 -0.02,542 0.085,543 -0.097,544 -0.143,545 -0.206,546 0.015,547 -0.215,548 0.044,549 -0.172,550 0.05,551 -0.098,552 0.034,553 -0.039,554 -0.087,556 -0.033,558 -0.059,559 -0.004,560 -0.118,561 0.025,562 -0.264,563 -0.14,564 -0.17,565 -0.209,566 0.014,567 -0.042,568 0.017,569 0.009,570 -0.021,571 0.009,572 1.904,573 6.289,574 0.788,575 32.132,576 0.996,577 1.128,578 3.62,579 13.105,580 0.666,581 3.638,582 4.007,583 4.317,584 4.605,585 4.898,586 4.99,587 5.075,588 5.182,589 5.257,590 5.293,591 7.802,592 0.63,593 444.6,594 3.638,595 5.209,596 6.084,597 6.984,598 7.874,599 8.777,600 9.672,601 10.575,602 11.472,603 12.376,604 6.5,605 1,608 1,609 1,612 1,613 2,614 6,615 1,618 7,620 17,625 1,627 1,628 62,629 19,630 2,631 37,632 66,633 27,634 15,635 8,636 4,637 3,638 5,639 7,642 2,647 1,649 18,650 9,653 2,654 1,655 2,656 1,659 1,660 29,661 6,663 6,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 3,690 1,691 33,694 6,698 3,703 1,704 1.6,706 1,709 16.833,710 12.276,711 7.056,712 3.882,713 3.936,714 1.461,715 1.015,716 5.839,717 12.465,718 3.882,719 4.511,720 5.125,721 5.724,722 6.324,723 6.627,724 6.922,725 7.232,726 7.476,727 7.386,728 0.889,729 59,730 12.273,731 5.3,732 7.672,733 23.853,734 20.196,735 2.172,736 71.667,739 341.362,740 151.29,741 26.158,743 25.145,744 14.96,745 151.29,746 366.507,747 41.119,748 26.047,749 16.187,750 75.81,751 46.635,752 37.914,753 14.96,754 341.362,756 341.362,757 177.448,758 40.105,760 332.78,761 48.687,764 41.863,765 99.847,766 35.738,767 356.322,768 51.303,769 151.29,770 341.362,771 49.433,772 111.23,774 56.891,775 341.362,776 66.264,777 151.29,778 0.596,779 0.356,780 0.193,781 0.113,782 28,783 13,784 0.061,785 4,786 2,787 1.154,788 4.364,789 316.609,790 0.154,791 26,792 162.465,793 21.912,794 8.794,795 4.225,796 1.723,797 66.264,798 11.342,799 4.516,802 6.297,805 558.915,806 47.5,807 12.024,808 3.618,809 0.017,810 61.734,811 69.94,812 0.249,813 0.59,814 0.791,815 0.896,816 0.896,817 0.896,818 5.155,819 1.952,820 6.094,821 6.046,822 4.691,823 5.198,824 1.758,825 6.944,826 4.623,827 6.376,828 1.818,829 7.681,830 5.638,831 4.369,832 5.112,833 0.766,834 7.912,835 4.254,836 7.699,837 1.555,838 9.366,839 4.922,840 6.33,841 7.431,842 1.696,843 11.035,844 6.197,845 9.056,846 1.288,847 11.107,848 4.482,849 6.792,850 8.152,851 0.931,852 12.822,853 6.624,854 10.444,855 1,856 12.885,857 3.258,858 8.249,859 9.984,860 1.83,861 15.482,862 8.062,863 11.855,864 0.971,865 14.689,866 2.503,867 9.077,868 11.097,869 1.142,870 17.62,871 8.863,872 13.285,873 0.748,874 16.512,875 2.275,876 10.339,877 12.731,878 2.038,879 20.118,880 10.106,881 3.218,882 0.309,883 18.351,884 1.8,885 11.341,886 14.039,887 1.436,888 22.407,889 11.086,890 3.169,891 11.215,892 20.202,893 0.715,894 12.528,895 15.588,896 2.286,897 24.845,898 12.254,899 2.706,900 10.948,901 22.062,902 4.509,903 13.612,904 16.991,905 1.783,906 27.199,907 13.318,908 2.632,909 8.747,910 23.931,911 4.225,912 14.773,913 18.504,914 2.561,915 29.616,916 14.459,917 2.376,918 8.042,919 25.807,920 3.282,921 15.894,922 19.952,923 2.156,924 31.999,925 15.561,926 2.205,927 6.892,928 27.688,929 3.276,930 17.048,931 21.45,932 2.856,933 34.408,934 16.695,935 1.981,936 6.112,937 29.574,938 2.953,939 18.188,940 22.92,941 2.541,942 36.803,943 17.815,944 15626,945 24583,946 24.679,947 41.313,948 56.632,949 57.563,950 58.199,951 55.971,952 55.852,953 71.052,954 6.186,955 167.192,956 53.904,957 5.581,958 5.675,959 6.235,960 5.267,961 5.218,962 7.509,963 2.293,964 18.696,965 5.162,966 17.521,967 1.531,968 1.556,969 1.573,970 1.513,971 1.51,972 1.92,973 0.167,974 4.519,975 1.457,976 4.105,977 4.138,978 4.068,979 4.021,980 8.201,981 4.029,982 4.027,983 4.053,984 3.986,985 3.961,986 7.429,987 3.963,988 3.793,989 3.863,990 3.685,991 3.603,992 4.949,993 3.613,994 3.592,995 3.636,996 3.514,997 3.448,998 4.747,999 3.456,1000 3.526,1001 3.574,1002 3.446,1003 3.408,1004 4.402,1005 3.408,1006 3.343,1007 3.415,1008 3.202,1009 3.197,1010 4.212,1011 3.186,1012 3.194,1013 3.283,1014 3.036,1015 3.002,1016 4.186,1017 2.996,1018 3.111,1019 3.206,1020 2.939,1021 2.944,1022 3.992,1023 2.932,1024 0.124,1025 0.099,1026 0.184,1027 0.114,1028 0.087,1029 4.581,1030 0.122,1031 3.675,1032 0.032,1033 6.821,1034 0.303,1035 4.2,1036 0.085,1037 3.218,1038 4.509,1039 1.2,1040 11.215,1041 3.162,1042 2.044,1043 2.019,1044 2.118,1045 2.148,1046 1.371,1047 2.141,1048 2.004,1049 1.981,1050 2.094,1051 2.093,1052 1.286,1053 2.094,1054 1.75,1055 1.68,1056 1.947,1057 1.96,1058 1.175,1059 1.961,1060 1.555,1061 1.512,1062 1.748,1063 1.739,1064 0.935,1065 1.744,1066 1.508,1067 1.463,1068 1.708,1069 1.663,1070 0.825,1071 1.678,1072 1.351,1073 1.283,1074 1.631,1075 1.542,1076 0.798,1077 1.574,1078 1.198,1079 1.109,1080 1.535,1081 1.433,1082 0.781,1083 1.471,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.595,1089 1.429,1090 4.317,1092 5.673,1094 7.232,1096 8.887,1098 10.592,1099 5.901,1101 14.289,1104 5.471,1108 6.467,1112 39.032,1113 91.897,1114 217.802,1115 292.166,1116 330.896,1117 330.896,1118 330.896,1119 54.879,1120 8.53,1121 41.37,1122 41.37,1123 30,1124 12.896,1125 4.322,1126 3.524,1127 48.127,1128 160,1129 135,1130 0.148,1131 235.894,1132 413.62,1133 567.342,1134 72380,1135 1.6,1136 23.112,1137 0.7,1138 0.589,1139 22.242,1140 19.437,1141 15.902,1142 0.43,1143 0.312,1144 11.385,1145 15.342,1146 11.009,1147 9.091,1148 15.508,1149 11.53,1150 14.901,1151 0.276,1152 0.168,1153 14.255,1154 9.047,1155 12.953,1156 0.175,1157 0.094,1158 12.685,1159 6.933,1160 10.827,1161 0.109,1162 0.05,1163 10.509,1164 4.985,1165 9.275,1166 0.07,1167 0.027,1168 8.936,1169 3.632,1170 0.237,1171 99.072,1172 0.201,1173 30.827,1174 0.392,1175 182,1176 508.427,1177 197.01,1178 472.603,1179 652.01,1180 444,1181 219,1182 485.885,1183 234.284,1184 490.183,1185 721.55,1186 462,1187 5.6}
{0 CHEMBL1289277,1 1.367,2 13.182,3 4.815,4 23.186,5 136.288,6 6.779,7 0.459,8 4.252,9 4.383,10 3.758,11 3.818,12 5.239,13 3.772,14 4.829,15 5.031,16 4.145,17 4.235,18 5.744,19 4.174,20 5.096,21 5.307,22 4.274,23 4.461,24 6.007,25 4.374,26 5.254,27 5.48,28 4.188,29 4.547,30 6.097,31 4.404,32 5.354,33 5.631,34 4.09,35 4.522,36 6.082,37 4.344,38 5.276,39 5.566,40 4.014,41 4.409,42 5.995,43 4.242,44 5.14,45 5.396,46 3.958,47 4.347,48 5.933,49 4.187,50 5.175,51 5.456,52 3.792,53 4.281,54 5.935,55 4.089,56 0.055,57 0.95,58 14.656,59 6.087,60 9.554,61 8.606,62 0.258,63 1.613,64 27.72,65 9.854,66 23.377,67 14.537,68 0.323,69 2.054,70 36.482,71 13.256,72 33.931,73 19.242,74 0.312,75 2.268,76 42.793,77 17.114,78 41.835,79 24.361,80 0.298,81 2.386,82 48.322,83 18.929,84 42.726,85 27.661,86 0.384,87 2.215,88 45.391,89 16.493,90 41.103,91 24.475,92 0.297,93 1.98,94 38.819,95 14.832,96 37.93,97 21.547,98 0.392,99 1.964,100 41.067,101 15.073,102 48.829,103 22.118,104 26,105 54,106 0.217,107 0.544,108 0.772,109 0.878,110 0.883,111 0.883,112 3.532,113 0.961,114 -4.68,115 -4.6,116 -4.32,117 43.1,118 3,119 1,122 1,123 4,124 1,128 2,129 7,130 4,131 2,133 2,140 1,149 12,150 1,151 12,155 15,157 1,158 10,163 14,165 1,166 9,172 12,175 9,178 7,180 1,181 8,186 5,188 1,189 6,192 7,194 1,195 4,200 6,202 1,203 4,208 9,210 1793,211 22.223,212 22.223,213 22.223,214 22.223,215 22.223,216 19.92,217 28.494,218 12.676,219 22.582,220 18.193,221 18.193,222 18.193,223 18.193,224 18.193,225 14.582,226 39.313,227 5.951,228 18.762,229 4.655,230 2.588,231 1.149,232 0.477,233 0.446,234 0.446,235 4.239,239 963,240 2.915,243 443.539,245 297.003,246 1.983,247 18.879,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 69,258 435,259 4.553,260 3.675,261 6.821,262 4.2,263 3.219,264 4.474,265 1.2,266 11.215,267 3.162,268 4.549,269 3.32,270 6.701,271 4.119,272 3.152,273 4.225,274 0.8,275 10.882,276 3.052,277 3.969,278 3.197,279 6.156,280 3.771,281 2.827,282 3.277,283 0.8,284 8.833,285 2.669,286 3.917,287 3.019,288 6.068,289 3.657,290 2.678,291 3.256,292 0.293,293 8.68,294 2.606,295 3.693,296 2.675,297 5.729,298 3.389,299 2.446,300 2.838,302 7.692,303 2.306,304 3.38,305 2.543,306 5.314,307 3.013,308 2.046,309 2.645,311 6.117,312 2,313 3.361,314 2.256,315 4.972,316 2.989,317 1.98,318 2.613,320 5.754,321 1.966,322 3.219,323 2.003,324 4.743,325 2.82,326 1.825,327 2.427,328 4.929,329 1.811,330 3.031,331 1.712,332 4.583,333 2.582,334 1.607,335 2.255,336 4.555,337 1.565,338 2.789,339 1.616,340 4.235,341 2.492,342 1.516,343 1.853,344 3.877,345 1.476,346 2.67,347 1.498,348 4.02,349 2.382,350 1.404,351 1.633,352 3.416,353 1.369,354 2.471,355 1.463,356 3.987,357 2.231,358 1.256,359 1.454,360 3.191,361 1.221,362 2.25,363 1.156,364 3.398,365 1.855,366 0.876,367 1.162,368 2.065,369 0.856,370 1.957,371 0.909,372 3.347,373 1.72,374 0.74,375 0.866,376 1.792,377 0.723,378 1.847,379 0.779,380 2.977,381 1.357,382 0.348,383 0.449,384 0.815,385 0.348,386 15.933,387 0.483,388 0.925,389 0.028,390 41.5,391 1.258,392 20,393 0.606,394 21.5,395 0.652,396 33.131,397 1.004,398 35.067,399 0.539,400 31.222,401 0.946,402 8.012,403 0.243,404 7.907,405 0.24,406 0.146,408 0.389,412 0.754,413 1.412,414 0.858,415 1.133,416 0.611,417 1.023,418 1.038,419 1.058,420 0.858,421 0.843,422 0.53,423 0.823,424 1.234,425 1.006,426 1.057,427 0.957,428 0.827,429 0.975,430 0.979,431 1.155,432 1.173,433 1.212,434 1.024,435 1.215,436 0.647,437 1.068,438 0.971,439 1.082,440 0.58,441 1.06,442 0.866,443 0.896,444 0.948,445 0.909,446 0.658,447 0.926,448 0.907,449 1.115,450 1.106,451 1.146,452 0.853,453 1.144,454 1.047,455 1.045,456 1.121,457 1.075,458 1.152,459 1.103,460 6.5,461 0.174,462 5.111,463 2.688,464 2.409,465 1.257,466 0.972,467 0.488,468 0.373,469 0.265,470 16555,471 35795,472 2.112,473 49.2,474 3,475 21,479 3,480 5,482 1.749,483 1.96,484 3.626,485 -0.841,488 88.848,489 1.367,490 3.434,491 4.874,492 5.545,493 5.576,494 5.576,495 3.024,496 4.863,497 5.02,498 3.824,499 2019.25,500 8.772,501 30297.7,506 391.454,507 1.459,508 4.969,509 0.176,510 0.006,511 0.095,512 0.045,513 0.046,514 0.027,515 0.023,516 0.012,517 0.012,518 0.009,519 0.451,520 0.33,521 0.88,522 0.565,523 175.794,524 0.05,525 -0.232,526 0.081,527 -0.07,528 -0.027,529 -0.007,530 0.039,531 0.082,532 0.129,533 0.138,534 0.106,535 0.143,536 -0.123,537 0.106,538 -0.07,539 0.025,540 0.014,541 -0.007,542 -0.083,543 -0.142,544 -0.21,545 -0.195,546 -0.08,547 -0.214,548 0.03,549 -0.128,550 -0.008,551 -0.084,552 0.014,553 -0.056,554 -0.006,555 0.066,556 0.039,557 0.052,558 -0.01,559 0.052,560 -0.031,561 -0.127,562 -0.133,563 -0.156,564 -0.048,565 -0.155,566 -0.042,567 -0.1,568 -0.131,569 -0.106,570 -0.121,571 -0.126,572 1.624,573 5.07,574 0.788,575 32.444,576 0.986,577 1.123,578 3.451,579 11.908,580 0.664,581 3.638,582 4.007,583 4.331,584 4.605,585 4.883,586 4.977,587 5.094,588 5.176,589 5.298,590 5.333,591 7.646,592 0.618,593 440.64,594 3.638,595 5.209,596 6.089,597 6.987,598 7.88,599 8.782,600 9.678,601 10.58,602 11.479,603 12.38,604 6.2,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,628 65,629 19,630 2,631 37,632 69,633 28,634 15,635 7,636 5,637 3,638 5,639 7,642 3,644 1,647 2,649 18,650 10,653 2,654 1,655 2,656 1,660 32,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 4,691 33,694 5,697 1,698 3,704 1.5,706 1,709 16.833,710 13.05,711 7.083,712 4.118,713 3.9,714 1.459,715 1.003,716 5.881,717 12.396,718 3.882,719 4.5,720 5.116,721 5.697,722 6.28,723 6.562,724 6.886,725 7.171,726 7.467,727 7.372,728 0.889,729 60,730 12.236,731 5.205,732 7.495,733 24.189,734 20.515,735 1.995,736 65.833,739 376.675,740 158.364,741 26.158,743 25.145,745 158.364,746 401.82,747 26.158,748 34.872,749 14.082,750 85.286,751 46.635,752 28.793,754 376.675,756 376.675,757 184.523,758 25.145,760 317.82,761 84,764 48.582,765 100.202,766 35.738,767 376.675,768 51.303,769 158.364,770 376.675,771 38.206,772 129.531,774 41.93,775 376.675,776 51.303,777 158.364,778 0.596,779 0.362,780 0.194,781 0.109,782 28,783 13,784 0.058,785 4,786 2,787 1.154,788 4.342,789 318.517,790 0.154,791 26,792 164.465,793 21.973,794 8.832,795 4.13,796 2.309,797 51.303,798 14.984,799 4.714,802 7.209,805 586.343,806 47.5,807 12.07,808 3.685,809 0.042,810 64.105,811 73.015,812 0.227,813 0.57,814 0.809,815 0.921,816 0.926,817 0.926,818 5.155,819 1.825,820 6.098,821 5.754,822 4.691,823 5.187,824 1.758,825 6.956,826 4.632,827 6.371,828 1.607,829 7.692,830 4.929,831 4.369,832 5.066,833 0.766,834 7.945,835 4.271,836 7.691,837 1.516,838 9.385,839 4.555,840 6.337,841 7.405,842 1.696,843 11.067,844 6.214,845 9.046,846 1.404,847 11.135,848 3.877,849 6.815,850 8.108,851 0.931,852 12.867,853 6.654,854 10.433,855 1.256,856 12.921,857 3.416,858 8.271,859 9.949,860 1.83,861 15.519,862 8.087,863 11.843,864 0.876,865 14.732,866 3.191,867 9.112,868 11.052,869 1.142,870 17.655,871 8.897,872 13.271,873 0.74,874 16.56,875 2.065,876 10.371,877 12.688,878 2.038,879 20.143,880 10.135,881 3.219,882 0.348,883 18.402,884 1.792,885 11.378,886 13.988,887 1.436,888 22.425,889 11.116,890 3.152,891 11.215,892 20.255,893 0.815,894 12.562,895 15.536,896 2.286,897 24.855,898 12.278,899 2.827,900 10.882,901 22.116,902 4.474,903 13.645,904 16.93,905 1.783,906 27.201,907 13.338,908 2.678,909 8.833,910 23.984,911 4.225,912 14.802,913 18.439,914 2.561,915 29.611,916 14.474,917 2.446,918 8.68,919 25.858,920 3.277,921 15.92,922 19.879,923 2.156,924 31.987,925 15.571,926 2.046,927 7.692,928 27.737,929 3.256,930 17.069,931 21.373,932 2.856,933 34.391,934 16.7,935 1.98,936 6.117,937 29.619,938 2.838,939 18.204,940 22.835,941 2.541,942 36.781,943 17.815,944 15355,945 22709,946 24.679,947 43.137,948 56.801,949 57.535,950 58.535,951 56.021,952 55.936,953 70.972,954 6.186,955 167.85,956 54.355,957 5.553,958 5.675,959 6.34,960 5.268,961 5.219,962 7.474,963 2.293,964 18.696,965 5.162,966 17.297,967 1.535,968 1.555,969 1.582,970 1.514,971 1.512,972 1.918,973 0.167,974 4.536,975 1.469,976 4.104,977 4.138,978 4.06,979 4.023,980 7.429,981 4.028,982 4.027,983 4.053,984 3.985,985 3.961,986 4.984,987 3.963,988 3.82,989 3.887,990 3.717,991 3.645,992 4.747,993 3.653,994 3.593,995 3.637,996 3.514,997 3.448,998 4.45,999 3.456,1000 3.518,1001 3.57,1002 3.416,1003 3.416,1004 4.313,1005 3.409,1006 3.345,1007 3.417,1008 3.191,1009 3.205,1010 4.203,1011 3.191,1012 3.271,1013 3.36,1014 3.064,1015 3.103,1016 4.004,1017 3.08,1018 3.193,1019 3.282,1020 3.014,1021 3.002,1022 3.959,1023 2.993,1024 0.123,1025 0.099,1026 0.184,1027 0.114,1028 0.087,1029 4.553,1030 0.121,1031 3.675,1032 0.032,1033 6.821,1034 0.303,1035 4.2,1036 0.085,1037 3.219,1038 4.474,1039 1.2,1040 11.215,1041 3.162,1042 2.049,1043 2.022,1044 2.131,1045 2.149,1046 1.387,1047 2.147,1048 2.004,1049 1.981,1050 2.096,1051 2.093,1052 1.291,1053 2.095,1054 1.782,1055 1.717,1056 1.974,1057 1.979,1058 1.192,1059 1.982,1060 1.556,1061 1.514,1062 1.751,1063 1.74,1064 0.941,1065 1.745,1066 1.522,1067 1.475,1068 1.733,1069 1.666,1070 0.899,1071 1.691,1072 1.362,1073 1.293,1074 1.663,1075 1.552,1076 0.808,1077 1.593,1078 1.299,1079 1.215,1080 1.619,1081 1.515,1082 0.784,1083 1.556,1084 1.199,1085 1.11,1086 1.535,1087 1.433,1088 0.595,1089 1.471,1090 4.317,1092 5.673,1094 7.236,1096 8.895,1098 10.603,1099 8.413,1104 5.076,1107 0.465,1108 6.865,1112 40.176,1113 88.848,1114 223.231,1115 316.783,1116 360.434,1117 362.434,1118 362.434,1119 47.482,1120 8.496,1121 41.37,1122 41.37,1123 30,1124 12.902,1125 4.322,1126 3.524,1127 48.062,1128 155,1129 143,1130 0.152,1131 244.288,1132 424.85,1133 587.824,1134 68930,1136 23.112,1137 0.7,1138 0.606,1139 23.112,1140 20.006,1141 15.919,1142 0.43,1143 0.32,1144 11.74,1145 15.48,1146 11.284,1147 9.374,1148 15.919,1149 11.858,1150 14.785,1151 0.274,1152 0.174,1153 14.785,1154 9.402,1155 13.144,1156 0.175,1157 0.097,1158 13.144,1159 7.256,1160 10.9,1161 0.11,1162 0.053,1163 10.9,1164 5.275,1165 9.161,1166 0.07,1167 0.029,1168 9.161,1169 3.767,1170 0.242,1171 98.27,1172 0.201,1173 30.741,1174 0.406,1175 182,1176 420.316,1177 193.512,1178 416.973,1179 591.14,1180 394,1181 220,1182 452.904,1183 232.707,1184 464.207,1185 683.6,1186 438,1187 5.1}
{0 CHEMBL1289394,1 1.482,2 13.212,3 4.535,4 20.562,5 131.464,6 7.171,7 0.459,8 4.217,9 4.343,10 3.765,11 3.777,12 5.26,13 3.746,14 4.792,15 4.985,16 4.159,17 4.191,18 5.796,19 4.148,20 5.072,21 5.282,22 4.272,23 4.407,24 6.057,25 4.335,26 5.202,27 5.426,28 4.206,29 4.475,30 6.143,31 4.348,32 5.282,33 5.553,34 4.121,35 4.442,36 6.109,37 4.292,38 5.207,39 5.48,40 4.049,41 4.321,42 6.114,43 4.187,44 5.08,45 5.336,46 3.933,47 4.225,48 6.029,49 4.093,50 5.012,51 5.28,52 3.77,53 4.153,54 5.847,55 3.994,56 0.018,57 0.982,58 13.107,59 5.774,60 7.17,61 7.789,62 0.227,63 1.648,64 25.675,65 9.321,66 24.568,67 13.168,68 0.351,69 2.113,70 35.04,71 12.684,72 39.003,73 17.542,74 0.418,75 2.274,76 40.274,77 15.95,78 54.381,79 22.288,80 0.297,81 2.34,82 45.588,83 17.427,84 48.418,85 24.854,86 0.443,87 2.282,88 43.465,89 15.571,90 69.472,91 21.561,92 0.526,93 2.055,94 38.038,95 13.486,96 72.384,97 18.399,98 0.391,99 1.784,100 35.15,101 12.609,102 51.643,103 17.982,104 26,105 54,106 0.237,107 0.574,108 0.792,109 0.889,110 0.889,111 0.889,112 3.532,113 0.936,114 -4.85,115 -4.76,116 -4.47,117 43.5,118 2,119 1,122 1,123 4,124 1,128 2,129 7,130 3,131 3,133 2,140 1,149 9,150 1,151 12,155 13,157 1,158 8,163 10,165 1,166 9,172 10,175 7,178 4,180 1,181 7,186 4,188 1,189 5,192 6,194 1,195 3,200 5,202 1,203 4,208 8,210 1771,211 22.17,212 22.17,213 22.17,214 22.17,215 22.17,216 19.896,217 29.264,218 12.691,219 22.592,220 18.226,221 18.226,222 18.226,223 18.226,224 18.226,225 14.614,226 40.653,227 6.003,228 18.91,229 4.472,230 2.365,231 0.999,232 0.391,233 0.391,234 0.391,235 4.239,239 965,240 2.915,243 444.395,245 297.649,246 2.011,247 28.253,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 70.5,258 436,259 4.583,260 3.671,261 6.743,262 4.15,263 3.182,264 4.51,265 1.2,266 10.972,267 3.098,268 4.489,269 3.354,270 6.72,271 4.142,272 3.168,273 4.12,274 0.8,275 10.929,276 3.073,277 3.931,278 3.11,279 6.081,280 3.772,281 2.832,282 3.287,283 0.8,284 8.795,285 2.659,286 3.836,287 3.022,288 5.93,289 3.534,290 2.551,291 3.116,292 0.293,293 8.101,294 2.501,295 3.72,296 2.729,297 5.737,298 3.389,299 2.442,300 2.972,302 7.721,303 2.309,304 3.538,305 2.667,306 5.051,307 3.15,308 2.215,309 2.78,311 6.056,312 2.061,313 3.315,314 2.414,315 5.028,316 2.922,317 1.956,318 2.577,320 5.662,321 1.901,322 3.288,323 2.2,324 4.963,325 2.888,326 1.887,327 2.516,328 5.55,329 1.854,330 2.989,331 1.719,332 4.583,333 2.588,334 1.605,335 2.13,336 4.554,337 1.577,338 2.876,339 1.614,340 4.361,341 2.495,342 1.527,343 1.969,344 4.075,345 1.472,346 2.65,347 1.575,348 4.172,349 2.429,350 1.457,351 1.62,352 3.72,353 1.412,354 2.473,355 1.427,356 3.724,357 2.193,358 1.212,359 1.456,360 2.763,361 1.186,362 2.319,363 1.106,364 3.652,365 1.937,366 0.969,367 1.265,368 2.497,369 0.934,370 1.847,371 0.949,372 3.282,373 1.646,374 0.672,375 0.753,376 1.639,377 0.653,378 1.818,379 0.78,380 2.876,381 1.28,382 0.26,383 0.361,384 0.584,385 0.262,386 15.719,387 0.476,388 0.942,389 0.029,390 41.75,391 1.265,392 20,393 0.606,394 21.75,395 0.659,396 31.768,397 0.963,398 35.281,399 0.569,400 32.405,401 0.982,402 8.159,403 0.247,404 7.743,405 0.235,406 0.135,408 0.394,411 1,412 0.625,413 1.275,414 0.782,415 1.119,416 0.523,417 1,418 0.822,419 1.028,420 0.823,421 0.87,422 0.49,423 0.835,424 1.075,425 0.962,426 1.041,427 0.94,428 0.833,429 0.963,430 0.674,431 0.988,432 1.071,433 1.184,434 0.723,435 1.194,436 0.641,437 1.003,438 0.911,439 1.06,440 0.586,441 1.034,442 1.134,443 1.075,444 1.011,445 0.991,446 1.121,447 0.984,448 1.333,449 1.072,450 1.186,451 1.042,452 1.4,453 1.085,454 0.912,455 0.972,456 1.127,457 1.057,458 0.856,459 1.109,460 7,461 0.157,462 4.667,463 2.563,464 2.489,465 1.313,466 0.87,467 0.531,468 0.377,469 0.245,470 16647,471 40889,472 2.112,473 46.8,475 21,479 3,480 5,482 1.749,483 1.96,484 3.626,485 -0.811,488 91.897,489 1.482,490 3.589,491 4.956,492 5.563,493 5.563,494 5.563,495 3.024,496 4.984,497 5.02,498 3.832,499 2023.44,500 8.77,501 30483.8,503 1,506 369.16,507 1.459,508 4.969,509 0.189,510 0.006,511 0.086,512 0.043,513 0.048,514 0.028,515 0.02,516 0.014,517 0.012,518 0.009,519 0.456,520 0.33,521 0.88,522 0.565,523 176,524 0.009,525 -0.2,526 0.071,527 -0.073,528 -0.023,529 -0.01,530 -0.003,531 0.008,532 0.105,533 0.1,534 0.081,535 0.119,536 -0.127,537 0.085,538 -0.09,539 0.031,540 -0.033,541 -0.008,542 0.07,543 -0.069,544 -0.14,545 -0.179,546 0.017,547 -0.194,548 0.036,549 -0.128,550 0.049,551 -0.067,552 0.037,553 -0.019,554 -0.046,555 -0.034,556 0.005,557 -0.011,558 -0.05,559 0.002,560 -0.091,561 0.036,562 -0.165,563 -0.06,564 -0.142,565 -0.114,566 -0.059,567 -0.037,568 -0.147,569 -0.087,570 -0.083,571 -0.122,572 1.906,573 6.349,574 0.788,575 32.828,576 0.996,577 1.128,578 3.62,579 13.105,580 0.666,581 3.638,582 4.007,583 4.317,584 4.605,585 4.89,586 4.977,587 5.081,588 5.204,589 5.308,590 5.323,591 7.702,592 0.63,593 444.6,594 3.638,595 5.209,596 6.084,597 6.984,598 7.874,599 8.775,600 9.669,601 10.571,602 11.468,603 12.37,604 6.5,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,627 1,628 62,629 19,630 2,631 37,632 66,633 27,634 15,635 7,636 5,637 3,638 5,639 7,642 2,644 1,647 2,649 18,650 9,653 2,654 1,655 2,656 1,659 1,660 29,661 6,663 6,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 3,690 1,691 33,694 5,697 1,698 3,703 1,704 1.6,706 1,709 16.833,710 12.193,711 7.056,712 3.897,713 3.898,714 1.459,715 1.008,716 5.839,717 12.4,718 3.882,719 4.5,720 5.107,721 5.703,722 6.293,723 6.589,724 6.893,725 7.229,726 7.493,727 7.415,728 0.889,729 59,730 12.274,731 5.313,732 7.677,733 23.835,734 20.236,735 2.177,736 71.833,739 341.362,740 155.475,741 26.158,743 25.145,744 14.96,745 155.475,746 366.507,747 41.119,748 26.047,749 14.082,750 85.286,751 46.635,752 34.728,753 14.96,754 341.362,756 341.362,757 181.633,758 40.105,760 297.467,761 84,764 39.757,765 106.138,766 35.738,767 356.322,768 51.303,769 155.475,770 341.362,771 44.142,772 120.706,774 56.891,775 341.362,776 66.264,777 155.475,778 0.596,779 0.357,780 0.194,781 0.112,782 28,783 13,784 0.061,785 4,786 2,787 1.154,788 4.352,789 317.742,790 0.154,791 26,792 166.465,793 21.912,794 8.794,795 4.225,796 1.717,797 66.264,798 13.389,799 4.527,802 4.954,805 563.1,806 47.5,807 11.982,808 3.589,809 0.014,810 61.734,811 69.94,812 0.249,813 0.603,814 0.832,815 0.934,816 0.934,817 0.934,818 5.155,819 1.887,820 6.094,821 5.662,822 4.691,823 5.187,824 1.758,825 6.944,826 4.621,827 6.371,828 1.605,829 7.681,830 5.55,831 4.369,832 5.066,833 0.766,834 7.906,835 4.246,836 7.689,837 1.527,838 9.366,839 4.554,840 6.33,841 7.399,842 1.696,843 11.027,844 6.188,845 9.04,846 1.457,847 11.107,848 4.075,849 6.792,850 8.088,851 0.931,852 12.799,853 6.603,854 10.423,855 1.212,856 12.883,857 3.72,858 8.249,859 9.932,860 1.83,861 15.45,862 8.04,863 11.828,864 0.969,865 14.685,866 2.763,867 9.075,868 11.022,869 1.142,870 17.567,871 8.827,872 13.251,873 0.672,874 16.505,875 2.497,876 10.335,877 12.663,878 2.038,879 20.052,880 10.064,881 3.182,882 0.26,883 18.339,884 1.639,885 11.332,886 13.957,887 1.436,888 22.32,889 11.028,890 3.168,891 10.972,892 20.184,893 0.584,894 12.514,895 15.509,896 2.286,897 24.743,898 12.187,899 2.832,900 10.929,901 22.039,902 4.51,903 13.591,904 16.904,905 1.783,906 27.079,907 13.233,908 2.551,909 8.795,910 23.9,911 4.12,912 14.745,913 18.418,914 2.561,915 29.48,916 14.363,917 2.442,918 8.101,919 25.768,920 3.287,921 15.858,922 19.862,923 2.156,924 31.845,925 15.448,926 2.215,927 7.721,928 27.641,929 3.116,930 17.004,931 21.361,932 2.856,933 34.239,934 16.569,935 1.956,936 6.056,937 29.519,938 2.972,939 18.135,940 22.829,941 2.541,942 36.619,943 17.672,944 15444,945 24348,946 24.679,947 41.313,948 56.83,949 57.558,950 58.324,951 56.022,952 55.872,953 70.866,954 6.186,955 167.241,956 53.905,957 5.583,958 5.671,959 6.272,960 5.218,961 5.182,962 7.51,963 2.293,964 18.322,965 5.098,966 17.388,967 1.536,968 1.556,969 1.576,970 1.514,971 1.51,972 1.915,973 0.167,974 4.52,975 1.457,976 4.105,977 4.138,978 4.069,979 4.02,980 8.201,981 4.028,982 4.016,983 4.043,984 3.971,985 3.945,986 7.429,987 3.947,988 3.821,989 3.886,990 3.718,991 3.645,992 4.949,993 3.653,994 3.564,995 3.611,996 3.484,997 3.427,998 4.756,999 3.431,1000 3.523,1001 3.568,1002 3.445,1003 3.397,1004 4.422,1005 3.402,1006 3.334,1007 3.4,1008 3.197,1009 3.199,1010 4.219,1011 3.186,1012 3.273,1013 3.362,1014 3.076,1015 3.103,1016 4.177,1017 3.081,1018 3.189,1019 3.281,1020 3.011,1021 2.985,1022 3.987,1023 2.981,1024 0.124,1025 0.099,1026 0.182,1027 0.112,1028 0.086,1029 4.583,1030 0.122,1031 3.671,1032 0.032,1033 6.743,1034 0.297,1035 4.15,1036 0.084,1037 3.182,1038 4.51,1039 1.2,1040 10.972,1041 3.098,1042 2.045,1043 2.02,1044 2.12,1045 2.15,1046 1.381,1047 2.143,1048 1.989,1049 1.965,1050 2.083,1051 2.084,1052 1.266,1053 2.085,1054 1.782,1055 1.717,1056 1.971,1057 1.978,1058 1.183,1059 1.98,1060 1.532,1061 1.487,1062 1.731,1063 1.714,1064 0.94,1065 1.72,1066 1.499,1067 1.457,1068 1.706,1069 1.659,1070 0.899,1071 1.674,1072 1.346,1073 1.283,1074 1.639,1075 1.529,1076 0.795,1077 1.572,1078 1.297,1079 1.214,1080 1.583,1081 1.508,1082 0.677,1083 1.537,1084 1.191,1085 1.096,1086 1.532,1087 1.433,1088 0.575,1089 1.471,1090 4.317,1092 5.673,1094 7.232,1096 8.887,1098 10.59,1099 5.992,1101 14.349,1104 4.479,1107 0.342,1108 6.498,1112 39.032,1113 91.897,1114 222.541,1115 307.244,1116 344.896,1117 344.896,1118 344.896,1119 55.808,1120 8.501,1121 41.37,1122 41.37,1123 30,1124 12.891,1125 4.322,1126 3.524,1127 48.079,1128 157,1129 134,1130 0.151,1131 235.894,1132 413.62,1133 567.342,1134 69286,1135 1.6,1136 23.112,1137 0.7,1138 0.587,1139 22.242,1140 19.384,1141 15.902,1142 0.43,1143 0.312,1144 11.398,1145 15.345,1146 11.03,1147 9.116,1148 15.508,1149 11.541,1150 14.903,1151 0.276,1152 0.169,1153 14.257,1154 9.106,1155 12.93,1156 0.175,1157 0.094,1158 12.663,1159 6.921,1160 10.892,1161 0.11,1162 0.051,1163 10.574,1164 5.044,1165 9.264,1166 0.07,1167 0.028,1168 8.923,1169 3.64,1170 0.24,1171 99.035,1172 0.201,1173 30.773,1174 0.402,1175 182,1176 506.427,1177 197.343,1178 470.623,1179 649.5,1180 442,1181 219,1182 485.237,1183 234.617,1184 488.737,1185 719.33,1186 461,1187 5}
{0 CHEMBL1289509,1 1.367,2 13.182,3 4.815,4 23.186,5 136.288,6 6.779,7 0.459,8 4.252,9 4.383,10 3.758,11 3.818,12 5.239,13 3.772,14 4.829,15 5.031,16 4.145,17 4.235,18 5.744,19 4.174,20 5.096,21 5.307,22 4.274,23 4.461,24 6.007,25 4.374,26 5.254,27 5.48,28 4.188,29 4.547,30 6.097,31 4.404,32 5.354,33 5.631,34 4.09,35 4.522,36 6.082,37 4.344,38 5.276,39 5.566,40 4.014,41 4.409,42 5.995,43 4.242,44 5.14,45 5.396,46 3.958,47 4.347,48 5.933,49 4.187,50 5.175,51 5.456,52 3.792,53 4.281,54 5.935,55 4.089,56 0.055,57 0.95,58 14.656,59 6.087,60 9.554,61 8.606,62 0.258,63 1.613,64 27.72,65 9.854,66 23.377,67 14.537,68 0.323,69 2.054,70 36.482,71 13.256,72 33.931,73 19.242,74 0.312,75 2.268,76 42.793,77 17.114,78 41.835,79 24.361,80 0.298,81 2.386,82 48.322,83 18.929,84 42.726,85 27.661,86 0.384,87 2.215,88 45.391,89 16.493,90 41.103,91 24.475,92 0.297,93 1.98,94 38.819,95 14.832,96 37.93,97 21.547,98 0.392,99 1.964,100 41.067,101 15.073,102 48.829,103 22.118,104 26,105 54,106 0.217,107 0.544,108 0.772,109 0.878,110 0.883,111 0.883,112 3.532,113 0.961,114 -4.68,115 -4.6,116 -4.32,117 43.1,118 3,119 1,122 1,123 4,124 1,128 2,129 7,130 4,131 2,133 2,140 1,149 12,150 1,151 12,155 15,157 1,158 10,163 14,165 1,166 9,172 12,175 9,178 7,180 1,181 8,186 5,188 1,189 6,192 7,194 1,195 4,200 6,202 1,203 4,208 9,210 1793,211 22.223,212 22.223,213 22.223,214 22.223,215 22.223,216 19.92,217 28.494,218 12.676,219 22.582,220 18.193,221 18.193,222 18.193,223 18.193,224 18.193,225 14.582,226 39.313,227 5.951,228 18.762,229 4.655,230 2.588,231 1.149,232 0.477,233 0.446,234 0.446,235 4.239,239 963,240 2.915,243 443.539,245 297.003,246 1.983,247 18.879,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 69,258 435,259 4.553,260 3.675,261 6.821,262 4.2,263 3.219,264 4.474,265 1.2,266 11.215,267 3.162,268 4.549,269 3.32,270 6.701,271 4.119,272 3.152,273 4.225,274 0.8,275 10.882,276 3.052,277 3.969,278 3.197,279 6.156,280 3.771,281 2.827,282 3.277,283 0.8,284 8.833,285 2.669,286 3.917,287 3.019,288 6.068,289 3.657,290 2.678,291 3.256,292 0.293,293 8.68,294 2.606,295 3.693,296 2.675,297 5.729,298 3.389,299 2.446,300 2.838,302 7.692,303 2.306,304 3.38,305 2.543,306 5.314,307 3.013,308 2.046,309 2.645,311 6.117,312 2,313 3.361,314 2.256,315 4.972,316 2.989,317 1.98,318 2.613,320 5.754,321 1.966,322 3.219,323 2.003,324 4.743,325 2.82,326 1.825,327 2.427,328 4.929,329 1.811,330 3.031,331 1.712,332 4.583,333 2.582,334 1.607,335 2.255,336 4.555,337 1.565,338 2.789,339 1.616,340 4.235,341 2.492,342 1.516,343 1.853,344 3.877,345 1.476,346 2.67,347 1.498,348 4.02,349 2.382,350 1.404,351 1.633,352 3.416,353 1.369,354 2.471,355 1.463,356 3.987,357 2.231,358 1.256,359 1.454,360 3.191,361 1.221,362 2.25,363 1.156,364 3.398,365 1.855,366 0.876,367 1.162,368 2.065,369 0.856,370 1.957,371 0.909,372 3.347,373 1.72,374 0.74,375 0.866,376 1.792,377 0.723,378 1.847,379 0.779,380 2.977,381 1.357,382 0.348,383 0.449,384 0.815,385 0.348,386 15.933,387 0.483,388 0.925,389 0.028,390 41.5,391 1.258,392 20,393 0.606,394 21.5,395 0.652,396 33.131,397 1.004,398 35.067,399 0.539,400 31.222,401 0.946,402 8.012,403 0.243,404 7.907,405 0.24,406 0.146,408 0.389,412 0.754,413 1.412,414 0.858,415 1.133,416 0.611,417 1.023,418 1.038,419 1.058,420 0.858,421 0.843,422 0.53,423 0.823,424 1.234,425 1.006,426 1.057,427 0.957,428 0.827,429 0.975,430 0.979,431 1.155,432 1.173,433 1.212,434 1.024,435 1.215,436 0.647,437 1.068,438 0.971,439 1.082,440 0.58,441 1.06,442 0.866,443 0.896,444 0.948,445 0.909,446 0.658,447 0.926,448 0.907,449 1.115,450 1.106,451 1.146,452 0.853,453 1.144,454 1.047,455 1.045,456 1.121,457 1.075,458 1.152,459 1.103,460 6.5,461 0.174,462 5.111,463 2.688,464 2.409,465 1.257,466 0.972,467 0.488,468 0.373,469 0.265,470 16555,471 35795,472 2.112,473 49.2,474 3,475 21,479 3,480 5,482 1.749,483 1.96,484 3.626,485 -0.841,488 88.848,489 1.367,490 3.434,491 4.874,492 5.545,493 5.576,494 5.576,495 3.024,496 4.863,497 5.02,498 3.824,499 2019.25,500 8.772,501 30297.7,506 391.454,507 1.459,508 4.969,509 0.176,510 0.006,511 0.095,512 0.045,513 0.046,514 0.027,515 0.023,516 0.012,517 0.012,518 0.009,519 0.451,520 0.33,521 0.88,522 0.565,523 175.794,524 0.05,525 -0.232,526 0.081,527 -0.07,528 -0.027,529 -0.007,530 0.039,531 0.082,532 0.129,533 0.138,534 0.106,535 0.143,536 -0.123,537 0.106,538 -0.07,539 0.025,540 0.014,541 -0.007,542 -0.083,543 -0.142,544 -0.21,545 -0.195,546 -0.08,547 -0.214,548 0.03,549 -0.128,550 -0.008,551 -0.084,552 0.014,553 -0.056,554 -0.006,555 0.066,556 0.039,557 0.052,558 -0.01,559 0.052,560 -0.031,561 -0.127,562 -0.133,563 -0.156,564 -0.048,565 -0.155,566 -0.042,567 -0.1,568 -0.131,569 -0.106,570 -0.121,571 -0.126,572 1.624,573 5.07,574 0.788,575 32.444,576 0.986,577 1.123,578 3.451,579 11.908,580 0.664,581 3.638,582 4.007,583 4.331,584 4.605,585 4.883,586 4.977,587 5.094,588 5.176,589 5.298,590 5.333,591 7.646,592 0.618,593 440.64,594 3.638,595 5.209,596 6.089,597 6.987,598 7.88,599 8.782,600 9.678,601 10.58,602 11.479,603 12.38,604 6.2,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,628 65,629 19,630 2,631 37,632 69,633 28,634 15,635 7,636 5,637 3,638 5,639 7,642 3,644 1,647 2,649 18,650 10,653 2,654 1,655 2,656 1,660 32,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 4,691 33,694 5,697 1,698 3,704 1.5,706 1,709 16.833,710 13.05,711 7.083,712 4.118,713 3.9,714 1.459,715 1.003,716 5.881,717 12.396,718 3.882,719 4.5,720 5.116,721 5.697,722 6.28,723 6.562,724 6.886,725 7.171,726 7.467,727 7.372,728 0.889,729 60,730 12.236,731 5.205,732 7.495,733 24.189,734 20.515,735 1.995,736 65.833,739 376.675,740 158.364,741 26.158,743 25.145,745 158.364,746 401.82,747 26.158,748 34.872,749 14.082,750 85.286,751 46.635,752 28.793,754 376.675,756 376.675,757 184.523,758 25.145,760 317.82,761 84,764 48.582,765 100.202,766 35.738,767 376.675,768 51.303,769 158.364,770 376.675,771 38.206,772 129.531,774 41.93,775 376.675,776 51.303,777 158.364,778 0.596,779 0.362,780 0.194,781 0.109,782 28,783 13,784 0.058,785 4,786 2,787 1.154,788 4.342,789 318.517,790 0.154,791 26,792 164.465,793 21.973,794 8.832,795 4.13,796 2.309,797 51.303,798 14.984,799 4.714,802 7.209,805 586.343,806 47.5,807 12.07,808 3.685,809 0.042,810 64.105,811 73.015,812 0.227,813 0.57,814 0.809,815 0.921,816 0.926,817 0.926,818 5.155,819 1.825,820 6.098,821 5.754,822 4.691,823 5.187,824 1.758,825 6.956,826 4.632,827 6.371,828 1.607,829 7.692,830 4.929,831 4.369,832 5.066,833 0.766,834 7.945,835 4.271,836 7.691,837 1.516,838 9.385,839 4.555,840 6.337,841 7.405,842 1.696,843 11.067,844 6.214,845 9.046,846 1.404,847 11.135,848 3.877,849 6.815,850 8.108,851 0.931,852 12.867,853 6.654,854 10.433,855 1.256,856 12.921,857 3.416,858 8.271,859 9.949,860 1.83,861 15.519,862 8.087,863 11.843,864 0.876,865 14.732,866 3.191,867 9.112,868 11.052,869 1.142,870 17.655,871 8.897,872 13.271,873 0.74,874 16.56,875 2.065,876 10.371,877 12.688,878 2.038,879 20.143,880 10.135,881 3.219,882 0.348,883 18.402,884 1.792,885 11.378,886 13.988,887 1.436,888 22.425,889 11.116,890 3.152,891 11.215,892 20.255,893 0.815,894 12.562,895 15.536,896 2.286,897 24.855,898 12.278,899 2.827,900 10.882,901 22.116,902 4.474,903 13.645,904 16.93,905 1.783,906 27.201,907 13.338,908 2.678,909 8.833,910 23.984,911 4.225,912 14.802,913 18.439,914 2.561,915 29.611,916 14.474,917 2.446,918 8.68,919 25.858,920 3.277,921 15.92,922 19.879,923 2.156,924 31.987,925 15.571,926 2.046,927 7.692,928 27.737,929 3.256,930 17.069,931 21.373,932 2.856,933 34.391,934 16.7,935 1.98,936 6.117,937 29.619,938 2.838,939 18.204,940 22.835,941 2.541,942 36.781,943 17.815,944 15355,945 22709,946 24.679,947 43.137,948 56.801,949 57.535,950 58.535,951 56.021,952 55.936,953 70.972,954 6.186,955 167.85,956 54.355,957 5.553,958 5.675,959 6.34,960 5.268,961 5.219,962 7.474,963 2.293,964 18.696,965 5.162,966 17.297,967 1.535,968 1.555,969 1.582,970 1.514,971 1.512,972 1.918,973 0.167,974 4.536,975 1.469,976 4.104,977 4.138,978 4.06,979 4.023,980 7.429,981 4.028,982 4.027,983 4.053,984 3.985,985 3.961,986 4.984,987 3.963,988 3.82,989 3.887,990 3.717,991 3.645,992 4.747,993 3.653,994 3.593,995 3.637,996 3.514,997 3.448,998 4.45,999 3.456,1000 3.518,1001 3.57,1002 3.416,1003 3.416,1004 4.313,1005 3.409,1006 3.345,1007 3.417,1008 3.191,1009 3.205,1010 4.203,1011 3.191,1012 3.271,1013 3.36,1014 3.064,1015 3.103,1016 4.004,1017 3.08,1018 3.193,1019 3.282,1020 3.014,1021 3.002,1022 3.959,1023 2.993,1024 0.123,1025 0.099,1026 0.184,1027 0.114,1028 0.087,1029 4.553,1030 0.121,1031 3.675,1032 0.032,1033 6.821,1034 0.303,1035 4.2,1036 0.085,1037 3.219,1038 4.474,1039 1.2,1040 11.215,1041 3.162,1042 2.049,1043 2.022,1044 2.131,1045 2.149,1046 1.387,1047 2.147,1048 2.004,1049 1.981,1050 2.096,1051 2.093,1052 1.291,1053 2.095,1054 1.782,1055 1.717,1056 1.974,1057 1.979,1058 1.192,1059 1.982,1060 1.556,1061 1.514,1062 1.751,1063 1.74,1064 0.941,1065 1.745,1066 1.522,1067 1.475,1068 1.733,1069 1.666,1070 0.899,1071 1.691,1072 1.362,1073 1.293,1074 1.663,1075 1.552,1076 0.808,1077 1.593,1078 1.299,1079 1.215,1080 1.619,1081 1.515,1082 0.784,1083 1.556,1084 1.199,1085 1.11,1086 1.535,1087 1.433,1088 0.595,1089 1.471,1090 4.317,1092 5.673,1094 7.236,1096 8.895,1098 10.603,1099 8.413,1104 5.076,1107 0.465,1108 6.865,1112 40.176,1113 88.848,1114 223.231,1115 316.783,1116 360.434,1117 362.434,1118 362.434,1119 47.482,1120 8.496,1121 41.37,1122 41.37,1123 30,1124 12.902,1125 4.322,1126 3.524,1127 48.062,1128 155,1129 143,1130 0.152,1131 244.288,1132 424.85,1133 587.824,1134 68930,1136 23.112,1137 0.7,1138 0.606,1139 23.112,1140 20.006,1141 15.919,1142 0.43,1143 0.32,1144 11.74,1145 15.48,1146 11.284,1147 9.374,1148 15.919,1149 11.858,1150 14.785,1151 0.274,1152 0.174,1153 14.785,1154 9.402,1155 13.144,1156 0.175,1157 0.097,1158 13.144,1159 7.256,1160 10.9,1161 0.11,1162 0.053,1163 10.9,1164 5.275,1165 9.161,1166 0.07,1167 0.029,1168 9.161,1169 3.767,1170 0.242,1171 98.27,1172 0.201,1173 30.741,1174 0.406,1175 182,1176 420.316,1177 193.512,1178 416.973,1179 591.14,1180 394,1181 220,1182 452.904,1183 232.707,1184 464.207,1185 683.6,1186 438,1187 5.8}
{0 CHEMBL1289510,1 1.482,2 13.212,3 4.535,4 20.562,5 131.464,6 7.171,7 0.459,8 4.217,9 4.343,10 3.765,11 3.777,12 5.26,13 3.746,14 4.792,15 4.985,16 4.159,17 4.191,18 5.796,19 4.148,20 5.072,21 5.282,22 4.272,23 4.407,24 6.057,25 4.335,26 5.202,27 5.426,28 4.206,29 4.475,30 6.143,31 4.348,32 5.282,33 5.553,34 4.121,35 4.442,36 6.109,37 4.292,38 5.207,39 5.48,40 4.049,41 4.321,42 6.114,43 4.187,44 5.08,45 5.336,46 3.933,47 4.225,48 6.029,49 4.093,50 5.012,51 5.28,52 3.77,53 4.153,54 5.847,55 3.994,56 0.018,57 0.982,58 13.107,59 5.774,60 7.17,61 7.789,62 0.227,63 1.648,64 25.675,65 9.321,66 24.568,67 13.168,68 0.351,69 2.113,70 35.04,71 12.684,72 39.003,73 17.542,74 0.418,75 2.274,76 40.274,77 15.95,78 54.381,79 22.288,80 0.297,81 2.34,82 45.588,83 17.427,84 48.418,85 24.854,86 0.443,87 2.282,88 43.465,89 15.571,90 69.472,91 21.561,92 0.526,93 2.055,94 38.038,95 13.486,96 72.384,97 18.399,98 0.391,99 1.784,100 35.15,101 12.609,102 51.643,103 17.982,104 26,105 54,106 0.237,107 0.574,108 0.792,109 0.889,110 0.889,111 0.889,112 3.532,113 0.936,114 -4.85,115 -4.76,116 -4.47,117 43.5,118 2,119 1,122 1,123 4,124 1,128 2,129 7,130 3,131 3,133 2,140 1,149 9,150 1,151 12,155 13,157 1,158 8,163 10,165 1,166 9,172 10,175 7,178 4,180 1,181 7,186 4,188 1,189 5,192 6,194 1,195 3,200 5,202 1,203 4,208 8,210 1771,211 22.17,212 22.17,213 22.17,214 22.17,215 22.17,216 19.896,217 29.264,218 12.691,219 22.592,220 18.226,221 18.226,222 18.226,223 18.226,224 18.226,225 14.614,226 40.653,227 6.003,228 18.91,229 4.472,230 2.365,231 0.999,232 0.391,233 0.391,234 0.391,235 4.239,239 965,240 2.915,243 444.395,245 297.649,246 2.011,247 28.253,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 70.5,258 436,259 4.583,260 3.671,261 6.743,262 4.15,263 3.182,264 4.51,265 1.2,266 10.972,267 3.098,268 4.489,269 3.354,270 6.72,271 4.142,272 3.168,273 4.12,274 0.8,275 10.929,276 3.073,277 3.931,278 3.11,279 6.081,280 3.772,281 2.832,282 3.287,283 0.8,284 8.795,285 2.659,286 3.836,287 3.022,288 5.93,289 3.534,290 2.551,291 3.116,292 0.293,293 8.101,294 2.501,295 3.72,296 2.729,297 5.737,298 3.389,299 2.442,300 2.972,302 7.721,303 2.309,304 3.538,305 2.667,306 5.051,307 3.15,308 2.215,309 2.78,311 6.056,312 2.061,313 3.315,314 2.414,315 5.028,316 2.922,317 1.956,318 2.577,320 5.662,321 1.901,322 3.288,323 2.2,324 4.963,325 2.888,326 1.887,327 2.516,328 5.55,329 1.854,330 2.989,331 1.719,332 4.583,333 2.588,334 1.605,335 2.13,336 4.554,337 1.577,338 2.876,339 1.614,340 4.361,341 2.495,342 1.527,343 1.969,344 4.075,345 1.472,346 2.65,347 1.575,348 4.172,349 2.429,350 1.457,351 1.62,352 3.72,353 1.412,354 2.473,355 1.427,356 3.724,357 2.193,358 1.212,359 1.456,360 2.763,361 1.186,362 2.319,363 1.106,364 3.652,365 1.937,366 0.969,367 1.265,368 2.497,369 0.934,370 1.847,371 0.949,372 3.282,373 1.646,374 0.672,375 0.753,376 1.639,377 0.653,378 1.818,379 0.78,380 2.876,381 1.28,382 0.26,383 0.361,384 0.584,385 0.262,386 15.719,387 0.476,388 0.942,389 0.029,390 41.75,391 1.265,392 20,393 0.606,394 21.75,395 0.659,396 31.768,397 0.963,398 35.281,399 0.569,400 32.405,401 0.982,402 8.159,403 0.247,404 7.743,405 0.235,406 0.135,408 0.394,411 1,412 0.625,413 1.275,414 0.782,415 1.119,416 0.523,417 1,418 0.822,419 1.028,420 0.823,421 0.87,422 0.49,423 0.835,424 1.075,425 0.962,426 1.041,427 0.94,428 0.833,429 0.963,430 0.674,431 0.988,432 1.071,433 1.184,434 0.723,435 1.194,436 0.641,437 1.003,438 0.911,439 1.06,440 0.586,441 1.034,442 1.134,443 1.075,444 1.011,445 0.991,446 1.121,447 0.984,448 1.333,449 1.072,450 1.186,451 1.042,452 1.4,453 1.085,454 0.912,455 0.972,456 1.127,457 1.057,458 0.856,459 1.109,460 7,461 0.157,462 4.667,463 2.563,464 2.489,465 1.313,466 0.87,467 0.531,468 0.377,469 0.245,470 16647,471 40889,472 2.112,473 46.8,475 21,479 3,480 5,482 1.749,483 1.96,484 3.626,485 -0.811,488 91.897,489 1.482,490 3.589,491 4.956,492 5.563,493 5.563,494 5.563,495 3.024,496 4.984,497 5.02,498 3.832,499 2023.44,500 8.77,501 30483.8,503 1,506 369.16,507 1.459,508 4.969,509 0.189,510 0.006,511 0.086,512 0.043,513 0.048,514 0.028,515 0.02,516 0.014,517 0.012,518 0.009,519 0.456,520 0.33,521 0.88,522 0.565,523 176,524 0.009,525 -0.2,526 0.071,527 -0.073,528 -0.023,529 -0.01,530 -0.003,531 0.008,532 0.105,533 0.1,534 0.081,535 0.119,536 -0.127,537 0.085,538 -0.09,539 0.031,540 -0.033,541 -0.008,542 0.07,543 -0.069,544 -0.14,545 -0.179,546 0.017,547 -0.194,548 0.036,549 -0.128,550 0.049,551 -0.067,552 0.037,553 -0.019,554 -0.046,555 -0.034,556 0.005,557 -0.011,558 -0.05,559 0.002,560 -0.091,561 0.036,562 -0.165,563 -0.06,564 -0.142,565 -0.114,566 -0.059,567 -0.037,568 -0.147,569 -0.087,570 -0.083,571 -0.122,572 1.906,573 6.349,574 0.788,575 32.828,576 0.996,577 1.128,578 3.62,579 13.105,580 0.666,581 3.638,582 4.007,583 4.317,584 4.605,585 4.89,586 4.977,587 5.081,588 5.204,589 5.308,590 5.323,591 7.702,592 0.63,593 444.6,594 3.638,595 5.209,596 6.084,597 6.984,598 7.874,599 8.775,600 9.669,601 10.571,602 11.468,603 12.37,604 6.5,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,627 1,628 62,629 19,630 2,631 37,632 66,633 27,634 15,635 7,636 5,637 3,638 5,639 7,642 2,644 1,647 2,649 18,650 9,653 2,654 1,655 2,656 1,659 1,660 29,661 6,663 6,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 3,690 1,691 33,694 5,697 1,698 3,703 1,704 1.6,706 1,709 16.833,710 12.193,711 7.056,712 3.897,713 3.898,714 1.459,715 1.008,716 5.839,717 12.4,718 3.882,719 4.5,720 5.107,721 5.703,722 6.293,723 6.589,724 6.893,725 7.229,726 7.493,727 7.415,728 0.889,729 59,730 12.274,731 5.313,732 7.677,733 23.835,734 20.236,735 2.177,736 71.833,739 341.362,740 155.475,741 26.158,743 25.145,744 14.96,745 155.475,746 366.507,747 41.119,748 26.047,749 14.082,750 85.286,751 46.635,752 34.728,753 14.96,754 341.362,756 341.362,757 181.633,758 40.105,760 297.467,761 84,764 39.757,765 106.138,766 35.738,767 356.322,768 51.303,769 155.475,770 341.362,771 44.142,772 120.706,774 56.891,775 341.362,776 66.264,777 155.475,778 0.596,779 0.357,780 0.194,781 0.112,782 28,783 13,784 0.061,785 4,786 2,787 1.154,788 4.352,789 317.742,790 0.154,791 26,792 166.465,793 21.912,794 8.794,795 4.225,796 1.717,797 66.264,798 13.389,799 4.527,802 4.954,805 563.1,806 47.5,807 11.982,808 3.589,809 0.014,810 61.734,811 69.94,812 0.249,813 0.603,814 0.832,815 0.934,816 0.934,817 0.934,818 5.155,819 1.887,820 6.094,821 5.662,822 4.691,823 5.187,824 1.758,825 6.944,826 4.621,827 6.371,828 1.605,829 7.681,830 5.55,831 4.369,832 5.066,833 0.766,834 7.906,835 4.246,836 7.689,837 1.527,838 9.366,839 4.554,840 6.33,841 7.399,842 1.696,843 11.027,844 6.188,845 9.04,846 1.457,847 11.107,848 4.075,849 6.792,850 8.088,851 0.931,852 12.799,853 6.603,854 10.423,855 1.212,856 12.883,857 3.72,858 8.249,859 9.932,860 1.83,861 15.45,862 8.04,863 11.828,864 0.969,865 14.685,866 2.763,867 9.075,868 11.022,869 1.142,870 17.567,871 8.827,872 13.251,873 0.672,874 16.505,875 2.497,876 10.335,877 12.663,878 2.038,879 20.052,880 10.064,881 3.182,882 0.26,883 18.339,884 1.639,885 11.332,886 13.957,887 1.436,888 22.32,889 11.028,890 3.168,891 10.972,892 20.184,893 0.584,894 12.514,895 15.509,896 2.286,897 24.743,898 12.187,899 2.832,900 10.929,901 22.039,902 4.51,903 13.591,904 16.904,905 1.783,906 27.079,907 13.233,908 2.551,909 8.795,910 23.9,911 4.12,912 14.745,913 18.418,914 2.561,915 29.48,916 14.363,917 2.442,918 8.101,919 25.768,920 3.287,921 15.858,922 19.862,923 2.156,924 31.845,925 15.448,926 2.215,927 7.721,928 27.641,929 3.116,930 17.004,931 21.361,932 2.856,933 34.239,934 16.569,935 1.956,936 6.056,937 29.519,938 2.972,939 18.135,940 22.829,941 2.541,942 36.619,943 17.672,944 15444,945 24348,946 24.679,947 41.313,948 56.83,949 57.558,950 58.324,951 56.022,952 55.872,953 70.866,954 6.186,955 167.241,956 53.905,957 5.583,958 5.671,959 6.272,960 5.218,961 5.182,962 7.51,963 2.293,964 18.322,965 5.098,966 17.388,967 1.536,968 1.556,969 1.576,970 1.514,971 1.51,972 1.915,973 0.167,974 4.52,975 1.457,976 4.105,977 4.138,978 4.069,979 4.02,980 8.201,981 4.028,982 4.016,983 4.043,984 3.971,985 3.945,986 7.429,987 3.947,988 3.821,989 3.886,990 3.718,991 3.645,992 4.949,993 3.653,994 3.564,995 3.611,996 3.484,997 3.427,998 4.756,999 3.431,1000 3.523,1001 3.568,1002 3.445,1003 3.397,1004 4.422,1005 3.402,1006 3.334,1007 3.4,1008 3.197,1009 3.199,1010 4.219,1011 3.186,1012 3.273,1013 3.362,1014 3.076,1015 3.103,1016 4.177,1017 3.081,1018 3.189,1019 3.281,1020 3.011,1021 2.985,1022 3.987,1023 2.981,1024 0.124,1025 0.099,1026 0.182,1027 0.112,1028 0.086,1029 4.583,1030 0.122,1031 3.671,1032 0.032,1033 6.743,1034 0.297,1035 4.15,1036 0.084,1037 3.182,1038 4.51,1039 1.2,1040 10.972,1041 3.098,1042 2.045,1043 2.02,1044 2.12,1045 2.15,1046 1.381,1047 2.143,1048 1.989,1049 1.965,1050 2.083,1051 2.084,1052 1.266,1053 2.085,1054 1.782,1055 1.717,1056 1.971,1057 1.978,1058 1.183,1059 1.98,1060 1.532,1061 1.487,1062 1.731,1063 1.714,1064 0.94,1065 1.72,1066 1.499,1067 1.457,1068 1.706,1069 1.659,1070 0.899,1071 1.674,1072 1.346,1073 1.283,1074 1.639,1075 1.529,1076 0.795,1077 1.572,1078 1.297,1079 1.214,1080 1.583,1081 1.508,1082 0.677,1083 1.537,1084 1.191,1085 1.096,1086 1.532,1087 1.433,1088 0.575,1089 1.471,1090 4.317,1092 5.673,1094 7.232,1096 8.887,1098 10.59,1099 5.992,1101 14.349,1104 4.479,1107 0.342,1108 6.498,1112 39.032,1113 91.897,1114 222.541,1115 307.244,1116 344.896,1117 344.896,1118 344.896,1119 55.808,1120 8.501,1121 41.37,1122 41.37,1123 30,1124 12.891,1125 4.322,1126 3.524,1127 48.079,1128 157,1129 134,1130 0.151,1131 235.894,1132 413.62,1133 567.342,1134 69286,1135 1.6,1136 23.112,1137 0.7,1138 0.587,1139 22.242,1140 19.384,1141 15.902,1142 0.43,1143 0.312,1144 11.398,1145 15.345,1146 11.03,1147 9.116,1148 15.508,1149 11.541,1150 14.903,1151 0.276,1152 0.169,1153 14.257,1154 9.106,1155 12.93,1156 0.175,1157 0.094,1158 12.663,1159 6.921,1160 10.892,1161 0.11,1162 0.051,1163 10.574,1164 5.044,1165 9.264,1166 0.07,1167 0.028,1168 8.923,1169 3.64,1170 0.24,1171 99.035,1172 0.201,1173 30.773,1174 0.402,1175 182,1176 506.427,1177 197.343,1178 470.623,1179 649.5,1180 442,1181 219,1182 485.237,1183 234.617,1184 488.737,1185 719.33,1186 461,1187 5.2}
{0 CHEMBL1289617,1 1.466,2 13.235,3 5.021,4 25.207,5 136.505,6 7.056,7 0.447,8 4.259,9 4.387,10 3.792,11 3.817,12 5.291,13 3.781,14 4.837,15 5.036,16 4.192,17 4.233,18 5.825,19 4.186,20 5.108,21 5.314,22 4.318,23 4.459,24 6.09,25 4.386,26 5.263,27 5.485,28 4.261,29 4.546,30 6.192,31 4.416,32 5.364,33 5.636,34 4.185,35 4.52,36 6.175,37 4.364,38 5.299,39 5.579,40 4.127,41 4.405,42 6.175,43 4.27,44 5.166,45 5.412,46 4.034,47 4.343,48 6.115,49 4.207,50 5.186,51 5.463,52 3.833,53 4.279,54 6.013,55 4.1,56 0.026,57 1.022,58 14.036,59 6.119,60 7.872,61 8.335,62 0.241,63 1.712,64 27.341,65 9.9,66 25.817,67 14.129,68 0.353,69 2.197,70 36.496,71 13.34,72 39.07,73 18.557,74 0.428,75 2.414,76 42.938,77 17.139,78 54.908,79 24.031,80 0.304,81 2.519,82 49.413,83 18.989,84 50.765,85 27.228,86 0.517,87 2.471,88 47.866,89 16.64,90 70.037,91 23.432,92 0.505,93 2.238,94 40.888,95 14.966,96 70.158,97 20.505,98 0.469,99 2.039,100 42.325,101 15.122,102 67.088,103 21.686,104 37,105 56,106 0.232,107 0.565,108 0.787,109 0.883,110 0.883,111 0.883,112 3.561,113 0.944,114 -5.05,115 -4.95,116 -4.63,117 43.1,118 3,119 1,122 1,123 4,124 1,128 2,129 6,130 4,131 3,133 2,140 1,149 10,150 1,151 12,155 15,157 1,158 8,163 13,165 1,166 9,172 11,175 9,178 5,180 1,181 7,186 4,188 1,189 6,192 7,194 1,195 4,200 5,202 1,203 4,208 8,210 1920,211 22.67,212 22.67,213 22.67,214 22.67,215 22.67,216 20.343,217 30.122,218 12.865,219 23.092,220 18.693,221 18.693,222 18.693,223 18.693,224 18.693,225 15.001,226 41.262,227 6.074,228 19.377,229 4.557,230 2.455,231 1.054,232 0.446,233 0.446,234 0.446,235 4.265,239 992,240 3,243 458.191,245 307.374,246 1.972,247 28.793,249 1,250 0.83,251 1,252 0.8,253 0.5,254 1,255 1,256 0.88,257 72.5,258 450,259 4.583,260 3.675,261 6.821,262 4.201,263 3.219,264 4.51,265 1.2,266 11.215,267 3.162,268 4.549,269 3.355,270 6.72,271 4.145,272 3.179,273 4.225,274 0.8,275 10.972,276 3.073,277 3.969,278 3.202,279 6.156,280 3.776,281 2.834,282 3.288,283 0.8,284 8.841,285 2.67,286 3.917,287 3.058,288 6.07,289 3.657,290 2.679,291 3.276,292 0.293,293 8.687,294 2.606,295 3.723,296 2.729,297 5.737,298 3.392,299 2.448,300 2.973,302 7.728,303 2.311,304 3.538,305 2.667,306 5.314,307 3.15,308 2.215,309 2.781,311 6.118,312 2.061,313 3.375,314 2.543,315 5.029,316 2.993,317 1.982,318 2.619,320 6.055,321 1.997,322 3.304,323 2.204,324 4.964,325 2.913,326 1.953,327 2.57,328 5.653,329 1.862,330 3.219,331 2.002,332 4.743,333 2.819,334 1.825,335 2.426,336 4.929,337 1.81,338 2.883,339 1.71,340 4.582,341 2.538,342 1.574,343 1.973,344 4.554,345 1.513,346 2.682,347 1.594,348 4.216,349 2.45,350 1.482,351 1.643,352 3.823,353 1.43,354 2.475,355 1.495,356 3.99,357 2.237,358 1.261,359 1.456,360 3.194,361 1.227,362 2.319,363 1.163,364 3.724,365 1.942,366 0.972,367 1.267,368 2.5,369 0.938,370 1.957,371 1.089,372 3.377,373 1.741,374 0.762,375 0.87,376 1.843,377 0.744,378 1.847,379 0.799,380 2.99,381 1.357,382 0.348,383 0.449,384 0.818,385 0.348,386 16.219,387 0.477,388 1.031,389 0.03,390 42.25,391 1.243,392 20,393 0.588,394 22.25,395 0.654,396 34.822,397 1.024,398 36.581,399 0.563,400 33.173,401 0.976,402 8.215,403 0.242,404 8.097,405 0.238,406 0.161,408 0.413,411 1,412 0.626,413 1.282,414 0.8,415 1.132,416 0.531,417 1.015,418 0.814,419 1.007,420 0.799,421 0.844,422 0.483,423 0.809,424 1.079,425 0.978,426 1.048,427 0.957,428 0.839,429 0.977,430 0.666,431 1.011,432 1.088,433 1.208,434 0.716,435 1.216,436 0.609,437 1.033,438 0.904,439 1.082,440 0.566,441 1.047,442 1.159,443 1.003,444 0.996,445 0.913,446 1.078,447 0.922,448 1.268,449 1.131,450 1.219,451 1.143,452 1.321,453 1.171,454 0.953,455 0.968,456 1.136,457 1.071,458 0.986,459 1.121,460 7.5,461 0.174,462 5.111,463 2.875,464 2.76,465 1.451,466 1.073,467 0.547,468 0.397,469 0.265,470 17620,471 42440,472 2.091,473 47.7,474 3,475 20,479 3,480 5,482 1.758,483 1.925,484 3.619,485 -0.817,488 95.268,489 1.466,490 3.568,491 4.968,492 5.576,493 5.576,494 5.576,495 3.005,496 4.653,497 5.064,498 3.831,499 2148.92,500 8.862,501 32913.9,506 391.454,507 1.496,508 5.004,509 0.197,510 0.006,511 0.091,512 0.046,513 0.05,514 0.029,515 0.023,516 0.013,517 0.012,518 0.009,519 0.477,520 0.33,521 0.88,522 0.591,523 182.582,524 0.012,525 -0.195,526 0.071,527 -0.07,528 -0.027,529 -0.008,530 0.009,531 0.032,532 0.14,533 0.135,534 0.09,535 0.155,536 -0.126,537 0.085,538 -0.094,539 0.026,540 -0.035,541 -0.014,542 0.066,543 -0.079,544 -0.158,545 -0.194,546 0.013,547 -0.211,548 0.049,549 -0.159,550 0.05,551 -0.088,552 0.039,553 -0.033,554 -0.062,555 0.034,556 0.022,557 0.052,558 -0.048,559 0.052,560 -0.08,561 -0.021,562 -0.216,563 -0.149,564 -0.115,565 -0.193,566 -0.064,567 -0.072,568 -0.151,569 -0.104,570 -0.104,571 -0.136,572 1.906,573 6.387,574 0.765,575 33.619,576 0.994,577 1.129,578 3.817,579 14.569,580 0.663,581 3.664,582 4.043,583 4.357,584 4.644,585 4.934,586 5.043,587 5.147,588 5.247,589 5.352,590 5.375,591 7.724,592 0.624,593 458.63,594 3.664,595 5.242,596 6.12,597 7.024,598 7.918,599 8.823,600 9.722,601 10.628,602 11.529,603 12.435,604 6.2,605 1,608 1,609 1,612 1,613 2,614 6,615 1,618 7,620 17,625 1,627 1,628 65,629 19,630 2,631 38,632 69,633 28,634 15,635 8,636 4,637 3,638 5,639 7,642 3,644 1,647 2,649 18,650 10,653 2,654 1,655 2,656 1,659 1,660 31,661 6,663 6,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 4,690 1,691 34,694 5,697 1,698 3,703 1,704 1.5,706 1,709 17.667,710 13.11,711 7.25,712 4.098,713 3.906,714 1.456,715 1.003,716 6.075,717 12.471,718 3.902,719 4.533,720 5.143,721 5.737,722 6.334,723 6.644,724 6.948,725 7.26,726 7.525,727 7.449,728 0.889,729 62,730 12.65,731 5.463,732 7.662,733 24.61,734 20.884,735 2.162,736 73.5,739 364.904,740 158.009,741 26.158,743 25.145,744 14.96,745 158.009,746 390.049,747 41.119,748 34.872,749 14.082,750 75.81,751 46.635,752 37.914,753 14.96,754 364.904,756 364.904,757 184.168,758 40.105,760 321.009,761 84,764 48.582,765 99.847,766 35.738,767 379.864,768 51.303,769 158.009,770 364.904,771 47.327,772 120.055,774 56.891,775 364.904,776 66.264,777 158.009,778 0.599,779 0.36,780 0.194,781 0.112,782 29,783 14,784 0.058,785 4,786 2,787 1.154,788 4.377,789 333.254,790 0.154,791 26,792 172.974,793 22.862,794 9.035,795 4.331,796 1.718,797 66.264,798 11.366,799 4.535,802 6.282,805 589.177,806 48.5,807 12.067,808 3.624,809 0.016,810 64.618,811 73.355,812 0.243,813 0.592,814 0.825,815 0.926,816 0.926,817 0.926,818 5.183,819 1.953,820 6.138,821 6.055,822 4.727,823 5.22,824 1.758,825 6.999,826 4.659,827 6.407,828 1.825,829 7.734,830 5.653,831 4.443,832 5.147,833 0.766,834 7.982,835 4.328,836 7.734,837 1.574,838 9.427,839 4.929,840 6.378,841 7.447,842 1.696,843 11.105,844 6.244,845 9.092,846 1.482,847 11.175,848 4.554,849 6.868,850 8.172,851 0.931,852 12.892,853 6.693,854 10.481,855 1.261,856 12.958,857 3.823,858 8.311,859 9.995,860 1.83,861 15.55,862 8.116,863 11.891,864 0.972,865 14.765,866 3.194,867 9.155,868 11.108,869 1.142,870 17.68,871 8.928,872 13.32,873 0.762,874 16.59,875 2.5,876 10.41,877 12.737,878 2.038,879 20.174,880 10.162,881 3.219,882 0.348,883 18.429,884 1.843,885 11.42,886 14.044,887 1.436,888 22.455,889 11.145,890 3.179,891 11.215,892 20.28,893 0.818,894 12.603,895 15.592,896 2.286,897 24.89,898 12.307,899 2.834,900 10.972,901 22.139,902 4.51,903 13.689,904 16.993,905 1.783,906 27.238,907 13.37,908 2.679,909 8.841,910 24.006,911 4.225,912 14.847,913 18.506,914 2.561,915 29.651,916 14.507,917 2.448,918 8.687,919 25.879,920 3.288,921 15.968,922 19.953,923 2.156,924 32.03,925 15.606,926 2.215,927 7.728,928 27.757,929 3.276,930 17.12,931 21.452,932 2.856,933 34.437,934 16.737,935 1.982,936 6.118,937 29.639,938 2.973,939 18.258,940 22.921,941 2.541,942 36.83,943 17.853,944 16419,945 25634,946 25.085,947 43.074,948 58.455,949 59.434,950 60.448,951 57.725,952 57.57,953 72.773,954 6.186,955 174.094,956 55.603,957 5.583,958 5.675,959 6.159,960 5.268,961 5.219,962 7.51,963 2.293,964 18.696,965 5.162,966 19.313,967 1.538,968 1.564,969 1.591,970 1.519,971 1.515,972 1.915,973 0.163,974 4.581,975 1.463,976 4.107,977 4.141,978 4.07,979 4.023,980 8.201,981 4.03,982 4.027,983 4.054,984 3.986,985 3.961,986 7.429,987 3.964,988 3.821,989 3.887,990 3.718,991 3.645,992 4.949,993 3.653,994 3.593,995 3.637,996 3.514,997 3.448,998 4.747,999 3.457,1000 3.53,1001 3.579,1002 3.452,1003 3.415,1004 4.422,1005 3.415,1006 3.347,1007 3.419,1008 3.202,1009 3.205,1010 4.221,1011 3.191,1012 3.273,1013 3.362,1014 3.076,1015 3.103,1016 4.198,1017 3.081,1018 3.194,1019 3.282,1020 3.016,1021 3.002,1022 3.993,1023 2.995,1024 0.121,1025 0.097,1026 0.18,1027 0.111,1028 0.085,1029 4.583,1030 0.119,1031 3.675,1032 0.032,1033 6.821,1034 0.295,1035 4.201,1036 0.083,1037 3.219,1038 4.51,1039 1.2,1040 11.215,1041 3.162,1042 2.045,1043 2.02,1044 2.121,1045 2.15,1046 1.387,1047 2.143,1048 2.004,1049 1.981,1050 2.094,1051 2.093,1052 1.29,1053 2.094,1054 1.782,1055 1.717,1056 1.973,1057 1.979,1058 1.188,1059 1.981,1060 1.555,1061 1.513,1062 1.749,1063 1.74,1064 0.941,1065 1.745,1066 1.513,1067 1.469,1068 1.714,1069 1.668,1070 0.899,1071 1.683,1072 1.362,1073 1.293,1074 1.663,1075 1.552,1076 0.799,1077 1.593,1078 1.297,1079 1.214,1080 1.614,1081 1.515,1082 0.781,1083 1.554,1084 1.198,1085 1.109,1086 1.535,1087 1.433,1088 0.595,1089 1.471,1090 4.344,1092 5.707,1094 7.272,1096 8.932,1098 10.642,1099 8.155,1101 14.387,1104 4.482,1107 0.338,1108 6.53,1112 40.559,1113 95.268,1114 231.902,1115 322.925,1116 362.434,1117 362.434,1118 362.434,1119 59.044,1120 8.564,1121 41.37,1122 41.37,1123 30,1124 12.954,1125 4.322,1126 3.524,1127 50.208,1128 162,1129 142,1130 0.152,1131 245.487,1132 430.92,1133 590.748,1134 74289,1135 1.5,1136 23.982,1137 0.705,1138 0.597,1139 23.112,1140 20.307,1141 16.313,1142 0.429,1143 0.315,1144 11.815,1145 15.756,1146 11.377,1147 9.425,1148 15.919,1149 11.957,1150 15.43,1151 0.276,1152 0.171,1153 14.785,1154 9.55,1155 13.411,1156 0.174,1157 0.095,1158 13.144,1159 7.297,1160 11.219,1161 0.109,1162 0.051,1163 10.9,1164 5.304,1165 9.502,1166 0.069,1167 0.028,1168 9.161,1169 3.799,1170 0.242,1171 101.499,1172 0.2,1173 31.436,1174 0.408,1175 188,1176 514.427,1177 203.343,1178 479.196,1179 662.53,1180 450,1181 227,1182 496.237,1183 242.617,1184 500.995,1185 737.5,1186 472,1187 5.9}
{0 CHEMBL1289618,1 1.367,2 13.061,3 4.534,4 20.557,5 135.885,6 6.779,7 0.459,8 4.252,9 4.383,10 3.758,11 3.818,12 5.243,13 3.772,14 4.829,15 5.03,16 4.162,17 4.24,18 5.75,19 4.183,20 5.118,21 5.324,22 4.284,23 4.477,24 6.035,25 4.389,26 5.311,27 5.553,28 4.191,29 4.563,30 6.128,31 4.414,32 5.367,33 5.646,34 4.086,35 4.535,36 6.09,37 4.354,38 5.286,39 5.574,40 4.03,41 4.432,42 6.016,43 4.261,44 5.156,45 5.414,46 3.99,47 4.369,48 5.954,49 4.212,50 5.16,51 5.433,52 3.856,53 4.313,54 5.924,55 4.132,56 0.055,57 0.95,58 14.656,59 6.087,60 10,61 8.606,62 0.253,63 1.62,64 27.693,65 9.856,66 24.098,67 14.541,68 0.336,69 2.111,70 37.257,71 13.334,72 35.259,73 19.423,74 0.356,75 2.368,76 45.781,77 17.837,78 46.057,79 25.623,80 0.312,81 2.407,82 49.007,83 19.216,84 43.619,85 28.062,86 0.347,87 2.219,88 45.584,89 17.257,90 44.534,91 25.378,92 0.307,93 2.014,94 39.48,95 15.099,96 41.269,97 21.946,98 0.358,99 1.988,100 40.013,101 14.787,102 43.38,103 21.847,104 26,105 55,106 0.217,107 0.541,108 0.752,109 0.854,110 0.864,111 0.864,112 3.532,113 0.955,114 -4.68,115 -4.6,116 -4.32,117 43.1,118 3,119 1,122 1,123 4,125 1,128 2,129 8,130 3,131 2,133 2,140 1,149 11,150 1,151 13,155 14,157 1,158 11,163 11,165 1,166 9,172 12,175 7,178 9,180 1,181 8,186 9,188 1,189 6,192 10,194 1,195 4,200 8,202 1,203 4,208 10,210 1808,211 22.04,212 22.04,213 22.04,214 22.04,215 22.04,216 19.79,217 29.218,218 12.535,219 22.39,220 18.22,221 18.22,222 18.22,223 18.22,224 18.22,225 14.69,226 44.739,227 5.886,228 18.782,229 4.655,230 2.605,231 1.277,232 0.631,233 0.57,234 0.57,235 4.238,239 955,240 3.24,243 444.535,245 296.57,246 2.059,247 19.351,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 69,258 431,259 4.567,260 3.671,261 7.317,262 4.374,263 3.419,264 4.474,265 1.2,266 12.559,267 3.264,268 4.49,269 3.62,270 6.743,271 4.145,272 3.169,273 4.12,274 0.8,275 10.929,276 3.096,277 4.379,278 3.201,279 6.684,280 4.069,281 3.096,282 3.426,283 0.8,284 10.795,285 3.015,286 3.836,287 3.056,288 5.934,289 3.539,290 2.553,291 3.2,292 0.293,293 8.106,294 2.509,295 3.794,296 2.698,297 5.781,298 3.439,299 2.494,300 3.111,302 7.864,303 2.353,304 3.384,305 2.436,306 5.068,307 3.02,308 2.053,309 2.688,311 5.779,312 1.982,313 3.307,314 2.256,315 4.995,316 2.931,317 1.934,318 2.531,320 5.625,321 1.923,322 3.035,323 2.022,324 4.867,325 2.742,326 1.781,327 2.262,328 5.168,329 1.704,330 2.996,331 1.658,332 4.561,333 2.581,334 1.601,335 2.132,336 4.497,337 1.567,338 2.825,339 1.626,340 4.342,341 2.537,342 1.545,343 1.859,344 4.018,345 1.53,346 2.779,347 1.475,348 4.051,349 2.395,350 1.414,351 1.83,352 3.466,353 1.384,354 2.611,355 1.427,356 3.653,357 2.192,358 1.211,359 1.56,360 2.759,361 1.185,362 2.251,363 0.967,364 3.382,365 1.84,366 0.862,367 1.161,368 2.044,369 0.841,370 1.849,371 0.907,372 3.342,373 1.645,374 0.671,375 0.76,376 1.646,377 0.652,378 1.821,379 0.767,380 2.964,381 1.285,382 0.269,383 0.366,384 0.612,385 0.269,386 15.933,387 0.483,388 1.013,389 0.031,390 41.5,391 1.258,392 20,393 0.606,394 21.5,395 0.652,396 33.658,397 1.02,398 35.067,399 0.539,400 31.445,401 0.953,402 7.937,403 0.241,404 7.895,405 0.239,406 0.146,407 0.031,408 0.326,412 0.754,413 1.412,414 0.858,415 1.133,416 0.624,417 1.023,418 1.02,419 1.084,420 0.838,421 0.847,422 0.521,423 0.817,424 1.298,425 1.066,426 1.124,427 1.013,428 0.844,429 1.034,430 0.991,431 1.075,432 1.124,433 1.126,434 0.968,435 1.138,436 0.657,437 1.017,438 0.972,439 1.054,440 0.574,441 1.043,442 0.716,443 0.918,444 0.905,445 0.938,446 0.627,447 0.936,448 0.899,449 1.084,450 1.071,451 1.096,452 0.882,453 1.1,454 0.887,455 1.067,456 1.126,457 1.098,458 0.799,459 1.125,460 7.5,461 0.14,462 5.333,463 2.813,464 2.489,465 1.396,466 1.034,467 0.632,468 0.463,469 0.281,470 16359,471 35555,472 2.105,473 49.2,475 21,479 3,480 8,482 1.75,483 1.951,484 3.611,485 -0.841,488 88.848,489 1.367,490 3.417,491 4.745,492 5.391,493 5.453,494 5.453,495 3.04,496 4.923,497 5.019,498 3.815,499 2014.27,500 8.774,501 29935.8,506 391.454,507 1.6,508 4.962,509 0.203,510 0.005,511 0.097,512 0.047,513 0.048,514 0.03,515 0.024,516 0.015,517 0.013,518 0.009,519 0.491,520 0.33,521 0.88,522 0.565,523 175.358,524 0.05,525 -0.232,526 0.081,527 -0.07,528 -0.038,529 -0.007,530 0.056,531 0.058,532 0.149,533 0.136,534 0.119,535 0.15,536 -0.152,537 0.06,538 -0.135,539 -0.036,540 -0.012,541 -0.073,542 -0.079,543 -0.076,544 -0.154,545 -0.124,546 -0.058,547 -0.144,548 0.015,549 -0.079,550 -0.009,551 -0.057,552 0.017,553 -0.038,554 0.046,555 0.024,556 0.072,557 0.041,558 0.019,559 0.056,560 -0.034,561 -0.098,562 -0.097,563 -0.106,564 -0.078,565 -0.109,566 -0.03,567 -0.09,568 -0.147,569 -0.126,570 -0.09,571 -0.144,572 1.629,573 5.027,574 0.788,575 33.188,576 0.986,577 1.123,578 3.451,579 11.908,580 0.664,581 3.638,582 4.025,583 4.331,584 4.605,585 4.875,586 4.963,587 5.088,588 5.198,589 5.338,590 5.361,591 7.55,592 0.618,593 440.64,594 3.638,595 5.22,596 6.098,597 7.006,598 7.898,599 8.806,600 9.703,601 10.611,602 11.51,603 12.418,604 6.2,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,628 65,629 19,630 2,631 37,632 69,633 28,634 15,635 6,636 6,637 3,638 5,639 7,642 3,645 1,647 1,649 18,650 10,651 1,653 2,654 1,655 2,656 1,660 32,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 4,691 33,694 5,698 3,699 1,704 1.5,706 1,709 16.917,710 13.05,711 6.986,712 4.025,713 3.862,714 1.456,715 0.992,716 5.658,717 12.331,718 3.882,719 4.5,720 5.098,721 5.675,722 6.248,723 6.521,724 6.853,725 7.168,726 7.48,727 7.401,728 0.889,729 60,730 12.234,731 5.227,732 7.503,733 24.15,734 20.563,735 2.003,736 66.083,739 376.675,740 164.655,741 26.158,743 25.145,745 164.655,746 401.82,747 26.158,748 34.872,749 14.082,750 94.762,751 46.635,752 25.607,754 376.675,756 376.675,757 190.813,758 25.145,760 282.506,761 119.314,764 48.582,765 106.493,766 35.738,767 376.675,768 51.303,769 164.655,770 376.675,771 35.02,772 139.007,774 41.93,775 376.675,776 51.303,777 164.655,778 0.601,779 0.36,780 0.191,781 0.106,782 29,783 13,784 0.058,785 4,786 2,787 1.154,788 4.317,789 320.631,790 0.154,791 26,792 162.465,793 21.973,794 8.497,795 4.13,796 2.298,797 51.303,798 17.06,799 4.724,802 5.816,805 592.634,806 47.5,807 12.027,808 3.654,809 0.038,810 64.105,811 73.015,812 0.227,813 0.567,814 0.788,815 0.895,816 0.905,817 0.905,818 5.166,819 1.781,820 6.133,821 5.625,822 4.71,823 5.187,824 1.758,825 7.024,826 4.65,827 6.396,828 1.601,829 7.751,830 5.168,831 4.511,832 5.094,833 0.766,834 8.222,835 4.412,836 7.731,837 1.545,838 9.479,839 4.497,840 6.422,841 7.403,842 1.696,843 11.297,844 6.294,845 9.099,846 1.414,847 11.271,848 4.018,849 7.022,850 8.106,851 0.931,852 13.298,853 6.851,854 10.5,855 1.211,856 13.106,857 3.466,858 8.458,859 9.936,860 1.83,861 15.958,862 8.258,863 11.922,864 0.862,865 14.969,866 2.759,867 9.402,868 11.024,869 1.142,870 18.258,871 9.158,872 13.362,873 0.671,874 16.854,875 2.044,876 10.672,877 12.655,878 2.038,879 20.796,880 10.397,881 3.419,882 0.269,883 18.754,884 1.646,885 11.761,886 13.939,887 1.436,888 23.212,889 11.443,890 3.169,891 12.559,892 20.666,893 0.612,894 12.976,895 15.481,896 2.286,897 25.715,898 12.621,899 3.096,900 10.929,901 22.589,902 4.474,903 14.126,904 16.863,905 1.783,906 28.179,907 13.729,908 2.553,909 10.795,910 24.519,911 4.12,912 15.325,913 18.368,914 2.561,915 30.677,916 14.888,917 2.494,918 8.106,919 26.455,920 3.426,921 16.502,922 19.8,923 2.156,924 33.163,925 16.022,926 2.053,927 7.864,928 28.397,929 3.2,930 17.698,931 21.29,932 2.856,933 35.664,934 17.177,935 1.934,936 5.779,937 30.344,938 3.111,939 18.888,940 22.746,941 2.541,942 38.162,943 18.323,944 15175,945 22506,946 24.561,947 43.137,948 57.334,949 57.798,950 58.195,951 56.333,952 56.262,953 71.096,954 6.186,955 172.021,956 54.665,957 5.567,958 5.671,959 6.846,960 5.442,961 5.419,962 7.474,963 2.293,964 20.072,965 5.264,966 17.12,967 1.55,968 1.562,969 1.573,970 1.523,971 1.521,972 1.922,973 0.167,974 4.649,975 1.477,976 4.104,977 4.14,978 4.06,979 4.023,980 7.429,981 4.028,982 4.015,983 4.043,984 3.971,985 3.945,986 4.984,987 3.947,988 3.85,989 3.911,990 3.755,991 3.693,992 4.756,993 3.699,994 3.563,995 3.61,996 3.481,997 3.428,998 4.47,999 3.428,1000 3.52,1001 3.57,1002 3.42,1003 3.405,1004 4.343,1005 3.406,1006 3.358,1007 3.435,1008 3.191,1009 3.219,1010 4.18,1011 3.202,1012 3.318,1013 3.39,1014 3.148,1015 3.16,1016 4.001,1017 3.147,1018 3.188,1019 3.28,1020 3.014,1021 2.985,1022 3.977,1023 2.98,1024 0.123,1025 0.099,1026 0.198,1027 0.118,1028 0.092,1029 4.567,1030 0.121,1031 3.671,1032 0.032,1033 7.317,1034 0.339,1035 4.374,1036 0.088,1037 3.419,1038 4.474,1039 1.2,1040 12.559,1041 3.264,1042 2.05,1043 2.023,1044 2.133,1045 2.152,1046 1.394,1047 2.149,1048 1.99,1049 1.965,1050 2.085,1051 2.085,1052 1.268,1053 2.086,1054 1.817,1055 1.758,1056 1.997,1057 1.996,1058 1.196,1059 1.999,1060 1.537,1061 1.49,1062 1.743,1063 1.714,1064 0.957,1065 1.723,1066 1.513,1067 1.469,1068 1.736,1069 1.669,1070 0.922,1071 1.695,1072 1.38,1073 1.31,1074 1.668,1075 1.577,1076 0.806,1077 1.615,1078 1.327,1079 1.256,1080 1.585,1081 1.512,1082 0.678,1083 1.54,1084 1.191,1085 1.096,1086 1.532,1087 1.433,1088 0.575,1089 1.471,1090 4.317,1092 5.687,1094 7.262,1096 8.932,1098 10.648,1099 8.587,1104 4.964,1108 6.865,1109 0.052,1112 40.176,1113 88.848,1114 222.127,1115 308.434,1116 350.434,1117 354.434,1118 354.434,1119 48.852,1120 8.469,1121 41.37,1122 41.37,1123 30,1124 12.936,1125 4.322,1126 3.524,1127 48.029,1128 152,1129 141,1130 0.154,1131 244.288,1132 424.85,1133 587.824,1134 66032,1136 23.165,1137 0.702,1138 0.606,1139 23.165,1140 20.006,1141 15.831,1142 0.428,1143 0.318,1144 11.658,1145 15.397,1146 11.182,1147 9.301,1148 15.831,1149 11.774,1150 15.174,1151 0.276,1152 0.179,1153 15.174,1154 9.848,1155 13.033,1156 0.174,1157 0.096,1158 13.033,1159 7.171,1160 10.894,1161 0.11,1162 0.053,1163 10.894,1164 5.27,1165 9.121,1166 0.07,1167 0.029,1168 9.121,1169 3.749,1170 0.245,1171 97.723,1172 0.202,1173 30.686,1174 0.416,1175 184,1176 420.316,1177 195.845,1178 417.836,1179 591.63,1180 394,1181 222,1182 454.256,1183 235.04,1184 466.821,1185 685.66,1186 439,1187 5.6}
{0 CHEMBL1289721,1 1.327,2 13.281,3 5.01,4 25.095,5 132.106,6 6.756,7 0.472,8 4.217,9 4.343,10 3.72,11 3.812,12 5.195,13 3.76,14 4.796,15 4.99,16 4.1,17 4.24,18 5.702,19 4.167,20 5.077,21 5.287,22 4.216,23 4.458,24 5.965,25 4.355,26 5.215,27 5.444,28 4.121,29 4.516,30 6.045,31 4.364,32 5.282,33 5.555,34 4.022,35 4.467,36 6.016,37 4.286,38 5.199,39 5.486,40 3.906,41 4.332,42 5.912,43 4.157,44 5.052,45 5.317,46 3.788,47 4.23,48 5.812,49 4.054,50 5.041,51 5.334,52 3.629,53 4.138,54 5.756,55 3.942,56 0.055,57 0.885,58 14.106,59 6.107,60 8.752,61 8.519,62 0.228,63 1.527,64 26.552,65 10.266,66 21.515,67 14.758,68 0.246,69 1.956,70 35.51,71 14.023,72 32.202,73 19.959,74 0.255,75 2.145,76 41.063,77 17.093,78 39.92,79 24.092,80 0.258,81 2.239,82 44.71,83 18.096,84 39.864,85 26.135,86 0.346,87 2.078,88 41.863,89 15.574,90 36.145,91 22.854,92 0.273,93 1.797,94 35.667,95 13.9,96 34.064,97 20.026,98 0.353,99 1.704,100 36.062,101 13.638,102 40.58,103 19.743,104 17,105 52,106 0.212,107 0.543,108 0.767,109 0.851,110 0.856,111 0.856,112 3.502,113 0.973,114 -5.2,115 -5.09,116 -4.76,117 44.4,118 2,119 3,120 1,122 1,123 3,128 2,129 7,130 5,131 1,133 2,140 1,149 17,150 1,151 11,155 22,158 9,163 22,166 9,172 19,175 10,178 12,180 1,181 6,186 8,188 1,189 3,192 13,194 1,195 2,200 13,203 3,208 13,210 1634,211 21.723,212 21.723,213 21.723,214 21.723,215 21.723,216 19.42,217 26.174,218 12.482,219 21.979,220 17.715,221 17.715,222 17.715,223 17.715,224 17.715,225 14.104,226 31.303,227 5.875,228 18.103,229 4.65,230 2.568,231 1.165,232 0.639,233 0.607,234 0.607,235 4.212,239 944,240 2.828,243 428.747,245 287.712,246 1.934,247 17.557,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 66.5,258 425,259 4.551,260 3.675,261 6.821,262 4.2,263 3.218,264 4.474,265 1.2,266 11.215,267 3.162,268 4.549,269 3.277,270 6.695,271 4.131,272 3.139,273 4.225,274 0.8,275 10.856,276 3.113,277 3.962,278 3.196,279 6.151,280 3.68,281 2.705,282 3.276,283 0.293,284 8.747,285 2.634,286 3.855,287 2.848,288 5.807,289 3.599,290 2.629,291 3.249,293 8,294 2.549,295 3.531,296 2.642,297 5.343,298 3.308,299 2.365,300 2.735,302 6.884,303 2.224,304 3.379,305 2.534,306 5.295,307 3.023,308 2.042,309 2.623,311 6.11,312 2.008,313 3.33,314 2.216,315 4.961,316 2.987,317 1.978,318 2.5,320 5.732,321 1.978,322 3.215,323 1.996,324 4.742,325 2.812,326 1.818,327 2.413,328 4.922,329 1.802,330 3.03,331 1.626,332 4.56,333 2.588,334 1.602,335 2.245,336 4.496,337 1.578,338 2.788,339 1.549,340 4.05,341 2.424,342 1.431,343 1.853,344 3.489,345 1.42,346 2.649,347 1.425,348 3.999,349 2.255,350 1.275,351 1.596,352 3.227,353 1.247,354 2.259,355 1.155,356 3.414,357 1.984,358 1,359 1.17,360 2.275,361 0.983,362 2,363 1.077,364 3.395,365 1.852,366 0.868,367 1,368 2.051,369 0.853,370 1.955,371 0.9,372 3.331,373 1.717,374 0.731,375 0.854,376 1.761,377 0.719,378 1.835,379 0.75,380 2.932,381 1.327,382 0.309,383 0.416,384 0.714,385 0.311,386 15.533,387 0.485,388 0.836,389 0.026,390 39.75,391 1.242,392 19.5,393 0.609,394 20.25,395 0.633,396 31.635,397 0.989,398 33.667,399 0.534,400 28.741,401 0.898,402 7.515,403 0.235,404 7.993,405 0.25,406 0.118,408 0.373,412 0.706,413 1.292,414 0.862,415 1.081,416 0.582,417 0.998,418 0.912,419 1.008,420 0.882,421 0.878,422 0.518,423 0.868,424 1.072,425 1.017,426 1.029,427 0.996,428 0.796,429 1,430 0.946,431 1.148,432 1.147,433 1.192,434 1.026,435 1.192,436 0.639,437 1.1,438 0.987,439 1.098,440 0.603,441 1.076,442 0.923,443 0.933,444 0.996,445 0.943,446 0.679,447 0.963,448 0.933,449 1.094,450 1.112,451 1.128,452 0.894,453 1.133,454 1.084,455 0.867,456 1.023,457 0.913,458 1.159,459 0.958,460 6,461 0.174,462 4.667,463 2.375,464 2.218,465 1.146,466 0.746,467 0.391,468 0.27,469 0.229,470 15802,471 33554,472 2.135,473 49.2,474 4,475 18,479 3,480 6,482 1.74,483 2,484 3.637,485 -0.867,488 83.628,489 1.327,490 3.409,491 4.812,492 5.338,493 5.37,494 5.37,495 3.018,496 4.688,497 4.977,498 3.832,499 1900.46,500 8.673,501 28318.1,503 1,506 376.569,507 1.406,508 4.933,509 0.167,510 0.007,511 0.09,512 0.042,513 0.045,514 0.027,515 0.02,516 0.012,517 0.01,518 0.009,519 0.427,520 0.33,521 0.88,522 0.531,523 169.669,524 0.047,525 -0.149,526 0.075,527 -0.03,528 -0.007,529 0.013,530 0.063,531 0.105,532 0.093,533 0.114,534 0.105,535 0.109,536 -0.1,537 0.048,538 -0.056,539 0.001,540 0.027,541 -0.017,542 -0.09,543 -0.16,544 -0.186,545 -0.178,546 -0.079,547 -0.19,548 0.037,549 -0.151,550 -0.022,551 -0.105,552 0.006,553 -0.075,554 -0.014,555 0.048,556 -0.005,557 0.012,558 -0.021,559 0.007,560 -0.021,561 -0.117,562 -0.132,563 -0.152,564 -0.061,565 -0.152,566 -0.023,567 0.069,568 -0.024,569 0.051,570 -0.083,571 0.018,572 1.617,573 5.031,574 0.813,575 31.063,576 0.984,577 1.119,578 3.97,579 15.765,580 0.669,581 3.611,582 3.97,583 4.29,584 4.564,585 4.844,586 4.92,587 5.024,588 5.106,589 5.209,590 5.247,591 7.723,592 0.621,593 425.62,594 3.611,595 5.176,596 6.052,597 6.946,598 7.836,599 8.733,600 9.626,601 10.525,602 11.42,603 12.318,604 4.8,605 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,628 63,629 19,630 2,631 36,632 67,633 28,634 15,635 7,636 5,637 3,638 5,639 7,642 2,644 2,645 1,647 3,649 18,650 10,651 1,653 2,654 1,655 2,656 1,660 31,661 4,663 4,666 3,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 3,691 32,694 6,697 1,698 2,704 1.6,706 1,709 16,710 12.35,711 6.889,712 4.068,713 3.93,714 1.465,715 1.009,716 5.671,717 12.39,718 3.861,719 4.477,720 5.098,721 5.683,722 6.269,723 6.544,724 6.861,725 7.14,726 7.42,727 7.304,728 0.889,729 57,730 11.878,731 5.076,732 7.479,733 23.591,734 20.209,735 1.979,736 63.333,739 364.904,740 152.931,741 23.034,743 25.145,745 152.931,746 390.049,747 23.034,748 26.047,749 17.045,750 85.286,751 46.635,752 26.097,754 364.904,756 364.904,757 175.965,758 25.145,760 294.278,761 95.772,764 42.721,765 97.507,766 35.738,767 364.904,768 48.179,769 152.931,770 364.904,771 41.598,772 117.582,774 41.93,775 364.904,776 48.179,777 152.931,778 0.593,779 0.359,780 0.193,781 0.11,782 27,783 12,784 0.06,785 4,786 2,787 1.154,788 4.329,789 302.181,790 0.154,791 26,792 154,793 21.062,794 8.616,795 4.046,796 2.43,797 48.179,798 15.181,799 4.722,802 7.45,805 566.015,806 46.5,807 12.031,808 3.694,809 0.049,810 62.003,811 70.517,812 0.222,813 0.57,814 0.805,815 0.893,816 0.898,817 0.898,818 5.125,819 1.818,820 6.052,821 5.732,822 4.654,823 5.165,824 1.577,825 6.899,826 4.614,827 6.337,828 1.602,829 7.637,830 4.922,831 4.29,832 5.027,833 0.57,834 7.872,835 4.226,836 7.655,837 1.431,838 9.321,839 4.496,840 6.286,841 7.387,842 1.608,843 10.995,844 6.207,845 9.008,846 1.275,847 11.065,848 3.489,849 6.735,850 8.087,851 0.801,852 12.796,853 6.636,854 10.395,855 1,856 12.846,857 3.227,858 8.206,859 9.937,860 1.786,861 15.449,862 8.094,863 11.805,864 0.868,865 14.653,866 2.275,867 9.029,868 11.04,869 1.074,870 17.593,871 8.903,872 13.234,873 0.731,874 16.48,875 2.051,876 10.297,877 12.681,878 2.015,879 20.085,880 10.158,881 3.218,882 0.309,883 18.322,884 1.761,885 11.296,886 13.982,887 1.404,888 22.375,889 11.146,890 3.139,891 11.215,892 20.175,893 0.714,894 12.484,895 15.532,896 2.275,897 24.809,898 12.322,899 2.705,900 10.856,901 22.038,902 4.474,903 13.564,904 16.927,905 1.768,906 27.161,907 13.391,908 2.629,909 8.747,910 23.908,911 4.225,912 14.724,913 18.437,914 2.556,915 29.575,916 14.539,917 2.365,918 8,919 25.785,920 3.276,921 15.842,922 19.878,923 2.15,924 31.955,925 15.646,926 2.042,927 6.884,928 27.666,929 3.249,930 16.994,931 21.372,932 2.853,933 34.361,934 16.785,935 1.978,936 6.11,937 29.552,938 2.735,939 18.13,940 22.834,941 2.538,942 36.754,943 17.909,944 14588,945 21380,946 24.274,947 42.131,948 55.026,949 55.714,950 56.328,951 54.272,952 54.221,953 69.257,954 4.586,955 160.96,956 53.162,957 5.551,958 5.675,959 6.341,960 5.239,961 5.218,962 7.474,963 2.293,964 18.696,965 5.162,966 15.397,967 1.528,968 1.548,969 1.565,970 1.508,971 1.506,972 1.924,973 0.127,974 4.471,975 1.477,976 4.111,977 4.141,978 4.064,979 4.046,980 7.429,981 4.046,982 4.027,983 4.053,984 3.985,985 3.963,986 4.979,987 3.964,988 3.811,989 3.873,990 3.699,991 3.666,992 4.747,993 3.665,994 3.595,995 3.639,996 3.515,997 3.454,998 4.418,999 3.461,1000 3.515,1001 3.567,1002 3.41,1003 3.409,1004 4.278,1005 3.402,1006 3.356,1007 3.424,1008 3.203,1009 3.229,1010 4.202,1011 3.214,1012 3.198,1013 3.285,1014 3.033,1015 3.016,1016 3.997,1017 3.009,1018 3.111,1019 3.206,1020 2.918,1021 2.946,1022 3.943,1023 2.928,1024 0.126,1025 0.102,1026 0.189,1027 0.117,1028 0.089,1029 4.551,1030 0.124,1031 3.675,1032 0.033,1033 6.821,1034 0.312,1035 4.2,1036 0.088,1037 3.218,1038 4.474,1039 1.2,1040 11.215,1041 3.162,1042 2.07,1043 2.046,1044 2.163,1045 2.153,1046 1.474,1047 2.158,1048 2.004,1049 1.981,1050 2.096,1051 2.093,1052 1.315,1053 2.094,1054 1.792,1055 1.734,1056 1.98,1057 1.967,1058 1.181,1059 1.975,1060 1.562,1061 1.519,1062 1.759,1063 1.742,1064 0.965,1065 1.749,1066 1.517,1067 1.469,1068 1.728,1069 1.664,1070 0.825,1071 1.688,1072 1.377,1073 1.312,1074 1.651,1075 1.55,1076 0.812,1077 1.588,1078 1.204,1079 1.117,1080 1.536,1081 1.434,1082 0.785,1083 1.473,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.598,1089 1.429,1090 4.29,1092 5.638,1094 7.195,1096 8.848,1098 10.55,1099 6.1,1104 6.715,1107 0.605,1108 4.356,1112 39.154,1113 83.628,1114 214.771,1115 303.143,1116 336.304,1117 338.304,1118 338.304,1119 46.121,1120 8.46,1121 38.13,1122 38.13,1123 30,1124 12.842,1125 4.322,1126 3.524,1127 46.024,1128 153,1129 136,1130 0.147,1131 237.494,1132 413.85,1133 571.246,1134 67085,1136 22.242,1137 0.695,1138 0.602,1139 22.242,1140 19.266,1141 15.508,1142 0.431,1143 0.324,1144 11.589,1145 15.164,1146 11.178,1147 9.268,1148 15.508,1149 11.679,1150 14.255,1151 0.274,1152 0.178,1153 14.255,1154 9.257,1155 12.685,1156 0.176,1157 0.101,1158 12.685,1159 7.263,1160 10.509,1161 0.111,1162 0.056,1163 10.509,1164 5.331,1165 8.936,1166 0.071,1167 0.031,1168 8.936,1169 3.952,1170 0.237,1171 95.268,1172 0.203,1173 30.125,1174 0.389,1175 176,1176 394.671,1177 184.764,1178 393.79,1179 557.3,1180 372,1181 212,1182 423.735,1183 221.321,1184 436.222,1185 641.33,1186 412,1187 5.7}
{0 CHEMBL1290486,1 1.398,2 13.167,3 3.769,4 14.204,5 120.764,6 6.906,7 0.5,8 4.15,9 4.281,10 3.673,11 3.719,12 5.129,13 3.679,14 4.73,15 4.923,16 4.041,17 4.14,18 5.655,19 4.077,20 5.02,21 5.245,22 4.11,23 4.327,24 5.896,25 4.229,26 5.079,27 5.315,28 4.005,29 4.35,30 5.892,31 4.206,32 5.137,33 5.414,34 3.9,35 4.303,36 5.872,37 4.134,38 5.053,39 5.34,40 3.781,41 4.169,42 5.789,43 4,44 4.895,45 5.17,46 3.651,47 4.034,48 5.642,49 3.874,50 4.796,51 5.065,52 3.525,53 3.953,54 5.523,55 3.777,56 0.049,57 0.864,58 12.912,59 5.36,60 6.868,61 7.526,62 0.221,63 1.468,64 24.593,65 8.952,66 19.934,67 13.05,68 0.338,69 1.859,70 33.983,71 12.047,72 32.974,73 17.46,74 0.249,75 1.897,76 35.838,77 14.237,78 31.529,79 20.381,80 0.266,81 1.926,82 39.097,83 14.87,84 34.053,85 21.794,86 0.309,87 1.767,88 36.419,89 13.109,90 34.772,91 19.44,92 0.306,93 1.523,94 31.02,95 10.927,96 31.581,97 16.105,98 0.258,99 1.368,100 27.769,101 10.373,102 25.121,103 15.21,104 5,105 48,106 0.227,107 0.534,108 0.712,109 0.848,110 0.859,111 0.859,112 3.44,113 0.963,114 -4.15,115 -4.09,116 -3.87,117 43.1,118 1,119 3,123 5,129 8,130 3,131 2,133 2,140 1,149 11,151 8,153 1,154 3,155 13,157 1,158 6,162 3,163 11,165 1,166 7,170 2,172 10,175 7,178 3,181 8,182 1,186 1,188 1,189 4,192 2,194 1,195 2,200 4,203 4,205 1,208 8,210 1376,211 20.67,212 20.67,213 20.67,214 20.67,215 20.67,216 18.477,217 24.642,218 12.128,219 20.986,220 16.807,221 16.807,222 16.807,223 16.807,224 16.807,225 13.431,226 31.261,227 5.768,228 17.308,229 4.46,230 2.57,231 1.474,232 0.634,233 0.565,234 0.565,235 4.156,238 1,239 886,240 2.646,243 400.254,245 268.055,246 1.956,247 18.038,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 63,258 395,259 4.551,260 3.625,261 6.695,262 4.109,263 3.139,264 4.474,265 1.907,266 10.856,267 3.046,268 4.392,269 3.28,270 6.518,271 4.045,272 3.056,273 4.034,274 0.8,275 10.25,276 3.024,277 3.856,278 3.15,279 5.807,280 3.584,281 2.647,282 3.249,283 0.8,284 8.002,285 2.475,286 3.657,287 2.872,288 5.378,289 3.374,290 2.408,291 2.875,292 0.149,293 6.98,294 2.348,295 3.525,296 2.643,297 5.267,298 3.27,299 2.294,300 2.734,302 6.616,303 2.207,304 3.344,305 2.279,306 4.961,307 3.007,308 2.041,309 2.52,311 5.733,312 1.969,313 3.216,314 2.208,315 4.809,316 2.864,317 1.866,318 2.406,320 5.274,321 1.851,322 3.027,323 1.776,324 4.559,325 2.576,326 1.599,327 2.241,328 4.493,329 1.562,330 2.911,331 1.649,332 4.189,333 2.516,334 1.515,335 2.071,336 3.793,337 1.514,338 2.775,339 1.476,340 4.035,341 2.398,342 1.417,343 1.842,344 3.463,345 1.386,346 2.27,347 1.222,348 3.451,349 2.031,350 1.049,351 1.203,352 2.412,353 1.028,354 2.142,355 1.146,356 3.414,357 1.967,358 1,359 1.093,360 2.275,361 0.965,362 2,363 0.951,364 3.364,365 1.817,366 0.838,367 1,368 1.999,369 0.819,370 1.72,371 0.872,372 3.154,373 1.556,374 0.575,375 0.64,376 1.375,377 0.563,378 1.213,379 0.621,380 2.645,381 0.852,382 -0.136,383 -0.154,384 -0.338,385 -0.133,386 14.433,387 0.481,388 0.674,389 0.022,390 38.25,391 1.275,392 18.5,393 0.617,394 19.75,395 0.658,396 26.873,397 0.896,398 31.767,399 0.548,400 26.398,401 0.88,402 7.314,403 0.244,404 7.356,405 0.245,406 0.058,408 0.333,412 0.778,413 1.355,414 0.841,415 1.088,416 0.559,417 0.986,418 0.956,419 1.15,420 0.929,421 0.963,422 0.538,423 0.936,424 1.283,425 0.963,426 1.085,427 0.936,428 1.05,429 0.975,430 0.8,431 1.145,432 1.102,433 1.197,434 0.769,435 1.185,436 0.719,437 1.03,438 0.975,439 1.051,440 0.609,441 1.039,442 0.832,443 0.979,444 0.978,445 0.991,446 0.689,447 0.994,448 1.09,449 0.955,450 1.077,451 0.98,452 0.98,453 1.017,454 0.809,455 1.078,456 1.089,457 1.115,458 0.778,459 1.129,460 5.5,461 0.128,462 3.556,463 1.75,464 1.716,465 0.833,466 0.584,467 0.313,468 0.2,469 0.199,470 13872,471 30491,472 2.186,473 48.3,474 2,475 18,478 1,479 5,480 2,482 1.722,483 2.093,484 3.631,485 -0.415,487 1,488 81.061,489 1.398,490 3.288,491 4.384,492 5.224,493 5.293,494 5.293,495 3.023,496 4.548,497 4.882,498 3.815,499 1659.61,500 8.478,501 23764.6,503 1,506 339.763,507 1.231,508 4.859,509 0.162,510 0.006,511 0.074,512 0.035,513 0.04,514 0.022,515 0.018,516 0.011,517 0.008,518 0.009,519 0.384,520 0.5,521 0.88,522 0.424,523 156.398,524 0.013,525 -0.175,526 0.075,527 -0.036,528 0.006,529 0.014,530 0.025,531 -0.018,532 0.033,533 0.024,534 0.083,535 0.03,536 -0.16,537 0.11,538 -0.101,539 0.033,540 -0.093,541 -0.016,542 -0.022,543 -0.153,544 -0.15,545 -0.185,546 -0.019,547 -0.183,548 0.006,549 -0.089,550 -0.006,551 -0.06,552 0.012,553 -0.038,554 0.014,555 -0.03,556 0.009,557 -0.026,558 -0.006,559 -0.011,560 -0.084,561 0.018,562 -0.082,563 -0.022,564 -0.099,565 -0.048,566 0.027,567 -0.125,568 -0.114,569 -0.132,570 -0.03,571 -0.138,572 1.533,573 4.66,574 0.867,575 29.209,576 0.989,577 1.124,578 2.921,579 8.532,580 0.666,581 3.555,582 3.892,583 4.19,584 4.477,585 4.754,586 4.796,587 4.898,588 5.011,589 5.118,590 5.136,591 7.585,592 0.623,593 400.57,594 3.555,595 5.106,596 5.969,597 6.853,598 7.73,599 8.617,600 9.498,601 10.387,602 11.269,603 12.158,604 6.9,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,628 58,629 18,630 2,631 34,632 62,633 25,634 15,635 6,636 6,638 5,639 7,642 1,644 2,647 3,649 16,650 9,653 1,654 1,656 1,658 1,660 28,661 5,662 1,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,681 1,684 1,687 3,688 1,691 30,694 8,695 1,698 2,704 1.7,706 1,709 14.333,710 10.683,711 6.472,712 3.747,713 3.558,714 1.428,715 1.027,716 5.345,717 11.864,718 3.795,719 4.394,720 4.975,721 5.564,722 6.133,723 6.365,724 6.668,725 6.988,726 7.257,727 7.129,728 0.889,729 50,730 11.135,731 4.771,732 7.494,733 22.095,734 18.9,735 1.994,736 59.833,738 1,739 317.82,740 126.83,741 41.045,743 25.145,745 126.83,746 342.965,747 41.045,748 8.825,749 36.143,750 75.81,751 46.635,752 25.607,754 317.82,756 317.82,757 167.875,758 25.145,760 294.278,761 48.687,764 52.993,765 98.097,766 16.786,767 317.82,768 66.19,769 126.83,770 317.82,771 42.195,772 90.884,773 18.011,774 41.93,775 317.82,776 66.19,777 126.83,778 0.584,779 0.344,780 0.193,781 0.111,782 25,783 10,784 0.065,785 4,786 2,787 1.154,788 4.277,789 272.868,790 0.154,791 26,792 138.452,793 19.383,794 8.273,795 4.048,796 2.324,797 66.19,798 17.057,799 4.686,802 6.077,804 18.011,805 510.84,806 43.5,807 11.66,809 0.134,810 57.338,811 65.185,812 0.239,813 0.561,814 0.748,815 0.892,816 0.904,817 0.904,818 5.045,819 1.599,820 5.948,821 5.274,822 4.575,823 5.081,824 2.194,825 6.76,826 4.519,827 6.237,828 1.515,829 7.503,830 4.493,831 4.111,832 4.89,833 1.738,834 7.653,835 4.022,836 7.542,837 1.417,838 9.156,839 3.793,840 6.168,841 7.277,842 2.953,843 10.764,844 6.053,845 8.88,846 1.049,847 10.87,848 3.463,849 6.524,850 7.934,851 3.061,852 12.512,853 6.381,854 10.252,855 1,856 12.624,857 2.412,858 8.036,859 9.807,860 4.047,861 15.137,862 7.87,863 11.648,864 0.838,865 14.406,866 2.275,867 8.79,868 10.882,869 4.414,870 17.243,871 8.601,872 13.064,873 0.575,874 16.21,875 1.999,876 10.073,877 12.536,878 5.252,879 19.702,880 9.862,881 3.139,882 -0.136,883 18.029,884 1.375,885 11.022,886 13.82,887 5.75,888 21.958,889 10.792,890 3.056,891 10.856,892 19.862,893 -0.338,894 12.208,895 15.377,896 6.502,897 24.357,898 11.957,899 2.647,900 10.25,901 21.706,902 4.474,903 13.251,904 16.762,905 7.068,906 26.676,907 12.982,908 2.408,909 8.002,910 23.557,911 4.034,912 14.398,913 18.276,914 7.771,915 29.054,916 14.109,917 2.294,918 6.98,919 25.416,920 3.249,921 15.486,922 19.712,923 8.374,924 31.4,925 15.178,926 2.041,927 6.616,928 27.28,929 2.875,930 16.62,931 21.208,932 9.051,933 33.771,934 16.291,935 1.866,936 5.733,937 29.149,938 2.734,939 17.729,940 22.668,941 9.674,942 36.129,943 17.381,944 12673,945 18903,946 23.463,947 38.614,948 50.946,949 52.202,950 52.144,951 50.888,952 50.891,953 64.766,954 7.312,955 147.041,956 49.511,957 5.551,958 5.625,959 6.232,960 5.176,961 5.139,962 7.474,963 3.306,964 18.031,965 5.046,966 10.734,967 1.498,968 1.535,969 1.534,970 1.497,971 1.497,972 1.905,973 0.215,974 4.325,975 1.456,976 4.098,977 4.132,978 4.054,979 4.018,980 7.429,981 4.023,982 4.005,983 4.036,984 3.949,985 3.933,986 4.983,987 3.933,988 3.791,989 3.861,990 3.681,991 3.601,992 4.732,993 3.611,994 3.555,995 3.604,996 3.458,997 3.421,998 4.44,999 3.417,1000 3.505,1001 3.554,1002 3.402,1003 3.379,1004 4.285,1005 3.38,1006 3.33,1007 3.402,1008 3.18,1009 3.188,1010 4.014,1011 3.176,1012 3.111,1013 3.206,1014 2.962,1015 2.954,1016 3.965,1017 2.943,1018 3.092,1019 3.165,1020 2.868,1021 2.941,1022 3.851,1023 2.91,1024 0.134,1025 0.107,1026 0.197,1027 0.121,1028 0.092,1029 4.551,1030 0.132,1031 3.625,1032 0.056,1033 6.695,1034 0.319,1035 4.109,1036 0.09,1037 3.139,1038 4.474,1039 1.907,1040 10.856,1041 3.046,1042 2.048,1043 2.022,1044 2.129,1045 2.147,1046 1.378,1047 2.144,1048 1.984,1049 1.957,1050 2.095,1051 2.085,1052 1.309,1053 2.09,1054 1.748,1055 1.679,1056 1.949,1057 1.96,1058 1.19,1059 1.962,1060 1.536,1061 1.487,1062 1.752,1063 1.713,1064 1.018,1065 1.725,1066 1.501,1067 1.453,1068 1.721,1069 1.653,1070 0.825,1071 1.677,1072 1.342,1073 1.275,1074 1.609,1075 1.526,1076 0.819,1077 1.558,1078 1.153,1079 1.064,1080 1.513,1081 1.376,1082 0.79,1083 1.429,1084 1.112,1085 1.04,1086 1.424,1087 1.304,1088 0.48,1089 1.35,1090 4.234,1092 5.565,1094 7.102,1096 8.736,1098 10.417,1099 2.044,1104 7.779,1105 3.016,1108 5.056,1112 36.122,1113 81.061,1114 190.688,1115 254.279,1116 303.008,1117 307.008,1118 307.008,1119 39.967,1120 8.306,1121 48.47,1122 48.47,1123 30,1124 12.689,1125 4.248,1126 3.392,1127 41.934,1128 141,1129 122,1130 0.146,1131 218.439,1132 375.59,1133 524.751,1134 56332,1136 20.501,1137 0.683,1138 0.584,1139 20.501,1140 17.526,1141 14.67,1142 0.431,1143 0.321,1144 10.809,1145 14.263,1146 10.541,1147 8.659,1148 14.67,1149 10.915,1150 13.328,1151 0.278,1152 0.174,1153 13.328,1154 8.367,1155 11.467,1156 0.176,1157 0.099,1158 11.467,1159 6.408,1160 9.877,1161 0.114,1162 0.054,1163 9.877,1164 4.74,1165 8.492,1166 0.074,1167 0.031,1168 8.492,1169 3.517,1170 0.235,1171 90.6,1172 0.206,1173 28.716,1174 0.382,1175 164,1176 385.004,1177 174.818,1178 380.319,1179 535.55,1180 360,1181 195,1182 404.636,1183 206.209,1184 411.937,1185 605.11,1186 391,1187 5.5}
{0 CHEMBL1290487,1 1.383,2 13.258,3 3.975,4 15.798,5 125.661,6 6.797,7 0.486,8 4.195,9 4.326,10 3.706,11 3.755,12 5.163,13 3.712,14 4.782,15 4.984,16 4.078,17 4.178,18 5.677,19 4.115,20 5.058,21 5.278,22 4.18,23 4.384,24 5.944,25 4.29,26 5.155,27 5.381,28 4.076,29 4.43,30 6,31 4.287,32 5.231,33 5.51,34 3.957,35 4.389,36 5.95,37 4.211,38 5.138,39 5.429,40 3.819,41 4.242,42 5.854,43 4.062,44 4.974,45 5.257,46 3.69,47 4.09,48 5.697,49 3.922,50 4.865,51 5.144,52 3.587,53 4.006,54 5.568,55 3.833,56 0.05,57 0.906,58 13.809,59 5.689,60 7.454,61 8.064,62 0.254,63 1.542,64 26.436,65 9.279,66 18.554,67 13.741,68 0.33,69 1.939,70 35.372,71 12.683,72 32.14,73 18.438,74 0.299,75 2.035,76 38.859,77 15.355,78 39.435,79 21.829,80 0.285,81 2.097,82 42.881,83 16.444,84 35.738,85 24.148,86 0.325,87 1.9,88 39.559,89 14.368,90 36.122,91 21.363,92 0.316,93 1.624,94 33.613,95 11.893,96 32.878,97 17.65,98 0.293,99 1.457,100 29.962,101 10.864,102 25.618,103 16.114,104 10,105 50,106 0.222,107 0.515,108 0.716,109 0.844,110 0.855,111 0.855,112 3.472,113 0.969,114 -4.36,115 -4.29,116 -4.05,117 42.6,118 1,119 3,122 1,123 5,129 8,130 3,131 2,133 2,140 1,149 11,150 1,151 11,155 13,157 1,158 9,163 11,165 1,166 9,172 10,175 7,178 3,180 1,181 8,186 1,188 1,189 4,192 2,194 1,195 2,200 4,202 1,203 4,208 8,210 1504,211 21.223,212 21.223,213 21.223,214 21.223,215 21.223,216 19.078,217 25.269,218 12.309,219 21.589,220 17.248,221 17.248,222 17.248,223 17.248,224 17.248,225 13.9,226 31.577,227 5.804,228 17.817,229 4.548,230 2.729,231 1.479,232 0.68,233 0.615,234 0.615,235 4.184,238 1,239 917,240 2.739,243 414.951,245 277.987,246 1.975,247 18.033,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 65,258 411,259 4.551,260 3.771,261 6.743,262 4.147,263 3.17,264 4.474,265 1.94,266 10.929,267 3.098,268 4.464,269 3.28,270 6.695,271 4.108,272 3.139,273 4.077,274 0.8,275 10.856,276 3.046,277 3.86,278 3.152,279 5.935,280 3.601,281 2.658,282 3.249,283 0.8,284 8.12,285 2.529,286 3.825,287 2.874,288 5.807,289 3.525,290 2.549,291 3.076,292 0.555,293 7.994,294 2.456,295 3.53,296 2.648,297 5.33,298 3.296,299 2.356,300 2.735,302 6.882,303 2.214,304 3.344,305 2.417,306 5.041,307 3.008,308 2.042,309 2.521,311 5.741,312 1.969,313 3.225,314 2.251,315 4.959,316 2.879,317 1.876,318 2.408,320 5.527,321 1.869,322 3.028,323 1.867,324 4.56,325 2.588,326 1.608,327 2.242,328 4.497,329 1.575,330 2.915,331 1.649,332 4.343,333 2.547,334 1.555,335 2.075,336 4.036,337 1.54,338 2.776,339 1.481,340 4.035,341 2.399,342 1.418,343 1.844,344 3.464,345 1.387,346 2.388,347 1.429,348 3.652,349 2.199,350 1.217,351 1.373,352 2.762,353 1.192,354 2.248,355 1.146,356 3.414,357 1.967,358 1,359 1.16,360 2.275,361 0.965,362 2,363 1.052,364 3.375,365 1.832,366 0.854,367 1,368 2.03,369 0.834,370 1.797,371 0.912,372 3.234,373 1.604,374 0.628,375 0.708,376 1.525,377 0.612,378 1.608,379 0.753,380 2.804,381 1.273,382 0.249,383 0.306,384 0.555,385 0.252,386 14.933,387 0.482,388 0.747,389 0.024,390 39,391 1.258,392 18.5,393 0.597,394 20.5,395 0.661,396 28.964,397 0.934,398 33.067,399 0.542,400 27.754,401 0.895,402 7.479,403 0.241,404 7.618,405 0.246,406 0.089,408 0.348,412 0.751,413 1.437,414 0.85,415 1.143,416 0.557,417 1.025,418 1.056,419 1.079,420 0.918,421 0.886,422 0.57,423 0.875,424 1.26,425 0.981,426 1.061,427 0.951,428 0.997,429 0.973,430 1.043,431 1.169,432 1.18,433 1.225,434 1.185,435 1.224,436 0.694,437 1.035,438 0.981,439 1.063,440 0.591,441 1.05,442 0.805,443 0.985,444 0.98,445 1.003,446 0.679,447 1.004,448 1.036,449 0.968,450 1.037,451 0.975,452 0.948,453 0.999,454 0.884,455 0.995,456 1.048,457 1.014,458 0.745,459 1.04,460 5.5,461 0.14,462 4.222,463 2.063,464 1.947,465 0.951,466 0.584,467 0.375,468 0.25,469 0.209,470 14897,471 31952,472 2.16,473 49.2,474 2,475 21,479 5,480 2,482 1.731,483 2.044,484 3.646,485 -0.831,487 1,488 84.357,489 1.383,490 3.202,491 4.451,492 5.25,493 5.316,494 5.316,495 3.042,496 4.736,497 4.931,498 3.833,499 1782.43,500 8.575,501 26118.4,503 1,506 361.775,507 1.332,508 4.896,509 0.157,510 0.006,511 0.084,512 0.038,513 0.042,514 0.024,515 0.017,516 0.013,517 0.009,518 0.009,519 0.399,520 0.33,521 0.88,522 0.486,523 163.194,524 0.047,525 -0.247,526 0.085,527 -0.075,528 0.009,529 -0.008,530 0.004,531 0.066,532 0.066,533 0.095,534 0.053,535 0.091,536 -0.13,537 0.107,538 -0.073,539 0.03,540 -0.036,541 -0.006,542 -0.087,543 -0.164,544 -0.215,545 -0.207,546 -0.095,547 -0.224,548 0.009,549 -0.095,550 -0.016,551 -0.07,552 0.014,553 -0.049,554 0.02,555 -0.041,556 0.002,557 -0.038,558 -0.007,559 -0.022,560 -0.05,561 -0.006,562 -0.044,563 -0.018,564 -0.082,565 -0.029,566 0.009,567 -0.033,568 -0.065,569 -0.045,570 -0.015,571 -0.06,572 1.445,573 5.029,574 0.839,575 30.177,576 0.987,577 1.125,578 3.125,579 9.767,580 0.662,581 3.584,582 3.932,583 4.248,584 4.522,585 4.796,586 4.844,587 4.956,588 5.056,589 5.159,590 5.187,591 7.708,592 0.617,593 414.6,594 3.584,595 5.142,596 6.014,597 6.903,598 7.788,599 8.68,600 9.569,601 10.462,602 11.352,603 12.245,604 6.6,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,628 61,629 18,630 2,631 35,632 65,633 26,634 15,635 6,636 6,638 5,639 7,642 1,644 2,647 3,649 16,650 10,653 1,654 1,656 1,658 1,660 30,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,684 1,687 3,688 2,691 31,694 8,698 3,704 1.6,706 1,709 15.167,710 11.633,711 6.694,712 3.922,713 3.563,714 1.424,715 1.016,716 5.579,717 11.959,718 3.818,719 4.419,720 5.016,721 5.591,722 6.157,723 6.394,724 6.708,725 7.011,726 7.277,727 7.161,728 0.889,729 54,730 11.514,731 4.915,732 7.478,733 22.876,734 19.515,735 1.978,736 61.333,738 1,739 353.133,740 135.227,741 26.158,743 25.145,745 135.227,746 378.278,747 26.158,748 17.222,749 21.256,750 75.81,751 46.635,752 25.607,754 353.133,756 353.133,757 161.385,758 25.145,760 329.591,761 48.687,764 38.107,765 106.493,766 16.786,767 353.133,768 51.303,769 135.227,770 353.133,771 42.195,772 102.405,774 41.93,775 353.133,776 51.303,777 135.227,778 0.589,779 0.355,780 0.194,781 0.109,782 26,783 11,784 0.062,785 4,786 2,787 1.154,788 4.304,789 287.153,790 0.154,791 26,792 147.58,793 20.326,794 8.509,795 4.015,796 2.327,797 51.303,798 17.178,799 4.693,802 6.22,805 539.663,806 44.5,807 12.029,809 0.222,810 60.221,811 68.6,812 0.233,813 0.54,814 0.751,815 0.885,816 0.896,817 0.896,818 5.077,819 1.608,820 6.004,821 5.527,822 4.615,823 5.106,824 2.263,825 6.838,826 4.553,827 6.274,828 1.555,829 7.578,830 4.497,831 4.205,832 4.934,833 1.803,834 7.786,835 4.098,836 7.584,837 1.418,838 9.253,839 4.036,840 6.232,841 7.304,842 3.014,843 10.907,844 6.105,845 8.929,846 1.217,847 10.988,848 3.464,849 6.648,850 7.98,851 3.157,852 12.694,853 6.48,854 10.308,855 1,856 12.762,857 2.762,858 8.137,859 9.839,860 4.14,861 15.338,862 7.949,863 11.712,864 0.854,865 14.563,866 2.275,867 8.938,868 10.924,869 4.543,870 17.469,871 8.717,872 13.135,873 0.628,874 16.385,875 2.03,876 10.212,877 12.571,878 5.383,879 19.951,880 9.97,881 3.17,882 0.249,883 18.221,884 1.525,885 11.196,886 13.858,887 5.912,888 22.227,889 10.926,890 3.139,891 10.929,892 20.069,893 0.555,894 12.383,895 15.411,896 6.67,897 24.649,898 12.092,899 2.658,900 10.856,901 21.926,902 4.474,903 13.452,904 16.798,905 7.263,906 26.988,907 13.135,908 2.549,909 8.12,910 23.791,911 4.077,912 14.608,913 18.31,914 7.976,915 29.389,916 14.268,917 2.356,918 7.994,919 25.663,920 3.249,921 15.716,922 19.745,923 8.602,924 31.754,925 15.352,926 2.042,927 6.882,928 27.539,929 3.076,930 16.862,931 21.24,932 9.292,933 34.146,934 16.475,935 1.876,936 5.741,937 29.42,938 2.735,939 17.989,940 22.699,941 9.936,942 36.524,943 17.578,944 13685,945 20152,946 23.868,947 40.375,948 52.975,949 53.908,950 54.251,951 52.717,952 52.638,953 66.495,954 8.192,955 154.388,956 51.073,957 5.551,958 5.771,959 6.273,960 5.214,961 5.17,962 7.474,963 3.348,964 18.278,965 5.098,966 13.24,967 1.514,968 1.54,969 1.55,970 1.506,971 1.504,972 1.9,973 0.234,974 4.411,975 1.459,976 4.099,977 4.133,978 4.055,979 4.019,980 7.427,981 4.024,982 4.014,983 4.045,984 3.961,985 3.939,986 4.983,987 3.94,988 3.792,989 3.863,990 3.683,991 3.603,992 4.721,993 3.612,994 3.574,995 3.623,996 3.481,997 3.427,998 4.44,999 3.427,1000 3.508,1001 3.559,1002 3.404,1003 3.393,1004 4.285,1005 3.391,1006 3.335,1007 3.406,1008 3.184,1009 3.194,1010 4.069,1011 3.181,1012 3.213,1013 3.313,1014 3.023,1015 2.995,1016 3.969,1017 2.989,1018 3.111,1019 3.206,1020 2.916,1021 2.942,1022 3.86,1023 2.925,1024 0.13,1025 0.108,1026 0.193,1027 0.118,1028 0.091,1029 4.551,1030 0.128,1031 3.771,1032 0.055,1033 6.743,1034 0.312,1035 4.147,1036 0.089,1037 3.17,1038 4.474,1039 1.94,1040 10.929,1041 3.098,1042 2.048,1043 2.022,1044 2.129,1045 2.147,1046 1.382,1047 2.144,1048 1.99,1049 1.962,1050 2.099,1051 2.092,1052 1.315,1053 2.096,1054 1.75,1055 1.68,1056 1.951,1057 1.962,1058 1.192,1059 1.964,1060 1.546,1061 1.497,1062 1.762,1063 1.731,1064 1.022,1065 1.741,1066 1.508,1067 1.46,1068 1.724,1069 1.655,1070 0.825,1071 1.68,1072 1.347,1073 1.28,1074 1.62,1075 1.533,1076 0.821,1077 1.566,1078 1.213,1079 1.114,1080 1.572,1081 1.476,1082 0.795,1083 1.514,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.666,1089 1.429,1090 4.263,1092 5.602,1094 7.152,1096 8.798,1098 10.493,1099 3.943,1104 7.83,1108 6.892,1112 37.649,1113 84.357,1114 195.303,1115 271.536,1116 320.265,1117 324.265,1118 324.265,1119 42.818,1120 8.395,1121 39.68,1122 39.68,1123 30,1124 12.772,1125 4.248,1126 3.392,1127 43.984,1128 148,1129 127,1130 0.145,1131 228.031,1132 392.89,1133 548.156,1134 62496,1136 21.372,1137 0.689,1138 0.596,1139 21.372,1140 18.473,1141 15.097,1142 0.431,1143 0.323,1144 11.191,1145 14.655,1146 10.86,1147 8.944,1148 15.097,1149 11.31,1150 13.728,1151 0.275,1152 0.175,1153 13.728,1154 8.743,1155 12.204,1156 0.177,1157 0.099,1158 12.204,1159 6.831,1160 10.182,1161 0.112,1162 0.055,1163 10.182,1164 5,1165 8.702,1166 0.073,1167 0.031,1168 8.702,1169 3.691,1170 0.235,1171 93.379,1172 0.205,1173 29.45,1174 0.382,1175 170,1176 396.316,1177 181.179,1178 390.619,1179 551.65,1180 370,1181 204,1182 418.552,1183 216.374,1184 426.699,1185 628.24,1186 404,1187 5.4}
{0 CHEMBL1290596,1 1.383,2 13.194,3 4.255,4 18.105,5 125.805,6 6.797,7 0.486,8 4.195,9 4.327,10 3.702,11 3.761,12 5.164,13 3.717,14 4.778,15 4.977,16 4.077,17 4.184,18 5.688,19 4.118,20 5.058,21 5.278,22 4.163,23 4.383,24 5.935,25 4.286,26 5.148,27 5.381,28 4.071,29 4.429,30 5.953,31 4.283,32 5.232,33 5.508,34 3.981,35 4.394,36 5.954,37 4.22,38 5.176,39 5.471,40 3.866,41 4.27,42 5.885,43 4.098,44 5.014,45 5.29,46 3.754,47 4.153,48 5.759,49 3.987,50 4.951,51 5.227,52 3.591,53 4.06,54 5.697,55 3.871,56 0.055,57 0.904,58 13.816,59 5.706,60 7.389,61 8.071,62 0.232,63 1.532,64 26.195,65 9.533,66 20.64,67 13.998,68 0.34,69 1.939,70 35.386,71 12.687,72 33.085,73 18.446,74 0.259,75 2.035,76 38.448,77 15.418,78 31.723,79 22.101,80 0.273,81 2.109,82 42.822,83 16.445,84 35.195,85 24.155,86 0.376,87 1.983,88 41.322,89 14.421,90 36.668,91 21.653,92 0.31,93 1.7,94 34.772,95 12.544,96 32.362,97 18.504,98 0.321,99 1.551,100 32.77,101 12.08,102 35.584,103 17.655,104 10,105 50,106 0.222,107 0.525,108 0.717,109 0.849,110 0.855,111 0.855,112 3.472,113 0.971,114 -4.36,115 -4.29,116 -4.05,117 42.6,118 2,119 3,123 5,129 7,130 4,131 2,133 2,140 1,149 12,151 8,153 1,154 3,155 15,157 1,158 6,162 3,163 14,165 1,166 7,170 2,172 11,175 8,177 1,178 4,181 8,182 1,186 1,188 1,189 5,192 2,194 1,195 3,200 4,203 4,205 1,208 8,210 1506,211 21.17,212 21.17,213 21.17,214 21.17,215 21.17,216 18.924,217 25.5,218 12.302,219 21.486,220 17.274,221 17.274,222 17.274,223 17.274,224 17.274,225 13.818,226 31.996,227 5.839,228 17.776,229 4.548,230 2.664,231 1.474,232 0.648,233 0.615,234 0.615,235 4.184,238 1,239 913,240 2.739,243 414.049,245 277.78,246 1.917,247 18.537,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 65,258 409,259 4.551,260 3.63,261 6.695,262 4.129,263 3.142,264 4.474,265 1.907,266 10.856,267 3.113,268 4.481,269 3.284,270 6.676,271 4.108,272 3.133,273 4.164,274 0.8,275 10.749,276 3.046,277 3.856,278 3.254,279 5.807,280 3.585,281 2.648,282 3.249,283 0.8,284 8.002,285 2.485,286 3.764,287 2.873,288 5.667,289 3.468,290 2.479,291 3.05,292 0.149,293 7.484,294 2.441,295 3.529,296 2.643,297 5.32,298 3.297,299 2.355,300 2.735,302 6.859,303 2.215,304 3.364,305 2.457,306 4.961,307 3.009,308 2.042,309 2.57,311 5.733,312 1.996,313 3.329,314 2.255,315 4.932,316 2.978,317 1.964,318 2.496,320 5.576,321 1.954,322 3.104,323 1.995,324 4.622,325 2.759,326 1.767,327 2.309,328 4.764,329 1.75,330 3.026,331 1.66,332 4.559,333 2.576,334 1.599,335 2.238,336 4.492,337 1.561,338 2.777,339 1.524,340 4.039,341 2.406,342 1.424,343 1.845,344 3.475,345 1.394,346 2.28,347 1.455,348 3.8,349 2.115,350 1.132,351 1.226,352 2.85,353 1.111,354 2.16,355 1.146,356 3.414,357 1.967,358 1,359 1.105,360 2.275,361 0.965,362 2,363 0.951,364 3.37,365 1.817,366 0.838,367 1,368 2.005,369 0.819,370 1.812,371 0.872,372 3.21,373 1.615,374 0.633,375 0.724,376 1.499,377 0.62,378 1.398,379 0.745,380 2.809,381 1.124,382 0.135,383 0.155,384 0.318,385 0.132,386 14.933,387 0.482,388 0.763,389 0.025,390 38.75,391 1.25,392 18.5,393 0.597,394 20.25,395 0.653,396 29.754,397 0.96,398 33.067,399 0.542,400 27.057,401 0.873,402 7.371,403 0.238,404 7.71,405 0.249,406 0.089,408 0.355,412 0.78,413 1.361,414 0.86,415 1.103,416 0.577,417 1.004,418 0.944,419 1.117,420 0.899,421 0.932,422 0.527,423 0.904,424 1.288,425 0.981,426 1.093,427 0.954,428 1.057,429 0.99,430 0.791,431 1.169,432 1.122,433 1.224,434 0.768,435 1.21,436 0.675,437 1.087,438 0.974,439 1.089,440 0.58,441 1.065,442 0.925,443 0.913,444 0.981,445 0.922,446 0.686,447 0.944,448 0.996,449 0.99,450 1.063,451 1.028,452 0.872,453 1.045,454 1.032,455 1.076,456 1.111,457 1.104,458 1.22,459 1.121,460 6,461 0.161,462 4,463 2.063,464 1.987,465 0.972,466 0.746,467 0.328,468 0.221,469 0.219,470 14757,471 31800,472 2.16,473 49.2,474 5,475 17,478 1,479 5,480 2,482 1.732,483 2.044,484 3.622,485 -0.425,487 1,488 84.357,489 1.383,490 3.266,491 4.457,492 5.283,493 5.316,494 5.316,495 2.997,496 4.672,497 4.93,498 3.814,499 1773.71,500 8.58,501 25876.5,503 1,506 361.775,507 1.332,508 4.896,509 0.171,510 0.006,511 0.08,512 0.039,513 0.043,514 0.024,515 0.021,516 0.01,517 0.008,518 0.01,519 0.413,520 0.33,521 0.88,522 0.486,523 162.877,524 0.018,525 -0.169,526 0.075,527 -0.034,528 -0.002,529 0.014,530 0.042,531 0.015,532 0.075,533 0.065,534 0.098,535 0.073,536 -0.159,537 0.107,538 -0.105,539 0.027,540 -0.093,541 -0.023,542 -0.027,543 -0.164,544 -0.17,545 -0.203,546 -0.03,547 -0.202,548 0.026,549 -0.144,550 -0.01,551 -0.095,552 0.022,553 -0.063,554 -0.022,555 0.046,556 0.011,557 0.026,558 -0.022,559 0.024,560 -0.045,561 -0.021,562 -0.076,563 -0.062,564 -0.039,565 -0.07,566 -0.014,567 -0.144,568 -0.124,569 -0.126,570 -0.095,571 -0.139,572 1.53,573 4.745,574 0.839,575 30.008,576 0.987,577 1.125,578 3.125,579 9.767,580 0.662,581 3.584,582 3.932,583 4.234,584 4.522,585 4.804,586 4.86,587 4.97,588 5.056,589 5.17,590 5.193,591 7.612,592 0.617,593 414.6,594 3.584,595 5.142,596 6.009,597 6.899,598 7.78,599 8.673,600 9.559,601 10.453,602 11.341,603 12.234,604 6.6,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,628 61,629 18,630 2,631 35,632 65,633 26,634 15,635 7,636 5,638 5,639 7,642 2,644 2,647 3,649 16,650 10,653 1,654 1,656 1,658 1,660 30,661 5,662 1,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,681 1,684 1,687 3,688 2,691 31,694 8,695 1,698 2,704 1.6,706 1,709 15.167,710 11.6,711 6.667,712 3.949,713 3.57,714 1.426,715 1.021,716 5.579,717 11.946,718 3.818,719 4.431,720 5.016,721 5.604,722 6.177,723 6.419,724 6.721,725 7.01,726 7.282,727 7.159,728 0.889,729 53,730 11.51,731 4.919,732 7.484,733 22.869,734 19.547,735 1.984,736 61.5,738 1,739 341.362,740 129.365,741 41.045,743 25.145,745 129.365,746 366.507,747 41.045,748 17.65,749 36.143,750 66.334,751 46.635,752 28.793,754 341.362,756 341.362,757 170.41,758 25.145,760 317.82,761 48.687,764 61.818,765 91.806,766 16.786,767 341.362,768 66.19,769 129.365,770 341.362,771 45.381,772 90.233,773 18.011,774 41.93,775 341.362,776 66.19,777 129.365,778 0.589,779 0.348,780 0.193,781 0.112,782 26,783 11,784 0.062,785 4,786 2,787 1.154,788 4.302,789 287.527,790 0.154,791 26,792 147.58,793 20.326,794 8.509,795 4.138,796 2.325,797 66.19,798 14.97,799 4.694,802 7.488,804 18.011,805 536.917,806 44.5,807 11.745,809 0.136,810 60.221,811 68.6,812 0.233,813 0.551,814 0.752,815 0.891,816 0.896,817 0.896,818 5.077,819 1.767,820 5.999,821 5.576,822 4.615,823 5.118,824 2.194,825 6.825,826 4.561,827 6.279,828 1.599,829 7.566,830 4.764,831 4.205,832 4.987,833 1.738,834 7.751,835 4.124,836 7.593,837 1.424,838 9.231,839 4.492,840 6.225,841 7.331,842 2.953,843 10.864,844 6.117,845 8.94,846 1.132,847 10.956,848 3.475,849 6.621,850 8.032,851 3.061,852 12.634,853 6.493,854 10.32,855 1,856 12.719,857 2.85,858 8.112,859 9.878,860 4.047,861 15.271,862 7.959,863 11.723,864 0.838,865 14.51,866 2.275,867 8.895,868 10.979,869 4.414,870 17.395,871 8.727,872 13.146,873 0.633,874 16.322,875 2.005,876 10.17,877 12.62,878 5.252,879 19.869,880 9.98,881 3.142,882 0.135,883 18.151,884 1.499,885 11.14,886 13.919,887 5.75,888 22.141,889 10.938,890 3.133,891 10.856,892 19.992,893 0.318,894 12.326,895 15.47,896 6.502,897 24.556,898 12.106,899 2.648,900 10.749,901 21.843,902 4.474,903 13.386,904 16.864,905 7.068,906 26.89,907 13.153,908 2.479,909 8.002,910 23.703,911 4.164,912 14.539,913 18.375,914 7.771,915 29.282,916 14.29,917 2.355,918 7.484,919 25.569,920 3.249,921 15.64,922 19.814,923 8.374,924 31.642,925 15.378,926 2.042,927 6.859,928 27.441,929 3.05,930 16.781,931 21.308,932 9.051,933 34.027,934 16.504,935 1.964,936 5.733,937 29.318,938 2.735,939 17.902,940 22.77,941 9.674,942 36.398,943 17.611,944 13554,945 20014,946 23.868,947 40.375,948 52.716,949 54.015,950 54.146,951 52.592,952 52.582,953 66.679,954 7.312,955 153.876,956 51.203,957 5.551,958 5.63,959 6.215,960 5.197,961 5.142,962 7.474,963 3.306,964 18.031,965 5.113,966 13.169,967 1.506,968 1.543,969 1.547,970 1.503,971 1.502,972 1.905,973 0.209,974 4.396,975 1.463,976 4.1,977 4.134,978 4.056,979 4.02,980 7.429,981 4.025,982 4.019,983 4.048,984 3.966,985 3.952,986 4.983,987 3.951,988 3.791,989 3.862,990 3.681,991 3.601,992 4.723,993 3.611,994 3.582,995 3.629,996 3.486,997 3.431,998 4.44,999 3.433,1000 3.513,1001 3.566,1002 3.408,1003 3.406,1004 4.285,1005 3.4,1006 3.339,1007 3.413,1008 3.184,1009 3.193,1010 4.068,1011 3.18,1012 3.111,1013 3.206,1014 2.964,1015 2.959,1016 3.972,1017 2.947,1018 3.11,1019 3.196,1020 2.904,1021 2.941,1022 3.852,1023 2.915,1024 0.13,1025 0.104,1026 0.191,1027 0.118,1028 0.09,1029 4.551,1030 0.128,1031 3.63,1032 0.054,1033 6.695,1034 0.31,1035 4.129,1036 0.089,1037 3.142,1038 4.474,1039 1.907,1040 10.856,1041 3.113,1042 2.048,1043 2.022,1044 2.13,1045 2.147,1046 1.391,1047 2.145,1048 1.999,1049 1.974,1050 2.106,1051 2.094,1052 1.318,1053 2.099,1054 1.749,1055 1.679,1056 1.95,1057 1.96,1058 1.19,1059 1.962,1060 1.555,1061 1.506,1062 1.777,1063 1.74,1064 1.033,1065 1.751,1066 1.518,1067 1.469,1068 1.733,1069 1.663,1070 0.872,1071 1.688,1072 1.351,1073 1.281,1074 1.636,1075 1.544,1076 0.825,1077 1.579,1078 1.153,1079 1.064,1080 1.513,1081 1.376,1082 0.803,1083 1.429,1084 1.131,1085 1.051,1086 1.463,1087 1.351,1088 0.561,1089 1.394,1090 4.263,1092 5.602,1094 7.148,1096 8.789,1098 10.478,1099 4.241,1104 7.782,1105 3.043,1108 5.075,1112 37.649,1113 84.357,1114 199.245,1115 271.885,1116 322.265,1117 324.265,1118 324.265,1119 42.658,1120 8.376,1121 48.47,1122 48.47,1123 30,1124 12.762,1125 4.248,1126 3.392,1127 43.935,1128 146,1129 127,1130 0.147,1131 228.031,1132 392.89,1133 548.156,1134 60891,1136 21.372,1137 0.689,1138 0.595,1139 21.372,1140 18.448,1141 15.081,1142 0.431,1143 0.324,1144 11.226,1145 14.674,1146 10.888,1147 8.969,1148 15.081,1149 11.332,1150 13.856,1151 0.277,1152 0.176,1153 13.856,1154 8.81,1155 11.948,1156 0.176,1157 0.1,1158 11.948,1159 6.781,1160 10.195,1161 0.112,1162 0.055,1163 10.195,1164 5.011,1165 8.789,1166 0.073,1167 0.031,1168 8.789,1169 3.707,1170 0.237,1171 93.064,1172 0.205,1173 29.402,1174 0.389,1175 170,1176 393.004,1177 180.818,1178 388.892,1179 548.58,1180 368,1181 203,1182 415.636,1183 214.209,1184 424.195,1185 623.27,1186 402,1187 5.4}
{0 CHEMBL1290597,1 1.369,2 13.281,3 4.461,4 19.9,5 130.702,6 6.697,7 0.472,8 4.237,9 4.37,10 3.734,11 3.796,12 5.197,13 3.749,14 4.828,15 5.034,16 4.113,17 4.22,18 5.709,19 4.154,20 5.095,21 5.31,22 4.23,23 4.437,24 5.982,25 4.344,26 5.219,27 5.443,28 4.138,29 4.504,30 6.056,31 4.359,32 5.317,33 5.597,34 4.033,35 4.473,36 6.024,37 4.291,38 5.251,39 5.549,40 3.918,41 4.342,42 5.941,43 4.163,44 5.086,45 5.36,46 3.8,47 4.225,48 5.826,49 4.05,50 5.063,51 5.358,52 3.651,53 4.129,54 5.763,55 3.934,56 0.056,57 0.945,58 14.705,59 6.031,60 8.255,61 8.601,62 0.264,63 1.605,64 27.987,65 9.853,66 19.664,67 14.673,68 0.333,69 2.02,70 36.818,71 13.34,72 33.03,73 19.438,74 0.308,75 2.174,76 41.515,77 16.548,78 40.439,79 23.576,80 0.292,81 2.279,82 46.574,83 18.007,84 37.626,85 26.485,86 0.391,87 2.117,88 44.381,89 15.663,90 37.317,91 23.55,92 0.313,93 1.823,94 37.227,95 13.602,96 34.492,97 20.095,98 0.372,99 1.699,100 36.887,101 13.237,102 38.521,103 19.62,104 17,105 52,106 0.218,107 0.507,108 0.72,109 0.846,110 0.851,111 0.851,112 3.502,113 0.977,114 -4.56,115 -4.48,116 -4.22,117 42.2,118 2,119 3,122 1,123 5,129 7,130 4,131 2,133 2,140 1,149 12,150 1,151 11,155 15,157 1,158 9,163 14,165 1,166 9,172 11,175 9,178 4,180 1,181 8,186 1,188 1,189 5,192 2,194 1,195 3,200 4,202 1,203 4,208 8,210 1634,211 21.723,212 21.723,213 21.723,214 21.723,215 21.723,216 19.526,217 26.126,218 12.482,219 22.089,220 17.715,221 17.715,222 17.715,223 17.715,224 17.715,225 14.287,226 32.312,227 5.875,228 18.284,229 4.631,230 2.821,231 1.479,232 0.692,233 0.66,234 0.66,235 4.212,239 944,240 2.828,243 428.747,245 287.712,246 1.934,247 18.465,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 67,258 425,259 4.551,260 3.774,261 6.821,262 4.2,263 3.218,264 4.474,265 1.94,266 11.215,267 3.162,268 4.53,269 3.284,270 6.695,271 4.108,272 3.139,273 4.192,274 0.8,275 10.856,276 3.046,277 3.945,278 3.254,279 6.151,280 3.678,281 2.705,282 3.249,283 0.8,284 8.747,285 2.632,286 3.855,287 2.874,288 5.807,289 3.572,290 2.629,291 3.227,292 0.555,293 8,294 2.467,295 3.531,296 2.652,297 5.343,298 3.302,299 2.365,300 2.735,302 6.884,303 2.217,304 3.369,305 2.552,306 5.295,307 3.011,308 2.042,309 2.596,311 6.11,312 2,313 3.329,314 2.255,315 4.961,316 2.984,317 1.978,318 2.497,320 5.732,321 1.955,322 3.127,323 2.132,324 4.742,325 2.811,326 1.818,327 2.324,328 4.922,329 1.801,330 3.027,331 1.684,332 4.56,333 2.579,334 1.602,335 2.24,336 4.496,337 1.564,338 2.779,339 1.601,340 4.05,341 2.415,342 1.431,343 1.846,344 3.489,345 1.405,346 2.389,347 1.468,348 3.999,349 2.252,350 1.275,351 1.377,352 3.227,353 1.242,354 2.251,355 1.221,356 3.414,357 1.967,358 1,359 1.164,360 2.275,361 0.965,362 2,363 1.146,364 3.395,365 1.847,366 0.868,367 1,368 2.051,369 0.848,370 1.943,371 0.925,372 3.331,373 1.712,374 0.731,375 0.853,376 1.761,377 0.715,378 1.612,379 0.834,380 2.932,381 1.326,382 0.309,383 0.363,384 0.714,385 0.311,386 15.433,387 0.482,388 0.836,389 0.026,390 39.5,391 1.234,392 18.5,393 0.578,394 21,395 0.656,396 31.963,397 0.999,398 34.367,399 0.537,400 28.413,401 0.888,402 7.536,403 0.235,404 7.972,405 0.249,406 0.119,408 0.369,412 0.754,413 1.439,414 0.868,415 1.155,416 0.575,417 1.041,418 1.044,419 1.051,420 0.891,421 0.86,422 0.558,423 0.848,424 1.265,425 0.998,426 1.07,427 0.968,428 1.004,429 0.988,430 1.028,431 1.19,432 1.195,433 1.248,434 1.173,435 1.246,436 0.656,437 1.088,438 0.98,439 1.097,440 0.572,441 1.073,442 0.896,443 0.906,444 0.964,445 0.917,446 0.653,447 0.935,448 0.966,449 1.065,450 1.095,451 1.097,452 0.876,453 1.104,454 1.037,455 0.949,456 1.016,457 0.961,458 1.125,459 0.987,460 6,461 0.174,462 4.667,463 2.375,464 2.218,465 1.146,466 0.746,467 0.391,468 0.27,469 0.229,470 15802,471 33281,472 2.135,473 50,474 5,475 20,479 5,480 2,482 1.74,483 2,484 3.637,485 -0.836,488 87.618,489 1.369,490 3.179,491 4.521,492 5.308,493 5.34,494 5.34,495 3.018,496 4.688,497 4.977,498 3.832,499 1900.46,500 8.673,501 28318.1,503 1,506 384,507 1.406,508 4.933,509 0.167,510 0.007,511 0.09,512 0.042,513 0.045,514 0.027,515 0.02,516 0.012,517 0.01,518 0.009,519 0.427,520 0.33,521 0.88,522 0.531,523 169.669,524 0.051,525 -0.239,526 0.084,527 -0.071,529 -0.006,530 0.021,531 0.094,532 0.103,533 0.13,534 0.068,535 0.127,536 -0.129,537 0.104,538 -0.077,539 0.025,540 -0.037,541 -0.011,542 -0.089,543 -0.174,544 -0.228,545 -0.22,546 -0.1,547 -0.238,548 0.027,549 -0.145,550 -0.019,551 -0.101,552 0.017,553 -0.071,554 -0.012,555 0.048,556 0.023,557 0.033,558 -0.007,559 0.033,560 -0.037,561 -0.092,562 -0.113,563 -0.126,564 -0.051,565 -0.126,566 -0.004,567 -0.029,568 -0.024,569 -0.003,570 -0.057,571 -0.016,572 1.442,573 5.113,574 0.813,575 31.063,576 0.986,577 1.125,578 3.326,579 11.066,580 0.658,581 3.611,582 3.97,583 4.29,584 4.564,585 4.844,586 4.92,587 5.024,588 5.106,589 5.209,590 5.247,591 7.723,592 0.612,593 428.63,594 3.611,595 5.176,596 6.052,597 6.946,598 7.836,599 8.733,600 9.626,601 10.525,602 11.42,603 12.318,604 6.3,605 1,608 1,609 1,612 1,613 2,614 7,615 1,618 6,620 17,625 1,628 64,629 18,630 2,631 36,632 68,633 27,634 15,635 7,636 5,638 5,639 7,642 2,644 2,647 3,649 16,650 11,653 1,654 1,656 1,660 32,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,684 1,687 3,688 3,691 32,694 8,698 3,704 1.6,706 1,709 16,710 12.55,711 6.889,712 4.124,713 3.574,714 1.422,715 1.01,716 5.814,717 12.034,718 3.839,719 4.454,720 5.055,721 5.629,722 6.2,723 6.457,724 6.758,725 7.035,726 7.302,727 7.193,728 0.889,729 57,730 11.89,731 5.064,732 7.469,733 23.651,734 20.163,735 1.969,736 63,739 376.675,740 137.761,741 26.158,743 25.145,745 137.761,746 401.82,747 26.158,748 26.047,749 21.256,750 66.334,751 46.635,752 28.793,754 376.675,756 376.675,757 163.92,758 25.145,760 353.133,761 48.687,764 46.932,765 100.202,766 16.786,767 376.675,768 51.303,769 137.761,770 376.675,771 45.381,772 101.753,774 41.93,775 376.675,776 51.303,777 137.761,778 0.593,779 0.359,780 0.193,781 0.11,782 27,783 12,784 0.059,785 4,786 2,787 1.154,788 4.329,789 302.181,790 0.154,791 26,792 154,793 21.271,794 8.746,795 4.12,796 2.328,797 51.303,798 15.072,799 4.701,802 7.642,805 565.74,806 45.5,807 12.113,809 0.224,810 63.105,811 72.015,812 0.228,813 0.53,814 0.754,815 0.885,816 0.89,817 0.89,818 5.107,819 1.818,820 6.052,821 5.732,822 4.654,823 5.142,824 2.263,825 6.899,826 4.595,827 6.314,828 1.602,829 7.637,830 4.922,831 4.29,832 5.027,833 1.803,834 7.872,835 4.193,836 7.633,837 1.431,838 9.321,839 4.496,840 6.286,841 7.357,842 3.014,843 10.995,844 6.166,845 8.986,846 1.275,847 11.065,848 3.489,849 6.735,850 8.074,851 3.157,852 12.796,853 6.582,854 10.373,855 1,856 12.846,857 3.227,858 8.206,859 9.907,860 4.14,861 15.449,862 8.032,863 11.783,864 0.868,865 14.653,866 2.275,867 9.029,868 11.018,869 4.543,870 17.593,871 8.83,872 13.212,873 0.731,874 16.48,875 2.051,876 10.297,877 12.652,878 5.383,879 20.085,880 10.077,881 3.218,882 0.309,883 18.322,884 1.761,885 11.296,886 13.954,887 5.912,888 22.375,889 11.055,890 3.139,891 11.215,892 20.175,893 0.714,894 12.484,895 15.501,896 6.67,897 24.809,898 12.223,899 2.705,900 10.856,901 22.038,902 4.474,903 13.564,904 16.896,905 7.263,906 27.161,907 13.285,908 2.629,909 8.747,910 23.908,911 4.192,912 14.724,913 18.406,914 7.976,915 29.575,916 14.425,917 2.365,918 8,919 25.785,920 3.249,921 15.842,922 19.845,923 8.602,924 31.955,925 15.525,926 2.042,927 6.884,928 27.666,929 3.227,930 16.994,931 21.338,932 9.292,933 34.361,934 16.657,935 1.978,936 6.11,937 29.552,938 2.735,939 18.13,940 22.8,941 9.936,942 36.754,943 17.775,944 14588,945 21285,946 24.274,947 42.137,948 54.563,949 55.719,950 56.328,951 54.279,952 54.221,953 68.275,954 8.192,955 160.96,956 52.659,957 5.551,958 5.774,959 6.341,960 5.267,961 5.218,962 7.474,963 3.348,964 18.696,965 5.162,966 15.397,967 1.516,968 1.548,969 1.565,970 1.508,971 1.506,972 1.897,973 0.228,974 4.471,975 1.463,976 4.101,977 4.136,978 4.057,979 4.021,980 7.427,981 4.026,982 4.026,983 4.055,984 3.976,985 3.957,986 4.983,987 3.957,988 3.793,989 3.864,990 3.683,991 3.603,992 4.712,993 3.612,994 3.604,995 3.652,996 3.512,997 3.447,998 4.44,999 3.453,1000 3.514,1001 3.567,1002 3.409,1003 3.409,1004 4.285,1005 3.402,1006 3.344,1007 3.418,1008 3.188,1009 3.198,1010 4.104,1011 3.185,1012 3.219,1013 3.318,1014 3.026,1015 3.01,1016 3.972,1017 3,1018 3.111,1019 3.206,1020 2.919,1021 2.946,1022 3.861,1023 2.929,1024 0.126,1025 0.105,1026 0.189,1027 0.117,1028 0.089,1029 4.551,1030 0.124,1031 3.774,1032 0.054,1033 6.821,1034 0.312,1035 4.2,1036 0.088,1037 3.218,1038 4.474,1039 1.94,1040 11.215,1041 3.162,1042 2.048,1043 2.022,1044 2.13,1045 2.148,1046 1.397,1047 2.145,1048 2.004,1049 1.979,1050 2.109,1051 2.1,1052 1.322,1053 2.104,1054 1.75,1055 1.68,1056 1.952,1057 1.962,1058 1.192,1059 1.964,1060 1.572,1061 1.523,1062 1.791,1063 1.76,1064 1.038,1065 1.77,1066 1.519,1067 1.47,1068 1.733,1069 1.663,1070 0.873,1071 1.689,1072 1.357,1073 1.287,1074 1.641,1075 1.549,1076 0.825,1077 1.584,1078 1.225,1079 1.128,1080 1.585,1081 1.483,1082 0.803,1083 1.524,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.693,1089 1.429,1090 4.29,1092 5.638,1094 7.195,1096 8.848,1098 10.55,1099 6.162,1104 7.833,1108 6.924,1112 39.176,1113 87.618,1114 203.481,1115 289.355,1116 339.735,1117 341.735,1118 341.735,1119 45.583,1120 8.46,1121 39.68,1122 39.68,1123 30,1124 12.842,1125 4.248,1126 3.392,1127 46.024,1128 153,1129 136,1130 0.147,1131 237.624,1132 410.19,1133 571.561,1134 67085,1136 22.242,1137 0.695,1138 0.606,1139 22.242,1140 19.395,1141 15.508,1142 0.431,1143 0.326,1144 11.607,1145 15.066,1146 11.207,1147 9.254,1148 15.508,1149 11.727,1150 14.255,1151 0.274,1152 0.177,1153 14.255,1154 9.187,1155 12.685,1156 0.176,1157 0.1,1158 12.685,1159 7.204,1160 10.509,1161 0.111,1162 0.055,1163 10.509,1164 5.272,1165 8.936,1166 0.071,1167 0.031,1168 8.936,1169 3.865,1170 0.237,1171 95.843,1172 0.203,1173 30.125,1174 0.389,1175 176,1176 404.316,1177 187.179,1178 399.191,1179 564.68,1180 378,1181 212,1182 429.552,1183 224.374,1184 438.957,1185 646.4,1186 415,1187 6.1}
{0 CHEMBL1290715,1 1.409,2 13.167,3 3.746,4 14.03,5 121.932,6 7.117,7 0.5,8 4.12,9 4.247,10 3.669,11 3.7,12 5.137,13 3.666,14 4.68,15 4.865,16 4.035,17 4.111,18 5.658,19 4.056,20 4.96,21 5.179,22 4.1,23 4.295,24 5.869,25 4.205,26 5.029,27 5.262,28 3.993,29 4.317,30 5.857,31 4.179,32 5.082,33 5.352,34 3.891,35 4.266,36 5.85,37 4.106,38 4.993,39 5.27,40 3.774,41 4.137,42 5.763,43 3.977,44 4.852,45 5.122,46 3.643,47 4.008,48 5.631,49 3.854,50 4.733,51 4.995,52 3.515,53 3.912,54 5.509,55 3.746,56 0.042,57 0.829,58 11.928,59 5.059,60 7.178,61 6.965,62 0.209,63 1.405,64 22.636,65 8.341,66 22.093,67 11.903,68 0.304,69 1.778,70 31.258,71 11.334,72 32.362,73 16.128,74 0.216,75 1.821,76 33.553,77 13.635,78 29.715,79 19.342,80 0.252,81 1.856,82 36.914,83 14.164,84 35.683,85 20.525,86 0.284,87 1.704,88 34.123,89 12.532,90 35.142,91 18.286,92 0.292,93 1.485,94 29.627,95 10.631,96 33.539,97 15.401,98 0.246,99 1.311,100 25.95,101 9.781,102 27.646,103 14.151,104 5,105 48,106 0.229,107 0.564,108 0.731,109 0.851,110 0.862,111 0.862,112 3.44,113 0.937,114 -4.08,115 -4.02,116 -3.81,117 44.6,118 1,119 1,123 5,128 2,129 8,130 3,131 2,133 2,140 1,149 11,151 8,153 1,154 3,155 13,157 1,158 6,162 3,163 11,165 1,166 7,170 2,172 10,175 7,178 3,181 8,182 1,186 1,188 1,189 4,192 2,194 1,195 2,200 4,203 4,205 1,208 8,210 1376,211 20.67,212 20.67,213 20.67,214 20.67,215 20.67,216 18.371,217 25.439,218 12.128,219 20.986,220 16.807,221 16.807,222 16.807,223 16.807,224 16.807,225 13.246,226 35.162,227 5.768,228 17.308,229 4.398,230 2.347,231 1.321,232 0.585,233 0.513,234 0.513,235 4.156,238 1,239 886,240 2.646,243 400.254,245 268.055,246 1.956,247 17.322,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 63,258 395,259 4.551,260 3.505,261 6.695,262 4.109,263 3.139,264 4.474,265 1.058,266 10.856,267 3.046,268 4.416,269 3.28,270 6.518,271 4.045,272 3.056,273 4.076,274 0.8,275 10.25,276 3.024,277 3.856,278 3.068,279 5.807,280 3.584,281 2.647,282 3.249,283 0.8,284 8.002,285 2.475,286 3.695,287 2.866,288 5.378,289 3.374,290 2.408,291 2.958,293 6.98,294 2.348,295 3.529,296 2.64,297 5.267,298 3.27,299 2.294,300 2.735,302 6.616,303 2.207,304 3.349,305 2.276,306 4.961,307 3.007,308 2.041,309 2.551,311 5.733,312 1.969,313 3.244,314 2.205,315 4.809,316 2.864,317 1.866,318 2.438,320 5.274,321 1.851,322 3.028,323 1.652,324 4.559,325 2.576,326 1.599,327 2.243,328 4.493,329 1.562,330 2.962,331 1.573,332 4.189,333 2.516,334 1.515,335 2.109,336 3.793,337 1.514,338 2.776,339 1.476,340 4.035,341 2.398,342 1.417,343 1.843,344 3.463,345 1.386,346 2.512,347 1.182,348 3.451,349 2.031,350 1.049,351 1.368,352 2.412,353 1.028,354 2.256,355 1.146,356 3.414,357 1.967,358 1,359 1.159,360 2.275,361 0.965,362 2,363 0.899,364 3.364,365 1.817,366 0.838,367 1,368 1.999,369 0.819,370 1.806,371 0.779,372 3.154,373 1.556,374 0.575,375 0.68,376 1.375,377 0.563,378 1.3,379 0.592,380 2.645,381 0.852,382 -0.136,383 -0.158,384 -0.338,385 -0.133,386 14.433,387 0.481,388 0.674,389 0.022,390 39.75,391 1.325,392 20,393 0.667,394 19.75,395 0.658,396 25.121,397 0.837,398 31.167,399 0.557,400 28.151,401 0.938,402 7.811,403 0.26,404 6.859,405 0.229,406 0.058,408 0.333,412 0.777,413 1.322,414 0.811,415 1.051,416 0.571,417 0.95,418 0.978,419 1.132,420 0.916,421 0.935,422 0.517,423 0.91,424 1.198,425 0.958,426 1.064,427 0.931,428 0.878,429 0.966,430 0.696,431 1.129,432 1.066,433 1.185,434 0.628,435 1.168,436 0.738,437 1.024,438 0.982,439 1.048,440 0.631,441 1.04,442 0.835,443 1.003,444 1.005,445 1.024,446 0.712,447 1.027,448 1.078,449 0.955,450 1.082,451 0.987,452 1.004,453 1.026,454 0.836,455 1.075,456 1.105,457 1.116,458 0.834,459 1.135,460 5.5,461 0.128,462 3.556,463 1.75,464 1.716,465 0.833,466 0.584,467 0.313,468 0.2,469 0.199,470 13872,471 31828,472 2.186,473 46.4,475 20,478 1,479 3,480 2,482 1.722,483 2.093,484 3.631,485 -0.415,487 1,488 78.904,489 1.409,490 3.46,491 4.486,492 5.222,493 5.294,494 5.294,495 3.023,496 4.548,497 4.882,498 3.815,499 1659.61,500 8.478,501 23764.6,503 1,506 325.212,507 1.231,508 4.859,509 0.162,510 0.006,511 0.074,512 0.035,513 0.04,514 0.022,515 0.018,516 0.011,517 0.008,518 0.009,519 0.384,520 0.5,521 0.88,522 0.424,523 156.398,524 0.006,525 -0.174,526 0.072,527 -0.037,528 -0.012,529 0.012,530 0.013,531 -0.007,532 0.027,533 0.029,534 0.109,535 0.031,536 -0.146,537 0.111,538 -0.097,539 0.031,540 -0.042,541 -0.016,542 0.01,543 -0.152,544 -0.12,545 -0.178,546 0.011,547 -0.166,548 0.001,549 -0.084,550 -0.004,551 -0.055,552 0.005,553 -0.034,554 0.01,555 -0.05,556 -0.011,557 -0.051,558 -0.015,559 -0.036,560 -0.082,561 0.014,562 -0.082,563 -0.023,564 -0.113,565 -0.049,566 0.02,567 -0.121,568 -0.123,569 -0.132,570 -0.059,571 -0.143,572 1.713,573 4.574,574 0.867,575 29.209,576 0.99,577 1.121,578 2.847,579 8.105,580 0.676,581 3.555,582 3.892,583 4.19,584 4.477,585 4.754,586 4.796,587 4.898,588 5.011,589 5.118,590 5.136,591 7.585,592 0.636,593 398.55,594 3.555,595 5.106,596 5.969,597 6.853,598 7.73,599 8.617,600 9.498,601 10.387,602 11.269,603 12.158,604 7.1,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,628 56,629 19,630 2,631 34,632 60,633 25,634 15,635 6,636 6,637 3,638 5,639 7,642 1,647 1,649 18,650 7,653 2,654 1,655 2,656 1,658 1,660 26,661 5,662 1,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,681 1,683 2,684 1,687 3,688 1,691 30,694 6,695 1,698 2,704 1.8,706 1,709 14.333,710 10.35,711 6.472,712 3.525,713 3.909,714 1.471,715 1.033,716 5.179,717 12.216,718 3.818,719 4.419,720 5.022,721 5.618,722 6.196,723 6.45,724 6.756,725 7.077,726 7.355,727 7.217,728 0.889,729 50,730 11.104,731 4.752,732 7.528,733 21.876,734 18.563,735 2.028,736 60.833,738 1,739 294.278,740 140.714,741 41.045,743 25.145,745 140.714,746 319.422,747 41.045,748 8.825,749 31.074,750 94.762,751 46.635,752 25.607,754 294.278,756 294.278,757 181.759,758 25.145,760 270.735,761 48.687,764 47.924,765 98.097,766 35.738,767 294.278,768 66.19,769 140.714,770 294.278,771 37.126,772 109.836,773 18.011,774 41.93,775 294.278,776 66.19,777 140.714,778 0.584,779 0.344,780 0.193,781 0.111,782 25,783 10,784 0.067,785 4,786 2,787 1.154,788 4.277,789 272.868,790 0.154,791 26,792 141.207,793 19.139,794 8.117,795 3.957,796 2.31,797 66.19,798 16.889,799 4.68,802 5.709,804 18.011,805 501.181,806 44.5,807 11.574,808 3.558,809 -0.047,810 55.454,811 62.77,812 0.243,813 0.596,814 0.773,815 0.899,816 0.912,817 0.912,818 5.064,819 1.599,820 5.948,821 5.274,822 4.575,823 5.106,824 1.641,825 6.76,826 4.519,827 6.262,828 1.515,829 7.503,830 4.493,831 4.111,832 4.89,833 0.57,834 7.653,835 4.022,836 7.566,837 1.417,838 9.156,839 3.793,840 6.168,841 7.31,842 1.488,843 10.764,844 6.053,845 8.905,846 1.049,847 10.87,848 3.463,849 6.524,850 7.949,851 0.479,852 12.512,853 6.381,854 10.277,855 1,856 12.624,857 2.412,858 8.036,859 9.839,860 1.47,861 15.137,862 7.87,863 11.673,864 0.838,865 14.406,866 2.275,867 8.79,868 10.906,869 0.346,870 17.243,871 8.601,872 13.089,873 0.575,874 16.21,875 1.999,876 10.073,877 12.568,878 1.501,879 19.702,880 9.862,881 3.139,882 -0.136,883 18.029,884 1.375,885 11.022,886 13.848,887 0.237,888 21.958,889 10.792,890 3.056,891 10.856,892 19.862,893 -0.338,894 12.208,895 15.408,896 1.556,897 24.357,898 11.957,899 2.647,900 10.25,901 21.706,902 4.474,903 13.251,904 16.792,905 0.158,906 26.676,907 12.982,908 2.408,909 8.002,910 23.557,911 4.076,912 14.398,913 18.307,914 1.626,915 29.054,916 14.109,917 2.294,918 6.98,919 25.416,920 3.249,921 15.486,922 19.741,923 0.104,924 31.4,925 15.178,926 2.041,927 6.616,928 27.28,929 2.958,930 16.62,931 21.237,932 1.706,933 33.771,934 16.291,935 1.866,936 5.733,937 29.149,938 2.735,939 17.729,940 22.697,941 0.068,942 36.129,943 17.381,944 12673,945 19328,946 23.463,947 37.853,948 51.313,949 52.136,950 52.144,951 50.888,952 50.891,953 65.767,954 5.317,955 147.041,956 49.511,957 5.551,958 5.505,959 6.232,960 5.176,961 5.139,962 7.474,963 2.117,964 18.031,965 5.046,966 10.734,967 1.509,968 1.533,969 1.534,970 1.497,971 1.497,972 1.934,973 0.156,974 4.325,975 1.456,976 4.097,977 4.131,978 4.055,979 4.018,980 7.43,981 4.023,982 4.006,983 4.033,984 3.959,985 3.938,986 4.983,987 3.939,988 3.791,989 3.861,990 3.683,991 3.602,992 4.768,993 3.612,994 3.543,995 3.591,996 3.459,997 3.421,998 4.441,999 3.418,1000 3.498,1001 3.541,1002 3.401,1003 3.376,1004 4.287,1005 3.38,1006 3.327,1007 3.395,1008 3.18,1009 3.188,1010 4.175,1011 3.176,1012 3.111,1013 3.206,1014 2.958,1015 2.954,1016 3.981,1017 2.942,1018 3.089,1019 3.163,1020 2.866,1021 2.941,1022 3.875,1023 2.91,1024 0.134,1025 0.103,1026 0.197,1027 0.121,1028 0.092,1029 4.551,1030 0.132,1031 3.505,1032 0.031,1033 6.695,1034 0.319,1035 4.109,1036 0.09,1037 3.139,1038 4.474,1039 1.058,1040 10.856,1041 3.046,1042 2.048,1043 2.022,1044 2.128,1045 2.147,1046 1.362,1047 2.144,1048 1.983,1049 1.959,1050 2.08,1051 2.076,1052 1.26,1053 2.078,1054 1.748,1055 1.679,1056 1.945,1057 1.957,1058 1.167,1059 1.958,1060 1.529,1061 1.482,1062 1.737,1063 1.691,1064 0.911,1065 1.704,1066 1.478,1067 1.44,1068 1.672,1069 1.638,1070 0.825,1071 1.653,1072 1.337,1073 1.272,1074 1.58,1075 1.514,1076 0.804,1077 1.54,1078 1.153,1079 1.064,1080 1.513,1081 1.376,1082 0.619,1083 1.429,1084 1.112,1085 1.04,1086 1.424,1087 1.303,1088 0.48,1089 1.349,1090 4.234,1092 5.565,1094 7.102,1096 8.736,1098 10.417,1099 2.04,1104 6.17,1105 2.929,1108 5.021,1112 35.595,1113 78.904,1114 193.78,1115 251.238,1116 292.457,1117 296.457,1118 296.457,1119 38.193,1120 8.306,1121 52.23,1122 52.23,1123 30,1124 12.689,1125 4.322,1126 3.524,1127 41.934,1128 141,1129 122,1130 0.146,1131 215.511,1132 372.95,1133 517.608,1134 56332,1136 20.501,1137 0.683,1138 0.576,1139 20.501,1140 17.266,1141 14.67,1142 0.431,1143 0.312,1144 10.513,1145 14.263,1146 10.251,1147 8.444,1148 14.67,1149 10.619,1150 13.328,1151 0.278,1152 0.168,1153 13.328,1154 8.076,1155 11.467,1156 0.176,1157 0.094,1158 11.467,1159 6.114,1160 9.877,1161 0.114,1162 0.051,1163 9.877,1164 4.478,1165 8.492,1166 0.074,1167 0.029,1168 8.492,1169 3.295,1170 0.235,1171 90.6,1172 0.206,1173 28.716,1174 0.382,1175 164,1176 395.004,1177 174.818,1178 391.459,1179 551.47,1180 370,1181 195,1182 417.636,1183 206.209,1184 426.256,1185 626.12,1186 404,1187 4.5}
{0 CHEMBL1290716,1 1.394,2 13.258,3 3.952,4 15.614,5 126.829,6 6.993,7 0.486,8 4.166,9 4.293,10 3.702,11 3.737,12 5.171,13 3.7,14 4.734,15 4.929,16 4.072,17 4.15,18 5.678,19 4.095,20 5.001,21 5.214,22 4.172,23 4.354,24 5.921,25 4.268,26 5.107,27 5.332,28 4.064,29 4.398,30 5.973,31 4.26,32 5.166,33 5.437,34 3.946,35 4.347,36 5.922,37 4.18,38 5.066,39 5.344,40 3.812,41 4.206,42 5.821,43 4.038,44 4.934,45 5.213,46 3.683,47 4.066,48 5.687,49 3.903,50 4.807,51 5.08,52 3.577,53 3.967,54 5.554,55 3.804,56 0.043,57 0.871,58 12.839,59 5.397,60 7.779,61 7.518,62 0.244,63 1.481,64 24.563,65 8.69,66 20.912,67 12.623,68 0.295,69 1.856,70 32.643,71 11.959,72 31.359,73 17.109,74 0.268,75 1.956,76 36.567,77 14.732,78 38.939,79 20.742,80 0.267,81 2.004,82 40.091,83 15.499,84 37.343,85 22.529,86 0.295,87 1.818,88 36.649,89 13.572,90 35.824,91 19.875,92 0.303,93 1.589,94 32.336,95 11.636,96 34.923,97 17.015,98 0.283,99 1.404,100 28.258,101 10.303,102 28.22,103 15.1,104 10,105 50,106 0.225,107 0.545,108 0.734,109 0.846,110 0.857,111 0.857,112 3.472,113 0.944,114 -4.28,115 -4.22,116 -3.98,117 44.1,118 1,119 1,122 1,123 5,128 2,129 8,130 3,131 2,133 2,140 1,149 11,150 1,151 11,155 13,157 1,158 9,163 11,165 1,166 9,172 10,175 7,178 3,180 1,181 8,186 1,188 1,189 4,192 2,194 1,195 2,200 4,202 1,203 4,208 8,210 1504,211 21.223,212 21.223,213 21.223,214 21.223,215 21.223,216 18.973,217 26.056,218 12.309,219 21.589,220 17.248,221 17.248,222 17.248,223 17.248,224 17.248,225 13.717,226 35.168,227 5.804,228 17.817,229 4.488,230 2.507,231 1.334,232 0.636,233 0.568,234 0.568,235 4.184,238 1,239 917,240 2.739,243 414.951,245 277.987,246 1.975,247 17.434,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 65,258 411,259 4.551,260 3.671,261 6.743,262 4.147,263 3.17,264 4.474,265 1.2,266 10.929,267 3.098,268 4.489,269 3.28,270 6.695,271 4.108,272 3.139,273 4.12,274 0.8,275 10.856,276 3.046,277 3.861,278 3.071,279 5.935,280 3.601,281 2.658,282 3.249,283 0.8,284 8.12,285 2.529,286 3.834,287 2.868,288 5.807,289 3.525,290 2.549,291 3.115,292 0.293,293 7.994,294 2.456,295 3.53,296 2.645,297 5.33,298 3.296,299 2.356,300 2.735,302 6.882,303 2.214,304 3.351,305 2.401,306 5.041,307 3.008,308 2.042,309 2.559,311 5.741,312 1.969,313 3.276,314 2.249,315 4.959,316 2.879,317 1.876,318 2.455,320 5.527,321 1.869,322 3.031,323 1.676,324 4.56,325 2.588,326 1.608,327 2.245,328 4.497,329 1.575,330 2.981,331 1.628,332 4.343,333 2.547,334 1.555,335 2.127,336 4.036,337 1.54,338 2.779,339 1.479,340 4.035,341 2.399,342 1.418,343 1.847,344 3.464,345 1.387,346 2.628,347 1.429,348 3.652,349 2.199,350 1.217,351 1.582,352 2.762,353 1.192,354 2.256,355 1.146,356 3.414,357 1.967,358 1,359 1.166,360 2.275,361 0.965,362 2,363 0.958,364 3.375,365 1.832,366 0.854,367 1,368 2.03,369 0.834,370 1.842,371 0.897,372 3.234,373 1.604,374 0.628,375 0.715,376 1.525,377 0.612,378 1.796,379 0.723,380 2.804,381 1.273,382 0.249,383 0.352,384 0.555,385 0.252,386 14.933,387 0.482,388 0.747,389 0.024,390 40.5,391 1.306,392 20,393 0.645,394 20.5,395 0.661,396 27.102,397 0.874,398 32.467,399 0.55,400 29.616,401 0.955,402 7.976,403 0.257,404 7.122,405 0.23,406 0.089,408 0.348,412 0.75,413 1.406,414 0.82,415 1.108,416 0.568,417 0.991,418 1.079,419 1.059,420 0.903,421 0.855,422 0.551,423 0.846,424 1.172,425 0.977,426 1.038,427 0.946,428 0.822,429 0.964,430 0.945,431 1.143,432 1.138,433 1.201,434 1.057,435 1.197,436 0.719,437 1.036,438 0.992,439 1.065,440 0.623,441 1.056,442 0.819,443 1.026,444 1.021,445 1.051,446 0.71,447 1.052,448 1.021,449 0.968,450 1.039,451 0.981,452 0.969,453 1.005,454 0.912,455 0.988,456 1.058,457 1.008,458 0.795,459 1.039,460 5.5,461 0.14,462 4.222,463 2.063,464 1.947,465 0.951,466 0.584,467 0.375,468 0.25,469 0.209,470 14897,471 33301,472 2.16,473 47.5,475 23,479 3,480 2,482 1.731,483 2.044,484 3.646,485 -0.831,487 1,488 82.259,489 1.394,490 3.376,491 4.548,492 5.247,493 5.315,494 5.315,495 3.042,496 4.736,497 4.931,498 3.833,499 1782.43,500 8.575,501 26118.4,503 1,506 347.076,507 1.332,508 4.896,509 0.157,510 0.006,511 0.084,512 0.038,513 0.042,514 0.024,515 0.017,516 0.013,517 0.009,518 0.009,519 0.399,520 0.33,521 0.88,522 0.486,523 163.194,524 0.041,525 -0.247,526 0.083,527 -0.077,528 -0.007,529 -0.01,530 -0.008,531 0.082,532 0.063,533 0.106,534 0.077,535 0.097,536 -0.116,537 0.106,538 -0.069,539 0.026,540 0.016,541 -0.006,542 -0.059,543 -0.156,544 -0.182,545 -0.19,546 -0.073,547 -0.2,548 0.002,549 -0.094,550 -0.021,551 -0.071,552 0.002,553 -0.052,554 0.01,555 -0.072,556 -0.035,557 -0.078,558 -0.022,559 -0.064,560 -0.046,561 -0.009,562 -0.04,563 -0.017,564 -0.092,565 -0.027,566 0.002,567 -0.022,568 -0.069,569 -0.038,570 -0.039,571 -0.057,572 1.625,573 4.942,574 0.839,575 30.177,576 0.989,577 1.122,578 3.051,579 9.311,580 0.671,581 3.584,582 3.932,583 4.248,584 4.522,585 4.796,586 4.844,587 4.956,588 5.056,589 5.159,590 5.187,591 7.708,592 0.629,593 412.58,594 3.584,595 5.142,596 6.014,597 6.903,598 7.788,599 8.68,600 9.569,601 10.462,602 11.352,603 12.245,604 6.8,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,628 59,629 19,630 2,631 35,632 63,633 26,634 15,635 6,636 6,637 3,638 5,639 7,642 1,647 1,649 18,650 8,653 2,654 1,655 2,656 1,658 1,660 28,661 5,663 5,666 4,667 0.6,668 1,672 1,677 5,679 2,682 1,683 2,684 1,687 3,688 2,691 31,694 6,698 3,704 1.7,706 1,709 15.167,710 11.3,711 6.694,712 3.7,713 3.924,714 1.467,715 1.021,716 5.412,717 12.319,718 3.839,719 4.443,720 5.061,721 5.647,722 6.224,723 6.483,724 6.802,725 7.105,726 7.385,727 7.264,728 0.889,729 54,730 11.484,731 4.897,732 7.511,733 22.658,734 19.179,735 2.011,736 62.333,738 1,739 329.591,740 149.11,741 26.158,743 25.145,745 149.11,746 354.736,747 26.158,748 17.222,749 16.187,750 94.762,751 46.635,752 25.607,754 329.591,756 329.591,757 175.269,758 25.145,760 306.049,761 48.687,764 33.038,765 106.493,766 35.738,767 329.591,768 51.303,769 149.11,770 329.591,771 37.126,772 121.357,774 41.93,775 329.591,776 51.303,777 149.11,778 0.589,779 0.355,780 0.194,781 0.109,782 26,783 11,784 0.063,785 4,786 2,787 1.154,788 4.304,789 287.153,790 0.154,791 26,792 147.58,793 20.081,794 8.355,795 3.926,796 2.313,797 51.303,798 17.01,799 4.687,802 5.852,805 530.005,806 45.5,807 11.942,808 3.645,809 0.041,810 58.338,811 66.185,812 0.237,813 0.574,814 0.773,815 0.892,816 0.903,817 0.903,818 5.095,819 1.608,820 6.004,821 5.527,822 4.615,823 5.13,824 1.758,825 6.838,826 4.553,827 6.298,828 1.555,829 7.578,830 4.497,831 4.205,832 4.934,833 0.766,834 7.786,835 4.098,836 7.607,837 1.418,838 9.253,839 4.036,840 6.232,841 7.336,842 1.696,843 10.907,844 6.105,845 8.952,846 1.217,847 10.988,848 3.464,849 6.648,850 7.995,851 0.931,852 12.694,853 6.48,854 10.332,855 1,856 12.762,857 2.762,858 8.137,859 9.871,860 1.83,861 15.338,862 7.949,863 11.735,864 0.854,865 14.563,866 2.275,867 8.938,868 10.948,869 1.142,870 17.469,871 8.717,872 13.159,873 0.628,874 16.385,875 2.03,876 10.212,877 12.602,878 2.038,879 19.951,880 9.97,881 3.17,882 0.249,883 18.221,884 1.525,885 11.196,886 13.888,887 1.436,888 22.227,889 10.926,890 3.139,891 10.929,892 20.069,893 0.555,894 12.383,895 15.444,896 2.286,897 24.649,898 12.092,899 2.658,900 10.856,901 21.926,902 4.474,903 13.452,904 16.831,905 1.783,906 26.988,907 13.135,908 2.549,909 8.12,910 23.791,911 4.12,912 14.608,913 18.343,914 2.561,915 29.389,916 14.268,917 2.356,918 7.994,919 25.663,920 3.249,921 15.716,922 19.779,923 2.156,924 31.754,925 15.352,926 2.042,927 6.882,928 27.539,929 3.115,930 16.862,931 21.273,932 2.856,933 34.146,934 16.475,935 1.876,936 5.741,937 29.42,938 2.735,939 17.989,940 22.733,941 2.541,942 36.524,943 17.578,944 13685,945 20584,946 23.868,947 39.614,948 53.414,949 53.934,950 54.251,951 52.717,952 52.638,953 67.477,954 6.186,955 154.388,956 51.073,957 5.551,958 5.671,959 6.273,960 5.214,961 5.17,962 7.474,963 2.293,964 18.278,965 5.098,966 13.24,967 1.526,968 1.541,969 1.55,970 1.506,971 1.504,972 1.928,973 0.177,974 4.411,975 1.459,976 4.099,977 4.133,978 4.056,979 4.019,980 7.429,981 4.024,982 4.015,983 4.042,984 3.97,985 3.945,986 4.983,987 3.947,988 3.792,989 3.863,990 3.684,991 3.603,992 4.756,993 3.613,994 3.562,995 3.609,996 3.479,997 3.426,998 4.44,999 3.428,1000 3.505,1001 3.554,1002 3.404,1003 3.39,1004 4.286,1005 3.39,1006 3.329,1007 3.395,1008 3.185,1009 3.193,1010 4.179,1011 3.181,1012 3.188,1013 3.281,1014 3.02,1015 2.986,1016 4,1017 2.981,1018 3.111,1019 3.206,1020 2.915,1021 2.941,1022 3.941,1023 2.922,1024 0.13,1025 0.105,1026 0.193,1027 0.118,1028 0.091,1029 4.551,1030 0.128,1031 3.671,1032 0.034,1033 6.743,1034 0.312,1035 4.147,1036 0.089,1037 3.17,1038 4.474,1039 1.2,1040 10.929,1041 3.098,1042 2.048,1043 2.022,1044 2.128,1045 2.147,1046 1.363,1047 2.144,1048 1.989,1049 1.965,1050 2.084,1051 2.084,1052 1.266,1053 2.084,1054 1.749,1055 1.68,1056 1.947,1057 1.96,1058 1.171,1059 1.961,1060 1.536,1061 1.489,1062 1.742,1063 1.713,1064 0.934,1065 1.721,1066 1.496,1067 1.453,1068 1.704,1069 1.65,1070 0.825,1071 1.672,1072 1.339,1073 1.276,1074 1.587,1075 1.514,1076 0.805,1077 1.542,1078 1.191,1079 1.096,1080 1.532,1081 1.433,1082 0.678,1083 1.471,1084 1.153,1085 1.064,1086 1.513,1087 1.376,1088 0.575,1089 1.429,1090 4.263,1092 5.602,1094 7.152,1096 8.798,1098 10.493,1099 3.887,1104 6.186,1108 6.77,1112 37.122,1113 82.259,1114 199.188,1115 268.347,1116 309.566,1117 313.566,1118 313.566,1119 41.141,1120 8.395,1121 41.37,1122 41.37,1123 30,1124 12.772,1125 4.322,1126 3.524,1127 43.984,1128 148,1129 127,1130 0.145,1131 225.104,1132 390.25,1133 541.013,1134 62496,1136 21.372,1137 0.689,1138 0.588,1139 21.372,1140 18.213,1141 15.097,1142 0.431,1143 0.315,1144 10.894,1145 14.655,1146 10.569,1147 8.73,1148 15.097,1149 11.013,1150 13.728,1151 0.275,1152 0.169,1153 13.728,1154 8.456,1155 12.204,1156 0.177,1157 0.094,1158 12.204,1159 6.516,1160 10.182,1161 0.112,1162 0.052,1163 10.182,1164 4.695,1165 8.702,1166 0.073,1167 0.029,1168 8.702,1169 3.442,1170 0.235,1171 93.379,1172 0.205,1173 29.45,1174 0.382,1175 170,1176 406.316,1177 181.179,1178 401.808,1179 567.59,1180 380,1181 204,1182 431.552,1183 216.374,1184 441.138,1185 649.48,1186 417,1187 5}
{0 CHEMBL1822468,1 1.742,2 14.625,3 2.858,4 8.166,5 111.925,6 7.902,7 0.444,8 4.158,9 4.279,10 3.775,11 3.636,12 5.256,13 3.647,14 4.755,15 4.933,16 4.204,17 4.057,18 6.009,19 4.049,20 5.057,21 5.292,22 4.19,23 4.181,24 6.133,25 4.139,26 5.067,27 5.31,28 4.059,29 4.071,30 6.167,31 4.028,32 4.907,33 5.155,34 3.947,35 3.911,36 6.028,37 3.873,38 4.68,39 4.889,40 3.86,41 3.843,42 5.749,43 3.812,44 4.769,45 4.999,46 3.922,47 3.886,48 6.059,49 3.819,50 4.81,51 5.084,52 3.757,53 3.84,54 5.737,55 3.749,56 0.164,57 1.023,58 10.61,59 4.864,60 19.605,61 6.211,62 0.718,63 1.803,64 22.911,65 8.373,66 76.574,67 11.105,68 0.891,69 2.018,70 35.884,71 11.307,72 103.042,73 15.01,74 1.084,75 1.766,76 38.256,77 10.21,78 130.434,79 13.98,80 1.127,81 1.416,82 33.151,83 8.165,84 107.033,85 11.772,86 0.555,87 1.315,88 23.246,89 7.246,90 61.924,91 9.848,92 0.969,93 1.351,94 26.711,95 8.271,96 120.705,97 12.171,98 0.647,99 1.358,100 29.845,101 8.99,102 65.163,103 13.225,104 10,105 52,106 0.285,107 0.593,108 0.712,109 0.793,110 0.828,111 0.828,112 3.502,113 0.904,114 -5.04,115 -4.94,116 -4.63,117 39.3,119 4,123 4,124 1,126 1,129 6,130 1,133 2,135 1,141 1,143 1,147 1,149 8,150 5,151 3,153 2,154 2,155 8,157 4,158 5,162 2,163 7,165 1,166 8,172 3,174 4,175 10,176 1,178 1,180 1,181 7,188 2,189 8,190 2,194 2,195 6,196 1,203 6,210 1822,211 21.618,212 21.618,213 21.618,214 21.618,215 21.618,216 19.715,217 20.714,218 12.481,219 22.172,220 17.769,221 17.769,222 17.769,223 17.769,224 17.769,225 14.839,226 29.973,227 5.945,228 18.745,229 4.065,230 2.188,231 1.456,232 0.964,233 0.75,234 0.75,235 4.21,238 1,239 1041,240 3.317,242 92.697,243 418.187,245 161.102,246 2.461,247 45.198,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 72,258 468,259 4.462,260 3.988,261 6.711,262 4.096,263 3.208,264 4.366,265 1.701,266 10.891,267 2.919,268 4.23,269 3.69,270 6.341,271 4.001,272 3.049,273 3.87,274 1.51,275 9.752,276 2.842,277 4.209,278 3.157,279 6.173,280 3.848,281 2.899,282 3.219,283 0.8,284 9.164,285 2.736,286 3.976,287 2.952,288 6.041,289 3.718,290 2.767,291 3.153,292 0.563,293 8.677,294 2.614,295 3.764,296 2.623,297 5.9,298 3.466,299 2.514,300 3.072,301 0.075,302 8.223,303 2.382,304 3.317,305 2.492,306 5.279,307 3.231,308 2.281,309 2.427,311 6.761,312 2.152,313 3.119,314 2.237,315 4.645,316 2.736,317 1.775,318 2.379,320 4.935,321 1.7,322 3.118,323 1.769,324 4.419,325 2.603,326 1.618,327 2.261,328 4.362,329 1.592,330 2.886,331 1.618,332 4.159,333 2.432,334 1.446,335 2.032,336 3.615,337 1.422,338 2.641,339 1.419,340 3.906,341 2.261,342 1.287,343 1.636,344 3.037,345 1.243,346 2.304,347 1.146,348 3.802,349 2,350 1,351 1.224,352 2.705,353 1,354 2.136,355 1.095,356 3.603,357 1.967,358 1,359 1,360 2.372,361 0.965,362 2.118,363 1,364 3.414,365 1.924,366 0.968,367 1,368 2.275,369 0.921,370 2,371 0.801,372 3.272,373 1.651,374 0.691,375 0.989,376 1.671,377 0.661,378 2,379 0.709,380 3.158,381 1.582,382 0.618,383 0.927,384 1.49,385 0.595,386 14.638,387 0.457,388 0.878,389 0.027,390 38.5,391 1.203,392 16,393 0.5,394 22.5,395 0.703,396 29.106,397 0.91,398 35.762,399 0.639,400 29.343,401 0.917,402 7.357,403 0.23,404 8.11,405 0.253,406 0.062,407 0.034,408 0.294,409 2,412 0.608,413 1.259,414 0.681,415 1.187,416 0.529,417 1.003,418 0.584,419 1.032,420 0.793,421 1.064,422 0.515,423 1.004,424 1.079,425 1.044,426 1.029,427 1.005,428 1.086,429 0.995,430 1.333,431 0.986,432 1.172,433 0.943,434 1.305,435 0.989,436 1.12,437 0.556,438 1.046,439 0.652,440 1.102,441 0.789,442 1.042,443 1.004,444 1.07,445 1.07,446 0.954,447 1.07,448 0.437,449 0.794,450 0.865,451 1.035,452 0.33,453 1.068,454 0.678,455 0.826,456 0.828,457 0.934,458 0.522,459 0.926,460 7.5,461 0.122,462 4.222,463 1.375,464 1.891,465 1.066,466 0.511,467 0.398,468 0.411,469 0.187,470 17227,471 50438,472 2.147,473 42.9,475 15,478 1,480 4,481 4,482 1.737,483 2.032,484 3.82,485 -0.279,487 1,488 97.556,489 1.742,490 3.62,491 4.352,492 4.843,493 5.057,494 5.057,495 3.311,496 4.625,497 4.97,498 4.008,499 1988,500 8.651,501 30582.3,503 1,505 1,506 325.212,507 1.438,508 4.937,509 0.208,510 0.005,511 0.081,512 0.027,513 0.045,514 0.028,515 0.014,516 0.011,517 0.013,518 0.007,519 0.44,520 0.33,521 0.88,522 0.476,523 172.068,524 0.01,525 -0.191,526 0.064,527 -0.088,528 -0.025,529 -0.018,530 0.224,531 0.027,532 0.069,533 -0.051,534 0.201,535 -0.046,536 -0.11,537 -0.007,538 -0.055,539 -0.023,540 -0.102,541 -0.019,542 -0.227,543 -0.065,544 -0.147,545 -0.017,546 -0.202,547 -0.043,548 -0.079,549 0.209,550 -0.022,551 0.22,552 -0.12,553 0.134,554 -0.167,555 -0.109,556 -0.145,557 -0.107,558 -0.109,559 -0.114,560 0.366,561 0.044,562 0.082,563 -0.07,564 0.377,565 -0.079,566 0.051,567 -0.072,568 0.165,569 0.016,570 0.064,571 0.1,572 3.849,573 5.516,574 0.844,575 39.43,576 1.02,577 1.147,578 3.814,579 14.549,580 0.651,581 3.611,582 3.97,583 4.22,584 4.454,585 4.71,586 4.779,587 4.913,588 5.03,589 5.198,590 5.252,591 8.464,592 0.636,593 442.52,594 3.611,595 5.176,596 6.028,597 6.913,598 7.778,599 8.661,600 9.531,601 10.414,602 11.287,603 12.169,604 10.7,608 1,609 2,612 3,613 2,614 6,615 3,617 1,618 3,620 16,625 1,628 56,629 17,630 1,631 36,632 60,633 22,634 11,635 2,636 4,638 5,639 6,641 1,644 6,647 6,649 12,650 10,652 2,653 1,654 1,656 1,658 1,659 2,660 24,661 10,662 1,663 10,666 6,667 0.8,668 2,672 1,676 1,677 4,679 1,687 4,690 2,691 32,694 8,695 1,697 1,698 2,699 1,703 2,704 3.6,706 1,708 1,709 15.75,710 9.952,711 6.778,712 3.57,713 3.261,714 1.39,715 1.003,716 5.789,717 11.617,718 3.829,719 4.404,720 4.943,721 5.495,722 6.006,723 6.359,724 6.808,725 7.248,726 7.699,727 7.861,728 0.9,729 50,730 12.034,731 5.455,732 7.956,733 22.581,734 19.259,735 2.456,736 78.583,738 1,739 270.735,740 95.911,741 77.427,743 34.879,744 29.92,745 95.911,746 305.614,747 107.347,749 39.696,750 56.857,751 78.313,752 58.996,753 4.276,754 270.735,756 270.735,757 173.338,758 64.799,760 178.894,761 158.968,763 1.824,764 49.188,765 66.831,766 53.168,767 300.656,768 112.306,769 95.911,770 272.559,771 37.23,772 63.106,773 18.011,774 117.967,775 270.735,776 142.226,777 95.911,778 0.595,779 0.339,780 0.172,781 0.096,782 27,783 11,784 0.05,785 3,786 1,787 1.074,788 4.489,789 291.549,790 0.074,791 27,792 148,793 21.234,794 8.723,795 4.77,796 1.897,797 142.226,798 11.651,799 13.143,801 5.442,802 1.444,804 18.011,805 508.873,806 45,807 12.516,809 -0.202,810 57.127,811 64.24,812 0.3,813 0.623,814 0.749,815 0.834,816 0.871,817 0.871,818 5.1,819 1.618,820 6.043,821 4.935,822 4.654,823 5.091,824 2.482,825 6.868,826 4.547,827 6.299,828 1.446,829 7.616,830 4.362,831 4.369,832 4.913,833 1.404,834 7.947,835 4.124,836 7.611,837 1.287,838 9.291,839 3.615,840 6.315,841 7.24,842 3.143,843 10.914,844 6.074,845 8.953,846 1,847 11.026,848 3.037,849 6.825,850 7.885,851 2.498,852 12.764,853 6.437,854 10.327,855 1,856 12.797,857 2.705,858 8.263,859 9.712,860 3.981,861 15.285,862 7.865,863 11.72,864 0.968,865 14.593,866 2.372,867 9.11,868 10.75,869 3.613,870 17.421,871 8.577,872 13.128,873 0.691,874 16.404,875 2.275,876 10.355,877 12.368,878 4.885,879 19.809,880 9.788,881 3.208,882 0.618,883 18.228,884 1.671,885 11.353,886 13.609,887 4.718,888 22.061,889 10.667,890 3.049,891 10.891,892 20.06,893 1.49,894 12.522,895 15.136,896 5.825,897 24.412,898 11.782,899 2.899,900 9.752,901 21.898,902 4.366,903 13.59,904 16.483,905 5.808,906 26.717,907 12.742,908 2.767,909 9.164,910 23.742,911 3.87,912 14.731,913 17.969,914 6.789,915 29.062,916 13.816,917 2.514,918 8.677,919 25.59,920 3.219,921 15.832,922 19.371,923 6.887,924 31.394,925 14.817,926 2.281,927 8.223,928 27.442,929 3.153,930 16.966,931 20.841,932 7.772,933 33.744,934 15.872,935 1.775,936 6.761,937 29.298,938 3.072,939 18.084,940 22.272,941 7.96,942 36.092,943 16.894,944 15829,945 27239,946 24.444,947 36.432,948 55.212,949 55.506,950 55.051,951 54.875,952 54.684,953 67.572,954 9.3,955 160.917,956 51.895,957 5.462,958 5.988,959 6.399,960 5.165,961 5.208,962 7.366,963 3.211,964 17.438,965 4.919,966 13.547,967 1.534,968 1.542,969 1.529,970 1.524,971 1.519,972 1.877,973 0.258,974 4.47,975 1.442,976 4.085,977 4.117,978 4.049,979 4.002,980 8.358,981 4.007,982 3.928,983 3.983,984 3.854,985 3.759,986 7.999,987 3.765,988 3.858,989 3.911,990 3.79,991 3.644,992 7.429,993 3.673,994 3.686,995 3.733,996 3.626,997 3.477,998 5.302,999 3.502,1000 3.412,1001 3.463,1002 3.344,1003 3.211,1004 4.951,1005 3.244,1006 3.324,1007 3.378,1008 3.238,1009 3.069,1010 4.361,1011 3.105,1012 3.111,1013 3.206,1014 2.981,1015 2.941,1016 4.308,1017 2.91,1018 3.111,1019 3.206,1020 2.879,1021 2.941,1022 4.196,1023 2.91,1024 0.124,1025 0.111,1026 0.186,1027 0.114,1028 0.089,1029 4.462,1030 0.121,1031 3.988,1032 0.047,1033 6.711,1034 0.303,1035 4.096,1036 0.081,1037 3.208,1038 4.366,1039 1.701,1040 10.891,1041 2.919,1042 2.033,1043 2.009,1044 2.112,1045 2.117,1046 1.429,1047 2.117,1048 1.86,1049 1.808,1050 2.052,1051 2.053,1052 1.269,1053 2.05,1054 1.756,1055 1.688,1056 1.953,1057 1.983,1058 1.207,1059 1.98,1060 1.51,1061 1.472,1062 1.642,1063 1.647,1064 0.825,1065 1.643,1066 1.276,1067 1.225,1068 1.513,1069 1.61,1070 0.825,1071 1.548,1072 1.153,1073 1.064,1074 1.513,1075 1.422,1076 0.694,1077 1.429,1078 1.153,1079 1.064,1080 1.437,1081 1.376,1082 0.669,1083 1.429,1084 1.115,1085 1.059,1086 1.263,1087 1.376,1088 0.421,1089 1.359,1090 4.29,1092 5.638,1093 2.398,1094 7.172,1095 4.595,1096 8.783,1097 6.605,1098 10.43,1101 26.601,1104 2.348,1105 2.897,1107 -0.187,1108 3.633,1109 -2.599,1112 35.593,1113 97.556,1114 202.705,1115 243.702,1116 271.212,1117 283.212,1118 283.212,1119 65.958,1120 8.355,1121 87.39,1122 87.39,1123 29,1124 12.705,1125 4.17,1126 3.322,1127 46.146,1128 164,1129 148,1130 0.135,1131 212.57,1132 369.26,1133 510.432,1134 59187,1135 3.6,1136 22.131,1137 0.692,1138 0.547,1139 20.338,1140 17.507,1141 15.466,1142 0.43,1143 0.301,1144 10.64,1145 14.635,1146 10.537,1147 8.572,1148 14.759,1149 10.849,1150 14.706,1151 0.283,1152 0.16,1153 13.103,1154 8.344,1155 12.212,1156 0.182,1157 0.091,1158 11.478,1159 6.125,1160 9.845,1161 0.116,1162 0.049,1163 9.573,1164 4.19,1165 8.219,1166 0.075,1167 0.028,1168 7.69,1169 3.027,1170 0.221,1171 98.612,1172 0.202,1173 30.656,1174 0.349,1175 176,1176 638.252,1177 205.634,1178 555.254,1179 744.53,1180 518,1181 207,1182 549.566,1183 234.507,1184 531.699,1185 787.92,1186 502,1187 4.523}
{0 CHEMBL1823591,1 1.717,2 13.903,3 3.993,4 15.941,5 114.899,6 8.698,7 0.629,8 4.053,9 4.162,10 3.76,11 3.601,12 5.211,13 3.607,14 4.571,15 4.728,16 4.144,17 3.994,18 5.721,19 3.978,20 4.812,21 5.012,22 4.204,23 4.104,24 5.891,25 4.059,26 4.847,27 5.051,28 4.081,29 4.008,30 5.972,31 3.965,32 4.752,33 4.973,34 3.998,35 3.856,36 5.928,37 3.829,38 4.507,39 4.695,40 3.89,41 3.792,42 5.594,43 3.76,44 4.56,45 4.741,46 3.885,47 3.839,48 5.712,49 3.772,50 4.598,51 4.827,52 3.695,53 3.765,54 5.6,55 3.665,56 0.123,57 0.789,58 7.633,59 3.966,60 8.841,61 4.727,62 0.432,63 1.278,64 15.82,65 6.573,66 21.575,67 8.204,68 0.487,69 1.501,70 25.756,71 9.097,72 38.24,73 11.547,74 0.648,75 1.441,76 30.013,77 9.128,78 64.929,79 10.809,80 0.869,81 1.297,82 28.577,83 7.893,84 76.273,85 9.394,86 0.337,87 1.102,88 17.384,89 6.415,90 30.51,91 7.781,92 0.545,93 1.102,94 22.643,95 7.187,96 50.803,97 8.729,98 0.523,99 1.102,100 26.397,101 7.953,102 44.026,103 10.274,104 5,105 49,106 0.284,107 0.595,108 0.685,109 0.808,110 0.868,111 0.868,112 3.471,113 0.883,114 -5.09,115 -4.99,116 -4.67,117 44,123 4,129 10,130 1,131 2,133 2,135 1,141 1,143 1,147 1,149 9,150 5,151 3,153 2,154 1,155 9,157 4,158 5,162 3,163 8,165 1,166 6,170 1,172 4,174 4,175 12,176 1,178 1,180 1,181 9,188 2,189 7,190 2,194 2,195 7,196 1,203 5,210 1638,211 21.378,212 21.378,213 21.378,214 21.378,215 21.378,216 18.671,217 17.87,218 12.582,219 21.893,220 17.285,221 17.285,222 17.285,223 17.285,224 17.285,225 13.25,226 24.937,227 5.981,228 18.193,229 3.927,230 2.049,231 1.504,232 0.76,233 0.4,234 0.4,235 4.184,236 1,238 1,239 962,240 2.915,242 87.026,243 396.658,245 151.975,246 2.306,247 28.168,249 1,250 1,251 1,252 0.6,254 1,255 1,256 0.8,257 67.333,258 431,259 4.462,260 3.697,261 6.341,262 4.002,263 3.05,264 4.366,265 1.701,266 9.752,267 2.919,268 4.233,269 3.164,270 6.184,271 3.87,272 2.925,273 3.87,274 0.8,275 9.182,276 2.751,277 4.2,278 3.11,279 6.125,280 3.782,281 2.837,282 3.79,283 0.563,284 8.958,285 2.669,286 3.904,287 2.951,288 5.936,289 3.593,290 2.653,291 3.142,292 0.075,293 8.328,294 2.472,295 3.746,296 2.618,297 5.862,298 3.422,299 2.474,300 3.039,302 8.032,303 2.33,304 3.152,305 2.269,306 4.656,307 2.769,308 1.811,309 2.427,311 4.977,312 1.727,313 3.118,314 1.887,315 4.431,316 2.604,317 1.618,318 2.342,320 4.39,321 1.593,322 2.93,323 1.768,324 4.341,325 2.514,326 1.564,327 2.094,328 4.148,329 1.486,330 2.872,331 1.618,332 4.062,333 2.397,334 1.414,335 2.03,336 3.365,337 1.391,338 2.831,339 1.498,340 3.839,341 2.344,342 1.408,343 1.957,344 3.034,345 1.248,346 2.63,347 1.419,348 3.603,349 2.197,350 1.213,351 1.628,352 2.907,353 1.177,354 2.304,355 1.146,356 3.587,357 1.967,358 1,359 1.223,360 2.615,361 0.965,362 2.136,363 1.095,364 3.414,365 1.914,366 0.952,367 1,368 2.275,369 0.911,370 2.118,371 0.711,372 3.271,373 1.649,374 0.69,375 0.989,376 1.669,377 0.66,378 2,379 0.631,380 3.158,381 1.582,382 0.618,383 0.927,384 1.49,385 0.595,386 14.781,387 0.477,388 0.674,389 0.022,390 44.25,391 1.427,392 22.5,393 0.726,394 21.75,395 0.702,396 22.976,397 0.741,398 32.019,399 0.64,400 32.361,401 1.044,402 8.851,403 0.286,404 6.319,405 0.204,406 0.071,408 0.325,412 0.697,413 1.388,414 0.575,415 0.985,416 0.55,417 0.862,418 0.645,419 1.057,420 0.704,421 0.885,422 0.53,423 0.893,424 0.883,425 1.029,426 0.88,427 0.995,428 0.833,429 0.97,430 1.55,431 1.135,432 1.194,433 1.052,434 1.631,435 1.05,436 1.483,437 0.724,438 0.966,439 0.735,440 1.707,441 0.806,442 1.178,443 1.17,444 0.859,445 0.991,446 1.14,447 0.988,448 1.097,449 1.076,450 1.421,451 1.195,452 1.008,453 1.199,454 1.017,455 0.928,456 1.282,457 1.146,458 0.829,459 1.146,460 5.5,461 0.086,462 4,463 1.313,464 1.7,465 1.066,466 0.431,467 0.288,468 0.333,469 0.187,470 15644,471 45364,472 2.18,473 38,475 18,478 1,482 1.73,483 2.09,484 3.747,485 -0.297,487 1,488 85.865,489 1.717,490 3.595,491 4.139,492 4.884,493 5.244,494 5.244,495 3.216,496 4.567,497 4.925,498 3.93,499 1827.58,500 8.565,501 27195.1,503 1,505 1,506 282.193,507 1.215,508 4.907,509 0.157,510 0.003,511 0.082,512 0.027,513 0.04,514 0.028,515 0.012,516 0.008,517 0.012,518 0.007,519 0.377,520 0.33,521 0.88,522 0.415,523 164.368,524 0.031,525 -0.241,526 0.04,527 -0.08,528 -0.003,529 -0.021,530 0.2,531 0.072,532 0.024,533 0.01,534 0.108,535 -0.028,536 0.015,537 -0.002,538 0.031,539 -0.046,540 0.025,541 -0.018,542 -0.266,543 -0.16,544 -0.17,545 -0.1,546 -0.239,547 -0.11,548 -0.064,549 0.259,550 0.006,551 0.19,552 -0.112,553 0.125,554 -0.16,555 -0.137,556 -0.03,557 -0.063,558 -0.114,559 -0.067,560 0.015,561 -0.077,562 -0.284,563 -0.21,564 -0.015,565 -0.256,566 -0.015,567 0.004,568 -0.164,569 -0.14,570 -0.021,571 -0.122,572 1.848,573 5.537,574 0.871,575 36.285,576 1.015,577 1.125,578 3.86,579 14.902,580 0.703,581 3.584,582 3.912,583 4.205,584 4.443,585 4.673,586 4.745,587 4.875,588 4.997,589 5.187,590 5.252,591 8.08,592 0.681,593 434.92,594 3.584,595 5.13,596 5.989,597 6.862,598 7.732,599 8.608,600 9.482,601 10.359,602 11.236,603 12.114,604 12,608 1,609 2,612 3,613 2,614 10,615 3,617 1,618 5,620 22,625 1,627 1,628 50,629 23,630 2,631 35,632 54,633 22,634 17,635 4,636 8,638 5,639 6,640 1,641 1,649 18,650 4,653 1,654 1,656 1,658 1,660 19,661 8,662 1,663 9,664 1,666 6,667 0.8,668 2,672 1,676 1,677 4,679 1,687 4,689 1,691 31,694 4,695 1,698 2,703 1,704 4,706 1,708 1,709 14.833,710 9.06,711 6.722,712 2.993,713 4.166,714 1.504,715 1.025,716 5.555,717 12.439,718 3.871,719 4.48,720 5.074,721 5.643,722 6.162,723 6.446,724 6.865,725 7.301,726 7.739,727 7.903,728 1,729 49,730 11.428,731 4.93,732 7.74,733 21.718,734 17.938,735 2.24,736 69.444,738 1,739 211.88,740 128.111,741 77.427,742 39.149,743 34.879,745 128.111,746 285.908,747 77.427,749 29.558,750 94.762,751 78.313,752 33.509,753 4.276,754 211.88,755 39.149,756 211.88,757 205.538,758 34.879,759 39.149,760 214.208,761 34.879,764 39.05,765 110.993,766 92.316,767 211.88,768 112.306,769 167.26,770 211.88,771 33.349,772 101.011,773 18.011,774 127.195,775 211.88,776 112.306,777 167.26,778 0.584,779 0.347,780 0.183,781 0.098,782 25,783 10,784 0.056,785 3,786 1,787 1.074,788 4.424,789 280.215,790 0.074,791 27,792 149.58,793 19.946,794 8.634,795 4.256,796 1.936,797 112.306,798 18.927,799 13.21,801 5.466,802 2.637,804 18.011,805 491.446,806 47,807 12.537,809 -0.181,810 50.774,811 56.259,812 0.304,813 0.637,814 0.733,815 0.865,816 0.929,817 0.929,818 5.103,819 1.564,820 5.964,821 4.39,822 4.595,823 5.168,824 2.001,825 6.76,826 4.493,827 6.301,828 1.414,829 7.514,830 4.148,831 4.111,832 4.89,833 1.404,834 7.609,835 3.91,836 7.601,837 1.408,838 9.162,839 3.365,840 6.18,841 7.363,842 2.548,843 10.689,844 5.971,845 8.935,846 1.213,847 10.868,848 3.034,849 6.538,850 7.947,851 2.498,852 12.348,853 6.229,854 10.302,855 1,856 12.61,857 2.907,858 8.039,859 9.854,860 3.397,861 14.904,862 7.718,863 11.69,864 0.952,865 14.376,866 2.615,867 8.777,868 10.853,869 3.613,870 16.881,871 8.367,872 13.095,873 0.69,874 16.156,875 2.275,876 10.04,877 12.513,878 4.36,879 19.245,880 9.608,881 3.05,882 0.618,883 17.948,884 1.669,885 10.956,886 13.726,887 4.718,888 21.359,889 10.448,890 2.925,891 9.752,892 19.747,893 1.49,894 12.115,895 15.27,896 5.373,897 23.646,898 11.576,899 2.837,900 9.182,901 21.551,902 4.366,903 13.117,904 16.595,905 5.808,906 25.824,907 12.513,908 2.653,909 8.958,910 23.359,911 3.87,912 14.231,913 18.087,914 6.409,915 28.082,916 13.589,917 2.474,918 8.328,919 25.17,920 3.79,921 15.274,922 19.471,923 6.887,924 30.291,925 14.575,926 1.811,927 8.032,928 26.983,929 3.142,930 16.37,931 20.94,932 7.458,933 32.538,934 15.63,935 1.618,936 4.977,937 28.798,938 3.039,939 17.434,940 22.358,941 7.96,942 34.765,943 16.642,944 14305,945 24538,946 24.156,947 35.131,948 53.095,949 53.869,950 53.625,951 52.741,952 52.62,953 69.851,954 6.28,955 150.619,956 49.919,957 5.462,958 5.697,959 6.029,960 5.072,961 5.05,962 7.366,963 2.972,964 16.303,965 4.919,966 10.543,967 1.517,968 1.539,969 1.532,970 1.507,971 1.503,972 1.996,973 0.179,974 4.303,975 1.426,976 4.084,977 4.116,978 4.055,979 4.002,980 7.429,981 4.007,982 3.934,983 3.976,984 4.003,985 3.846,986 5.303,987 3.842,988 3.862,989 3.902,990 3.833,991 3.651,992 4.955,993 3.683,994 3.683,995 3.728,996 3.633,997 3.477,998 4.936,999 3.502,1000 3.393,1001 3.436,1002 3.332,1003 3.207,1004 4.361,1005 3.238,1006 3.268,1007 3.319,1008 3.289,1009 3.007,1010 4.348,1011 3.046,1012 3.111,1013 3.206,1014 3.181,1015 2.941,1016 4.269,1017 2.91,1018 2.982,1019 3.042,1020 2.886,1021 2.84,1022 3.958,1023 2.844,1024 0.127,1025 0.106,1026 0.181,1027 0.114,1028 0.087,1029 4.462,1030 0.125,1031 3.697,1032 0.049,1033 6.341,1034 0.279,1035 4.002,1036 0.083,1037 3.05,1038 4.366,1039 1.701,1040 9.752,1041 2.919,1042 2.033,1043 2.009,1044 2.112,1045 2.117,1046 1.271,1047 2.117,1048 1.884,1049 1.858,1050 1.984,1051 2.03,1052 1.207,1053 2.017,1054 1.757,1055 1.69,1056 1.943,1057 1.945,1058 1.057,1059 1.953,1060 1.51,1061 1.472,1062 1.642,1063 1.646,1064 0.825,1065 1.642,1066 1.238,1067 1.194,1068 1.513,1069 1.573,1070 0.694,1071 1.503,1072 1.153,1073 1.064,1074 1.358,1075 1.376,1076 0.442,1077 1.429,1078 1.091,1079 1.041,1080 1.238,1081 1.357,1082 0.275,1083 1.285,1084 0.99,1085 0.952,1086 1.169,1087 1.291,1088 0.242,1089 1.272,1090 4.263,1092 5.587,1093 2.398,1094 7.109,1095 4.595,1096 8.713,1097 6.605,1098 10.357,1100 6.121,1104 2.232,1105 2.852,1108 3.707,1112 34.073,1113 85.865,1114 179.754,1115 206.974,1116 244.193,1117 262.193,1118 262.193,1119 44.999,1120 8.274,1121 87.39,1122 87.39,1123 29,1124 12.651,1125 4.585,1126 3.7,1127 44.001,1128 152,1129 131,1130 0.139,1131 209.725,1132 353.51,1133 503.488,1134 53434,1135 2,1136 21.209,1137 0.684,1138 0.558,1139 21.709,1140 17.288,1141 15.17,1142 0.433,1143 0.294,1144 9.798,1145 14.255,1146 9.626,1147 7.91,1148 15.459,1149 10.303,1150 13.621,1151 0.278,1152 0.155,1153 13.991,1154 7.581,1155 12.012,1156 0.182,1157 0.084,1158 12.392,1159 5.525,1160 9.845,1161 0.117,1162 0.044,1163 10.099,1164 3.679,1165 7.962,1166 0.075,1167 0.023,1168 8.2,1169 2.488,1170 0.226,1171 98.509,1172 0.203,1173 29.76,1174 0.363,1175 168,1176 518.233,1177 202.486,1178 530.062,1179 725.09,1180 496,1181 199,1182 531.043,1183 231.724,1184 540.025,1185 793.04,1186 509,1187 4.921}
{0 CHEMBL1823616,1 1.703,2 13.323,3 3.732,4 13.928,5 114.848,6 8.403,7 0.6,8 4.085,9 4.199,10 3.764,11 3.622,12 5.212,13 3.621,14 4.625,15 4.791,16 4.161,17 4.033,18 5.721,19 4.01,20 4.871,21 5.075,22 4.226,23 4.149,24 5.91,25 4.095,26 4.947,27 5.162,28 4.135,29 4.078,30 6.037,31 4.027,32 4.824,33 5.048,34 4.024,35 3.93,36 5.969,37 3.895,38 4.644,39 4.848,40 3.906,41 3.87,42 5.702,43 3.82,44 4.635,45 4.829,46 3.882,47 3.905,48 5.716,49 3.822,50 4.662,51 4.89,52 3.681,53 3.886,54 5.593,55 3.754,56 0.113,57 0.821,58 8.784,59 4.259,60 8.723,61 5.326,62 0.387,63 1.335,64 18.347,65 7.299,66 24.653,67 9.533,68 0.472,69 1.56,70 28.53,71 9.953,72 39.971,73 13.109,74 0.716,75 1.577,76 34.091,77 9.689,78 64.634,79 12.356,80 0.8,81 1.37,82 30.699,83 8.252,84 79.099,85 10.4,86 0.427,87 1.209,88 21.988,89 7.405,90 41.016,91 9.359,92 0.589,93 1.151,94 25.723,95 7.995,96 53.195,97 10.126,98 0.478,99 1.165,100 27.303,101 9.039,102 41.826,103 11.951,104 10,105 50,106 0.28,107 0.631,108 0.758,109 0.834,110 0.86,111 0.86,112 3.472,113 0.903,114 -5.57,115 -5.44,116 -5.08,117 42.3,119 2,120 1,122 1,123 2,129 8,131 2,133 1,135 1,138 1,141 1,142 2,147 1,149 8,150 4,151 6,153 2,154 1,155 6,157 4,158 10,162 3,163 4,165 2,166 8,170 3,172 1,174 2,175 13,177 1,180 1,181 12,186 2,188 2,189 2,190 2,192 9,194 3,196 1,200 11,203 2,208 5,210 1599,211 21.223,212 21.223,213 21.223,214 21.223,215 21.223,216 18.573,217 20.293,218 12.36,219 21.719,220 17.259,221 17.259,222 17.259,223 17.259,224 17.259,225 13.297,226 22.963,227 5.855,228 18.137,229 3.997,230 1.866,231 1.091,232 0.63,233 0.476,234 0.476,235 4.18,236 1,238 1,239 922,240 3,242 157.678,243 311.674,244 139.233,246 2.248,247 28.878,249 0.75,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.86,257 67.333,258 413,259 4.66,260 3.696,261 6.8,262 4.178,263 3.237,264 4.601,265 1.701,266 11.163,267 3.046,268 4.221,269 3.276,270 6.228,271 3.911,272 2.951,273 3.826,274 0.563,275 9.334,276 2.842,277 4.193,278 3.123,279 6.134,280 3.796,281 2.849,282 3.79,283 0.075,284 8.97,285 2.675,286 3.893,287 3.065,288 5.937,289 3.573,290 2.637,291 3.114,293 8.257,294 2.451,295 3.709,296 2.521,297 5.866,298 3.386,299 2.418,300 3.028,302 8.009,303 2.326,304 3.287,305 2.273,306 5.056,307 2.862,308 1.909,309 2.564,311 5.559,312 1.815,313 3.085,314 1.938,315 4.639,316 2.652,317 1.697,318 2.308,320 4.771,321 1.615,322 2.928,323 1.883,324 4.376,325 2.507,326 1.549,327 2.085,328 4.173,329 1.484,330 2.861,331 1.608,332 4.138,333 2.386,334 1.414,335 1.999,336 3.437,337 1.379,338 2.806,339 1.498,340 3.857,341 2.339,342 1.391,343 1.917,344 3.036,345 1.24,346 2.599,347 1.371,348 3.604,349 2.168,350 1.184,351 1.592,352 2.864,353 1.154,354 2.3,355 1.077,356 3.587,357 1.984,358 1,359 1.223,360 2.612,361 0.983,362 2.134,363 1.07,364 3.414,365 1.93,366 0.961,367 1,368 2.275,369 0.927,370 2.079,371 0.764,372 3.361,373 1.658,374 0.704,375 0.986,376 1.731,377 0.669,378 2,379 0.63,380 3.261,381 1.558,382 0.611,383 0.891,384 1.541,385 0.577,386 14.781,387 0.477,388 0.747,389 0.024,390 41.75,391 1.347,392 20,393 0.645,394 21.75,395 0.702,396 25.748,397 0.831,398 32.619,399 0.627,400 30.58,401 0.986,402 8.109,403 0.262,404 6.989,405 0.225,406 0.105,408 0.359,412 0.691,413 1.425,414 0.595,415 1.022,416 0.545,417 0.899,418 0.652,419 1.108,420 0.679,421 0.913,422 0.512,423 0.89,424 0.864,425 1.081,426 0.855,427 1.028,428 0.814,429 0.986,430 1.493,431 1.141,432 1.159,433 1.02,434 1.537,435 1.032,436 1.543,437 0.831,438 0.986,439 0.803,440 1.706,441 0.856,442 1.34,443 1.079,444 0.914,445 0.946,446 1.309,447 0.99,448 1.127,449 0.901,450 1.384,451 1.093,452 0.974,453 1.136,454 0.885,455 0.847,456 1.288,457 1.168,458 0.775,459 1.217,460 5.5,461 0.125,462 4.222,463 2.264,464 1.727,465 1.007,466 0.526,467 0.361,468 0.323,469 0.162,470 15227,471 43146,472 2.16,473 40.4,475 15,478 1,479 1,480 4,482 1.73,483 2.044,484 3.682,485 -0.297,487 1,488 88.567,489 1.703,490 3.835,491 4.609,492 5.071,493 5.224,494 5.224,495 3.132,496 4.761,497 4.926,498 3.886,499 1806.79,500 8.569,501 26642.1,503 1,505 1,506 296.423,507 1.332,508 4.896,509 0.157,510 0.005,511 0.084,512 0.045,513 0.039,514 0.026,515 0.015,516 0.011,517 0.012,518 0.006,519 0.4,520 0.33,521 0.75,522 0.486,523 163.736,524 0.04,525 -0.245,526 0.044,527 -0.08,528 0.012,529 -0.02,530 0.171,531 0.022,532 0.066,533 0.013,534 0.125,535 0.012,536 0.038,537 -0.06,538 0.049,539 -0.065,540 0.037,541 -0.024,542 -0.218,543 -0.145,544 -0.158,545 -0.092,546 -0.205,547 -0.109,548 -0.164,549 0.158,550 -0.044,551 0.106,552 -0.152,553 0.058,554 -0.219,555 -0.062,556 -0.072,557 -0.016,558 -0.17,559 -0.062,560 -0.011,561 0.092,562 -0.263,563 -0.093,564 -0.009,565 -0.175,566 -0.017,567 0.089,568 -0.232,569 -0.145,570 -0.028,571 -0.19,572 1.822,573 5.568,574 0.839,575 34.986,576 1.013,577 1.128,578 4.339,579 18.825,580 0.69,581 3.584,582 3.932,583 4.248,584 4.511,585 4.71,586 4.804,587 4.942,588 5.063,589 5.187,590 5.283,591 7.896,592 0.665,593 436.94,594 3.584,595 5.142,596 6.014,597 6.901,598 7.786,599 8.677,600 9.568,601 10.462,602 11.356,603 12.252,604 11.5,609 2,610 1,612 3,613 2,614 8,615 3,617 1,618 5,619 1,620 21,627 1,628 52,629 22,630 2,631 35,632 56,633 22,634 15,635 4,636 8,638 5,639 6,640 1,641 1,644 2,645 1,647 2,649 16,650 6,651 1,653 1,654 1,656 1,658 1,660 21,661 7,662 1,663 9,664 1,665 1,666 6,667 0.8,668 2,676 2,677 3,678 1,687 4,688 1,689 1,691 31,694 4,695 1,697 1,698 1,703 1,704 3.8,706 1,708 1,709 15.167,710 9.726,711 6.694,712 3.182,713 3.927,714 1.475,715 1.014,716 5.487,717 12.2,718 3.861,719 4.489,720 5.104,721 5.7,722 6.166,723 6.493,724 6.91,725 7.336,726 7.571,727 7.829,728 0.889,729 50,730 11.452,731 4.97,732 7.719,733 21.877,734 18.32,735 2.219,736 68.778,738 1,739 235.422,740 117.984,741 76.202,742 39.149,743 34.879,745 117.984,746 309.45,747 76.202,748 8.396,749 30.416,750 75.81,751 85.66,752 22.363,753 6.42,754 235.422,755 39.149,756 235.422,757 194.186,758 34.879,759 39.149,760 190.666,761 81.963,764 41.807,765 96.884,766 92.316,767 235.422,768 111.081,769 157.133,770 235.422,771 33.778,772 89.23,773 18.011,774 127.195,775 235.422,776 111.081,777 157.133,778 0.589,779 0.356,780 0.19,781 0.099,782 26,783 11,784 0.054,785 3,786 1,787 1.077,788 4.361,789 284.369,790 0.077,791 26,792 149.58,793 20.191,794 8.424,795 3.966,796 1.908,797 109.182,798 15.108,799 13.401,801 5.566,802 2.875,803 1.964,804 18.011,805 503.636,806 46.5,807 12.568,809 -0.155,810 52.658,811 58.674,812 0.299,813 0.673,814 0.809,815 0.889,816 0.916,817 0.916,818 5.107,819 1.549,820 6.004,821 4.771,822 4.615,823 5.176,824 1.863,825 6.836,826 4.515,827 6.319,828 1.414,829 7.578,830 4.173,831 4.205,832 4.987,833 1.305,834 7.763,835 4.013,836 7.633,837 1.391,838 9.253,839 3.437,840 6.232,841 7.402,842 2.511,843 10.877,844 6.028,845 8.984,846 1.184,847 10.986,848 3.036,849 6.673,850 8.099,851 2.473,852 12.638,853 6.373,854 10.37,855 1,856 12.757,857 2.864,858 8.149,859 9.962,860 3.388,861 15.255,862 7.834,863 11.781,864 0.961,865 14.552,866 2.612,867 8.967,868 11.076,869 3.608,870 17.354,871 8.563,872 13.211,873 0.704,874 16.366,875 2.275,876 10.229,877 12.719,878 4.358,879 19.807,880 9.797,881 3.237,882 0.611,883 18.192,884 1.731,885 11.219,886 14.037,887 4.717,888 22.057,889 10.707,890 2.951,891 11.163,892 20.028,893 1.541,894 12.397,895 15.592,896 5.372,897 24.459,898 11.847,899 2.849,900 9.334,901 21.872,902 4.601,903 13.466,904 17.01,905 5.808,906 26.782,907 12.845,908 2.637,909 8.97,910 23.723,911 3.826,912 14.616,913 18.533,914 6.409,915 29.171,916 13.947,917 2.418,918 8.257,919 25.58,920 3.79,921 15.723,922 20,923 6.887,924 31.532,925 14.988,926 1.909,927 8.009,928 27.441,929 3.114,930 16.865,931 21.514,932 7.458,933 33.922,934 16.077,935 1.697,936 5.559,937 29.307,938 3.028,939 17.992,940 23.006,941 7.96,942 36.303,943 17.141,944 13977,945 23697,946 23.868,947 35.892,948 53.788,949 54.426,950 54.805,951 53.303,952 53.187,953 70.051,954 4.68,955 155.838,956 50.493,957 5.66,958 5.696,959 6.488,960 5.235,961 5.237,962 7.601,963 2.972,964 18.547,965 5.046,966 12.816,967 1.537,968 1.555,969 1.566,970 1.523,971 1.52,972 2.001,973 0.134,974 4.453,975 1.443,976 4.135,977 4.178,978 4.11,979 3.999,980 7.429,981 4.019,982 3.946,983 3.988,984 4.008,985 3.849,986 5.302,987 3.846,988 3.876,989 3.908,990 3.843,991 3.742,992 4.978,993 3.75,994 3.669,995 3.713,996 3.624,997 3.436,998 4.939,999 3.473,1000 3.415,1001 3.477,1002 3.336,1003 3.193,1004 4.351,1005 3.225,1006 3.289,1007 3.343,1008 3.29,1009 3.019,1010 4.323,1011 3.058,1012 3.111,1013 3.206,1014 3.195,1015 2.941,1016 4.242,1017 2.91,1018 3.006,1019 3.086,1020 2.869,1021 2.829,1022 3.941,1023 2.827,1024 0.133,1025 0.106,1026 0.194,1027 0.119,1028 0.092,1029 4.66,1030 0.131,1031 3.696,1032 0.049,1033 6.8,1034 0.319,1035 4.178,1036 0.087,1037 3.237,1038 4.601,1039 1.701,1040 11.163,1041 3.046,1042 1.919,1043 1.889,1044 2.036,1045 2.04,1046 1.408,1047 2.04,1048 1.889,1049 1.861,1050 2.018,1051 2.021,1052 1.13,1053 2.022,1054 1.83,1055 1.781,1056 1.967,1057 1.951,1058 1.058,1059 1.964,1060 1.563,1061 1.502,1062 1.715,1063 1.796,1064 0.825,1065 1.77,1066 1.297,1067 1.255,1068 1.513,1069 1.593,1070 0.784,1071 1.541,1072 1.153,1073 1.064,1074 1.44,1075 1.399,1076 0.642,1077 1.429,1078 1.126,1079 1.051,1080 1.318,1081 1.376,1082 0.342,1083 1.378,1084 1.014,1085 0.967,1086 1.216,1087 1.346,1088 0.26,1089 1.295,1090 4.263,1092 5.602,1093 3.045,1094 7.133,1095 5.416,1096 8.745,1097 7.535,1098 10.397,1099 1.941,1100 6.133,1104 2.705,1105 2.872,1107 0.111,1108 1.78,1112 34.6,1113 88.567,1114 199.403,1115 239.668,1116 263.668,1117 271.668,1118 271.668,1119 48.758,1120 8.273,1121 89.08,1122 89.08,1123 28,1124 12.777,1125 4.524,1126 3.644,1127 43.991,1128 149,1129 131,1130 0.143,1131 212.652,1132 356.15,1133 510.631,1134 52146,1135 1.9,1136 21.372,1137 0.689,1138 0.571,1139 21.872,1140 17.711,1141 15.097,1142 0.431,1143 0.301,1144 10.03,1145 14.181,1146 9.809,1147 8.082,1148 15.386,1149 10.536,1150 13.71,1151 0.274,1152 0.16,1153 14.081,1154 8.018,1155 12.264,1156 0.178,1157 0.087,1158 12.644,1159 6.005,1160 10.193,1161 0.113,1162 0.046,1163 10.446,1164 4.107,1165 7.981,1166 0.073,1167 0.025,1168 8.22,1169 2.762,1170 0.231,1171 98.121,1172 0.205,1173 29.618,1174 0.375,1175 170,1176 510.233,1177 204.376,1178 521.633,1179 715.45,1180 488,1181 204,1182 527.395,1183 237.224,1184 536.057,1185 789.12,1186 505,1187 4.495}
{0 CHEMBL1823865,1 1.56,2 13.8,3 3.61,4 13.031,5 111.33,6 7.26,7 0.471,8 4.142,9 4.27,10 3.703,11 3.64,12 5.167,13 3.627,14 4.726,15 4.916,16 4.068,17 4.062,18 5.716,19 4.016,20 5.018,21 5.268,22 4.078,23 4.188,24 5.898,25 4.101,26 5.036,27 5.291,28 3.988,29 4.076,30 5.999,31 3.999,32 4.891,33 5.145,34 3.872,35 3.913,36 5.904,37 3.857,38 4.661,39 4.878,40 3.789,41 3.847,42 5.631,43 3.79,44 4.748,45 4.988,46 3.762,47 3.889,48 5.713,49 3.794,50 4.793,51 5.076,52 3.606,53 3.845,54 5.598,55 3.712,56 0.069,57 0.889,58 12.129,59 4.808,60 8.346,61 6.763,62 0.408,63 1.457,64 23.955,65 8.244,66 26.569,67 12.087,68 0.394,69 1.738,70 34.5,71 11.121,72 36.895,73 16.704,74 0.539,75 1.622,76 36.645,77 10.097,78 57.891,79 15.369,80 0.747,81 1.384,82 32.479,83 8.178,84 66.253,85 12.231,86 0.294,87 1.225,88 23.736,89 7.192,90 33.318,91 10.581,92 0.491,93 1.278,94 26.559,95 8.273,96 50.079,97 12.409,98 0.412,99 1.255,100 28.895,101 8.949,102 38.939,103 13.657,104 2,105 47,106 0.255,107 0.555,108 0.683,109 0.777,110 0.828,111 0.828,112 3.44,113 0.95,114 -4.83,115 -4.74,116 -4.45,117 39.3,119 5,123 4,124 1,129 6,130 1,133 2,135 1,141 1,143 1,147 1,149 10,150 5,151 3,153 2,154 2,155 10,157 4,158 5,162 2,163 7,165 1,166 8,170 1,172 3,174 4,175 10,176 1,178 1,180 1,181 9,188 2,189 8,190 2,194 2,195 6,196 1,203 7,210 1506,211 20.878,212 20.878,213 20.878,214 20.878,215 20.878,216 18.974,217 17.936,218 12.439,219 21.284,220 16.824,221 16.824,222 16.824,223 16.824,224 16.824,225 13.894,226 27.107,227 5.951,228 17.494,229 4.247,230 2.417,231 1.634,232 1.063,233 0.75,234 0.75,235 4.155,238 1,239 929,240 2.828,242 83.782,243 382.33,245 145.856,246 2.293,247 25.165,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 65,258 414,259 4.462,260 3.691,261 6.341,262 4.002,263 3.05,264 4.366,265 1.701,266 9.752,267 2.919,268 4.23,269 3.157,270 6.173,271 3.853,272 2.903,273 3.87,274 0.8,275 9.164,276 2.745,277 3.987,278 2.952,279 6.043,280 3.734,281 2.779,282 3.165,283 0.563,284 8.683,285 2.646,286 3.767,287 2.627,288 5.901,289 3.491,290 2.533,291 3.08,292 0.075,293 8.225,294 2.422,295 3.435,296 2.552,297 5.32,298 3.35,299 2.386,300 2.456,302 6.871,303 2.294,304 3.134,305 2.246,306 4.646,307 2.757,308 1.794,309 2.427,311 4.941,312 1.722,313 3.118,314 1.769,315 4.419,316 2.604,317 1.618,318 2.315,320 4.365,321 1.593,322 2.893,323 1.618,324 4.173,325 2.503,326 1.533,327 2.041,328 3.719,329 1.484,330 2.674,331 1.519,332 3.928,333 2.397,334 1.409,335 1.683,336 3.152,337 1.39,338 2.431,339 1.419,340 3.604,341 2.208,342 1.223,343 1.42,344 2.888,345 1.196,346 2.284,347 1.146,348 3.526,349 2,350 1,351 1.194,352 2.591,353 1,354 2.131,355 1.095,356 3.414,357 1.967,358 1,359 1,360 2.275,361 0.965,362 2.118,363 1,364 3.271,365 1.913,366 0.951,367 1,368 2.136,369 0.91,370 2,371 0.711,372 3.247,373 1.649,374 0.69,375 0.983,376 1.669,377 0.659,378 2,379 0.618,380 3.158,381 1.582,382 0.618,383 0.927,384 1.49,385 0.595,386 14.067,387 0.469,388 0.585,389 0.019,390 37,391 1.233,392 16,393 0.533,394 21,395 0.7,396 26.396,397 0.88,398 32.733,399 0.585,400 25.682,401 0.856,402 6.834,403 0.228,404 7.925,405 0.264,406 0.024,408 0.306,412 0.711,413 1.503,414 0.776,415 1.19,416 0.525,417 1.021,418 0.625,419 1.136,420 0.902,421 1.064,422 0.476,423 1.027,424 0.814,425 1.013,426 0.905,427 1.007,428 0.739,429 0.969,430 1.446,431 1.063,432 1.046,433 0.951,434 1.584,435 0.94,436 1.776,437 0.704,438 1.1,439 0.659,440 2.156,441 0.762,442 1.367,443 1.18,444 1.096,445 1.078,446 1.473,447 1.049,448 0.906,449 1.04,450 1.033,451 1.047,452 0.843,453 1.056,454 0.843,455 0.872,456 0.936,457 0.933,458 0.577,459 0.946,460 5,461 0.073,462 3.333,463 1.125,464 1.509,465 0.955,466 0.349,467 0.273,468 0.312,469 0.147,470 14513,471 32312,472 2.207,473 46.4,474 6,475 15,478 1,480 4,482 1.721,483 2.143,484 3.745,485 -0.316,487 1,488 87.383,489 1.56,490 3.391,491 4.174,492 4.745,493 5.057,494 5.057,495 3.231,496 4.507,497 4.876,498 3.91,499 1700.89,500 8.469,501 24668.8,503 1,505 1,506 325.212,507 1.075,508 4.87,509 0.147,510 0.003,511 0.071,512 0.024,513 0.038,514 0.027,515 0.01,516 0.009,517 0.012,518 0.006,519 0.346,520 0.33,521 0.88,522 0.327,523 157.435,524 0.082,525 -0.252,526 0.087,527 -0.089,528 0.067,529 -0.016,530 0.258,531 0.02,532 0.022,533 -0.051,534 0.169,535 -0.056,536 0.046,537 -0.004,538 0.065,539 -0.028,540 0.055,541 0.015,542 -0.142,543 -0.116,544 -0.013,545 -0.023,546 -0.136,548 -0.164,549 0.251,550 -0.025,551 0.223,552 -0.254,553 0.133,554 -0.171,555 -0.132,556 -0.111,557 -0.109,558 -0.124,559 -0.102,560 0.15,561 -0.046,562 -0.046,563 -0.074,564 0.161,565 -0.087,566 0.061,567 0.039,568 0.066,569 0.027,570 0.105,571 0.044,572 1.617,573 5.542,574 0.9,575 35.147,576 1.002,577 1.135,578 3.599,579 12.956,580 0.653,581 3.555,582 3.871,583 4.159,584 4.407,585 4.635,586 4.71,587 4.852,588 4.977,589 5.153,590 5.209,591 7.931,592 0.622,593 406.54,594 3.555,595 5.094,596 5.948,597 6.817,598 7.683,599 8.556,600 9.427,601 10.302,602 11.176,603 12.054,604 10.7,608 1,609 2,612 3,613 2,614 6,615 3,617 1,618 3,620 16,625 1,628 56,629 17,630 1,631 34,632 60,633 22,634 11,635 2,636 4,638 5,639 6,641 1,644 6,647 6,649 12,650 10,653 1,654 1,656 1,658 1,660 26,661 8,662 1,663 8,666 6,667 0.8,668 2,672 1,676 1,677 4,679 1,687 4,691 30,694 9,695 1,697 1,698 2,704 3.6,706 1,708 1,709 14,710 9.917,711 6.528,712 3.749,713 3.272,714 1.4,715 1.003,716 5.65,717 11.457,718 3.784,719 4.341,720 4.914,721 5.479,722 5.986,723 6.345,724 6.795,725 7.242,726 7.695,727 7.858,728 1,729 46,730 11.145,731 4.815,732 7.594,733 21.796,734 18.499,735 2.094,736 62.833,737 1,738 1,739 294.278,740 96.622,741 77.427,743 34.879,745 96.622,746 329.157,747 77.427,749 42.231,750 56.857,751 78.313,752 27.251,753 4.276,754 294.278,756 294.278,757 174.049,758 34.879,760 249.521,761 81.963,764 51.723,765 66.831,766 53.168,767 294.278,768 112.306,769 96.622,770 294.278,771 39.764,772 63.106,773 18.011,774 88.047,775 294.278,776 112.306,777 96.622,778 0.579,779 0.34,780 0.183,781 0.098,782 24,783 9,784 0.05,785 3,786 1,787 1.074,788 4.389,789 266.975,790 0.074,791 27,792 139.207,793 19.469,794 8.706,795 4.355,796 1.978,797 112.306,798 11.868,799 13.288,801 5.494,802 1.648,804 18.011,805 503.205,806 43,807 12.542,809 0.049,810 56.101,811 63.561,812 0.269,813 0.584,814 0.719,815 0.817,816 0.871,817 0.871,818 5.024,819 1.533,820 5.911,821 4.365,822 4.554,823 5.027,824 2.001,825 6.693,826 4.475,827 6.19,828 1.409,829 7.447,830 3.719,831 4.007,832 4.718,833 1.404,834 7.506,835 3.861,836 7.475,837 1.223,838 9.082,839 3.152,840 6.12,841 7.168,842 2.548,843 10.591,844 5.947,845 8.795,846 1,847 10.776,848 2.888,849 6.431,850 7.766,851 2.498,852 12.233,853 6.183,854 10.151,855 1,856 12.508,857 2.591,858 7.959,859 9.648,860 3.397,861 14.789,862 7.687,863 11.531,864 0.951,865 14.265,866 2.275,867 8.665,868 10.678,869 3.613,870 16.76,871 8.322,872 12.929,873 0.69,874 16.038,875 2.136,876 9.942,877 12.322,878 4.36,879 19.124,880 9.57,881 3.05,882 0.618,883 17.824,884 1.669,885 10.84,886 13.566,887 4.718,888 21.238,889 10.403,890 2.903,891 9.752,892 19.617,893 1.49,894 12.006,895 15.105,896 5.373,897 23.526,898 11.535,899 2.779,900 9.164,901 21.417,902 4.366,903 12.997,904 16.458,905 5.808,906 25.707,907 12.468,908 2.533,909 8.683,910 23.222,911 3.87,912 14.114,913 17.95,914 6.409,915 27.966,916 13.547,917 2.386,918 8.225,919 25.03,920 3.165,921 15.153,922 19.357,923 6.887,924 30.18,925 14.531,926 1.794,927 6.871,928 26.841,929 3.08,930 16.25,931 20.83,932 7.458,933 32.43,934 15.588,935 1.618,936 4.941,937 28.654,938 2.456,939 17.313,940 22.264,941 7.96,942 34.661,943 16.6,944 13203,945 19967,946 23.75,947 36.557,948 51.385,949 51.915,950 51.386,951 50.991,952 50.969,953 63.853,954 6.28,955 143.839,956 49.083,957 5.462,958 5.691,959 6.143,960 5.069,961 5.05,962 7.366,963 2.972,964 16.299,965 4.919,966 7.143,967 1.511,968 1.527,969 1.511,970 1.5,971 1.499,972 1.878,973 0.185,974 4.231,975 1.444,976 4.085,977 4.116,978 4.049,979 4.002,980 7.429,981 4.007,982 3.92,983 3.977,984 3.847,985 3.761,986 5.302,987 3.757,988 3.847,989 3.903,990 3.749,991 3.644,992 4.951,993 3.67,994 3.683,995 3.731,996 3.603,997 3.477,998 4.366,999 3.501,1000 3.403,1001 3.453,1002 3.322,1003 3.212,1004 4.336,1005 3.242,1006 3.306,1007 3.366,1008 3.197,1009 3.071,1010 4.238,1011 3.091,1012 3.111,1013 3.206,1014 2.893,1015 2.941,1016 3.958,1017 2.91,1018 3.111,1019 3.206,1020 2.866,1021 2.941,1022 3.828,1023 2.91,1024 0.131,1025 0.109,1026 0.186,1027 0.118,1028 0.09,1029 4.462,1030 0.128,1031 3.691,1032 0.05,1033 6.341,1034 0.287,1035 4.002,1036 0.086,1037 3.05,1038 4.366,1039 1.701,1040 9.752,1041 2.919,1042 2.033,1043 2.009,1044 2.112,1045 2.117,1046 1.476,1047 2.117,1048 1.874,1049 1.817,1050 2.094,1051 2.051,1052 1.27,1053 2.061,1054 1.758,1055 1.689,1056 1.955,1057 1.982,1058 1.207,1059 1.984,1060 1.51,1061 1.472,1062 1.642,1063 1.647,1064 0.825,1065 1.643,1066 1.295,1067 1.235,1068 1.527,1069 1.607,1070 0.825,1071 1.566,1072 1.153,1073 1.066,1074 1.513,1075 1.419,1076 0.82,1077 1.429,1078 1.153,1079 1.064,1080 1.513,1081 1.376,1082 0.694,1083 1.429,1084 1.125,1085 1.064,1086 1.283,1087 1.376,1088 0.427,1089 1.376,1090 4.234,1092 5.549,1093 2.398,1094 7.062,1095 4.595,1096 8.657,1097 6.605,1098 10.293,1104 8.532,1105 3.192,1107 0.331,1108 3.912,1112 34.826,1113 87.383,1114 189.872,1115 233.728,1116 265.702,1117 283.212,1118 283.212,1119 43.874,1120 8.185,1121 87.39,1122 87.39,1123 29,1124 12.592,1125 4.17,1126 3.322,1127 41.954,1128 144,1129 136,1130 0.14,1131 210.174,1132 357.12,1133 504.585,1134 47683,1136 20.338,1137 0.678,1138 0.565,1139 20.338,1140 16.958,1141 14.759,1142 0.434,1143 0.317,1144 10.606,1145 14.132,1146 10.468,1147 8.617,1148 14.759,1149 10.764,1150 13.103,1151 0.279,1152 0.171,1153 13.103,1154 8.048,1155 11.478,1156 0.182,1157 0.095,1158 11.478,1159 6.013,1160 9.573,1161 0.118,1162 0.052,1163 9.573,1164 4.252,1165 7.69,1166 0.075,1167 0.03,1168 7.69,1169 3.015,1170 0.228,1171 92.869,1172 0.205,1173 29.009,1174 0.365,1175 162,1176 452.029,1177 180.967,1178 433.409,1179 605.13,1180 408,1181 191,1182 466.899,1183 211.523,1184 463.645,1185 682.44,1186 438,1187 4.523}
{0 CHEMBL1833986,1 1.538,2 10.903,3 2.706,4 7.322,5 120.404,6 7.658,7 0.583,8 4.124,9 4.257,10 3.722,11 3.685,12 5.229,13 3.676,14 4.62,15 4.791,16 4.047,17 4.064,18 5.721,19 4.019,20 4.852,21 5.061,22 4.164,23 4.19,24 5.876,25 4.144,26 4.951,27 5.163,28 4.185,29 4.254,30 6.026,31 4.189,32 5.008,33 5.252,34 4.106,35 4.237,36 5.961,37 4.154,38 4.913,39 5.146,40 4.087,41 4.209,42 5.917,43 4.13,44 4.88,45 5.082,46 4.03,47 4.192,48 5.897,49 4.108,50 4.901,51 5.146,52 3.869,53 4.106,54 5.833,55 3.988,56 0.064,57 0.896,58 10.738,59 4.388,60 12.843,61 5.854,62 0.221,63 1.384,64 19.21,65 7.933,66 34.054,67 10.826,68 0.202,69 1.651,70 26.443,71 9.501,72 34.834,73 13.447,74 0.447,75 1.814,76 29.332,77 10.222,78 53.126,79 14.457,80 0.305,81 1.812,82 32.985,83 11.21,84 40.21,85 16.269,86 0.385,87 1.688,88 29.316,89 10.452,90 44.513,91 14.9,92 0.214,93 1.636,94 26.909,95 10.28,96 41.662,97 14.151,98 0.273,99 1.568,100 29.776,101 10.855,102 43.507,103 15.473,104 11,105 54,106 0.25,107 0.623,108 0.756,109 0.79,110 0.799,111 0.799,112 3.473,113 0.889,114 -3.68,115 -3.64,116 -3.47,117 42.6,119 4,120 2,124 1,129 3,130 5,132 3,134 1,136 1,138 2,140 1,144 2,145 2,146 2,149 12,150 1,151 5,152 3,153 4,154 8,155 9,156 1,158 3,162 7,163 10,165 1,166 8,167 1,168 3,169 2,170 6,171 1,172 10,173 2,175 9,177 4,178 9,179 2,181 5,182 3,183 1,184 7,185 1,186 9,187 4,189 5,191 8,192 12,193 3,195 5,197 1,198 4,199 1,200 10,201 4,202 2,203 4,205 2,207 5,208 6,209 5,210 1628,211 21.256,212 21.256,213 21.256,214 21.256,215 21.256,216 18.752,217 15.473,218 12.07,219 21.546,220 17.779,221 17.779,222 17.779,223 17.779,224 17.779,225 13.907,226 22.351,227 5.731,228 18.269,229 4.217,230 1.928,231 1.116,232 0.903,233 0.852,234 0.852,235 4.177,238 1,239 772,240 3.536,241 99.975,242 47.686,243 226.385,244 194.25,246 1.796,247 28.768,249 0.75,250 0.67,251 0.83,252 0.7,253 0.5,254 0.83,255 1,256 0.75,257 66.5,258 338,259 4.825,260 3.57,261 7.056,262 4.342,263 3.362,264 4.923,265 0.98,266 12.181,267 3.296,268 4.278,269 3.286,270 6.562,271 4.09,272 3.102,273 3.959,274 0.4,275 10.402,276 3.065,277 4.119,278 3.137,279 6.26,280 3.877,281 2.887,282 3.641,284 9.354,285 2.861,286 4.046,287 2.86,288 6.112,289 3.642,290 2.645,291 3.31,293 8.797,294 2.634,295 3.777,296 2.5,297 5.702,298 3.414,299 2.414,300 3.099,302 7.56,303 2.414,304 3.597,305 2.414,306 5.414,307 3.333,308 2.388,309 2.968,311 6.928,312 2.257,313 3.414,314 2.314,315 5.045,316 3.154,317 2.226,318 2.468,320 6.08,321 2.057,322 3.214,323 2.177,324 4.957,325 2.73,326 1.747,327 2.414,328 5.182,329 1.706,330 3.028,331 1.64,332 4.664,333 2.544,334 1.575,335 2.263,336 4.647,337 1.522,338 2.874,339 1.506,340 4.281,341 2.381,342 1.394,343 2.023,344 3.867,345 1.371,346 2.66,347 1.341,348 4.172,349 2.232,350 1.275,351 1.688,352 3.453,353 1.216,354 2.5,355 1.254,356 3.838,357 2.096,358 1.104,359 1.5,360 2.809,361 1.089,362 2.318,363 1,364 3.414,365 1.917,366 1,367 1.301,368 2.275,369 0.916,370 1.946,371 0.542,372 3.365,373 1.457,374 0.492,375 0.699,376 1.343,377 0.474,378 1.36,379 0.346,380 2.953,381 0.996,382 0.044,383 0.054,384 0.116,385 0.042,386 14.633,387 0.472,388 0.849,389 0.027,390 41.75,391 1.347,392 20.5,393 0.661,394 21.25,395 0.685,396 26.432,397 0.853,398 32.167,399 0.596,400 31.026,401 1.001,402 7.492,403 0.242,404 7.589,405 0.245,406 0.077,408 0.444,412 0.935,413 1.152,414 0.78,415 0.887,416 0.789,417 0.813,418 0.567,419 1.071,420 0.846,421 1.072,422 0.404,423 1.014,424 0.953,425 1.172,426 0.817,427 0.964,428 0.768,429 0.886,430 0.889,431 1.002,432 1.021,433 1.019,434 0.755,435 1.032,436 0.961,437 1.041,438 0.938,439 0.978,440 0.78,441 0.953,442 0.787,443 0.823,444 0.913,445 0.888,446 0.637,447 0.908,448 1.068,449 1.195,450 1.133,451 1.236,452 1.195,453 1.208,454 0.891,455 1.046,456 1.051,457 1.149,458 0.962,459 1.133,460 6,461 0.179,462 3.444,463 2.229,464 1.67,465 1.299,466 0.835,467 0.68,468 0.369,469 0.297,470 13390,471 32039,472 2.217,473 42.6,474 8,475 4,477 3,478 6,480 2,482 1.742,483 2.09,484 3.375,485 3.211,487 1,488 83.029,489 1.538,490 3.827,491 4.639,492 4.852,493 4.903,494 4.903,495 2.922,496 4.309,497 4.92,498 3.576,499 1662.98,500 8.629,501 22806.1,503 1,506 310.764,507 1.359,508 4.895,509 0.167,510 0.009,511 0.072,512 0.041,513 0.032,514 0.027,515 0.017,516 0.015,517 0.01,518 0.009,519 0.398,520 0.17,521 0.88,522 0.646,523 158.561,524 -0.149,525 0.04,526 0.03,527 0.119,528 -0.09,529 0.108,530 0.203,531 0.026,532 0.018,533 -0.057,534 0.238,535 -0.052,536 -0.055,537 -0.144,538 0.116,539 0.034,540 0.025,541 0.088,542 0.079,543 0.053,544 -0.083,545 -0.05,546 0.055,547 -0.084,548 -0.074,549 -0.069,550 0.041,551 0.012,552 -0.011,553 0.041,554 0.058,555 0.18,556 0.042,557 0.108,558 0.069,559 0.082,560 -0.145,561 -0.189,562 -0.21,563 -0.219,564 -0.157,565 -0.225,566 -0.029,567 -0.115,568 -0.073,569 -0.131,570 -0.057,571 -0.113,572 2.163,573 5.095,574 0.806,575 33.147,576 1.002,577 1.13,578 2.447,579 5.987,580 0.678,581 3.611,582 4.007,583 4.29,584 4.625,585 4.92,586 5.118,587 5.333,588 5.568,589 5.72,590 5.835,591 6.506,592 0.65,593 413.53,594 3.611,595 5.198,596 6.098,597 7.018,598 7.936,599 8.862,600 9.787,601 10.718,602 11.647,603 12.581,604 13,606 1,607 1,609 1,610 1,612 3,613 4,614 6,615 3,616 1,618 5,620 21,622 1,623 1,624 1,628 54,629 22,630 1,631 36,632 59,633 23,634 15,635 3,636 3,637 1,638 6,639 9,644 4,645 2,647 5,649 16,650 7,651 2,653 1,654 1,656 1,658 1,660 23,661 7,662 6,663 8,666 7,667 0.667,668 1,672 1,673 1,674 1,675 2,676 1,677 3,678 2,687 4,691 31,692 2,694 4,695 1,697 3,704 1.9,706 1,709 14.833,710 9.433,711 6.5,712 3.35,713 4.248,714 1.508,715 1.07,716 4.236,717 12.604,718 3.882,719 4.562,720 5.218,721 5.924,722 6.589,723 7.112,724 7.694,725 8.258,726 8.693,727 9.16,728 1,729 54,730 11.473,731 5.179,732 7.683,733 22.228,734 19.847,735 2.183,736 67.667,738 1,739 200.109,740 93.632,741 150.947,743 25.145,745 93.632,746 225.254,747 150.947,749 43.035,750 61.326,751 133.53,752 58.63,753 8.515,754 164.795,756 200.109,757 244.579,758 25.145,760 176.567,761 48.687,764 88.862,765 87.349,766 68.367,767 200.109,768 176.092,769 93.632,770 200.109,771 38.061,772 55.571,773 34.796,774 141.296,775 200.109,776 176.092,777 93.632,778 0.6,779 0.331,780 0.182,781 0.103,782 31,783 13,784 0.102,785 6,786 2,787 1.16,788 4.271,789 309.754,790 0.16,791 25,792 139.58,793 18.732,794 7.01,795 3.54,796 3.532,797 159.307,798 11.064,799 12.8,800 3.406,802 3.27,804 100.591,805 469.833,806 47.5,807 12.095,809 -0.497,810 54.109,811 61.019,812 0.267,813 0.665,814 0.806,815 0.843,816 0.852,817 0.852,818 5.16,819 1.747,820 6.111,821 6.08,822 4.691,823 5.25,824 1.176,825 6.997,826 4.642,827 6.413,828 1.575,829 7.719,830 5.182,831 4.511,832 5.255,834 8.087,835 4.465,836 7.758,837 1.394,838 9.426,839 4.647,840 6.385,841 7.564,842 1.063,843 11.18,844 6.301,845 9.135,846 1.275,847 11.189,848 3.867,849 6.948,850 8.38,852 13.059,853 6.87,854 10.543,855 1.104,856 12.987,857 3.453,858 8.37,859 10.23,860 1.022,861 15.721,862 8.261,863 11.974,864 1,865 14.81,866 2.809,867 9.262,868 11.449,870 17.934,871 9.151,872 13.425,873 0.492,874 16.652,875 2.275,876 10.517,877 13.121,878 0.993,879 20.456,880 10.382,881 3.362,882 0.044,883 18.508,884 1.343,885 11.562,886 14.539,888 22.817,889 11.418,890 3.102,891 12.181,892 20.376,893 0.116,894 12.758,895 16.146,896 0.967,897 25.299,898 12.593,899 2.887,900 10.402,901 22.253,902 4.923,903 13.875,904 17.657,906 27.725,907 13.695,908 2.645,909 9.354,910 24.139,911 3.959,912 15.054,913 19.246,914 0.942,915 30.2,916 14.854,917 2.414,918 8.797,919 26.032,920 3.641,921 16.205,922 20.799,924 32.659,925 15.987,926 2.388,927 7.56,928 27.931,929 3.31,930 17.383,931 22.384,932 0.917,933 35.137,934 17.145,935 2.226,936 6.928,937 29.835,938 3.099,939 18.553,940 23.958,942 37.611,943 18.295,944 12137,945 18951,946 24.679,947 36.586,948 56.33,949 56.444,950 57.689,951 55.245,952 55.309,953 72.621,954 2.76,955 169.988,956 53.837,957 5.825,958 5.57,959 6.47,960 5.411,961 5.362,962 7.923,963 1.96,964 19.667,965 5.296,966 12.858,967 1.565,968 1.568,969 1.602,970 1.535,971 1.536,972 2.017,973 0.077,974 4.722,975 1.495,976 4.233,977 4.263,978 4.209,979 4.15,980 7.437,981 4.161,982 4.002,983 4.05,984 3.894,985 3.911,986 5.239,987 3.9,988 3.866,989 3.912,990 3.83,991 3.744,992 5.064,993 3.759,994 3.732,995 3.791,996 3.597,997 3.627,998 4.87,999 3.608,1000 3.642,1001 3.686,1002 3.581,1003 3.489,1004 4.679,1005 3.511,1006 3.349,1007 3.407,1008 3.29,1009 3.109,1010 4.542,1011 3.145,1012 3.203,1013 3.287,1014 3.124,1015 2.967,1016 4.386,1017 2.997,1018 3.02,1019 3.112,1020 2.9,1021 2.81,1022 4.143,1023 2.824,1024 0.134,1025 0.099,1026 0.196,1027 0.121,1028 0.093,1029 4.825,1030 0.137,1031 3.57,1032 0.027,1033 7.056,1034 0.338,1035 4.342,1036 0.092,1037 3.362,1038 4.923,1039 0.98,1040 12.181,1041 3.296,1042 2.001,1043 1.983,1044 2.063,1045 2.076,1046 1.254,1047 2.072,1048 1.886,1049 1.856,1050 1.941,1051 2.036,1052 1.19,1053 2.011,1054 1.664,1055 1.616,1056 1.753,1057 1.865,1058 1.041,1059 1.837,1060 1.552,1061 1.501,1062 1.736,1063 1.722,1064 0.825,1065 1.729,1066 1.192,1067 1.152,1068 1.513,1069 1.512,1070 0.825,1071 1.473,1072 1.153,1073 1.064,1074 1.513,1075 1.376,1076 0.752,1077 1.429,1078 1.153,1079 1.064,1080 1.363,1081 1.376,1082 0.627,1083 1.429,1084 1.095,1085 1.024,1086 1.282,1087 1.36,1088 0.303,1089 1.347,1090 4.29,1091 2.565,1092 5.666,1093 4.511,1094 7.239,1095 6.402,1096 8.9,1097 8.296,1098 10.608,1102 11.27,1104 5.102,1105 3.726,1107 1.899,1112 35.079,1113 83.029,1114 206.671,1115 250.499,1116 262.009,1117 264.764,1118 264.764,1119 45.985,1120 8.356,1121 135.6,1122 135.6,1123 29,1124 13.082,1125 4.524,1126 3.644,1127 39.347,1128 118,1129 144,1130 0.162,1131 209.316,1132 348.09,1133 502.492,1134 48266,1136 21.112,1137 0.681,1138 0.546,1139 21.112,1140 16.929,1141 15.081,1142 0.419,1143 0.296,1144 10.553,1145 14.613,1146 10.386,1147 8.52,1148 15.081,1149 10.669,1150 14.314,1151 0.265,1152 0.161,1153 14.314,1154 8.695,1155 11.647,1156 0.162,1157 0.082,1158 11.647,1159 5.884,1160 10.162,1161 0.101,1162 0.043,1163 10.162,1164 4.363,1165 8.598,1166 0.063,1167 0.023,1168 8.598,1169 3.079,1170 0.248,1171 93.817,1172 0.201,1173 28.701,1174 0.461,1175 180,1176 447.961,1177 193.76,1178 446.116,1179 628.89,1180 418,1181 222,1182 484.946,1183 235.651,1184 494.633,1185 733.54,1186 468,1187 5.086}
{0 CHEMBL1835035,1 1.463,2 10.517,3 4.161,4 17.312,5 116.98,6 7.176,7 0.606,8 4.096,9 4.231,10 3.642,11 3.658,12 5.145,13 3.629,14 4.647,15 4.825,16 4.03,17 4.102,18 5.662,19 4.047,20 4.932,21 5.156,22 4.062,23 4.247,24 5.856,25 4.154,26 4.983,27 5.224,28 4.065,29 4.241,30 5.935,31 4.139,32 4.927,33 5.168,34 4.009,35 4.186,36 5.878,37 4.094,38 4.87,39 5.089,40 3.981,41 4.19,42 5.834,43 4.082,44 4.914,45 5.153,46 3.882,47 4.144,48 5.837,49 4.025,50 4.834,51 5.083,52 3.755,53 4.035,54 5.731,55 3.906,56 0.08,57 0.842,58 11.685,59 4.77,60 10.267,61 6.582,62 0.162,63 1.378,64 21.493,65 8.436,66 26.127,67 11.969,68 0.229,69 1.699,70 30.376,71 11.273,72 33.397,73 16.213,74 0.319,75 1.754,76 32.616,77 11.983,78 42.006,79 17.392,80 0.276,81 1.654,82 30.997,83 10.796,84 37.416,85 15.703,86 0.28,87 1.598,88 28.251,89 11.144,90 35.475,91 15.834,92 0.25,93 1.593,94 30.57,95 11.139,96 41.093,97 15.996,98 0.218,99 1.447,100 28.432,101 10.382,102 32.384,103 15.01,104 11,105 48,106 0.24,107 0.6,108 0.759,109 0.832,110 0.855,111 0.855,112 3.409,113 0.931,114 -3.77,115 -3.74,116 -3.55,117 42.6,119 5,122 1,124 1,129 5,130 5,131 1,132 1,137 1,138 2,140 1,144 1,145 1,146 1,147 1,149 12,151 3,152 1,153 1,154 9,155 14,156 1,158 3,162 8,163 10,164 1,166 6,168 1,169 2,170 8,171 1,172 10,173 2,175 3,177 3,178 15,179 1,181 4,182 3,183 1,184 5,185 1,186 14,187 2,189 4,191 5,192 12,193 2,195 5,198 4,200 8,201 3,203 6,205 2,207 2,208 6,209 2,210 1357,211 19.809,212 19.809,213 19.809,214 19.809,215 19.809,216 17.434,217 15.473,218 11.549,219 19.972,220 16.331,221 16.331,222 16.331,223 16.331,224 16.331,225 12.614,226 22.351,227 5.526,228 16.627,229 4.292,230 2.091,231 1.117,232 0.672,233 0.532,234 0.532,235 4.12,238 1,239 678,240 3,242 110.461,243 201.37,244 173.282,246 1.707,247 21.03,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 61.5,258 305,259 4.824,260 3.57,261 7.054,262 4.342,263 3.357,264 4.923,265 0.98,266 12.173,267 3.306,268 4.306,269 3.262,270 6.269,271 3.91,272 2.921,273 3.993,274 0.4,275 9.417,276 2.89,277 4.068,278 2.924,279 6.136,280 3.667,281 2.668,282 3.681,284 8.868,285 2.66,286 3.84,287 2.715,288 5.768,289 3.559,290 2.593,291 3.285,293 7.915,294 2.504,295 3.562,296 2.429,297 5.327,298 3.27,299 2.29,300 2.908,302 6.723,303 2.24,304 3.39,305 2.17,306 5.042,307 3.07,308 2.103,309 2.479,311 5.998,312 2.028,313 3.186,314 2.118,315 4.904,316 2.705,317 1.715,318 2.419,320 5.03,321 1.688,322 2.995,323 1.597,324 4.598,325 2.54,326 1.561,327 2.203,328 4.485,329 1.526,330 2.76,331 1.46,332 4.112,333 2.392,334 1.401,335 1.835,336 3.427,337 1.388,338 2.607,339 1.407,340 3.839,341 2.27,342 1.276,343 1.63,344 3.05,345 1.265,346 2.436,347 1.207,348 3.612,349 2.106,350 1.109,351 1.43,352 2.8,353 1.102,354 2.183,355 1,356 3.344,357 2,358 1,359 1.03,360 2.136,361 1,362 2,363 0.707,364 3.268,365 1.635,366 0.697,367 1,368 1.689,369 0.652,370 1.948,371 0.528,372 3.247,373 1.454,374 0.486,375 0.694,376 1.344,377 0.469,378 1.408,379 0.407,380 2.924,381 1.09,382 0.117,383 0.141,384 0.306,385 0.113,386 13.833,387 0.477,388 0.747,389 0.026,390 36.75,391 1.267,392 18,393 0.621,394 18.75,395 0.647,396 25.786,397 0.889,398 30.567,399 0.566,400 27.405,401 0.945,402 6.78,403 0.234,404 7.318,405 0.252,406 0.089,408 0.39,412 0.824,413 1.12,414 0.829,415 0.954,416 0.702,417 0.895,418 0.74,419 1.144,420 0.848,421 0.995,422 0.413,423 0.939,424 0.948,425 1.051,426 0.959,427 0.997,428 0.778,429 0.98,430 0.742,431 1.025,432 0.894,433 1.005,434 0.694,435 0.974,436 1.105,437 0.969,438 0.949,439 0.909,440 1.015,441 0.906,442 0.616,443 1.035,444 0.997,445 1.138,446 0.609,447 1.118,448 1.083,449 1.081,450 1.076,451 1.102,452 1.192,453 1.093,454 0.982,455 1.082,456 1.039,457 1.108,458 1.072,459 1.087,460 5.5,461 0.159,462 3.111,463 2.264,464 1.779,465 1.206,466 0.794,467 0.534,468 0.315,469 0.252,470 10616,471 23613,472 2.171,473 46.3,474 6,475 9,476 1,477 1,478 4,480 4,482 1.725,483 2.047,484 3.353,485 1.595,487 1,488 79.016,489 1.463,490 3.664,491 4.638,492 5.083,493 5.222,494 5.222,495 2.885,496 4.513,497 4.823,498 3.507,499 1423.98,500 8.434,501 18563.4,503 1,505 1,506 310.764,507 1.361,508 4.797,509 0.167,510 0.008,511 0.065,512 0.047,513 0.038,514 0.027,515 0.018,516 0.014,517 0.01,518 0.009,519 0.403,520 0.17,521 0.88,522 0.674,523 144.945,524 -0.008,525 0.081,526 0.05,527 0.078,528 -0.054,529 0.072,530 0.054,531 -0.034,532 0.061,533 0.029,534 0.192,535 0.044,536 -0.08,537 -0.03,538 -0.009,539 0.008,540 -0.002,541 0.008,542 0.124,543 -0.031,544 0.07,545 -0.01,546 0.094,547 0.017,548 -0.103,549 0.039,550 0.028,551 0.07,552 -0.051,553 0.069,554 0.154,555 -0.015,556 -0.062,557 -0.121,558 0.085,559 -0.119,560 -0.103,561 -0.103,562 -0.105,563 -0.105,564 -0.109,565 -0.105,566 -0.058,567 -0.126,568 -0.064,569 -0.11,570 -0.068,571 -0.091,572 2.085,573 5.055,574 0.828,575 29.757,576 0.994,577 1.127,578 2.542,579 6.463,580 0.668,581 3.526,582 3.892,583 4.22,584 4.564,585 4.836,586 5.03,587 5.268,588 5.497,589 5.631,590 5.768,591 6.202,592 0.631,593 387.53,594 3.526,595 5.094,596 5.974,597 6.882,598 7.785,599 8.704,600 9.618,601 10.543,602 11.464,603 12.393,604 9.3,607 1,609 1,610 2,612 1,613 4,614 7,615 1,616 1,618 4,619 1,620 20,622 1,624 1,628 54,629 21,630 2,631 33,632 58,633 23,634 15,635 7,636 5,637 1,638 5,639 8,644 6,647 6,649 16,650 7,653 1,654 1,656 1,658 1,660 25,661 4,662 4,663 6,666 5,667 0.6,668 1,671 1,674 1,676 2,677 3,678 2,687 3,688 1,691 29,692 1,694 5,695 1,697 1,704 1.9,706 1,709 14.167,710 9.817,711 6.194,712 3.429,713 4.007,714 1.485,715 1.049,716 4.649,717 12.26,718 3.807,719 4.483,720 5.177,721 5.9,722 6.517,723 7.07,724 7.658,725 8.222,726 8.646,727 9.101,728 1,729 48,730 10.742,731 4.703,732 7.598,733 21.004,734 18.177,735 2.098,736 60.833,737 1,738 1,739 247.193,740 112.997,741 86.133,743 25.145,745 112.997,746 272.338,747 86.133,748 8.396,749 45.57,750 56.429,751 76.294,752 45.069,753 16.059,754 223.651,756 247.193,757 199.13,758 25.145,760 200.109,761 72.229,764 73.179,765 91.277,766 34.674,767 247.193,768 111.278,769 112.997,770 247.193,771 39.125,772 75.649,773 34.796,774 74.705,775 247.193,776 111.278,777 112.997,778 0.589,779 0.346,780 0.196,781 0.109,782 26,783 11,784 0.069,785 4,786 2,787 1.167,788 4.023,789 276.316,790 0.167,791 24,792 136.881,793 18.408,794 7.323,795 3.346,796 3.923,797 92.716,798 14.013,799 4.268,800 3.454,802 3.73,803 1.794,804 67.693,805 471.469,806 44,807 12.055,809 -0.418,810 53.672,811 60.853,812 0.254,813 0.637,814 0.806,815 0.883,816 0.907,817 0.907,818 5.063,819 1.561,820 5.974,821 5.03,822 4.575,823 5.17,824 1.176,825 6.834,826 4.539,827 6.294,828 1.401,829 7.557,830 4.485,831 4.205,832 5.121,834 7.816,835 4.158,836 7.628,837 1.276,838 9.242,839 3.427,840 6.209,841 7.499,842 1.063,843 10.968,844 6.141,845 9.002,846 1.109,847 10.987,848 3.05,849 6.673,850 8.337,852 12.821,853 6.596,854 10.412,855 1,856 12.773,857 2.8,858 8.15,859 10.194,860 1.022,861 15.502,862 8.056,863 11.849,864 0.697,865 14.587,866 2.136,867 8.999,868 11.441,870 17.723,871 8.893,872 13.308,873 0.486,874 16.422,875 1.689,876 10.276,877 13.108,878 0.993,879 20.26,880 10.156,881 3.357,882 0.117,883 18.275,884 1.344,885 11.306,886 14.543,888 22.637,889 11.172,890 2.921,891 12.173,892 20.142,893 0.306,894 12.512,895 16.146,896 0.967,897 25.135,898 12.365,899 2.668,900 9.417,901 22.021,902 4.923,903 13.627,904 17.665,906 27.579,907 13.465,908 2.593,909 8.868,910 23.909,911 3.993,912 14.813,913 19.25,914 0.942,915 30.068,916 14.638,917 2.29,918 7.915,919 25.805,920 3.681,921 15.969,922 20.807,924 32.541,925 15.778,926 2.103,927 6.723,928 27.709,929 3.285,930 17.154,931 22.39,932 0.917,933 35.032,934 16.949,935 1.715,936 5.998,937 29.619,938 2.908,939 18.331,940 23.964,942 37.519,943 18.11,944 9878,945 14912,946 22.482,947 36.097,948 51.028,949 51.365,950 51.61,951 50.57,952 50.589,953 67.3,954 2.76,955 150.72,956 49.663,957 5.824,958 5.57,959 6.856,960 5.379,961 5.357,962 7.923,963 1.96,964 19.66,965 5.306,966 12.231,967 1.546,968 1.557,969 1.564,970 1.532,971 1.533,972 2.039,973 0.084,974 4.567,975 1.505,976 4.239,977 4.266,978 4.213,979 4.166,980 7.437,981 4.175,982 3.933,983 3.989,984 3.889,985 3.799,986 5.059,987 3.811,988 3.859,989 3.921,990 3.725,991 3.735,992 4.929,993 3.724,994 3.67,995 3.708,996 3.608,997 3.538,998 4.86,999 3.551,1000 3.377,1001 3.436,1002 3.302,1003 3.151,1004 4.496,1005 3.18,1006 3.239,1007 3.314,1008 3.135,1009 3.05,1010 4.289,1011 3.06,1012 3.111,1013 3.206,1014 2.933,1015 2.941,1016 4.093,1017 2.91,1018 3.106,1019 3.189,1020 2.866,1021 2.916,1022 3.834,1023 2.908,1024 0.146,1025 0.108,1026 0.214,1027 0.132,1028 0.102,1029 4.824,1030 0.149,1031 3.57,1032 0.03,1033 7.054,1034 0.369,1035 4.342,1036 0.1,1037 3.357,1038 4.923,1039 0.98,1040 12.173,1041 3.306,1042 2.014,1043 1.998,1044 2.111,1045 2.088,1046 1.479,1047 2.095,1048 1.912,1049 1.881,1050 2.049,1051 2.023,1052 1.256,1053 2.027,1054 1.842,1055 1.791,1056 1.968,1057 1.979,1058 1.109,1059 1.989,1060 1.51,1061 1.446,1062 1.728,1063 1.802,1064 0.825,1065 1.779,1066 1.379,1067 1.313,1068 1.528,1069 1.578,1070 0.809,1071 1.56,1072 1.25,1073 1.19,1074 1.513,1075 1.509,1076 0.79,1077 1.49,1078 1.154,1079 1.092,1080 1.485,1081 1.419,1082 0.604,1083 1.429,1084 1.153,1085 1.064,1086 1.353,1087 1.376,1088 0.381,1089 1.426,1090 4.205,1092 5.557,1093 3.045,1094 7.101,1095 5.416,1096 8.737,1097 7.545,1098 10.426,1099 1.91,1102 5.669,1104 6.225,1105 3.732,1107 0.478,1112 34.09,1113 79.016,1114 197.835,1115 250.425,1116 274.499,1117 282.009,1118 282.009,1119 42.04,1120 8.253,1121 88.73,1122 88.73,1123 28,1124 12.897,1125 4.459,1126 3.585,1127 39.383,1128 105,1129 117,1130 0.183,1131 206.048,1132 341.09,1133 494.518,1134 43487,1136 19.957,1137 0.688,1138 0.57,1139 19.957,1140 16.534,1141 14.097,1142 0.427,1143 0.31,1144 10.134,1145 13.684,1146 9.906,1147 8.211,1148 14.097,1149 10.238,1150 13.137,1151 0.274,1152 0.168,1153 13.137,1154 8.042,1155 11.23,1156 0.168,1157 0.09,1158 11.23,1159 6.022,1160 9.959,1161 0.105,1162 0.048,1163 9.959,1164 4.555,1165 8.213,1166 0.066,1167 0.026,1168 8.213,1169 3.302,1170 0.281,1171 87.418,1172 0.211,1173 27.121,1174 0.527,1175 162,1176 389.004,1177 172.818,1178 387.931,1179 548.4,1180 364,1181 196,1182 424.817,1183 207.264,1184 434.141,1185 638.94,1186 410,1187 6.208}
{0 CHEMBL1835039,1 1.45,2 10.069,3 4.146,4 17.185,5 118.527,6 6.956,7 0.625,8 4.111,9 4.251,10 3.62,11 3.652,12 5.19,13 3.617,14 4.644,15 4.838,16 4.036,17 4.085,18 5.674,19 4.036,20 4.898,21 5.086,22 4.094,23 4.277,24 5.91,25 4.189,26 5.143,27 5.409,28 4.082,29 4.33,30 6.061,31 4.202,32 5.064,33 5.337,34 4.029,35 4.251,36 5.96,37 4.137,38 4.9,39 5.113,40 4.008,41 4.232,42 5.898,43 4.121,44 4.993,45 5.238,46 3.918,47 4.206,48 5.933,49 4.076,50 4.923,51 5.18,52 3.753,53 4.093,54 5.845,55 3.949,56 0.086,57 0.856,58 12.489,59 4.95,60 12.971,61 7.005,62 0.184,63 1.367,64 22.396,65 8.413,66 30.928,67 12.256,68 0.187,69 1.713,70 28.881,71 10.975,72 33.936,73 15.801,74 0.405,75 1.965,76 39.431,77 13.862,78 54.265,79 20.686,80 0.317,81 1.791,82 36.674,83 12.687,84 45.142,85 18.958,86 0.282,87 1.655,88 29.417,89 11.615,90 37.318,91 16.622,92 0.259,93 1.696,94 33.431,95 12.111,96 45.999,97 17.72,98 0.267,99 1.553,100 31.485,101 11.039,102 43.085,103 16.338,104 56,105 49,106 0.237,107 0.598,108 0.749,109 0.811,110 0.817,111 0.817,112 3.409,113 0.918,114 -3.77,115 -3.74,116 -3.55,117 41.1,118 4,121 1,122 1,124 1,129 5,130 5,131 1,132 1,137 1,138 2,140 1,144 1,145 1,146 1,147 1,149 11,151 3,152 1,153 1,154 9,155 14,156 1,158 3,162 9,163 11,164 1,166 6,168 1,169 2,170 7,171 1,172 10,173 2,175 3,177 3,178 17,179 1,181 4,182 3,183 1,184 5,185 1,186 14,187 2,189 4,191 6,192 12,193 2,195 5,198 3,200 8,201 3,203 7,205 2,207 3,208 5,209 3,210 1342,211 18.712,212 18.712,213 18.712,214 18.712,215 18.712,216 16.337,217 15.473,218 10.456,219 18.878,220 15.772,221 15.772,222 15.772,223 15.772,224 15.772,225 12.055,226 22.351,227 4.952,228 16.063,229 4.358,230 2.143,231 1.217,232 0.836,233 0.8,234 0.8,235 4.095,238 1,239 622,240 4.183,242 113.339,243 126.75,244 179.435,246 1.662,247 22.139,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 61.5,258 292,259 4.825,260 3.571,261 7.087,262 4.358,263 3.373,264 4.923,265 0.98,266 12.185,267 3.322,268 4.315,269 3.355,270 7.024,271 4.261,272 3.269,273 3.993,274 0.4,275 11.35,276 3.243,277 4.281,278 3.224,279 6.269,280 3.909,281 2.919,282 3.681,284 9.416,285 2.889,286 4.068,287 2.91,288 6.133,289 3.661,290 2.661,291 3.352,293 8.856,294 2.655,295 3.79,296 2.525,297 5.724,298 3.374,299 2.405,300 3.204,302 7.662,303 2.328,304 3.515,305 2.267,306 5.063,307 3.105,308 2.144,309 2.888,311 6.063,312 2.054,313 3.192,314 2.147,315 4.959,316 2.719,317 1.728,318 2.426,320 5.177,321 1.702,322 3.022,323 1.666,324 4.672,325 2.563,326 1.592,327 2.254,328 4.674,329 1.544,330 2.765,331 1.462,332 4.247,333 2.34,334 1.356,335 1.84,336 3.597,337 1.331,338 2.622,339 1.385,340 4.11,341 2.256,342 1.267,343 1.653,344 3.42,345 1.25,346 2.415,347 1.202,348 3.838,349 2.089,350 1.092,351 1.399,352 2.794,353 1.085,354 2.181,355 0.704,356 3.356,357 1.633,358 0.695,359 1.027,360 1.685,361 0.65,362 1.934,363 0.512,364 3.268,365 1.434,366 0.464,367 0.67,368 1.278,369 0.449,370 1.33,371 0.324,372 2.945,373 0.98,378 0.827,379 -0.032,380 2.621,381 0.439,382 -0.536,383 -0.68,384 -1.459,385 -0.52,386 13.833,387 0.477,388 1.111,389 0.038,390 36.25,391 1.25,392 18,393 0.621,394 18.25,395 0.629,396 28.538,397 0.984,398 31.167,399 0.557,400 28.338,401 0.977,402 6.783,403 0.234,404 6.864,405 0.237,406 0.234,407 0.036,408 0.39,412 0.837,413 1.18,414 0.873,415 1.015,416 0.802,417 0.952,418 0.734,419 1.032,420 0.707,421 0.828,422 0.41,423 0.768,424 1.021,425 1.285,426 1.128,427 1.23,428 0.879,429 1.197,430 0.755,431 0.94,432 0.896,433 0.945,434 0.68,435 0.936,436 0.92,437 0.864,438 0.802,439 0.805,440 0.867,441 0.79,442 0.623,443 1.1,444 1.044,445 1.206,446 0.627,447 1.18,448 1.019,449 1.126,450 1.065,451 1.137,452 1.122,453 1.115,454 1.061,455 1.08,456 1.124,457 1.132,458 1.047,459 1.134,460 8,461 0.209,462 4.222,463 2.451,464 2.028,465 1.532,466 1.092,467 0.865,468 0.427,469 0.252,470 9581,471 21960,472 2.021,473 48.2,474 9,475 9,476 1,477 1,478 4,480 3,482 1.725,483 1.822,484 3.292,485 1.595,487 1,488 81.178,489 1.45,490 3.664,491 4.591,492 4.972,493 5.007,494 5.007,495 2.79,496 4.418,497 4.824,498 3.477,499 1411.66,500 8.439,501 18387.8,503 1,505 1,506 325.212,507 1.723,508 4.745,509 0.25,510 0.012,511 0.086,512 0.05,513 0.043,514 0.033,515 0.025,516 0.022,517 0.013,518 0.009,519 0.545,520 0.17,521 1,522 1.264,523 144.673,525 0.051,526 0.042,527 0.053,528 -0.132,529 0.052,530 0.095,531 0.091,532 0.233,533 0.213,534 0.228,535 0.237,536 -0.133,537 -0.176,538 -0.192,539 -0.189,540 -0.075,541 -0.197,542 0.098,543 0.033,544 0.08,545 0.04,546 0.061,547 0.055,548 -0.011,549 0.089,550 0.182,551 0.18,552 0.022,553 0.202,554 0.14,555 -0.044,556 -0.109,557 -0.165,558 0.067,559 -0.167,560 -0.077,561 -0.143,562 -0.098,563 -0.13,564 -0.084,565 -0.119,566 -0.11,567 -0.104,568 -0.149,569 -0.144,570 -0.074,571 -0.148,572 2.107,573 5.046,574 0.621,575 29.151,576 0.992,577 1.13,578 2.542,579 6.463,580 0.658,581 3.497,582 3.912,583 4.19,584 4.489,585 4.771,586 4.997,587 5.231,588 5.447,589 5.557,590 5.631,591 6.125,592 0.618,593 389.55,594 3.497,595 5.094,596 5.969,597 6.891,598 7.793,599 8.718,600 9.633,601 10.561,602 11.483,603 12.414,604 8.9,607 1,609 1,610 2,612 1,613 4,614 7,615 1,616 1,618 4,619 1,620 20,622 1,624 1,628 56,629 21,630 2,631 32,632 59,633 23,634 15,635 7,636 5,637 1,638 4,639 7,642 4,643 1,647 1,649 16,650 7,653 1,654 1,656 1,658 1,660 27,661 4,662 4,663 6,666 5,667 0.5,668 1,671 1,674 1,676 2,677 2,678 2,687 2,688 5,691 29,692 1,695 1,697 1,699 1,704 1.8,706 1,709 15.917,710 11.567,711 6.028,712 3.262,713 4.029,714 1.504,715 0.99,716 4.758,717 12.024,718 3.784,719 4.494,720 5.166,721 5.881,722 6.507,723 7.067,724 7.656,725 8.218,726 8.639,727 9.081,728 0.857,729 49,730 10.707,731 4.598,732 7.658,733 20.644,734 17.38,735 2.158,736 62.583,737 1,738 1,739 270.735,740 135.626,741 86.133,743 25.145,745 135.626,746 295.88,747 86.133,748 43.697,749 32.897,750 56.429,751 76.294,752 45.069,753 16.059,754 247.193,756 270.735,757 221.759,758 25.145,760 235.422,761 60.458,764 95.808,765 91.277,766 34.674,767 270.735,768 111.278,769 135.626,770 270.735,771 26.452,772 110.95,773 34.796,774 74.705,775 270.735,776 111.278,777 135.626,778 0.611,779 0.347,780 0.174,781 0.099,782 26,783 13,784 0.085,785 5,786 2,787 1.222,788 3.828,789 272.17,790 0.222,791 18,792 134.127,793 19.683,794 7.011,795 3.564,796 3.771,797 92.716,798 13.836,799 4.258,800 3.429,802 3.596,803 1.784,804 67.693,805 517.639,806 43,807 12.046,809 -0.44,810 55.556,811 63.268,812 0.25,813 0.631,814 0.79,815 0.856,816 0.862,817 0.862,818 5.069,819 1.592,820 6.033,821 5.177,822 4.595,823 5.182,824 1.176,825 6.94,826 4.56,827 6.347,828 1.356,829 7.665,830 4.674,831 4.511,832 5.255,834 8.152,835 4.477,836 7.709,837 1.267,838 9.402,839 3.597,840 6.333,841 7.535,842 1.063,843 11.207,844 6.273,845 9.107,846 1.092,847 11.198,848 3.42,849 7.004,850 8.409,852 13.186,853 6.945,854 10.534,855 0.695,856 13.031,857 2.794,858 8.394,859 10.229,860 1.022,861 15.83,862 8.315,863 11.983,864 0.464,865 14.89,866 1.685,867 9.368,868 11.479,870 18.103,871 9.285,872 13.449,874 16.766,875 1.278,876 10.616,877 13.131,878 0.993,879 20.623,880 10.517,881 3.373,882 -0.536,883 18.657,885 11.714,886 14.563,888 23.013,889 11.608,890 3.269,891 12.185,892 20.558,893 -1.459,894 12.917,895 16.159,896 0.967,897 25.496,898 12.797,899 2.919,900 11.35,901 22.468,902 4.923,903 14.068,904 17.675,906 27.935,907 13.937,908 2.661,909 9.416,910 24.384,911 3.993,912 15.259,913 19.257,914 0.942,915 30.411,916 15.115,917 2.405,918 8.856,919 26.306,920 3.681,921 16.434,922 20.812,924 32.872,925 16.277,926 2.144,927 7.662,928 28.232,929 3.352,930 17.624,931 22.393,932 0.917,933 35.348,934 17.455,935 1.728,936 6.063,937 30.163,938 3.204,939 18.81,940 23.966,942 37.82,943 18.628,944 9362,945 14364,946 20.403,947 36.858,948 50.914,949 51.009,950 51.871,951 49.893,952 49.933,953 66.62,954 2.76,955 156.316,956 49.003,957 5.675,958 5.571,959 6.367,960 5.394,961 5.373,962 7.923,963 1.96,964 19.672,965 5.322,966 18.561,967 1.591,968 1.594,969 1.621,970 1.559,971 1.56,972 2.082,973 0.086,974 4.885,975 1.531,976 4.239,977 4.266,978 4.213,979 4.166,980 7.437,981 4.175,982 3.932,983 3.988,984 3.889,985 3.797,986 5.059,987 3.81,988 3.815,989 3.876,990 3.694,991 3.693,992 4.929,993 3.684,994 3.666,995 3.705,996 3.602,997 3.536,998 4.861,999 3.549,1000 3.378,1001 3.443,1002 3.293,1003 3.154,1004 4.511,1005 3.177,1006 3.253,1007 3.332,1008 3.133,1009 3.053,1010 4.358,1011 3.063,1012 3.172,1013 3.256,1014 2.965,1015 2.983,1016 4.114,1017 2.968,1018 3.041,1019 3.131,1020 2.868,1021 2.849,1022 3.92,1023 2.843,1024 0.151,1025 0.112,1026 0.221,1027 0.136,1028 0.105,1029 4.825,1030 0.154,1031 3.571,1032 0.031,1033 7.087,1034 0.381,1035 4.358,1036 0.104,1037 3.373,1038 4.923,1039 0.98,1040 12.185,1041 3.322,1042 2.013,1043 1.998,1044 2.086,1045 2.079,1046 1.328,1047 2.081,1048 1.908,1049 1.879,1050 2.027,1051 2.021,1052 1.24,1053 2.017,1054 1.795,1055 1.743,1056 1.962,1057 1.938,1058 1.105,1059 1.959,1060 1.51,1061 1.446,1062 1.728,1063 1.802,1064 0.791,1065 1.779,1066 1.38,1067 1.313,1068 1.651,1069 1.59,1070 0.761,1071 1.599,1072 1.297,1073 1.217,1074 1.509,1075 1.511,1076 0.604,1077 1.519,1078 1.169,1079 1.111,1080 1.417,1081 1.493,1082 0.469,1083 1.471,1084 1.13,1085 1.064,1086 1.417,1087 1.333,1088 0.469,1089 1.346,1090 4.174,1092 5.565,1093 3.045,1094 7.128,1095 5.416,1096 8.775,1097 7.545,1098 10.469,1099 10.681,1102 5.656,1105 3.633,1107 0.241,1109 0.092,1112 34.617,1113 81.178,1114 205.196,1115 257.073,1116 278.418,1117 280.418,1118 280.418,1119 49.734,1120 7.995,1121 88.73,1122 88.73,1123 22,1124 12.917,1125 4.459,1126 3.585,1127 44.43,1128 104,1129 117,1130 0.212,1131 213.442,1132 353.45,1133 512.558,1134 30296,1136 20.922,1137 0.721,1138 0.603,1139 20.922,1140 17.499,1141 13.647,1142 0.426,1143 0.306,1144 9.683,1145 13.232,1146 9.208,1147 7.772,1148 13.647,1149 9.787,1150 13.9,1151 0.284,1152 0.179,1153 13.9,1154 8.795,1155 11.004,1156 0.169,1157 0.088,1158 11.004,1159 5.729,1160 8.916,1161 0.101,1162 0.04,1163 8.916,1164 3.538,1165 7.404,1166 0.063,1167 0.022,1168 7.404,1169 2.531,1170 0.323,1171 84.715,1172 0.221,1173 26.971,1174 0.613,1175 162,1176 389.004,1177 172.818,1178 390.532,1179 548.12,1180 364,1181 195,1182 423.817,1183 206.431,1184 437.775,1185 639.22,1186 409,1187 4.538}
{0 CHEMBL1835141,1 1.503,2 10.167,3 3.36,4 11.29,5 117.677,6 7.417,7 0.571,8 4.119,9 4.251,10 3.7,11 3.68,12 5.17,13 3.662,14 4.636,15 4.816,16 4.021,17 4.063,18 5.661,19 4.015,20 4.847,21 5.059,22 4.11,23 4.183,24 5.822,25 4.123,26 4.951,27 5.166,28 4.166,29 4.254,30 5.986,31 4.181,32 5,33 5.244,34 4.088,35 4.232,36 5.934,37 4.145,38 4.924,39 5.159,40 4.053,41 4.213,42 5.888,43 4.123,44 4.9,45 5.115,46 3.988,47 4.191,48 5.851,49 4.091,50 4.885,51 5.131,52 3.817,53 4.088,54 5.777,55 3.964,56 0.069,57 0.879,58 11.289,59 4.658,60 10.652,61 6.325,62 0.179,63 1.377,64 20.64,65 7.93,66 28.1,67 11.167,68 0.195,69 1.617,70 27.053,71 9.726,72 32.406,73 13.911,74 0.414,75 1.794,76 30.186,77 10.687,78 49.622,79 15.312,80 0.279,81 1.801,82 33.036,83 11.139,84 36.644,85 16.334,86 0.372,87 1.691,88 30.153,89 10.787,90 43.788,91 15.516,92 0.202,93 1.628,94 28.747,95 10.921,96 38.582,97 15.332,98 0.243,99 1.537,100 29.637,101 10.632,102 38.119,103 15.303,104 11,105 53,106 0.245,107 0.63,108 0.789,109 0.81,110 0.81,111 0.81,112 3.442,113 0.907,114 -3.83,115 -3.79,116 -3.6,117 42.6,119 4,120 2,122 1,124 1,129 3,130 5,132 2,134 1,137 1,138 2,140 1,144 1,145 1,146 1,147 1,149 12,151 5,152 1,153 2,154 8,155 9,156 1,158 3,162 7,163 10,165 1,166 8,167 1,168 3,169 2,170 5,171 1,172 10,173 1,175 9,177 3,178 9,179 1,181 5,182 3,183 1,184 5,185 1,186 9,187 2,189 5,191 7,192 12,193 2,195 5,198 3,200 10,201 3,202 2,203 4,205 2,207 4,208 6,209 4,210 1490,211 20.549,212 20.549,213 20.549,214 20.549,215 20.549,216 18.174,217 15.473,218 11.621,219 20.761,220 17.296,221 17.296,222 17.296,223 17.296,224 17.296,225 13.579,226 22.351,227 5.523,228 17.671,229 4.252,230 1.895,231 0.917,232 0.792,233 0.792,234 0.792,235 4.144,238 1,239 699,240 3.536,241 96.239,242 117.371,243 130.714,244 185.287,246 1.711,247 24.262,249 1,250 0.83,251 1,252 0.8,253 0.5,254 1,255 1,256 0.88,257 64,258 305,259 4.825,260 3.57,261 7.056,262 4.342,263 3.362,264 4.923,265 0.98,266 12.181,267 3.296,268 4.307,269 3.287,270 6.562,271 4.09,272 3.103,273 3.993,274 0.4,275 10.402,276 3.065,277 4.12,278 3.138,279 6.269,280 3.906,281 2.918,282 3.681,284 9.416,285 2.885,286 4.068,287 2.905,288 6.131,289 3.659,290 2.661,291 3.308,293 8.85,294 2.651,295 3.772,296 2.507,297 5.71,298 3.414,299 2.414,300 3.072,302 7.6,303 2.414,304 3.51,305 2.414,306 5.414,307 3.346,308 2.388,309 2.874,311 6.928,312 2.285,313 3.414,314 2.244,315 5.058,316 3.09,317 2.137,318 2.426,320 6.052,321 2.032,322 3.191,323 2.145,324 4.948,325 2.709,326 1.721,327 2.414,328 5.128,329 1.689,330 3.015,331 1.622,332 4.651,333 2.536,334 1.569,335 2.246,336 4.622,337 1.514,338 2.763,339 1.451,340 4.179,341 2.281,342 1.305,343 1.838,344 3.476,345 1.269,346 2.612,347 1.329,348 4.109,349 2.218,350 1.246,351 1.639,352 3.41,353 1.206,354 2.317,355 1.198,356 3.838,357 2.072,358 1.084,359 1.299,360 2.796,361 1.066,362 2.179,363 0.704,364 3.364,365 1.633,366 0.695,367 1.026,368 1.686,369 0.65,370 1.932,371 0.514,372 3.268,373 1.434,374 0.468,375 0.672,376 1.298,377 0.451,378 1.348,379 0.343,380 2.953,381 0.994,382 0.041,383 0.05,384 0.108,385 0.039,386 14.233,387 0.474,388 0.849,389 0.028,390 38.25,391 1.275,392 18,393 0.6,394 20.25,395 0.675,396 26.7,397 0.89,398 31.367,399 0.581,400 28.215,401 0.941,402 6.848,403 0.228,404 7.733,405 0.258,406 0.087,408 0.45,412 0.816,413 1.15,414 0.784,415 0.945,416 0.681,417 0.867,418 0.756,419 1.151,420 0.87,421 1.022,422 0.435,423 0.966,424 0.985,425 1.132,426 0.863,427 0.958,428 0.839,429 0.904,430 0.825,431 1.028,432 0.98,433 1.025,434 0.729,435 1.021,436 1.019,437 1.067,438 0.956,439 0.976,440 0.84,441 0.954,442 0.805,443 0.836,444 0.951,445 0.912,446 0.686,447 0.938,448 1.023,449 1.165,450 1.087,451 1.193,452 1.183,453 1.163,454 1.002,455 1.06,456 1.09,457 1.127,458 1.051,459 1.123,460 6,461 0.169,462 3.222,463 2.326,464 1.698,465 1.199,466 0.796,467 0.614,468 0.345,469 0.297,470 12166,471 26979,472 2.225,473 44.4,474 8,475 7,476 1,477 2,478 4,480 2,482 1.735,483 2.093,484 3.297,485 1.598,487 1,488 81.173,489 1.503,490 3.86,491 4.838,492 4.963,493 4.963,494 4.963,495 2.787,496 4.44,497 4.873,498 3.5,499 1522.33,500 8.54,501 20324.9,503 1,505 1,506 310.764,507 1.368,508 4.846,509 0.171,510 0.009,511 0.069,512 0.046,513 0.033,514 0.025,515 0.017,516 0.014,517 0.01,518 0.01,519 0.404,520 0.17,521 0.88,522 0.659,523 151.304,524 -0.022,525 0.046,526 0.057,527 0.076,528 -0.039,529 0.077,530 0.066,531 -0.047,532 0.027,533 -0.016,534 0.2,535 -0.002,536 -0.066,537 -0.094,538 0.079,539 0.038,540 -0.002,541 0.071,542 0.145,543 0.029,544 -0.032,545 -0.051,546 0.108,547 -0.065,548 -0.085,549 -0.069,550 0.02,551 -0.001,552 -0.013,553 0.023,554 0.06,555 0.181,556 0.006,557 0.076,558 0.046,559 0.044,560 -0.103,561 -0.174,562 -0.145,563 -0.175,564 -0.124,565 -0.169,566 -0.096,567 -0.107,568 -0.116,569 -0.126,570 -0.092,571 -0.123,572 2.14,573 5.084,574 0.8,575 30.578,576 0.998,577 1.128,578 2.595,579 6.734,580 0.673,581 3.584,582 3.989,583 4.277,584 4.625,585 4.883,586 5.094,587 5.318,588 5.561,589 5.714,590 5.817,591 6.236,592 0.64,593 400.53,594 3.584,595 5.176,596 6.08,597 7.006,598 7.926,599 8.857,600 9.784,601 10.718,602 11.649,603 12.585,604 11.1,607 1,609 1,610 2,612 2,613 4,614 6,615 2,616 1,618 4,619 1,620 20,622 1,624 1,628 54,629 21,630 1,631 35,632 59,633 23,634 14,635 3,636 3,637 1,638 6,639 9,644 4,645 2,647 5,649 15,650 8,651 2,653 1,654 1,656 1,658 1,660 24,661 5,662 4,663 7,666 6,667 0.667,668 1,671 1,672 1,674 1,675 2,676 2,677 2,678 2,687 4,688 1,691 30,692 1,694 4,695 1,697 3,704 1.9,706 1,709 14.333,710 9.85,711 6.25,712 3.407,713 4.002,714 1.485,715 1.064,716 4.02,717 12.26,718 3.85,719 4.538,720 5.199,721 5.917,722 6.529,723 7.087,724 7.676,725 8.246,726 8.678,727 9.127,728 0.857,729 51,730 11.129,731 5.02,732 7.6,733 21.79,734 19.565,735 2.1,736 63,737 1,738 1,739 235.422,740 100.129,741 102.919,743 25.145,745 100.129,746 260.567,747 102.919,748 8.396,749 43.035,750 37.476,751 104.851,752 51.36,753 18.387,754 200.109,756 235.422,757 203.048,758 25.145,760 211.88,761 48.687,764 79.692,765 71.896,766 51.459,767 235.422,768 128.064,769 100.129,770 235.422,771 36.162,772 65.744,773 34.796,774 91.491,775 235.422,776 128.064,777 100.129,778 0.602,779 0.333,780 0.187,781 0.101,782 31,783 13,784 0.102,785 6,786 2,787 1.167,788 4.186,789 298.53,790 0.167,791 24,792 137.207,793 18.11,794 6.66,795 3.338,796 3.703,797 109.501,798 11.72,799 8.919,800 3.44,802 3.384,803 1.789,804 67.693,805 463.615,806 46,807 12.084,809 -0.473,810 53.891,811 60.936,812 0.261,813 0.671,814 0.841,815 0.862,816 0.862,817 0.862,818 5.136,819 1.721,820 6.098,821 6.052,822 4.673,823 5.226,824 1.176,825 6.991,826 4.631,827 6.393,828 1.569,829 7.71,830 5.128,831 4.511,832 5.255,834 8.087,835 4.47,836 7.742,837 1.305,838 9.42,839 4.622,840 6.375,841 7.548,842 1.063,843 11.185,844 6.302,845 9.123,846 1.246,847 11.186,848 3.476,849 6.957,850 8.397,852 13.065,853 6.884,854 10.536,855 1.084,856 12.987,857 3.41,858 8.369,859 10.225,860 1.022,861 15.728,862 8.269,863 11.971,864 0.695,865 14.812,866 2.796,867 9.275,868 11.468,870 17.941,871 9.168,872 13.426,873 0.468,874 16.655,875 1.686,876 10.525,877 13.124,878 0.993,879 20.463,880 10.396,881 3.362,882 0.041,883 18.512,884 1.298,885 11.577,886 14.555,888 22.823,889 11.435,890 3.103,891 12.181,892 20.38,893 0.108,894 12.77,895 16.154,896 0.967,897 25.305,898 12.608,899 2.918,900 10.402,901 22.258,902 4.923,903 13.89,904 17.67,906 27.73,907 13.711,908 2.661,909 9.416,910 24.144,911 3.993,912 15.068,913 19.254,914 0.942,915 30.205,916 14.869,917 2.414,918 8.85,919 26.037,920 3.681,921 16.221,922 20.809,924 32.662,925 16.003,926 2.388,927 7.6,928 27.936,929 3.308,930 17.398,931 22.391,932 0.917,933 35.14,934 17.16,935 2.137,936 6.928,937 29.84,938 3.072,939 18.568,940 23.965,942 37.614,943 18.31,944 10995,945 16542,946 23.986,947 36.341,948 55.32,949 55.311,950 56.317,951 54.134,952 54.224,953 70.923,954 2.76,955 167.904,956 53.021,957 5.825,958 5.57,959 6.336,960 5.407,961 5.362,962 7.923,963 1.96,964 19.667,965 5.296,966 12.501,967 1.581,968 1.58,969 1.609,970 1.547,971 1.549,972 2.026,973 0.079,974 4.797,975 1.515,976 4.236,977 4.266,978 4.211,979 4.152,980 7.437,981 4.163,982 4.003,983 4.051,984 3.902,985 3.911,986 5.086,987 3.9,988 3.925,989 3.983,990 3.875,991 3.772,992 4.941,993 3.791,994 3.732,995 3.791,996 3.606,997 3.627,998 4.864,999 3.608,1000 3.657,1001 3.698,1002 3.581,1003 3.506,1004 4.612,1005 3.525,1006 3.349,1007 3.407,1008 3.287,1009 3.11,1010 4.389,1011 3.144,1012 3.203,1013 3.287,1014 3.11,1015 2.97,1016 4.157,1017 2.995,1018 3.043,1019 3.134,1020 2.868,1021 2.848,1022 4.11,1023 2.84,1024 0.138,1025 0.102,1026 0.202,1027 0.124,1028 0.096,1029 4.825,1030 0.141,1031 3.57,1032 0.028,1033 7.056,1034 0.348,1035 4.342,1036 0.094,1037 3.362,1038 4.923,1039 0.98,1040 12.181,1041 3.296,1042 1.989,1043 1.973,1044 2.05,1045 2.059,1046 1.253,1047 2.053,1048 1.875,1049 1.844,1050 1.934,1051 2.017,1052 1.187,1053 1.999,1054 1.556,1055 1.505,1056 1.739,1057 1.803,1058 1.038,1059 1.78,1060 1.507,1061 1.441,1062 1.728,1063 1.727,1064 0.825,1065 1.732,1066 1.371,1067 1.307,1068 1.513,1069 1.523,1070 0.825,1071 1.521,1072 1.174,1073 1.126,1074 1.513,1075 1.507,1076 0.79,1077 1.469,1078 1.153,1079 1.064,1080 1.507,1081 1.376,1082 0.627,1083 1.429,1084 1.153,1085 1.064,1086 1.357,1087 1.376,1088 0.604,1089 1.429,1090 4.263,1091 2.565,1092 5.645,1093 4.615,1094 7.216,1095 6.553,1096 8.873,1097 8.458,1098 10.581,1099 1.907,1102 5.663,1104 5.163,1105 3.743,1107 1.958,1112 34.584,1113 81.173,1114 208.441,1115 261.254,1116 268.009,1117 268.009,1118 268.009,1119 43.024,1120 8.258,1121 101.62,1122 101.62,1123 28,1124 13.084,1125 4.459,1126 3.585,1127 37.531,1128 109,1129 125,1130 0.166,1131 205.449,1132 339.73,1133 493.056,1134 42171,1136 20.405,1137 0.68,1138 0.562,1139 20.405,1140 16.852,1141 14.581,1142 0.417,1143 0.302,1144 10.461,1145 14.107,1146 10.243,1147 8.422,1148 14.581,1149 10.581,1150 13.972,1151 0.264,1152 0.165,1153 13.972,1154 8.768,1155 11.321,1156 0.159,1157 0.083,1158 11.321,1159 5.917,1160 10.084,1161 0.1,1162 0.044,1163 10.084,1164 4.446,1165 8.166,1166 0.062,1167 0.023,1168 8.166,1169 3.065,1170 0.254,1171 90.771,1172 0.204,1173 27.83,1174 0.479,1175 176,1176 422.649,1177 188.594,1178 419.445,1179 594.96,1180 394,1181 218,1182 463.281,1183 231.596,1184 472.16,1185 699.34,1186 446,1187 5.77}
{0 CHEMBL1835142,1 1.78,2 10.258,3 3.547,4 12.583,5 111.186,6 8.569,7 0.571,8 4.063,9 4.186,10 3.732,11 3.575,12 5.259,13 3.599,14 4.602,15 4.763,16 4.176,17 3.969,18 6.193,19 3.981,20 4.795,21 4.984,22 4.198,23 4.094,24 6.042,25 4.086,26 4.917,27 5.112,28 4.278,29 4.127,30 6.237,31 4.13,32 4.931,33 5.156,34 4.177,35 4.071,36 6.261,37 4.069,38 4.783,39 4.969,40 4.17,41 4.069,42 6.069,43 4.057,44 4.87,45 5.075,46 4.163,47 4.022,48 6.219,49 4.014,50 4.788,51 5.014,52 3.96,53 3.874,54 6.086,55 3.856,56 0.211,57 1.034,58 7.914,59 4.25,60 31.453,61 4.784,62 0.933,63 1.933,64 17.257,65 7.241,66 161.667,67 8.563,68 0.766,69 1.847,70 22.563,71 8.728,72 93.382,73 10.778,74 0.917,75 2.136,76 26.374,77 10.072,78 120.743,79 11.6,80 1.208,81 2.006,82 30.65,83 9.412,84 159.977,85 11.06,86 0.611,87 1.894,88 21.194,89 9.12,90 55.017,91 10.842,92 0.907,93 2.023,94 26.477,95 9.888,96 110.797,97 11.726,98 0.839,99 1.752,100 26.398,101 9.204,102 116.943,103 10.838,104 41,105 54,106 0.295,107 0.69,108 0.843,109 0.866,110 0.866,111 0.866,112 3.473,113 0.839,114 -3.72,115 -3.68,116 -3.5,117 42,119 2,120 1,122 1,124 1,127 1,129 3,130 5,132 2,134 1,137 1,138 2,140 1,144 1,145 1,146 1,147 1,149 9,151 5,152 1,153 2,154 7,155 8,156 1,158 3,162 5,163 6,165 1,166 7,167 1,168 3,169 2,170 5,171 1,172 5,173 1,175 7,177 3,178 6,179 1,181 5,182 3,183 1,184 4,185 1,186 5,187 2,189 5,191 5,192 6,193 2,195 4,198 2,200 5,201 2,202 2,203 2,205 2,207 2,208 3,209 2,210 1630,211 20.367,212 20.367,213 20.367,214 20.367,215 20.367,216 17.992,217 16.069,218 11.4,219 20.829,220 17.287,221 17.287,222 17.287,223 17.287,224 17.287,225 13.57,226 20.546,227 5.415,228 18.148,229 3.864,230 1.486,231 0.565,232 0.43,233 0.43,234 0.43,235 4.165,238 1,239 698,240 4.243,241 51.753,242 123.209,243 137.833,244 195.236,246 1.75,247 52.647,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 70.5,258 318,259 4.826,260 4.346,261 7.262,262 4.356,263 3.42,264 4.923,265 3.02,266 12.373,267 3.295,268 4.396,269 3.569,270 7.047,271 4.249,272 3.326,273 3.993,274 0.98,275 12.081,276 3.033,277 4.302,278 3.257,279 6.269,280 3.907,281 2.919,282 3.681,283 0.4,284 9.416,285 2.885,286 4.068,287 2.921,288 6.133,289 3.659,290 2.661,291 3.426,293 8.856,294 2.651,295 3.79,296 2.788,297 5.746,298 3.461,299 2.542,300 3.231,302 7.789,303 2.3,304 3.543,305 2.502,306 5.657,307 3.347,308 2.389,309 2.888,311 7.498,312 2.247,313 3.503,314 2.251,315 5.059,316 3.089,317 2.137,318 2.534,320 6.053,321 2.026,322 3.191,323 2.146,324 4.95,325 2.707,326 1.72,327 2.426,328 5.132,329 1.684,330 3.015,331 1.638,332 4.653,333 2.524,334 1.561,335 2.247,336 4.622,337 1.496,338 2.762,339 1.454,340 4.182,341 2.273,342 1.288,343 1.838,344 3.432,345 1.264,346 2.61,347 1.345,348 4.109,349 2.132,350 1.188,351 1.636,352 3.259,353 1.115,354 2.221,355 1.198,356 3.838,357 1.988,358 1.035,359 1.183,360 2.779,361 0.969,362 2.167,363 0.703,364 3.366,365 1.632,366 0.693,367 1.022,368 1.684,369 0.649,370 1.916,371 0.512,372 3.268,373 1.42,374 0.456,375 0.654,376 1.267,377 0.438,378 1.31,379 0.51,380 2.962,381 0.954,386 14.09,387 0.455,388 1.125,389 0.036,390 39,391 1.258,392 18,393 0.581,394 21,395 0.677,396 27.252,397 0.879,398 33.91,399 0.678,400 33.88,401 1.093,402 7.594,403 0.245,404 7.125,405 0.23,406 0.148,407 0.035,408 0.419,410 3,412 0.619,413 0.987,414 0.645,415 0.958,416 0.597,417 0.842,418 0.465,419 0.817,420 0.675,421 0.927,422 0.355,423 0.887,424 0.754,425 0.893,426 0.86,427 0.973,428 0.757,429 0.962,430 1.008,431 1.131,432 0.983,433 1.09,434 1.017,435 1.047,436 1.24,437 0.937,438 1.114,439 0.811,440 1.195,441 0.87,442 0.741,443 1.028,444 0.892,445 1.149,446 0.684,447 1.098,448 1.012,449 1.14,450 0.973,451 1.175,452 1.089,453 1.103,454 1.184,455 1.195,456 1.063,457 1.135,458 1.18,459 1.077,460 8,461 0.222,462 4.056,463 2.951,464 2.358,465 1.476,466 1.063,467 0.92,468 0.483,469 0.308,470 12105,471 40042,472 2.092,473 38,474 4,475 7,476 1,477 2,478 4,480 1,482 1.743,483 1.908,484 3.289,485 1.664,487 1,488 88.979,489 1.78,490 4.158,491 5.079,492 5.214,493 5.214,494 5.214,495 2.777,496 4.583,497 4.922,498 3.514,499 1633.87,500 8.638,501 22303.2,503 1,505 1,506 282.193,507 1.678,508 4.857,509 0.229,510 0.012,511 0.08,512 0.056,513 0.043,514 0.03,515 0.021,516 0.02,517 0.013,518 0.009,519 0.511,520 0.17,521 0.88,522 0.873,523 157.878,524 -0.059,525 -0.018,526 0.016,527 0.057,528 -0.09,529 0.069,530 0.336,531 0.213,532 0.131,533 0.08,534 0.405,535 0.046,536 -0.004,537 0.023,538 -0.006,539 0.018,540 -0.044,541 0.007,542 -0.071,543 -0.111,544 -0.07,545 -0.104,546 -0.103,547 -0.096,548 -0.169,549 0.114,550 -0.116,551 0.154,552 -0.144,553 0.082,554 -0.012,555 -0.107,556 -0.046,557 -0.153,558 0.004,559 -0.125,560 -0.022,561 -0.145,562 -0.009,563 -0.166,564 -0.064,565 -0.112,566 -0.15,567 -0.206,568 -0.043,569 -0.129,570 -0.111,571 -0.064,572 5.656,573 5.606,574 0.677,575 31.438,576 1.031,577 1.151,578 2.488,579 6.191,580 0.668,581 3.584,582 4.007,583 4.277,584 4.615,585 4.868,586 5.063,587 5.313,588 5.553,589 5.7,590 5.771,591 6.322,592 0.664,593 428.46,594 3.584,595 5.187,596 6.075,597 7.008,598 7.918,599 8.852,600 9.772,601 10.708,602 11.633,603 12.571,604 12,607 1,609 1,610 2,612 2,613 4,614 6,615 2,616 1,618 4,619 1,620 20,622 1,624 1,628 50,629 21,630 1,631 35,632 54,633 21,634 14,635 3,636 3,637 1,638 5,639 8,642 1,644 2,645 1,646 1,647 3,649 15,650 6,651 1,653 1,654 1,656 1,658 1,659 3,660 19,661 8,662 4,663 10,666 6,667 0.6,668 1,671 1,672 1,674 1,675 1,676 2,677 2,678 2,687 3,688 1,690 3,691 31,692 1,694 2,695 1,697 2,699 1,703 3,704 2,706 1,709 16.25,710 9.195,711 6.389,712 2.903,713 4.006,714 1.488,715 1.046,716 4.577,717 12.217,718 3.85,719 4.549,720 5.199,721 5.914,722 6.528,723 7.084,724 7.678,725 8.247,726 8.68,727 9.12,728 0.857,729 53,730 11.994,731 5.912,732 8.207,733 21.246,734 18.458,735 2.707,736 83.917,738 1,739 176.567,740 102.819,741 102.919,743 25.145,744 44.88,745 102.819,746 201.711,747 147.799,748 8.396,749 37.966,750 37.476,751 104.851,752 96.24,753 18.387,754 141.253,755 7.76,756 176.567,757 205.738,758 70.025,760 164.795,761 81.796,764 82.383,765 71.896,766 51.459,767 221.447,768 128.064,769 102.819,770 184.326,771 31.093,772 65.744,773 34.796,774 136.371,775 176.567,776 172.944,777 102.819,778 0.61,779 0.337,780 0.184,781 0.101,782 30,783 14,784 0.093,785 5,786 2,787 1.19,788 4.067,789 306.702,790 0.19,791 21,792 146.825,793 20.044,794 7.079,795 3.687,796 2.085,797 154.382,798 10.31,799 8.317,800 3.153,802 1.964,803 1.678,804 67.693,805 452.33,806 46,807 11.945,809 -0.711,810 51.545,811 57.54,812 0.315,813 0.737,814 0.9,815 0.924,816 0.924,817 0.924,818 5.147,819 1.72,820 6.133,821 6.053,822 4.691,823 5.236,824 2.829,825 7.052,826 4.603,827 6.422,828 1.561,829 7.769,830 5.132,831 4.635,832 5.316,833 3.075,834 8.287,835 4.458,836 7.785,837 1.288,838 9.508,839 4.622,840 6.444,841 7.57,842 4.569,843 11.354,844 6.265,845 9.181,846 1.188,847 11.308,848 3.432,849 7.124,850 8.439,851 5.466,852 13.356,853 6.858,854 10.605,855 1.035,856 13.146,857 3.259,858 8.513,859 10.249,860 6.666,861 16.025,862 8.231,863 12.052,864 0.693,865 15.01,866 2.779,867 9.493,868 11.495,869 7.721,870 18.327,871 9.136,872 13.515,873 0.456,874 16.894,875 1.684,876 10.747,877 13.143,878 8.85,879 20.876,880 10.357,881 3.42,883 18.793,884 1.267,885 11.855,886 14.571,887 9.943,888 23.298,889 11.4,890 3.326,891 12.373,892 20.704,894 13.067,895 16.165,896 11.055,897 25.811,898 12.57,899 2.919,900 12.081,901 22.625,902 4.923,903 14.23,904 17.68,905 12.157,906 28.281,907 13.675,908 2.661,909 9.416,910 24.554,911 3.993,912 15.433,913 19.26,914 13.264,915 30.786,916 14.831,917 2.542,918 8.856,919 26.489,920 3.681,921 16.621,922 20.814,923 14.368,924 33.275,925 15.966,926 2.389,927 7.789,928 28.431,929 3.426,930 17.826,931 22.395,932 15.474,933 35.778,934 17.122,935 2.137,936 7.498,937 30.377,938 3.231,939 19.026,940 23.968,941 16.579,942 38.276,943 18.273,944 11420,945 20928,946 22.887,947 33.392,948 55.819,949 55.655,950 56.681,951 54.852,952 54.674,953 71.366,954 8.8,955 172.483,956 52.105,957 5.781,958 6.346,959 6.543,960 5.417,961 5.42,962 7.923,963 4.53,964 19.944,965 5.295,966 17.89,967 1.595,968 1.59,969 1.619,970 1.567,971 1.562,972 2.039,973 0.251,974 4.928,975 1.489,976 4.233,977 4.263,978 4.21,979 4.149,980 8.513,981 4.161,982 3.945,983 3.997,984 3.89,985 3.825,986 7.999,987 3.822,988 3.917,989 3.973,990 3.839,991 3.77,992 7.999,993 3.785,994 3.658,995 3.7,996 3.606,997 3.507,998 7.437,999 3.526,1000 3.453,1001 3.513,1002 3.409,1003 3.175,1004 5.085,1005 3.217,1006 3.31,1007 3.365,1008 3.265,1009 3.055,1010 4.941,1011 3.09,1012 3.172,1013 3.253,1014 3.097,1015 2.909,1016 4.864,1017 2.947,1018 3.042,1019 3.132,1020 2.868,1021 2.844,1022 4.604,1023 2.838,1024 0.138,1025 0.124,1026 0.207,1027 0.124,1028 0.098,1029 4.826,1030 0.141,1031 4.346,1032 0.086,1033 7.262,1034 0.354,1035 4.356,1036 0.094,1037 3.42,1038 4.923,1039 3.02,1040 12.373,1041 3.295,1042 1.989,1043 1.973,1044 2.049,1045 2.061,1046 1.235,1047 2.054,1048 1.875,1049 1.844,1050 1.932,1051 2.018,1052 1.115,1053 2,1054 1.549,1055 1.502,1056 1.728,1057 1.804,1058 1.021,1059 1.78,1060 1.506,1061 1.441,1062 1.692,1063 1.785,1064 0.825,1065 1.748,1066 1.371,1067 1.307,1068 1.513,1069 1.533,1070 0.79,1071 1.521,1072 1.173,1073 1.125,1074 1.506,1075 1.508,1076 0.604,1077 1.47,1078 1.153,1079 1.064,1080 1.356,1081 1.376,1082 0.354,1083 1.429,1084 1.043,1085 0.974,1086 1.253,1087 1.3,1088 0.285,1089 1.287,1090 4.263,1091 1.946,1092 5.659,1093 4.111,1094 7.233,1095 6.138,1096 8.892,1097 8.107,1098 10.598,1099 1.81,1101 40.819,1102 5.494,1104 1.032,1105 2.596,1107 -2.169,1109 -4.406,1112 33.208,1113 88.979,1114 207.889,1115 253.928,1116 260.683,1117 260.683,1118 260.683,1119 69.097,1120 8.211,1121 101.62,1122 101.62,1123 25,1124 13.07,1125 4.459,1126 3.585,1127 43.336,1128 114,1129 133,1130 0.185,1131 197.253,1132 335.7,1133 473.056,1134 39579,1135 6,1136 21.913,1137 0.707,1138 0.532,1139 19.413,1140 16.494,1141 14.719,1142 0.421,1143 0.28,1144 9.591,1145 13.952,1146 9.45,1147 7.729,1148 13.508,1149 9.786,1150 14.943,1151 0.277,1152 0.147,1153 12.948,1154 7.924,1155 11.44,1156 0.161,1157 0.076,1158 10.681,1159 5.381,1160 10.09,1161 0.101,1162 0.039,1163 9.347,1164 3.897,1165 8.171,1166 0.063,1167 0.02,1168 7.355,1169 2.584,1170 0.282,1171 93.854,1172 0.209,1173 28.496,1174 0.533,1175 178,1176 682.982,1177 207.611,1178 583.072,1179 774.82,1180 540,1181 217,1182 562.281,1183 241.529,1184 550.038,1185 828.95,1186 517,1187 5.469}
{0 CHEMBL1835146,1 1.521,2 9.448,3 3.154,4 9.949,5 112.781,6 7.578,7 0.588,8 4.07,9 4.202,10 3.666,11 3.641,12 5.142,13 3.627,14 4.575,15 4.744,16 3.979,17 4.026,18 5.62,19 3.976,20 4.797,21 5.01,22 4.069,23 4.131,24 5.767,25 4.072,26 4.889,27 5.1,28 4.142,29 4.202,30 5.948,31 4.138,32 4.962,33 5.203,34 4.052,35 4.19,36 5.909,37 4.105,38 4.88,39 5.122,40 4.009,41 4.152,42 5.846,43 4.065,44 4.814,45 5.019,46 3.939,47 4.122,48 5.792,49 4.031,50 4.815,51 5.058,52 3.761,53 4.023,54 5.719,55 3.9,56 0.073,57 0.839,58 10.35,59 4.319,60 11.014,61 5.743,62 0.142,63 1.304,64 18.532,65 7.578,66 26.854,67 10.416,68 0.166,69 1.531,70 25.427,71 9.389,72 29.848,73 13.261,74 0.399,75 1.705,76 27.775,77 9.84,78 47.626,79 13.905,80 0.267,81 1.742,82 31.431,83 10.639,84 36.541,85 15.408,86 0.377,87 1.612,88 28.988,89 10.197,90 43.226,91 14.625,92 0.189,93 1.511,94 25.621,95 9.816,96 36.423,97 13.511,98 0.207,99 1.435,100 27.316,101 10.066,102 36.216,103 14.294,104 6,105 51,106 0.251,107 0.642,108 0.79,109 0.812,110 0.812,111 0.812,112 3.409,113 0.899,114 -3.61,115 -3.58,116 -3.41,117 43.1,119 4,120 2,124 1,129 3,130 5,132 2,134 1,137 1,138 2,140 1,144 1,145 1,146 1,148 1,149 12,151 4,152 1,153 2,154 9,155 9,156 1,158 2,162 8,163 10,165 1,166 6,167 1,168 3,169 2,170 7,171 1,172 10,173 1,175 8,177 4,178 9,179 1,181 4,182 2,183 2,184 6,185 1,186 9,187 2,189 4,191 8,192 12,193 2,195 4,198 4,200 10,201 3,202 1,203 4,205 2,206 1,207 4,208 6,209 4,210 1363,211 20.102,212 20.102,213 20.102,214 20.102,215 20.102,216 17.752,217 12.311,218 11.484,219 20.292,220 16.813,221 16.813,222 16.813,223 16.813,224 16.813,225 13.168,226 19.851,227 5.444,228 17.141,229 4.151,230 1.778,231 0.878,232 0.745,233 0.745,234 0.745,235 4.114,238 1,239 631,240 3.464,241 92.305,242 111.692,243 124.495,244 176.221,246 1.636,247 24.186,249 1,250 0.83,251 1,252 0.8,253 0.5,254 1,255 1,256 0.88,257 62,258 274,259 4.825,260 3.57,261 7.056,262 4.342,263 3.362,264 4.923,265 0.98,266 12.181,267 3.296,268 4.272,269 3.286,270 6.562,271 4.09,272 3.102,273 3.95,274 0.4,275 10.402,276 3.065,277 4.119,278 3.136,279 6.26,280 3.874,281 2.88,282 3.595,284 9.35,285 2.863,286 4.026,287 2.844,288 6.111,289 3.635,290 2.634,291 3.282,293 8.791,294 2.633,295 3.73,296 2.436,297 5.701,298 3.414,299 2.414,300 3.046,302 7.551,303 2.414,304 3.414,305 2.414,306 5.414,307 3.299,308 2.343,309 2.665,311 6.928,312 2.238,313 3.313,314 2.191,315 4.964,316 2.819,317 1.85,318 2.414,320 5.243,321 1.784,322 3.137,323 1.797,324 4.681,325 2.636,326 1.646,327 2.367,328 4.697,329 1.62,330 3,331 1.594,332 4.423,333 2.521,334 1.553,335 2.225,336 4.31,337 1.499,338 2.699,339 1.382,340 4.174,341 2.24,342 1.284,343 1.732,344 3.455,345 1.223,346 2.381,347 1.307,348 3.839,349 2.134,350 1.14,351 1.35,352 2.829,353 1.128,354 2.286,355 0.875,356 3.381,357 1.849,358 0.863,359 1.228,360 2.07,361 0.849,362 2.118,363 0.618,364 3.274,365 1.547,366 0.618,367 0.927,368 1.372,369 0.572,370 1.927,371 0.506,372 3,373 1.427,374 0.46,375 0.662,376 1.27,377 0.443,378 1.347,379 0.342,380 2.953,381 0.993,382 0.04,383 0.049,384 0.107,385 0.038,386 13.733,387 0.474,388 0.743,389 0.026,390 37.5,391 1.293,392 18,393 0.621,394 19.5,395 0.672,396 25.066,397 0.864,398 30.067,399 0.59,400 26.776,401 0.923,402 6.731,403 0.232,404 7.456,405 0.257,406 0.053,408 0.437,412 0.843,413 1.055,414 0.776,415 0.872,416 0.67,417 0.815,418 0.681,419 1.183,420 0.892,421 1.1,422 0.455,423 1.035,424 0.902,425 1.137,426 0.816,427 0.965,428 0.783,429 0.894,430 0.837,431 1.007,432 0.967,433 0.998,434 0.722,435 0.997,436 1.02,437 1.084,438 0.985,439 1.006,440 0.845,441 0.986,442 0.798,443 0.786,444 0.914,445 0.856,446 0.661,447 0.886,448 1.081,449 1.157,450 1.128,451 1.203,452 1.23,453 1.184,454 0.944,455 1.087,456 1.082,457 1.17,458 1.041,459 1.154,460 5,461 0.112,462 3,463 2.007,464 1.538,465 1.119,466 0.735,467 0.586,468 0.301,469 0.232,470 11143,471 25502,472 2.255,473 43.1,474 8,475 4,476 1,477 2,478 5,480 2,482 1.727,483 2.148,484 3.219,485 2.425,486 1,487 1,488 77.569,489 1.521,490 3.894,491 4.795,492 4.927,493 4.927,494 4.927,495 2.695,496 4.073,497 4.825,498 3.427,499 1391.33,500 8.446,501 18125.3,503 1,505 1,506 289.294,507 1.285,508 4.807,509 0.147,510 0.008,511 0.067,512 0.041,513 0.03,514 0.024,515 0.016,516 0.014,517 0.009,518 0.008,519 0.365,520 0.17,521 0.88,522 0.601,523 144.251,524 -0.058,525 0.132,526 0.043,527 0.13,528 -0.029,529 0.108,530 0.077,531 -0.093,532 -0.025,533 -0.088,534 0.176,535 -0.074,536 -0.029,537 -0.128,538 0.124,539 0.037,540 0.025,541 0.09,542 0.138,543 0.048,544 -0.026,545 -0.032,546 0.112,547 -0.051,548 -0.096,549 -0.093,550 -0.009,551 -0.033,552 -0.028,553 -0.009,554 0.069,555 0.211,556 0.055,557 0.127,558 0.066,559 0.099,560 -0.141,561 -0.16,562 -0.197,563 -0.192,564 -0.149,565 -0.202,566 -0.069,567 -0.153,568 -0.108,569 -0.159,570 -0.083,571 -0.142,572 2.142,573 5.045,574 0.828,575 28.483,576 1,577 1.128,578 2.38,579 5.665,580 0.678,581 3.555,582 3.951,583 4.248,584 4.595,585 4.844,586 5.069,587 5.293,588 5.529,589 5.666,590 5.749,591 6.004,592 0.648,593 386.5,594 3.555,595 5.142,596 6.047,597 6.971,598 7.892,599 8.822,600 9.751,601 10.684,602 11.616,603 12.552,604 11.8,607 1,609 1,610 2,612 2,613 4,614 6,615 2,616 2,618 4,620 20,622 1,624 1,628 51,629 21,630 1,631 34,632 56,633 22,634 14,635 3,636 3,637 1,638 6,639 9,644 4,645 2,647 5,649 15,650 7,651 2,653 1,654 1,656 1,658 1,660 22,661 5,662 5,663 7,666 6,667 0.667,668 1,671 1,672 1,674 1,675 2,676 2,677 2,678 2,687 4,691 29,692 1,694 4,695 1,697 3,704 2,706 1,709 13.5,710 8.9,711 6.083,712 3.233,713 3.957,714 1.485,715 1.08,716 3.8,717 12.108,718 3.829,719 4.505,720 5.174,721 5.892,722 6.499,723 7.069,724 7.659,725 8.222,726 8.637,727 9.067,728 1,729 49,730 10.75,731 4.877,732 7.621,733 21.008,734 18.969,735 2.121,736 61.5,738 1,739 200.109,740 91.733,741 117.805,743 25.145,745 91.733,746 225.254,747 117.805,749 43.035,750 37.476,751 104.851,752 66.246,753 18.387,754 164.795,756 200.109,757 209.538,758 25.145,760 176.567,761 48.687,764 94.579,765 63.5,766 51.459,767 200.109,768 142.95,769 91.733,770 200.109,771 36.162,772 55.571,773 51.459,774 91.491,775 200.109,776 142.95,777 91.733,778 0.598,779 0.333,780 0.189,781 0.098,782 30,783 12,784 0.107,785 6,786 2,787 1.167,788 4.131,789 285.787,790 0.167,791 24,792 130.881,793 17.194,794 6.41,795 3.128,796 3.684,797 109.501,798 11.48,799 8.67,800 6.271,802 3.325,804 84.356,805 434.791,806 45,807 12.045,809 -0.475,810 51.007,811 57.521,812 0.268,813 0.687,814 0.845,815 0.869,816 0.869,817 0.869,818 5.106,819 1.646,820 6.057,821 5.243,822 4.635,823 5.193,824 1.176,825 6.95,826 4.598,827 6.355,828 1.553,829 7.667,830 4.697,831 4.443,832 5.182,834 8.054,835 4.413,836 7.7,837 1.284,838 9.378,839 4.31,840 6.333,841 7.509,842 1.063,843 11.156,844 6.268,845 9.079,846 1.14,847 11.148,848 3.455,849 6.909,850 8.347,852 13.047,853 6.847,854 10.491,855 0.863,856 12.953,857 2.829,858 8.33,859 10.187,860 1.022,861 15.711,862 8.24,863 11.926,864 0.618,865 14.782,866 2.07,867 9.236,868 11.43,870 17.929,871 9.14,872 13.382,873 0.46,874 16.629,875 1.372,876 10.49,877 13.092,878 0.993,879 20.453,880 10.371,881 3.362,882 0.04,883 18.49,884 1.27,885 11.545,886 14.527,888 22.815,889 11.412,890 3.102,891 12.181,892 20.362,893 0.107,894 12.741,895 16.129,896 0.967,897 25.297,898 12.588,899 2.88,900 10.402,901 22.242,902 4.923,903 13.863,904 17.65,906 27.725,907 13.692,908 2.634,909 9.35,910 24.13,911 3.95,912 15.043,913 19.236,914 0.942,915 30.2,916 14.852,917 2.414,918 8.791,919 26.025,920 3.595,921 16.197,922 20.794,924 32.658,925 15.986,926 2.343,927 7.551,928 27.925,929 3.282,930 17.376,931 22.379,932 0.917,933 35.137,934 17.145,935 1.85,936 6.928,937 29.831,938 3.046,939 18.548,940 23.955,942 37.611,943 18.295,944 10003,945 15300,946 23.581,947 34.58,948 53.48,949 53.424,950 53.681,951 52.258,952 52.378,953 68.831,954 2.76,955 161.114,956 51.331,957 5.825,958 5.57,959 6.653,960 5.407,961 5.362,962 7.923,963 1.96,964 19.667,965 5.296,966 9.779,967 1.573,968 1.571,969 1.579,970 1.537,971 1.541,972 2.024,973 0.081,974 4.739,975 1.51,976 4.235,977 4.265,978 4.21,979 4.151,980 7.437,981 4.162,982 4.003,983 4.051,984 3.897,985 3.911,986 5.099,987 3.9,988 3.897,989 3.954,990 3.85,991 3.756,992 4.995,993 3.772,994 3.732,995 3.791,996 3.589,997 3.627,998 4.866,999 3.608,1000 3.639,1001 3.683,1002 3.581,1003 3.481,1004 4.614,1005 3.501,1006 3.342,1007 3.402,1008 3.282,1009 3.094,1010 4.39,1011 3.132,1012 3.18,1013 3.262,1014 3.092,1015 2.951,1016 4.156,1017 2.975,1018 2.923,1019 3.022,1020 2.802,1021 2.732,1022 4.11,1023 2.738,1024 0.142,1025 0.105,1026 0.208,1027 0.128,1028 0.099,1029 4.825,1030 0.145,1031 3.57,1032 0.029,1033 7.056,1034 0.358,1035 4.342,1036 0.097,1037 3.362,1038 4.923,1039 0.98,1040 12.181,1041 3.296,1042 1.989,1043 1.972,1044 2.049,1045 2.058,1046 1.252,1047 2.053,1048 1.875,1049 1.844,1050 1.934,1051 2.016,1052 1.187,1053 1.999,1054 1.556,1055 1.504,1056 1.738,1057 1.729,1058 1.036,1059 1.733,1060 1.434,1061 1.399,1062 1.56,1063 1.671,1064 0.825,1065 1.627,1066 1.241,1067 1.142,1068 1.513,1069 1.522,1070 0.825,1071 1.511,1072 1.174,1073 1.119,1074 1.513,1075 1.507,1076 0.674,1077 1.469,1078 1.153,1079 1.064,1080 1.408,1081 1.376,1082 0.627,1083 1.429,1084 1.153,1085 1.064,1086 1.356,1087 1.376,1088 0.296,1089 1.429,1090 4.234,1091 2.565,1092 5.609,1093 4.615,1094 7.179,1095 6.532,1096 8.838,1097 8.423,1098 10.548,1102 5.645,1104 5.161,1105 3.734,1107 1.96,1112 33.058,1113 77.569,1114 198.611,1115 244.539,1116 251.294,1117 251.294,1118 251.294,1119 41.026,1120 8.151,1121 112.48,1122 112.48,1123 28,1124 13.051,1125 4.459,1126 3.585,1127 35.76,1128 101,1129 104,1130 0.17,1131 195.857,1132 322.43,1133 469.651,1134 36863,1136 19.535,1137 0.674,1138 0.548,1139 19.535,1140 15.905,1141 14.187,1142 0.417,1143 0.3,1144 10.08,1145 13.747,1146 9.928,1147 8.136,1148 14.187,1149 10.187,1150 13.338,1151 0.262,1152 0.164,1153 13.338,1154 8.352,1155 10.986,1156 0.159,1157 0.083,1158 10.986,1159 5.71,1160 9.834,1161 0.1,1162 0.044,1163 9.834,1164 4.285,1165 7.761,1166 0.062,1167 0.023,1168 7.761,1169 2.912,1170 0.259,1171 88.257,1172 0.206,1173 27.007,1174 0.495,1175 170,1176 411.337,1177 181.9,1178 408.705,1179 579.02,1180 384,1181 211,1182 448.989,1183 223.569,1184 456.867,1185 677.97,1186 433,1187 6.004}
{0 CHEMBL1835148,1 1.538,2 10.903,3 2.63,4 6.917,5 119.421,6 7.658,7 0.583,8 4.124,9 4.257,10 3.722,11 3.685,12 5.229,13 3.676,14 4.619,15 4.79,16 4.046,17 4.06,18 5.71,19 4.017,20 4.856,21 5.067,22 4.17,23 4.181,24 5.902,25 4.137,26 4.945,27 5.16,28 4.183,29 4.243,30 6.017,31 4.181,32 4.989,33 5.227,34 4.106,35 4.235,36 5.953,37 4.152,38 4.918,39 5.152,40 4.087,41 4.211,42 5.916,43 4.131,44 4.88,45 5.082,46 4.03,47 4.192,48 5.896,49 4.108,50 4.91,51 5.159,52 3.877,53 4.1,54 5.852,55 3.982,56 0.064,57 0.896,58 10.738,59 4.388,60 12.843,61 5.854,62 0.172,63 1.382,64 19.155,65 7.787,66 30.746,67 10.709,68 0.261,69 1.664,70 26.711,71 9.393,72 40.352,73 13.301,74 0.459,75 1.802,76 29.33,77 10.038,78 52.633,79 14.242,80 0.309,81 1.792,82 32.002,83 11.099,84 38.857,85 15.973,86 0.355,87 1.691,88 29.502,89 10.547,90 43.826,91 15.084,92 0.214,93 1.636,94 26.909,95 10.28,96 41.532,97 14.151,98 0.325,99 1.584,100 30.259,101 10.915,102 46.419,103 15.57,104 11,105 54,106 0.25,107 0.626,108 0.77,109 0.817,110 0.817,111 0.817,112 3.473,113 0.889,114 -3.54,115 -3.51,116 -3.35,117 42.6,119 4,120 2,124 1,129 3,130 4,132 3,133 1,134 2,138 2,140 1,144 2,145 2,146 2,149 11,151 4,152 2,153 3,154 8,155 7,156 1,157 1,158 4,159 1,160 1,162 7,163 9,165 1,166 7,167 1,168 3,169 2,170 4,171 1,172 9,173 1,175 9,176 1,177 4,178 8,179 2,181 5,182 2,183 1,184 7,185 1,186 8,187 4,189 4,191 7,192 12,193 3,194 1,195 3,196 1,197 1,198 3,199 1,200 10,201 3,202 2,203 4,204 1,205 2,207 5,208 4,209 5,210 1628,211 21.256,212 21.256,213 21.256,214 21.256,215 21.256,216 18.752,217 15.473,218 12.07,219 21.532,220 17.779,221 17.779,222 17.779,223 17.779,224 17.779,225 13.907,226 22.351,227 5.731,228 18.256,229 4.217,230 1.914,231 1.028,232 0.741,233 0.741,234 0.741,235 4.177,238 1,239 772,240 3.536,241 99.975,242 47.686,243 226.385,244 194.25,246 1.796,247 29.389,249 0.75,250 0.67,251 0.83,252 0.7,253 0.5,254 0.83,255 1,256 0.75,257 66.5,258 338,259 4.825,260 3.57,261 7.056,262 4.342,263 3.362,264 4.923,265 0.98,266 12.181,267 3.295,268 4.278,269 3.286,270 6.562,271 4.09,272 3.102,273 3.959,274 0.4,275 10.402,276 3.064,277 4.119,278 3.137,279 6.26,280 3.869,281 2.887,282 3.641,284 9.354,285 2.838,286 4.046,287 2.86,288 6.112,289 3.639,290 2.645,291 3.31,293 8.797,294 2.622,295 3.777,296 2.5,297 5.702,298 3.414,299 2.414,300 3.099,302 7.56,303 2.414,304 3.597,305 2.414,306 5.414,307 3.34,308 2.388,309 2.968,311 6.928,312 2.268,313 3.414,314 2.314,315 5.045,316 3.171,317 2.226,318 2.468,320 6.08,321 2.101,322 3.214,323 2.177,324 4.957,325 2.729,326 1.747,327 2.414,328 5.182,329 1.704,330 3.028,331 1.64,332 4.664,333 2.543,334 1.575,335 2.263,336 4.647,337 1.52,338 2.874,339 1.506,340 4.281,341 2.372,342 1.394,343 2.023,344 3.867,345 1.358,346 2.66,347 1.341,348 4.172,349 2.231,350 1.275,351 1.688,352 3.453,353 1.216,354 2.5,355 1.254,356 3.838,357 2.095,358 1.104,359 1.5,360 2.809,361 1.088,362 2.318,363 1,364 3.414,365 1.916,366 1,367 1.301,368 2.275,369 0.915,370 1.946,371 0.542,372 3.365,373 1.457,374 0.492,375 0.699,376 1.343,377 0.473,378 1.36,379 0.346,380 2.953,381 0.996,382 0.044,383 0.054,384 0.116,385 0.042,386 14.633,387 0.472,388 0.849,389 0.027,390 41.75,391 1.347,392 20.5,393 0.661,394 21.25,395 0.685,396 26.404,397 0.852,398 32.167,399 0.596,400 31.054,401 1.002,402 7.494,403 0.242,404 7.586,405 0.245,406 0.077,408 0.444,412 0.935,413 1.152,414 0.78,415 0.887,416 0.789,417 0.813,418 0.643,419 1.198,420 0.849,421 1.106,422 0.436,423 1.023,424 0.949,425 1.112,426 0.822,427 0.936,428 0.782,429 0.873,430 0.915,431 0.976,432 1.008,433 0.979,434 0.748,435 0.998,436 0.933,437 1.028,438 0.952,439 1,440 0.785,441 0.978,442 0.785,443 0.873,444 0.902,445 0.908,446 0.633,447 0.914,448 1.068,449 1.195,450 1.133,451 1.236,452 1.19,453 1.208,454 0.857,455 0.993,456 1.043,457 1.128,458 0.95,459 1.121,460 6,461 0.179,462 3.444,463 2.229,464 1.67,465 1.299,466 0.835,467 0.68,468 0.369,469 0.297,470 13390,471 31883,472 2.217,473 42.6,474 8,475 4,477 3,478 6,480 2,482 1.742,483 2.09,484 3.375,485 3.211,487 1,488 83.029,489 1.538,490 3.841,491 4.727,492 5.014,493 5.014,494 5.014,495 2.922,496 4.309,497 4.92,498 3.576,499 1662.98,500 8.629,501 22806.1,503 1,506 310.764,507 1.359,508 4.895,509 0.167,510 0.009,511 0.072,512 0.041,513 0.032,514 0.027,515 0.017,516 0.015,517 0.01,518 0.009,519 0.398,520 0.17,521 0.88,522 0.646,523 158.561,524 -0.149,525 0.04,526 0.03,527 0.119,528 -0.09,529 0.108,530 0.126,531 -0.103,532 0.016,533 -0.091,534 0.206,535 -0.062,536 -0.007,537 -0.074,538 0.118,539 0.049,540 0.042,541 0.091,542 0.072,543 0.08,544 -0.064,545 -0.016,546 0.061,547 -0.053,548 -0.051,549 -0.047,550 0.018,551 -0.007,552 -0.014,553 0.014,554 0.044,555 0.122,556 0.053,557 0.093,558 0.069,559 0.081,560 -0.145,561 -0.189,562 -0.21,563 -0.219,564 -0.156,565 -0.225,566 0.03,567 -0.059,568 -0.057,569 -0.119,570 -0.036,571 -0.106,572 2.166,573 5.094,574 0.806,575 33.147,576 1.002,577 1.13,578 2.309,579 5.33,580 0.678,581 3.611,582 4.007,583 4.29,584 4.625,585 4.92,586 5.118,587 5.333,588 5.568,589 5.72,590 5.835,591 6.506,592 0.65,593 413.53,594 3.611,595 5.198,596 6.098,597 7.018,598 7.936,599 8.862,600 9.787,601 10.718,602 11.647,603 12.581,604 13,606 1,607 1,609 1,610 1,612 3,613 4,614 6,615 3,616 1,618 5,620 21,622 1,623 1,624 1,628 54,629 22,630 1,631 36,632 59,633 23,634 15,635 3,636 3,637 1,638 6,639 9,644 4,645 2,647 5,649 16,650 7,651 2,653 1,654 1,656 1,658 1,660 23,661 7,662 6,663 8,666 7,667 0.667,668 1,670 1,672 1,674 1,675 2,676 1,677 3,678 2,687 4,691 31,692 2,694 4,695 1,697 3,704 1.9,706 1,709 14.833,710 9.433,711 6.5,712 3.35,713 4.248,714 1.508,715 1.07,716 4.236,717 12.604,718 3.882,719 4.562,720 5.218,721 5.924,722 6.589,723 7.112,724 7.694,725 8.258,726 8.693,727 9.16,728 1,729 54,730 11.476,731 5.184,732 7.683,733 22.228,734 19.847,735 2.183,736 67.667,738 1,739 200.109,740 93.632,741 150.947,743 25.145,745 93.632,746 225.254,747 150.947,749 43.035,750 61.326,751 133.53,752 58.202,753 8.944,754 164.795,756 200.109,757 244.579,758 25.145,760 176.567,761 48.687,764 89.72,765 86.492,766 68.367,767 200.109,768 176.092,769 93.632,770 200.109,771 38.061,772 55.571,773 34.796,774 141.296,775 200.109,776 176.092,777 93.632,778 0.6,779 0.331,780 0.182,781 0.103,782 31,783 13,784 0.102,785 6,786 2,787 1.16,788 4.271,789 309.754,790 0.16,791 25,792 143.58,793 18.732,794 7.01,795 3.54,796 3.503,797 159.307,798 10.795,799 13.128,800 3.399,802 3.214,804 100.591,805 469.833,806 47.5,807 12.094,809 -0.499,810 54.109,811 61.019,812 0.267,813 0.667,814 0.821,815 0.871,816 0.871,817 0.871,818 5.16,819 1.747,820 6.111,821 6.08,822 4.691,823 5.25,824 1.176,825 6.997,826 4.642,827 6.413,828 1.575,829 7.719,830 5.182,831 4.511,832 5.255,834 8.087,835 4.464,836 7.758,837 1.394,838 9.426,839 4.647,840 6.385,841 7.564,842 1.063,843 11.18,844 6.299,845 9.135,846 1.275,847 11.189,848 3.867,849 6.948,850 8.38,852 13.059,853 6.864,854 10.543,855 1.104,856 12.987,857 3.453,858 8.37,859 10.23,860 1.022,861 15.721,862 8.254,863 11.974,864 1,865 14.81,866 2.809,867 9.262,868 11.449,870 17.934,871 9.143,872 13.425,873 0.492,874 16.652,875 2.275,876 10.517,877 13.121,878 0.993,879 20.456,880 10.372,881 3.362,882 0.044,883 18.508,884 1.343,885 11.562,886 14.539,888 22.817,889 11.407,890 3.102,891 12.181,892 20.376,893 0.116,894 12.758,895 16.146,896 0.967,897 25.299,898 12.581,899 2.887,900 10.402,901 22.253,902 4.923,903 13.875,904 17.657,906 27.725,907 13.682,908 2.645,909 9.354,910 24.139,911 3.959,912 15.054,913 19.246,914 0.942,915 30.2,916 14.841,917 2.414,918 8.797,919 26.032,920 3.641,921 16.205,922 20.799,924 32.659,925 15.975,926 2.388,927 7.56,928 27.931,929 3.31,930 17.383,931 22.384,932 0.917,933 35.137,934 17.133,935 2.226,936 6.928,937 29.835,938 3.099,939 18.553,940 23.958,942 37.611,943 18.283,944 12137,945 18905,946 24.679,947 36.586,948 56.33,949 56.444,950 57.689,951 55.241,952 55.309,953 72.621,954 2.76,955 169.988,956 53.836,957 5.825,958 5.57,959 6.47,960 5.41,961 5.362,962 7.923,963 1.96,964 19.667,965 5.295,966 12.858,967 1.565,968 1.568,969 1.602,970 1.534,971 1.536,972 2.017,973 0.077,974 4.722,975 1.495,976 4.233,977 4.263,978 4.208,979 4.148,980 7.437,981 4.16,982 4.002,983 4.05,984 3.894,985 3.911,986 5.213,987 3.9,988 3.863,989 3.911,990 3.828,991 3.728,992 5.062,993 3.747,994 3.732,995 3.791,996 3.601,997 3.627,998 4.871,999 3.608,1000 3.649,1001 3.69,1002 3.581,1003 3.504,1004 4.712,1005 3.524,1006 3.351,1007 3.408,1008 3.292,1009 3.125,1010 4.56,1011 3.156,1012 3.207,1013 3.289,1014 3.127,1015 2.978,1016 4.386,1017 3.007,1018 3.014,1019 3.102,1020 2.898,1021 2.83,1022 4.138,1023 2.836,1024 0.134,1025 0.099,1026 0.196,1027 0.121,1028 0.093,1029 4.825,1030 0.137,1031 3.57,1032 0.027,1033 7.056,1034 0.338,1035 4.342,1036 0.092,1037 3.362,1038 4.923,1039 0.98,1040 12.181,1041 3.295,1042 1.996,1043 1.977,1044 2.056,1045 2.075,1046 1.251,1047 2.069,1048 1.883,1049 1.851,1050 1.938,1051 2.036,1052 1.184,1053 2.01,1054 1.672,1055 1.622,1056 1.763,1057 1.869,1058 1.034,1059 1.845,1060 1.553,1061 1.501,1062 1.737,1063 1.723,1064 0.825,1065 1.729,1066 1.198,1067 1.16,1068 1.513,1069 1.512,1070 0.825,1071 1.473,1072 1.153,1073 1.064,1074 1.513,1075 1.376,1076 0.717,1077 1.429,1078 1.153,1079 1.064,1080 1.365,1081 1.376,1082 0.627,1083 1.429,1084 1.107,1085 1.041,1086 1.288,1087 1.358,1088 0.354,1089 1.345,1090 4.29,1091 2.565,1092 5.666,1093 4.511,1094 7.239,1095 6.402,1096 8.9,1097 8.296,1098 10.608,1102 11.316,1104 5.097,1105 3.723,1107 1.895,1112 35.079,1113 83.029,1114 207.426,1115 255.254,1116 270.764,1117 270.764,1118 270.764,1119 46.665,1120 8.356,1121 135.6,1122 135.6,1123 29,1124 13.082,1125 4.524,1126 3.644,1127 39.347,1128 118,1129 144,1130 0.162,1131 209.316,1132 348.09,1133 502.492,1134 48266,1136 21.112,1137 0.681,1138 0.546,1139 21.112,1140 16.929,1141 15.081,1142 0.419,1143 0.296,1144 10.553,1145 14.616,1146 10.387,1147 8.519,1148 15.081,1149 10.669,1150 14.314,1151 0.265,1152 0.161,1153 14.314,1154 8.692,1155 11.647,1156 0.162,1157 0.081,1158 11.647,1159 5.846,1160 10.162,1161 0.101,1162 0.043,1163 10.162,1164 4.343,1165 8.598,1166 0.063,1167 0.023,1168 8.598,1169 3.063,1170 0.248,1171 93.817,1172 0.201,1173 28.701,1174 0.461,1175 180,1176 447.961,1177 193.649,1178 446.067,1179 628.85,1180 418,1181 222,1182 484.946,1183 236.067,1184 494.503,1185 733.32,1186 468,1187 6.143}
{0 CHEMBL1835149,1 1.806,2 9.533,3 3.341,4 11.165,5 106.289,6 8.818,7 0.588,8 4.012,9 4.134,10 3.7,11 3.532,12 5.233,13 3.561,14 4.539,15 4.687,16 4.14,17 3.928,18 6.169,19 3.941,20 4.742,21 4.93,22 4.16,23 4.037,24 5.997,25 4.033,26 4.853,27 5.043,28 4.257,29 4.067,30 6.207,31 4.085,32 4.89,33 5.111,34 4.145,35 4.022,36 6.244,37 4.025,38 4.732,39 4.924,40 4.131,41 3.998,42 6.033,43 3.995,44 4.78,45 4.974,46 4.122,47 3.94,48 6.179,49 3.949,50 4.71,51 4.931,52 3.912,53 3.793,54 6.044,55 3.785,56 0.233,57 0.998,58 6.948,59 3.919,60 35.28,61 4.197,62 0.908,63 1.873,64 14.567,65 6.908,66 162.528,67 7.758,68 0.784,69 1.763,70 20.884,71 8.377,72 99.587,73 10.157,74 0.946,75 2.055,76 23.524,77 9.241,78 126.675,79 10.194,80 1.244,81 1.936,82 28.533,83 8.925,84 166,85 10.089,86 0.662,87 1.805,88 19.952,89 8.481,90 66.09,91 9.959,92 0.918,93 1.917,94 22.698,95 8.821,96 115.006,97 9.881,98 0.855,99 1.656,100 23.787,101 8.655,102 124.953,103 9.894,104 30,105 52,106 0.303,107 0.701,108 0.849,109 0.873,110 0.873,111 0.873,112 3.442,113 0.829,114 -3.5,115 -3.48,116 -3.32,117 42.6,119 2,120 1,124 1,127 1,129 3,130 5,132 2,134 1,137 1,138 2,140 1,144 1,145 1,146 1,148 1,149 9,151 4,152 1,153 2,154 8,155 8,156 1,158 2,162 6,163 6,165 1,166 5,167 1,168 3,169 2,170 7,171 1,172 5,173 1,175 6,177 4,178 6,179 1,181 4,182 2,183 2,184 5,185 1,186 5,187 2,189 4,191 6,192 6,193 2,195 3,198 3,200 5,201 2,202 1,203 2,205 2,206 1,207 2,208 3,209 2,210 1490,211 19.919,212 19.919,213 19.919,214 19.919,215 19.919,216 17.569,217 12.907,218 11.263,219 20.36,220 16.804,221 16.804,222 16.804,223 16.804,224 16.804,225 13.159,226 18.046,227 5.336,228 17.617,229 3.749,230 1.381,231 0.5,232 0.356,233 0.356,234 0.356,235 4.135,238 1,239 630,240 4.183,241 49.786,242 117.53,243 131.613,244 186.17,246 1.667,247 52.259,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 68.5,258 286,259 4.826,260 4.346,261 7.262,262 4.356,263 3.42,264 4.923,265 3.02,266 12.373,267 3.295,268 4.395,269 3.569,270 7.047,271 4.249,272 3.326,273 3.951,274 0.98,275 12.081,276 3.033,277 4.267,278 3.256,279 6.26,280 3.875,281 2.881,282 3.595,283 0.4,284 9.35,285 2.863,286 4.028,287 2.873,288 6.113,289 3.636,290 2.635,291 3.423,293 8.799,294 2.633,295 3.75,296 2.772,297 5.74,298 3.46,299 2.54,300 3.193,302 7.769,303 2.282,304 3.532,305 2.434,306 5.654,307 3.299,308 2.346,309 2.671,311 7.468,312 2.214,313 3.313,314 2.197,315 4.966,316 2.816,317 1.85,318 2.533,320 5.249,321 1.777,322 3.137,323 1.8,324 4.683,325 2.636,326 1.646,327 2.367,328 4.697,329 1.62,330 3,331 1.61,332 4.424,333 2.508,334 1.545,335 2.225,336 4.307,337 1.481,338 2.698,339 1.389,340 4.177,341 2.186,342 1.228,343 1.731,344 3.262,345 1.17,346 2.363,347 1.319,348 3.839,349 2.02,350 1.077,351 1.308,352 2.813,353 0.999,354 2.192,355 0.874,356 3.382,357 1.838,358 0.855,359 1.147,360 2.065,361 0.838,362 2.118,363 0.618,364 3.275,365 1.547,366 0.618,367 0.927,368 1.372,369 0.572,370 1.911,371 0.51,372 3,373 1.414,374 0.448,375 0.645,376 1.241,377 0.431,378 1.308,379 0.51,380 2.962,381 0.953,382 -0.001,383 -0.001,384 -0.002,385 -0.001,386 13.59,387 0.453,388 1.018,389 0.034,390 38.25,391 1.275,392 18,393 0.6,394 20.25,395 0.675,396 25.604,397 0.853,398 32.61,399 0.694,400 32.356,401 1.079,402 7.477,403 0.249,404 6.848,405 0.228,406 0.117,407 0.037,408 0.405,410 3,412 0.634,413 0.923,414 0.638,415 0.879,416 0.598,417 0.78,418 0.441,419 0.829,420 0.694,421 1.003,422 0.367,423 0.968,424 0.726,425 0.888,426 0.824,427 0.98,428 0.743,429 0.959,430 1.035,431 1.127,432 0.986,433 1.066,434 1.036,435 1.024,436 1.245,437 0.94,438 1.165,439 0.835,440 1.198,441 0.911,442 0.745,443 0.996,444 0.86,445 1.094,446 0.68,447 1.044,448 1.075,449 1.155,450 1.021,451 1.183,452 1.149,453 1.121,454 1.195,455 1.23,456 1.07,457 1.185,458 1.21,459 1.114,460 7,461 0.165,462 3.833,463 2.632,464 2.198,465 1.396,466 1.002,467 0.892,468 0.439,469 0.243,470 11084,471 38117,472 2.116,473 36.2,474 4,475 4,476 1,477 2,478 5,480 1,482 1.736,483 1.946,484 3.211,485 2.485,486 1,487 1,488 84.876,489 1.806,490 4.174,491 5.054,492 5.198,493 5.198,494 5.198,495 2.678,496 4.415,497 4.875,498 3.44,499 1496.45,500 8.548,501 19958.6,503 1,505 1,506 261.066,507 1.648,508 4.818,509 0.206,510 0.011,511 0.078,512 0.052,513 0.041,514 0.029,515 0.021,516 0.02,517 0.012,518 0.008,519 0.477,520 0.17,521 0.88,522 0.855,523 150.764,524 -0.076,525 0.031,526 -0.001,527 0.115,528 -0.088,529 0.107,530 0.347,531 0.205,532 0.077,533 0.012,534 0.397,535 -0.044,536 0.017,537 0.006,538 0.04,539 0.015,540 -0.031,541 0.027,542 -0.091,543 -0.107,544 -0.078,545 -0.087,546 -0.116,547 -0.084,548 -0.186,549 0.098,550 -0.163,551 0.128,552 -0.161,553 0.045,554 -0.01,555 -0.103,556 0.007,557 -0.112,558 0.013,559 -0.064,560 -0.057,561 -0.139,562 -0.064,563 -0.179,564 -0.092,565 -0.146,566 -0.149,567 -0.24,568 -0.033,569 -0.165,570 -0.121,571 -0.082,572 5.655,573 5.573,574 0.7,575 29.2,576 1.035,577 1.152,578 2.271,579 5.159,580 0.673,581 3.555,582 3.97,583 4.248,584 4.585,585 4.828,586 5.037,587 5.288,588 5.521,589 5.652,590 5.7,591 6.09,592 0.674,593 414.43,594 3.555,595 5.153,596 6.043,597 6.973,598 7.883,599 8.817,600 9.738,601 10.674,602 11.6,603 12.537,604 12.8,607 1,609 1,610 2,612 2,613 4,614 6,615 2,616 2,618 4,620 20,622 1,624 1,628 47,629 21,630 1,631 34,632 51,633 20,634 14,635 3,636 3,637 1,638 5,639 8,642 1,644 2,645 1,646 1,647 3,649 15,650 5,651 1,653 1,654 1,656 1,658 1,659 3,660 17,661 8,662 5,663 10,666 6,667 0.6,668 1,671 1,672 1,674 1,675 1,676 2,677 2,678 2,687 3,690 3,691 30,692 1,694 2,695 1,697 2,699 1,703 3,704 2.1,706 1,709 15.417,710 8.245,711 6.222,712 2.729,713 3.961,714 1.489,715 1.062,716 4.349,717 12.065,718 3.829,719 4.516,720 5.174,721 5.889,722 6.498,723 7.067,724 7.66,725 8.222,726 8.638,727 9.059,728 1,729 51,730 11.613,731 5.768,732 8.247,733 20.464,734 17.862,735 2.747,736 82.417,738 1,739 141.253,740 94.423,741 117.805,743 25.145,744 44.88,745 94.423,746 166.398,747 162.685,749 37.966,750 37.476,751 104.851,752 111.126,753 18.387,754 105.94,755 7.76,756 141.253,757 212.228,758 70.025,760 129.482,761 81.796,764 97.269,765 63.5,766 51.459,767 186.134,768 142.95,769 94.423,770 149.013,771 31.093,772 55.571,773 51.459,774 136.371,775 141.253,776 187.83,777 94.423,778 0.606,779 0.338,780 0.186,781 0.098,782 29,783 13,784 0.098,785 5,786 2,787 1.19,788 4.01,789 293.874,790 0.19,791 21,792 140.452,793 19.103,794 6.83,795 3.48,796 2.065,797 154.382,798 10.071,799 8.067,800 5.875,802 1.906,804 84.356,805 423.507,806 45,807 11.906,809 -0.713,810 48.661,811 54.125,812 0.325,813 0.751,814 0.91,815 0.936,816 0.936,817 0.936,818 5.118,819 1.646,820 6.094,821 5.249,822 4.654,823 5.204,824 2.829,825 7.013,826 4.568,827 6.386,828 1.545,829 7.728,830 4.697,831 4.575,832 5.247,833 3.075,834 8.26,835 4.4,836 7.745,837 1.228,838 9.47,839 4.307,840 6.405,841 7.532,842 4.569,843 11.33,844 6.23,845 9.139,846 1.077,847 11.274,848 3.262,849 7.083,850 8.391,851 5.466,852 13.343,853 6.82,854 10.563,855 0.855,856 13.117,857 2.813,858 8.479,859 10.212,860 6.666,861 16.013,862 8.2,863 12.01,864 0.618,865 14.986,866 2.065,867 9.462,868 11.458,869 7.721,870 18.32,871 9.107,872 13.475,873 0.448,874 16.874,875 1.372,876 10.72,877 13.111,878 8.85,879 20.869,880 10.332,881 3.42,882 -0.001,883 18.776,884 1.241,885 11.83,886 14.543,887 9.943,888 23.293,889 11.377,890 3.326,891 12.373,892 20.69,893 -0.002,894 13.045,895 16.141,896 11.055,897 25.807,898 12.549,899 2.881,900 12.081,901 22.613,902 4.923,903 14.21,904 17.659,905 12.157,906 28.278,907 13.655,908 2.635,909 9.35,910 24.544,911 3.951,912 15.416,913 19.243,914 13.264,915 30.783,916 14.813,917 2.54,918 8.799,919 26.481,920 3.595,921 16.605,922 20.799,923 14.368,924 33.273,925 15.949,926 2.346,927 7.769,928 28.424,929 3.423,930 17.811,931 22.383,932 15.474,933 35.776,934 17.107,935 1.85,936 7.468,937 30.371,938 3.193,939 19.013,940 23.957,941 16.579,942 38.275,943 18.258,944 10404,945 19428,946 22.482,947 31.631,948 54.001,949 53.671,950 54.115,951 52.998,952 52.829,953 69.275,954 8.8,955 165.696,956 50.416,957 5.781,958 6.346,959 6.859,960 5.417,961 5.42,962 7.923,963 4.53,964 19.944,965 5.295,966 15.784,967 1.588,968 1.579,969 1.592,970 1.559,971 1.554,972 2.038,973 0.259,974 4.873,975 1.483,976 4.232,977 4.262,978 4.209,979 4.149,980 8.513,981 4.16,982 3.941,983 3.991,984 3.868,985 3.825,986 7.999,987 3.82,988 3.894,989 3.95,990 3.831,991 3.754,992 7.999,993 3.768,994 3.64,995 3.685,996 3.588,997 3.481,998 7.437,999 3.502,1000 3.453,1001 3.513,1002 3.409,1003 3.173,1004 5.098,1005 3.215,1006 3.298,1007 3.353,1008 3.258,1009 3.027,1010 4.995,1011 3.068,1012 3.154,1013 3.234,1014 3.081,1015 2.906,1016 4.866,1017 2.939,1018 2.895,1019 2.964,1020 2.797,1021 2.714,1022 4.607,1023 2.732,1024 0.142,1025 0.128,1026 0.214,1027 0.128,1028 0.101,1029 4.826,1030 0.145,1031 4.346,1032 0.089,1033 7.262,1034 0.364,1035 4.356,1036 0.097,1037 3.42,1038 4.923,1039 3.02,1040 12.373,1041 3.295,1042 1.989,1043 1.972,1044 2.049,1045 2.061,1046 1.234,1047 2.054,1048 1.875,1049 1.844,1050 1.932,1051 2.017,1052 1.114,1053 1.999,1054 1.548,1055 1.501,1056 1.692,1057 1.788,1058 1.02,1059 1.75,1060 1.433,1061 1.399,1062 1.56,1063 1.672,1064 0.825,1065 1.628,1066 1.241,1067 1.141,1068 1.513,1069 1.532,1070 0.673,1071 1.512,1072 1.173,1073 1.119,1074 1.407,1075 1.508,1076 0.358,1077 1.469,1078 1.153,1079 1.064,1080 1.355,1081 1.376,1082 0.285,1083 1.429,1084 1.043,1085 0.974,1086 1.253,1087 1.299,1088 0.262,1089 1.287,1090 4.234,1091 1.946,1092 5.624,1093 4.111,1094 7.197,1095 6.107,1096 8.857,1097 8.057,1098 10.566,1101 40.719,1102 5.476,1104 1.031,1105 2.587,1107 -2.168,1109 -4.405,1112 31.681,1113 84.876,1114 196.172,1115 237.556,1116 244.311,1117 244.311,1118 244.311,1119 66.168,1120 8.103,1121 112.48,1122 112.48,1123 25,1124 13.036,1125 4.459,1126 3.585,1127 41.273,1128 106,1129 111,1130 0.189,1131 187.66,1132 318.4,1133 449.651,1134 34559,1135 6.4,1136 21.043,1137 0.701,1138 0.518,1139 18.543,1140 15.547,1141 14.326,1142 0.421,1143 0.276,1144 9.21,1145 13.592,1146 9.135,1147 7.444,1148 13.114,1149 9.393,1150 14.309,1151 0.275,1152 0.144,1153 12.314,1154 7.508,1155 11.105,1156 0.161,1157 0.075,1158 10.346,1159 5.174,1160 9.839,1161 0.101,1162 0.039,1163 9.097,1164 3.736,1165 7.767,1166 0.063,1167 0.02,1168 6.95,1169 2.43,1170 0.287,1171 91.34,1172 0.211,1173 27.679,1174 0.549,1175 172,1176 671.67,1177 200.917,1178 572.332,1179 758.88,1180 530,1181 210,1182 547.989,1183 233.502,1184 534.745,1185 807.58,1186 504,1187 5.523}
{0 CHEMBL1835150,1 1.769,2 11,3 3.539,4 12.527,5 115.459,6 8.637,7 0.583,8 4.079,9 4.202,10 3.748,11 3.612,12 5.305,13 3.634,14 4.598,15 4.746,16 4.192,17 4.003,18 6.217,19 4.008,20 4.828,21 5.015,22 4.247,23 4.136,24 6.094,25 4.129,26 4.94,27 5.136,28 4.294,29 4.157,30 6.269,31 4.158,32 4.954,33 5.179,34 4.191,35 4.11,36 6.279,37 4.098,38 4.797,39 4.983,40 4.198,41 4.094,42 6.094,43 4.084,44 4.868,45 5.061,46 4.196,47 4.053,48 6.253,49 4.05,50 4.825,51 5.052,52 4.002,53 3.929,54 6.129,55 3.905,56 0.211,57 1.044,58 7.915,59 4.243,60 38.5,61 4.668,62 0.891,63 1.954,64 16.08,65 7.644,66 164.279,67 8.773,68 0.767,69 1.918,70 22.98,71 9.048,72 101.407,73 11.071,74 0.933,75 2.187,76 26.611,77 10.251,78 130.392,79 11.623,80 1.197,81 2.069,82 31.31,83 10.138,84 168.622,85 11.832,86 0.597,87 1.923,88 21.42,89 9.29,90 64.21,91 11.027,92 0.883,93 2.074,94 24.99,95 9.751,96 116.356,97 11.118,98 0.844,99 1.824,100 27.286,101 9.919,102 129.725,103 11.682,104 41,105 55,106 0.292,107 0.659,108 0.8,109 0.863,110 0.876,111 0.876,112 3.503,113 0.835,114 -4.13,115 -4.07,116 -3.85,117 43.1,119 2,120 1,124 1,127 1,129 5,130 5,132 2,134 2,138 2,140 1,144 2,145 2,146 2,149 11,151 5,152 2,153 3,154 8,155 10,156 2,158 3,162 6,163 9,164 1,165 1,166 5,167 1,168 3,169 2,170 6,171 1,172 8,173 2,175 6,177 5,178 8,179 2,181 4,182 2,183 1,184 7,185 1,186 7,187 4,189 4,191 6,192 8,193 3,195 4,197 1,198 4,199 1,200 6,201 3,202 1,203 4,205 1,207 5,208 3,209 4,210 1782,211 21.074,212 21.074,213 21.074,214 21.074,215 21.074,216 18.569,217 16.069,218 11.85,219 21.544,220 17.77,221 17.77,222 17.77,223 17.77,224 17.77,225 13.897,226 20.546,227 5.623,228 18.637,229 3.904,230 1.682,231 0.831,232 0.446,233 0.368,234 0.368,235 4.197,238 1,239 771,240 4.243,241 53.621,242 50.027,243 237.647,244 204.199,246 1.813,247 55.903,249 0.75,250 0.83,251 0.83,252 0.7,253 0.5,254 0.83,255 1,256 0.78,257 72.5,258 352,259 4.826,260 4.346,261 7.262,262 4.356,263 3.42,264 4.923,265 3.02,266 12.373,267 3.295,268 4.395,269 3.569,270 7.047,271 4.249,272 3.326,273 3.959,274 0.98,275 12.081,276 3.033,277 4.273,278 3.256,279 6.26,280 3.881,281 2.888,282 3.641,283 0.4,284 9.354,285 2.869,286 4.047,287 2.884,288 6.115,289 3.645,290 2.646,291 3.426,293 8.805,294 2.64,295 3.792,296 2.778,297 5.74,298 3.461,299 2.541,300 3.241,302 7.772,303 2.297,304 3.606,305 2.497,306 5.654,307 3.345,308 2.389,309 3.001,311 7.474,312 2.248,313 3.528,314 2.317,315 5.045,316 3.174,317 2.227,318 2.535,320 6.08,321 2.101,322 3.214,323 2.181,324 4.959,325 2.728,326 1.746,327 2.467,328 5.187,329 1.701,330 3.029,331 1.655,332 4.667,333 2.534,334 1.569,335 2.263,336 4.647,337 1.508,338 2.874,339 1.51,340 4.282,341 2.382,342 1.391,343 2.023,344 3.863,345 1.374,346 2.659,347 1.356,348 4.175,349 2.158,350 1.21,351 1.686,352 3.262,353 1.14,354 2.5,355 1.257,356 3.838,357 1.996,358 1.046,359 1.5,360 2.792,361 0.976,362 2.211,363 1,364 3.414,365 1.958,366 1,367 1.182,368 2.275,369 0.956,370 1.927,371 0.539,372 3.367,373 1.442,374 0.479,375 0.679,376 1.31,377 0.46,378 1.327,379 0.51,380 2.962,381 0.959,382 0.006,383 0.007,384 0.016,385 0.006,386 14.59,387 0.456,388 1.125,389 0.035,390 42,391 1.313,392 20.5,393 0.641,394 21.5,395 0.672,396 27.282,397 0.853,398 34.61,399 0.679,400 36.467,401 1.14,402 8.16,403 0.255,404 7.059,405 0.221,406 0.136,407 0.034,408 0.411,410 3,412 0.664,413 0.941,414 0.666,415 0.869,416 0.646,417 0.778,418 0.406,419 0.822,420 0.673,421 1.008,422 0.36,423 0.966,424 0.744,425 0.901,426 0.838,427 0.965,428 0.744,429 0.945,430 1.029,431 1.095,432 1.025,433 1.062,434 1.023,435 1.047,436 1.202,437 0.914,438 1.098,439 0.821,440 1.163,441 0.881,442 0.743,443 1.034,444 0.856,445 1.116,446 0.674,447 1.053,448 1.062,449 1.153,450 1.031,451 1.185,452 1.132,453 1.13,454 1.13,455 1.151,456 1.035,457 1.124,458 1.141,459 1.073,460 8,461 0.233,462 4.278,463 2.854,464 2.33,465 1.577,466 1.102,467 0.986,468 0.506,469 0.308,470 13327,471 44714,472 2.089,473 37.3,474 4,475 6,477 2,478 6,480 1,482 1.75,483 1.91,484 3.366,485 3.229,487 1,488 90.211,489 1.769,490 3.99,491 4.842,492 5.226,493 5.305,494 5.305,495 2.91,496 4.476,497 4.966,498 3.59,499 1780.74,500 8.724,501 24941.4,503 1,505 1,506 289.294,507 1.668,508 4.905,509 0.222,510 0.011,511 0.082,512 0.051,513 0.042,514 0.031,515 0.021,516 0.02,517 0.013,518 0.009,519 0.502,520 0.17,521 0.88,522 0.859,523 165.194,524 -0.104,525 0.016,526 -0.009,527 0.125,528 -0.116,529 0.117,530 0.386,531 0.216,532 0.109,533 0.01,534 0.407,535 -0.034,536 0.003,537 0.004,538 0.02,539 0.015,540 -0.038,541 0.019,542 -0.086,543 -0.081,544 -0.107,545 -0.089,546 -0.119,547 -0.104,548 -0.144,549 0.122,550 -0.089,551 0.158,552 -0.137,553 0.094,554 -0.012,555 -0.124,556 -0.001,557 -0.125,558 0.017,559 -0.077,560 -0.051,561 -0.133,562 -0.087,563 -0.186,564 -0.095,565 -0.166,566 -0.113,567 -0.178,568 -0.005,569 -0.112,570 -0.098,571 -0.044,572 5.668,573 5.626,574 0.688,575 34.043,576 1.03,577 1.148,578 2.895,579 8.382,580 0.674,581 3.611,582 4.025,583 4.29,584 4.615,585 4.905,586 5.088,587 5.328,588 5.561,589 5.707,590 5.79,591 6.592,592 0.671,593 440.47,594 3.611,595 5.209,596 6.094,597 7.02,598 7.927,599 8.858,600 9.775,601 10.708,602 11.632,603 12.567,604 11.8,606 1,607 1,609 1,610 1,612 2,613 4,614 7,615 2,616 1,618 5,620 21,622 1,623 1,624 1,628 51,629 22,630 1,631 36,632 55,633 22,634 16,635 3,636 3,637 1,638 5,639 8,642 1,644 2,645 1,646 1,647 3,649 17,650 5,651 1,653 1,654 1,656 1,658 1,659 3,660 19,661 9,662 6,663 10,666 6,667 0.6,668 1,672 2,674 1,675 1,676 1,677 3,678 2,687 3,690 3,691 32,692 2,694 2,695 1,697 2,699 1,703 3,704 2,706 1,709 16.75,710 8.912,711 6.639,712 2.924,713 4.252,714 1.512,715 1.055,716 4.843,717 12.561,718 3.882,719 4.572,720 5.218,721 5.922,722 6.588,723 7.109,724 7.695,725 8.259,726 8.694,727 9.153,728 1,729 56,730 12.359,731 6.088,732 8.237,733 21.813,734 18.932,735 2.737,736 87.583,738 1,739 153.024,740 106.656,741 134.162,743 25.145,744 44.88,745 106.656,746 178.169,747 179.042,749 37.966,750 80.278,751 104.974,752 94.463,753 8.944,754 129.482,755 7.76,756 153.024,757 240.818,758 70.025,760 141.253,761 81.796,764 80.606,765 108.63,766 51.582,767 197.905,768 159.307,769 106.656,770 160.784,771 33.42,772 65.476,773 34.796,774 169.391,775 153.024,776 204.187,777 106.656,778 0.608,779 0.335,780 0.179,781 0.103,782 30,783 14,784 0.091,785 5,786 2,787 1.182,788 4.153,789 318.001,790 0.182,791 22,792 153.245,793 20.743,794 7.472,795 3.934,796 1.993,797 187.401,798 11.762,799 8.236,800 3.14,802 2.2,804 100.591,805 463.867,806 47.5,807 11.965,809 -0.724,810 52.545,811 58.54,812 0.312,813 0.703,814 0.854,815 0.921,816 0.935,817 0.935,818 5.172,819 1.746,820 6.146,821 6.08,822 4.71,823 5.26,824 2.829,825 7.057,826 4.623,827 6.442,828 1.569,829 7.777,830 5.187,831 4.635,832 5.316,833 3.075,834 8.287,835 4.458,836 7.801,837 1.391,838 9.513,839 4.647,840 6.454,841 7.585,842 4.569,843 11.35,844 6.278,845 9.192,846 1.21,847 11.31,848 3.863,849 7.116,850 8.423,851 5.466,852 13.351,853 6.85,854 10.612,855 1.046,856 13.146,857 3.262,858 8.514,859 10.254,860 6.666,861 16.02,862 8.235,863 12.054,864 1,865 15.009,866 2.792,867 9.483,868 11.476,869 7.721,870 18.322,871 9.127,872 13.514,873 0.479,874 16.892,875 2.275,876 10.741,877 13.14,878 8.85,879 20.872,880 10.354,881 3.42,882 0.006,883 18.79,884 1.31,885 11.843,886 14.555,887 9.943,888 23.294,889 11.39,890 3.326,891 12.373,892 20.7,893 0.016,894 13.058,895 16.158,896 11.055,897 25.808,898 12.563,899 2.888,900 12.081,901 22.621,902 4.923,903 14.219,904 17.667,905 12.157,906 28.279,907 13.665,908 2.646,909 9.354,910 24.55,911 3.959,912 15.423,913 19.252,914 13.264,915 30.783,916 14.823,917 2.541,918 8.805,919 26.486,920 3.641,921 16.611,922 20.805,923 14.368,924 33.273,925 15.956,926 2.389,927 7.772,928 28.427,929 3.426,930 17.816,931 22.388,932 15.474,933 35.776,934 17.113,935 2.227,936 7.474,937 30.373,938 3.241,939 19.017,940 23.961,941 16.579,942 38.275,943 18.263,944 12589,945 23211,946 23.581,947 34.392,948 56.831,949 56.924,950 58.097,951 55.954,952 55.765,953 73.07,954 8.8,955 174.583,956 53.208,957 5.781,958 6.346,959 6.677,960 5.416,961 5.42,962 7.923,963 4.53,964 19.944,965 5.295,966 18.361,967 1.579,968 1.581,969 1.614,970 1.554,971 1.549,972 2.03,973 0.244,974 4.85,975 1.478,976 4.232,977 4.261,978 4.208,979 4.15,980 8.513,981 4.161,982 3.939,983 3.988,984 3.861,985 3.826,986 7.999,987 3.824,988 3.888,989 3.927,990 3.831,991 3.791,992 7.999,993 3.795,994 3.656,995 3.695,996 3.605,997 3.537,998 7.437,999 3.548,1000 3.453,1001 3.513,1002 3.409,1003 3.178,1004 5.18,1005 3.218,1006 3.314,1007 3.367,1008 3.272,1009 3.076,1010 5.061,1011 3.109,1012 3.175,1013 3.254,1014 3.113,1015 2.909,1016 4.87,1017 2.95,1018 3.022,1019 3.111,1020 2.902,1021 2.824,1022 4.667,1023 2.838,1024 0.134,1025 0.121,1026 0.202,1027 0.121,1028 0.095,1029 4.826,1030 0.137,1031 4.346,1032 0.084,1033 7.262,1034 0.344,1035 4.356,1036 0.092,1037 3.42,1038 4.923,1039 3.02,1040 12.373,1041 3.295,1042 2.009,1043 1.991,1044 2.075,1045 2.08,1046 1.243,1047 2.079,1048 1.895,1049 1.865,1050 1.947,1051 2.04,1052 1.123,1053 2.015,1054 1.729,1055 1.69,1056 1.831,1057 1.881,1058 1.03,1059 1.869,1060 1.545,1061 1.498,1062 1.691,1063 1.783,1064 0.875,1065 1.746,1066 1.196,1067 1.159,1068 1.513,1069 1.52,1070 0.825,1071 1.474,1072 1.153,1073 1.064,1074 1.363,1075 1.376,1076 0.387,1077 1.429,1078 1.107,1079 1.041,1080 1.291,1081 1.368,1082 0.297,1083 1.349,1084 0.979,1085 0.908,1086 1.23,1087 1.263,1088 0.285,1089 1.259,1090 4.29,1091 1.946,1092 5.68,1093 3.932,1094 7.256,1095 5.9,1096 8.917,1097 7.87,1098 10.625,1101 40.878,1102 11.145,1104 1.013,1105 2.589,1107 -2.194,1109 -4.418,1112 34.208,1113 90.211,1114 203.503,1115 246.929,1116 266.539,1117 270.539,1118 270.539,1119 73.689,1120 8.309,1121 122.71,1122 122.71,1123 26,1124 13.068,1125 4.524,1126 3.644,1127 45.45,1128 123,1129 153,1130 0.18,1131 203.918,1132 350.36,1133 489.319,1134 45354,1135 5.9,1136 22.621,1137 0.707,1138 0.522,1139 20.121,1140 16.702,1141 15.219,1142 0.423,1143 0.278,1144 9.839,1145 14.526,1146 9.735,1147 7.948,1148 14.008,1149 10.015,1150 15.285,1151 0.278,1152 0.145,1153 13.29,1154 7.993,1155 11.765,1156 0.163,1157 0.076,1158 11.007,1159 5.462,1160 10.168,1161 0.102,1162 0.039,1163 9.425,1164 3.903,1165 8.603,1166 0.064,1167 0.02,1168 7.786,1169 2.669,1170 0.276,1171 96.446,1172 0.206,1173 29.364,1174 0.514,1175 182,1176 688.649,1177 210.945,1178 592.515,1179 786.35,1180 548,1181 221,1182 567.481,1183 243.919,1184 557.04,1185 840.45,1186 525,1187 6.125}
{0 CHEMBL1835153,1 1.81,2 11,3 2.893,4 8.37,5 113.912,6 8.829,7 0.583,8 4.068,9 4.192,10 3.754,11 3.581,12 5.313,13 3.614,14 4.585,15 4.737,16 4.198,17 3.971,18 6.229,19 3.986,20 4.801,21 4.985,22 4.248,23 4.103,24 6.085,25 4.107,26 4.917,27 5.11,28 4.296,29 4.127,30 6.268,31 4.139,32 4.939,33 5.165,34 4.194,35 4.078,36 6.281,37 4.078,38 4.771,39 4.953,40 4.201,41 4.064,42 6.093,43 4.065,44 4.849,45 5.04,46 4.198,47 4.023,48 6.251,49 4.031,50 4.805,51 5.03,52 4.005,53 3.896,54 6.127,55 3.883,56 0.242,57 1.054,58 7.359,59 3.98,60 41.445,61 4.306,62 0.949,63 1.94,64 15.311,65 7.267,66 169.35,67 8.205,68 0.816,69 1.882,70 21.517,71 8.489,72 104.545,73 10.273,74 0.998,75 2.15,76 24.884,77 9.62,78 135.582,79 10.698,80 1.285,81 2.009,82 30.456,83 9.492,84 177.068,85 11.004,86 0.661,87 1.906,88 19.781,89 8.748,90 69.113,91 10.157,92 0.947,93 2.04,94 23.621,95 9.284,96 123.523,97 10.471,98 0.923,99 1.781,100 26.277,101 9.44,102 137.649,103 11.083,104 41,105 55,106 0.3,107 0.676,108 0.806,109 0.844,110 0.853,111 0.853,112 3.503,113 0.823,114 -3.57,115 -3.54,116 -3.38,117 42,119 2,120 1,124 1,127 1,129 3,130 5,132 3,134 1,136 1,138 2,140 1,144 2,145 2,146 2,149 9,150 1,151 5,152 3,153 4,154 7,155 8,156 1,158 3,162 5,163 6,165 1,166 7,167 1,168 3,169 2,170 6,171 1,172 5,173 2,175 7,177 4,178 6,179 2,181 5,182 3,183 1,184 6,185 1,186 5,187 4,189 5,191 6,192 6,193 3,195 4,197 1,198 3,199 1,200 5,201 3,202 2,203 2,205 2,207 3,208 3,209 3,210 1782,211 21.074,212 21.074,213 21.074,214 21.074,215 21.074,216 18.569,217 16.069,218 11.85,219 21.614,220 17.77,221 17.77,222 17.77,223 17.77,224 17.77,225 13.897,226 20.546,227 5.623,228 18.746,229 3.834,230 1.566,231 0.78,232 0.55,233 0.495,234 0.495,235 4.197,238 1,239 771,240 4.243,241 53.621,242 50.027,243 237.647,244 204.199,246 1.813,247 57.262,249 0.75,250 0.83,251 0.83,252 0.7,253 0.5,254 0.83,255 1,256 0.78,257 73,258 352,259 4.826,260 4.346,261 7.262,262 4.356,263 3.42,264 4.923,265 3.02,266 12.373,267 3.295,268 4.395,269 3.569,270 7.047,271 4.249,272 3.326,273 3.959,274 0.98,275 12.081,276 3.033,277 4.273,278 3.256,279 6.26,280 3.878,281 2.888,282 3.641,283 0.4,284 9.354,285 2.861,286 4.047,287 2.884,288 6.115,289 3.642,290 2.646,291 3.426,293 8.805,294 2.634,295 3.792,296 2.778,297 5.74,298 3.46,299 2.541,300 3.241,302 7.772,303 2.287,304 3.606,305 2.497,306 5.654,307 3.333,308 2.389,309 3.001,311 7.474,312 2.231,313 3.528,314 2.317,315 5.045,316 3.154,317 2.227,318 2.535,320 6.08,321 2.053,322 3.214,323 2.181,324 4.959,325 2.727,326 1.746,327 2.467,328 5.187,329 1.699,330 3.029,331 1.655,332 4.667,333 2.533,334 1.569,335 2.263,336 4.647,337 1.507,338 2.874,339 1.51,340 4.282,341 2.378,342 1.391,343 2.023,344 3.863,345 1.368,346 2.659,347 1.356,348 4.175,349 2.157,350 1.21,351 1.686,352 3.262,353 1.139,354 2.5,355 1.257,356 3.838,357 1.996,358 1.046,359 1.5,360 2.792,361 0.975,362 2.211,363 1,364 3.414,365 1.917,366 1,367 1.182,368 2.275,369 0.916,370 1.927,371 0.539,372 3.367,373 1.442,374 0.479,375 0.679,376 1.31,377 0.459,378 1.327,379 0.51,380 2.962,381 0.958,382 0.006,383 0.007,384 0.016,385 0.006,386 14.49,387 0.453,388 1.125,389 0.035,390 42.5,391 1.328,392 20.5,393 0.641,394 22,395 0.688,396 26.982,397 0.843,398 34.71,399 0.694,400 36.767,401 1.149,402 8.238,403 0.257,404 6.981,405 0.218,406 0.137,407 0.035,408 0.414,410 3,412 0.682,413 0.994,414 0.652,415 0.896,416 0.651,417 0.779,418 0.407,419 0.779,420 0.661,421 0.976,422 0.36,423 0.942,424 0.759,425 0.926,426 0.828,427 0.978,428 0.751,429 0.946,430 1.052,431 1.12,432 1.041,433 1.084,434 1.042,435 1.065,436 1.224,437 0.924,438 1.112,439 0.809,440 1.177,441 0.871,442 0.757,443 1.031,444 0.866,445 1.127,446 0.69,447 1.065,448 1.069,449 1.18,450 1.034,451 1.22,452 1.145,453 1.155,454 1.138,455 1.179,456 1.037,457 1.157,458 1.154,459 1.094,460 8,461 0.233,462 4.278,463 2.854,464 2.33,465 1.577,466 1.102,467 0.986,468 0.506,469 0.308,470 13327,471 46554,472 2.089,473 36,474 4,475 4,477 3,478 6,480 1,482 1.75,483 1.91,484 3.366,485 3.26,487 1,488 90.489,489 1.81,490 4.078,491 4.863,492 5.094,493 5.149,494 5.149,495 2.91,496 4.476,497 4.966,498 3.59,499 1780.74,500 8.724,501 24941.4,503 1,505 1,506 282.193,507 1.668,508 4.905,509 0.222,510 0.011,511 0.082,512 0.051,513 0.042,514 0.031,515 0.021,516 0.02,517 0.013,518 0.009,519 0.502,520 0.17,521 0.88,522 0.859,523 165.194,524 -0.116,525 -0.026,526 -0.011,527 0.103,528 -0.118,529 0.109,530 0.393,531 0.267,532 0.117,533 0.042,534 0.413,535 -0.016,536 -0.007,537 -0.011,538 0.022,539 0.013,540 -0.039,541 0.024,542 -0.109,543 -0.1,544 -0.132,545 -0.104,546 -0.131,547 -0.122,548 -0.168,549 0.107,550 -0.097,551 0.172,552 -0.149,553 0.109,554 -0.019,555 -0.107,556 -0.022,557 -0.128,558 0.009,559 -0.091,560 -0.064,561 -0.157,562 -0.092,563 -0.209,564 -0.106,565 -0.181,566 -0.121,567 -0.208,568 0.001,569 -0.133,570 -0.106,571 -0.049,572 5.675,573 5.62,574 0.688,575 34.043,576 1.035,577 1.152,578 2.34,579 5.475,580 0.673,581 3.611,582 4.025,583 4.29,584 4.615,585 4.905,586 5.088,587 5.328,588 5.561,589 5.707,590 5.79,591 6.592,592 0.674,593 441.46,594 3.611,595 5.209,596 6.094,597 7.02,598 7.927,599 8.858,600 9.775,601 10.708,602 11.632,603 12.567,604 14,606 1,607 1,609 1,610 1,612 3,613 4,614 6,615 3,616 1,618 5,620 21,622 1,623 1,624 1,628 50,629 22,630 1,631 36,632 54,633 21,634 15,635 3,636 3,637 1,638 5,639 8,642 1,644 2,645 1,646 1,647 3,649 16,650 5,651 1,653 1,654 1,656 1,658 1,659 3,660 18,661 10,662 6,663 11,666 7,667 0.6,668 1,672 1,673 1,674 1,675 1,676 1,677 3,678 2,687 3,690 3,691 32,692 2,694 2,695 1,697 2,699 1,703 3,704 2,706 1,709 16.75,710 8.779,711 6.639,712 2.846,713 4.252,714 1.512,715 1.052,716 4.807,717 12.561,718 3.882,719 4.572,720 5.218,721 5.922,722 6.588,723 7.109,724 7.695,725 8.259,726 8.694,727 9.153,728 1,729 56,730 12.349,731 6.087,732 8.268,733 21.684,734 18.739,735 2.768,736 88.583,738 1,739 141.253,740 96.322,741 150.947,743 25.145,744 44.88,745 96.322,746 166.398,747 195.828,749 37.966,750 61.326,751 133.53,752 103.511,753 8.515,754 105.94,755 7.76,756 141.253,757 247.269,758 70.025,760 129.482,761 81.796,764 91.553,765 87.349,766 68.367,767 186.134,768 176.092,769 96.322,770 149.013,771 32.992,772 55.571,773 34.796,774 186.176,775 141.253,776 220.973,777 96.322,778 0.608,779 0.335,780 0.179,781 0.103,782 30,783 14,784 0.093,785 5,786 2,787 1.182,788 4.153,789 318.001,790 0.182,791 22,792 149.245,793 20.681,794 7.437,795 3.912,796 1.913,797 204.187,798 9.654,799 12.091,800 3.119,802 1.752,804 100.591,805 458.548,806 47.5,807 11.956,809 -0.734,810 51.763,811 57.623,812 0.321,813 0.723,814 0.862,815 0.903,816 0.912,817 0.912,818 5.172,819 1.746,820 6.146,821 6.08,822 4.71,823 5.26,824 2.829,825 7.057,826 4.614,827 6.442,828 1.569,829 7.777,830 5.187,831 4.635,832 5.316,833 3.075,834 8.287,835 4.452,836 7.801,837 1.391,838 9.513,839 4.647,840 6.454,841 7.585,842 4.569,843 11.35,844 6.265,845 9.192,846 1.21,847 11.31,848 3.863,849 7.116,850 8.423,851 5.466,852 13.351,853 6.843,854 10.612,855 1.046,856 13.146,857 3.262,858 8.514,859 10.254,860 6.666,861 16.02,862 8.222,863 12.054,864 1,865 15.009,866 2.792,867 9.483,868 11.476,869 7.721,870 18.322,871 9.119,872 13.514,873 0.479,874 16.892,875 2.275,876 10.741,877 13.14,878 8.85,879 20.872,880 10.343,881 3.42,882 0.006,883 18.79,884 1.31,885 11.843,886 14.555,887 9.943,888 23.294,889 11.382,890 3.326,891 12.373,892 20.7,893 0.016,894 13.058,895 16.158,896 11.055,897 25.808,898 12.554,899 2.888,900 12.081,901 22.621,902 4.923,903 14.219,904 17.667,905 12.157,906 28.279,907 13.658,908 2.646,909 9.354,910 24.55,911 3.959,912 15.423,913 19.252,914 13.264,915 30.783,916 14.815,917 2.541,918 8.805,919 26.486,920 3.641,921 16.611,922 20.805,923 14.368,924 33.273,925 15.95,926 2.389,927 7.772,928 28.427,929 3.426,930 17.816,931 22.388,932 15.474,933 35.776,934 17.107,935 2.227,936 7.474,937 30.373,938 3.241,939 19.017,940 23.961,941 16.579,942 38.275,943 18.258,944 12589,945 23669,946 23.581,947 33.637,948 56.831,949 56.924,950 58.097,951 55.945,952 55.765,953 73.07,954 8.8,955 174.583,956 52.926,957 5.781,958 6.346,959 6.677,960 5.424,961 5.42,962 7.923,963 4.53,964 19.944,965 5.295,966 18.361,967 1.579,968 1.581,969 1.614,970 1.554,971 1.549,972 2.03,973 0.244,974 4.85,975 1.47,976 4.231,977 4.26,978 4.208,979 4.148,980 8.513,981 4.159,982 3.938,983 3.987,984 3.855,985 3.824,986 7.999,987 3.819,988 3.864,989 3.911,990 3.821,991 3.743,992 7.999,993 3.756,994 3.643,995 3.687,996 3.597,997 3.49,998 7.437,999 3.511,1000 3.453,1001 3.513,1002 3.409,1003 3.175,1004 5.239,1005 3.217,1006 3.31,1007 3.365,1008 3.269,1009 3.053,1010 5.063,1011 3.093,1012 3.172,1013 3.252,1014 3.11,1015 2.908,1016 4.87,1017 2.947,1018 3.019,1019 3.11,1020 2.899,1021 2.799,1022 4.677,1023 2.821,1024 0.134,1025 0.121,1026 0.202,1027 0.121,1028 0.095,1029 4.826,1030 0.137,1031 4.346,1032 0.084,1033 7.262,1034 0.344,1035 4.356,1036 0.092,1037 3.42,1038 4.923,1039 3.02,1040 12.373,1041 3.295,1042 2.001,1043 1.983,1044 2.063,1045 2.077,1046 1.237,1047 2.072,1048 1.886,1049 1.856,1050 1.939,1051 2.038,1052 1.117,1053 2.012,1054 1.664,1055 1.616,1056 1.752,1057 1.866,1058 1.023,1059 1.837,1060 1.544,1061 1.497,1062 1.69,1063 1.782,1064 0.825,1065 1.745,1066 1.19,1067 1.15,1068 1.513,1069 1.52,1070 0.752,1071 1.474,1072 1.153,1073 1.064,1074 1.362,1075 1.376,1076 0.364,1077 1.429,1078 1.094,1079 1.023,1080 1.282,1081 1.366,1082 0.285,1083 1.347,1084 0.967,1085 0.889,1086 1.227,1087 1.263,1088 0.235,1089 1.259,1090 4.29,1091 1.946,1092 5.68,1093 3.932,1094 7.256,1095 5.9,1096 8.917,1097 7.87,1098 10.625,1101 40.86,1102 11.026,1104 1.001,1105 2.579,1107 -2.209,1109 -4.425,1112 33.702,1113 90.489,1114 203.889,1115 243.173,1116 254.683,1117 257.438,1118 257.438,1119 73.251,1120 8.309,1121 135.6,1122 135.6,1123 26,1124 13.068,1125 4.524,1126 3.644,1127 45.45,1128 123,1129 153,1130 0.18,1131 201.12,1132 344.06,1133 482.492,1134 45354,1135 6,1136 22.621,1137 0.707,1138 0.518,1139 20.121,1140 16.571,1141 15.219,1142 0.423,1143 0.274,1144 9.683,1145 14.458,1146 9.593,1147 7.827,1148 14.008,1149 9.875,1150 15.285,1151 0.278,1152 0.143,1153 13.29,1154 7.851,1155 11.765,1156 0.163,1157 0.074,1158 11.007,1159 5.348,1160 10.168,1161 0.102,1162 0.038,1163 9.425,1164 3.814,1165 8.603,1166 0.064,1167 0.019,1168 7.786,1169 2.598,1170 0.276,1171 96.9,1172 0.206,1173 29.364,1174 0.514,1175 182,1176 708.294,1177 212.777,1178 609.744,1179 808.75,1180 564,1181 221,1182 583.946,1183 245.585,1184 572.511,1185 863.15,1186 539,1187 4.658}
{0 CHEMBL2011500,1 1.761,2 9.417,3 2.947,4 8.683,5 89.781,6 9.898,7 0.462,8 3.742,9 3.812,10 3.527,11 3.353,12 4.996,13 3.352,14 4.247,15 4.342,16 3.979,17 3.763,18 5.523,19 3.755,20 4.525,21 4.623,22 4.181,23 3.911,24 5.979,25 3.896,26 4.595,27 4.718,28 4.185,29 3.894,30 6.068,31 3.854,32 4.535,33 4.696,34 4.132,35 3.727,36 6.116,37 3.677,38 4.29,39 4.46,40 3.698,41 3.508,42 5.704,43 3.464,44 4.097,45 4.232,46 3.652,47 3.406,48 5.533,49 3.381,50 4.016,51 4.166,52 3.457,53 3.311,54 5.329,55 3.225,56 0.165,57 0.46,58 3.903,59 3.152,60 19.497,61 3.154,62 0.359,63 0.738,64 9.07,65 5.548,66 39.978,67 5.72,68 0.683,69 0.91,70 16.043,71 7.443,72 93.899,73 7.136,74 0.827,75 0.952,76 21.142,77 8.201,78 108.823,79 7.788,80 0.944,81 0.869,82 30.898,83 8.58,84 130.24,85 9.159,86 0.665,87 0.701,88 20.355,89 6.607,90 84.579,91 7.137,92 0.479,93 0.601,94 11.321,95 4.894,96 57.344,97 4.653,98 0.481,99 0.531,100 12.937,101 4.823,102 58.751,103 4.887,104 38,105 39,106 0.317,107 0.701,108 0.791,109 0.856,110 0.866,111 0.866,112 3.229,113 0.902,114 -3.46,115 -3.44,116 -3.29,117 45.9,119 1,122 1,125 1,129 6,130 2,131 4,139 1,140 1,149 5,151 4,153 1,154 3,155 10,158 6,160 1,161 1,162 3,163 8,166 4,168 1,170 5,172 5,174 1,175 5,176 1,177 5,178 5,180 1,181 5,184 4,186 4,189 4,191 2,192 6,195 1,196 1,200 8,202 1,205 1,208 4,210 792,211 15.695,212 15.695,213 15.695,214 15.695,215 15.695,216 13.945,217 16.497,218 8.773,219 16.125,220 12.67,221 12.67,222 12.67,223 12.67,224 12.67,225 9.921,226 18.104,227 4.003,228 13.377,229 3.448,230 1.314,231 0.818,232 0.453,233 0.399,234 0.399,235 3.899,236 2,237 1,238 1,239 479,240 3.391,242 50.81,243 140.491,244 96.744,246 1.417,247 42.197,248 1,249 1,250 1,251 1,252 0.4,253 0.5,254 1,255 1,256 0.84,257 53.167,258 226,259 4.845,260 4.312,261 7.933,262 4.644,263 3.675,264 4.351,265 2.19,266 14.941,267 3.551,268 4.195,269 3.576,270 6.374,271 3.831,272 2.835,273 3.771,274 1.277,275 9.394,276 2.838,277 4.003,278 3.237,279 6.013,280 3.614,281 2.674,282 3.371,283 0.883,284 8.468,285 2.466,286 3.688,287 2.951,288 5.595,289 3.305,290 2.346,291 3.027,292 0.86,293 6.759,294 2.235,295 3.536,296 2.822,297 5.285,298 3.082,299 2.199,300 2.849,301 0.081,302 6.7,303 1.892,304 2.949,305 2.614,306 4.765,307 2.552,308 1.603,309 2.071,311 4.539,312 1.473,313 2.916,314 1.991,315 4.539,316 2.461,317 1.472,318 1.989,320 4.14,321 1.424,322 2.673,323 1.888,324 4.142,325 2.251,326 1.264,327 1.629,328 3.34,329 1.195,330 2.5,331 1.068,332 3.414,333 2,334 1,335 1.5,336 2.275,337 1,338 1.645,339 1,340 3.361,341 1.357,342 0.483,343 0.54,344 0.75,345 0.417,346 1.521,347 0.899,348 2.933,349 1.068,350 0.223,351 0.271,352 0.492,353 0.149,354 1.236,355 0.833,356 2.739,357 0.826,358 -0.066,359 -0.078,360 -0.18,361 -0.053,362 0.832,363 0.603,364 2.623,365 0.479,366 -0.474,367 -0.541,368 -1.017,369 -0.435,370 0.776,371 0.038,372 2.527,373 0.384,374 -0.635,375 -0.846,376 -1.514,377 -0.576,378 0.514,379 -0.16,380 2.2,381 0.104,382 -0.885,383 -1.099,384 -2.289,385 -0.629,386 11.662,387 0.486,388 0.809,389 0.034,390 31.25,391 1.302,392 16,393 0.667,394 15.25,395 0.635,396 19.584,397 0.816,398 25.538,399 0.69,400 24.424,401 1.018,402 6.296,403 0.262,404 5.068,405 0.211,406 0.251,407 0.043,408 0.343,412 0.743,413 1.043,414 0.522,415 0.778,416 0.685,417 0.744,418 0.813,419 1.04,420 0.572,421 0.785,422 0.692,423 0.756,424 1.074,425 1.128,426 0.903,427 0.997,428 1.13,429 0.981,430 1.163,431 1.121,432 1.114,433 1.096,434 1.258,435 1.107,436 0.854,437 0.958,438 0.953,439 1.102,440 1.06,441 1.011,442 0.982,443 0.885,444 0.905,445 0.914,446 1.142,447 0.885,448 1.152,449 1.011,450 0.775,451 0.853,452 1.188,453 0.903,454 1.117,455 0.999,456 1.18,457 0.982,458 1.203,459 1.123,460 6.5,461 0.09,462 4.444,463 2.889,464 2.094,465 1.084,466 0.5,467 0.352,468 0.227,469 0.153,470 5597,471 21693,472 1.982,473 35.1,475 9,478 2,479 2,482 1.672,483 1.789,484 3.163,485 0.337,486 1,487 1,488 65.157,489 1.761,490 3.895,491 4.391,492 4.757,493 4.811,494 4.811,495 2.69,496 4.22,497 4.554,498 3.312,499 914.109,500 7.876,501 10302.4,502 1,503 1,504 1,505 1,506 192.75,507 1.75,508 4.469,509 0.25,510 0.01,511 0.114,512 0.067,513 0.055,514 0.034,515 0.019,516 0.015,517 0.013,518 0.011,519 0.588,520 0.33,521 1,522 0.882,523 112.095,524 -0.093,525 0.04,526 -0.012,527 0.056,528 -0.107,529 0.055,530 -0.046,531 0.001,532 0.06,533 0.093,534 -0.029,535 0.102,536 -0.074,537 -0.126,538 -0.076,539 -0.079,540 -0.063,541 -0.113,542 -0.105,543 -0.13,544 -0.114,545 -0.139,546 -0.09,547 -0.192,548 0.214,549 -0.031,550 0.174,551 -0.083,552 0.211,553 0.021,554 0.024,555 0.058,556 0.044,557 0.077,558 0.002,559 0.146,560 -0.143,561 -0.002,562 0.023,563 0.073,564 -0.084,565 0.018,566 -0.126,567 -0.031,568 -0.156,569 0.004,570 -0.193,571 -0.142,572 3.311,573 5.5,574 0.625,575 17.833,576 1.034,577 1.112,578 2.23,579 4.971,580 0.726,581 3.296,582 3.689,583 4.007,584 4.277,585 4.5,586 4.522,587 4.522,588 4.575,589 4.575,590 4.489,591 5.44,592 0.709,593 366.21,594 3.296,595 4.875,596 5.759,597 6.678,598 7.587,599 8.514,600 9.433,601 10.364,602 11.289,603 12.224,604 2.7,609 1,614 6,618 6,620 12,621 1,626 1,627 2,628 37,629 14,630 2,631 26,632 39,633 17,634 12,635 6,636 6,637 1,638 3,639 4,640 2,645 1,647 1,649 14,650 3,651 1,653 2,654 2,656 2,657 1,658 1,660 13,661 5,662 2,663 7,664 2,666 1,667 0.667,668 4,669 1,676 1,677 2,678 1,681 1,685 1,687 2,688 1,689 2,691 24,693 1,694 1,695 1,696 1,699 1,703 2,704 10.8,705 1,706 2,708 1,709 13.417,710 6.986,711 5.236,712 1.996,713 2.249,714 1.32,715 0.93,716 4.468,717 9.27,718 3.555,719 4.174,720 4.745,721 5.267,722 5.779,723 5.911,724 6.068,725 6.247,726 6.411,727 6.537,728 1,729 43,730 8.984,731 4.12,732 8.179,733 16.175,734 13.421,735 2.679,736 64.306,739 129.482,740 101.486,741 18.011,742 78.297,743 103.973,745 101.486,746 311.752,747 18.011,748 10.883,749 20.545,750 99.541,751 60.128,752 32.372,754 129.482,755 78.297,756 129.482,757 119.496,758 103.973,759 78.297,760 129.482,761 61.29,762 42.683,764 20.545,765 98.951,766 78.297,767 129.482,768 121.984,769 179.783,770 129.482,771 33.745,772 67.741,773 18.011,774 182.27,775 129.482,776 121.984,777 179.783,778 0.601,779 0.372,780 0.194,781 0.107,782 20,783 10,784 0.103,785 4,786 1,787 1.133,788 3.4,789 202.537,790 0.133,791 15,792 106.039,793 17.082,794 6.278,795 2.89,797 121.984,798 9.384,802 1.726,804 60.694,805 431.249,806 34,807 24.774,809 -1.131,810 38.244,811 41.13,812 0.338,813 0.748,814 0.843,815 0.913,816 0.923,817 0.923,818 4.836,819 1.264,820 5.82,821 4.14,822 4.369,823 4.86,824 2.712,825 6.763,826 4.275,827 6.09,828 1,829 7.479,830 3.34,831 4.29,832 4.868,833 1.988,834 8.169,835 4.128,836 7.448,837 0.483,838 9.256,839 2.275,840 6.138,841 7.075,842 3.637,843 11.309,844 5.984,845 8.843,846 0.223,847 11.107,848 0.75,849 6.868,850 7.834,851 3.729,852 13.587,853 6.661,854 10.272,855 -0.066,856 13.009,857 0.492,858 8.29,859 9.591,860 4.92,861 16.387,862 8.082,863 11.725,864 -0.474,865 14.949,866 -0.18,867 9.357,868 10.689,869 5.388,870 18.962,871 9.106,872 13.199,873 -0.635,874 16.918,875 -1.017,876 10.663,877 12.273,878 6.369,879 21.686,880 10.396,881 3.675,882 -0.885,883 18.91,884 -1.514,885 11.866,886 13.539,887 7.004,888 24.352,889 11.561,890 2.835,891 14.941,892 20.92,893 -2.289,894 13.149,895 15.049,896 7.885,897 27.059,898 12.818,899 2.674,900 9.394,901 22.944,902 4.351,903 14.406,904 16.405,905 8.597,906 29.751,907 14.039,908 2.346,909 8.468,910 24.978,911 3.771,912 15.692,913 17.883,914 9.43,915 32.456,916 15.293,917 2.199,918 6.759,919 27.021,920 3.371,921 16.972,922 19.287,923 10.178,924 35.156,925 16.537,926 1.603,927 6.7,928 29.07,929 3.027,930 18.262,931 20.753,932 10.987,933 37.86,934 17.793,935 1.472,936 4.539,937 31.124,938 2.849,939 19.553,940 22.183,941 11.753,942 40.563,943 19.048,944 5582,945 11093,946 16.414,947 26.869,948 40.175,949 42.247,950 42.841,951 39.685,952 39.548,953 50.737,954 10.583,955 123.598,956 37.281,957 5.773,958 6.312,959 7.484,960 5.655,961 5.675,962 7.351,963 3.764,964 23.281,965 5.551,966 14.551,967 1.545,968 1.625,969 1.648,970 1.526,971 1.521,972 1.951,973 0.407,974 4.754,975 1.434,976 4.045,977 4.058,978 4.149,979 3.968,980 7.433,981 3.972,982 3.909,983 3.925,984 3.879,985 3.84,986 7.423,987 3.84,988 3.547,989 3.564,990 3.642,991 3.41,992 6.441,993 3.421,994 3.324,995 3.354,996 3.58,997 3.085,998 4.991,999 3.12,1000 3.154,1001 3.22,1002 3.276,1003 2.917,1004 4.852,1005 2.91,1006 2.954,1007 2.959,1008 2.957,1009 2.85,1010 4.664,1011 2.835,1012 2.854,1013 2.925,1014 2.823,1015 2.735,1016 4.341,1017 2.715,1018 2.687,1019 2.727,1020 2.687,1021 2.506,1022 4.055,1023 2.492,1024 0.186,1025 0.166,1026 0.305,1027 0.179,1028 0.141,1029 4.845,1030 0.167,1031 4.312,1032 0.084,1033 7.933,1034 0.575,1035 4.644,1036 0.137,1037 3.675,1038 4.351,1039 2.19,1040 14.941,1041 3.551,1042 1.922,1043 1.909,1044 2.014,1045 2.015,1046 1.196,1047 2.014,1048 1.861,1049 1.849,1050 1.903,1051 1.924,1052 1.069,1053 1.931,1054 1.546,1055 1.526,1056 1.683,1057 1.755,1058 0.868,1059 1.727,1060 1.22,1061 1.181,1062 1.561,1063 1.527,1064 0.573,1065 1.53,1066 1.088,1067 1.027,1068 1.253,1069 1.373,1070 0.242,1071 1.353,1072 0.905,1073 0.863,1074 1.181,1075 1.131,1076 0.218,1077 1.108,1078 0.886,1079 0.821,1080 1.073,1081 1.062,1082 0.192,1083 1.107,1084 0.728,1085 0.732,1086 0.883,1087 0.817,1088 0.028,1089 0.849,1090 3.97,1092 5.342,1093 2.398,1094 6.921,1095 4.949,1096 8.593,1097 7.235,1098 10.317,1099 1.519,1100 12.16,1103 10.849,1104 -0.446,1105 2.495,1106 5.038,1109 -2.061,1112 26.223,1113 65.157,1114 144.121,1115 162.485,1116 175.995,1117 177.995,1118 177.995,1119 64.368,1120 7.021,1121 75.63,1122 75.63,1123 17,1124 12.725,1125 3.907,1126 3.17,1127 39.202,1128 76,1129 98,1130 0.255,1131 167.686,1132 299.24,1133 400.914,1134 9268,1135 5.4,1136 17.483,1137 0.728,1138 0.588,1139 18.483,1140 14.111,1141 11.363,1142 0.437,1143 0.301,1144 7.02,1145 10.378,1146 6.784,1147 5.554,1148 11.941,1149 7.817,1150 10.735,1151 0.275,1152 0.16,1153 11.476,1154 6.236,1155 9.431,1156 0.175,1157 0.085,1158 10.113,1159 4.59,1160 7.582,1161 0.107,1162 0.045,1163 8.235,1164 3.207,1165 6.129,1166 0.069,1167 0.025,1168 7.019,1169 2.259,1170 0.39,1171 77.709,1172 0.247,1173 22.972,1174 0.734,1175 130,1176 452.096,1177 173.057,1178 488.425,1179 629.32,1180 450,1181 158,1182 399.827,1183 194.376,1184 423.753,1185 626.51,1186 397,1187 4.932}
{0 CHEMBL2087549,1 1.432,2 12.056,3 5.506,4 30.317,5 144.047,6 6.583,7 0.4,8 4.402,9 4.524,10 3.877,11 3.884,12 5.355,13 3.853,14 4.991,15 5.185,16 4.172,17 4.258,18 5.843,19 4.203,20 5.172,21 5.387,22 4.323,23 4.435,24 6.002,25 4.359,26 5.326,27 5.558,28 4.451,29 4.553,30 6.164,31 4.477,32 5.423,33 5.627,34 4.537,35 4.685,36 6.311,37 4.603,38 5.568,39 5.787,40 4.563,41 4.808,42 6.386,43 4.695,44 5.708,45 5.97,46 4.426,47 4.82,48 6.444,49 4.661,50 5.63,51 5.906,52 4.266,53 4.688,54 6.348,55 4.505,56 0.065,57 1.053,58 18.176,59 7.511,60 12.448,61 10.223,62 0.399,63 1.67,64 34.468,65 11.568,66 31.193,67 16.491,68 0.356,69 2.054,70 40.689,71 14.288,72 32.773,73 20.855,74 0.616,75 2.36,76 48.026,77 15.7,78 43.785,79 23.672,80 0.88,81 2.613,82 53.073,83 17.914,84 60.296,85 26.151,86 0.442,87 2.972,88 60.197,89 22.091,90 52.227,91 31.992,92 0.906,93 3.17,94 70.602,95 24.155,96 67.028,97 35.812,98 0.668,99 2.814,100 64.947,101 23.152,102 60.441,103 34.106,104 34,105 56,106 0.222,107 0.51,108 0.741,109 0.799,110 0.807,111 0.816,112 3.616,113 0.993,114 -4.51,115 -4.44,116 -4.18,117 38.7,118 1,119 5,120 2,122 3,123 5,129 5,130 2,131 3,133 1,138 2,147 1,149 10,151 13,155 6,157 2,158 17,163 2,165 3,166 10,172 5,174 5,175 12,178 15,181 11,186 22,188 3,189 6,192 15,194 3,195 8,200 11,203 7,208 5,210 2328,211 25.204,212 25.204,213 25.204,214 25.204,215 25.204,216 23.417,217 29.813,218 14.933,219 26.056,220 19.588,221 19.588,222 19.588,223 19.588,224 19.588,225 16.555,226 35.21,227 6.776,228 20.668,229 4.797,230 2.946,231 1.452,232 1.08,233 1.027,234 0.974,235 4.316,239 942,240 3.937,241 63.482,242 77.757,243 325.461,244 147.213,246 1.731,247 24.573,249 1,250 0.67,251 0.83,252 1,253 1,254 0.83,255 0.5,256 0.83,257 77.5,258 434,259 4.767,260 3.482,261 7.081,262 4.329,263 3.369,264 4.711,265 1.151,266 12.282,267 3.231,268 4.453,269 3.315,270 6.784,271 4.078,272 3.113,273 4.146,274 0.86,275 11.172,276 3.001,277 3.925,278 2.867,279 6.057,280 3.711,281 2.737,282 3.352,283 0.86,284 8.694,285 2.676,286 3.684,287 2.698,288 5.588,289 3.533,290 2.548,291 2.84,292 0.86,293 7.563,294 2.504,295 3.534,296 2.625,297 5.402,298 3.434,299 2.454,300 2.708,301 0.8,302 7.128,303 2.402,304 3.47,305 2.555,306 5.334,307 3.139,308 2.179,309 2.604,311 6.708,312 2.088,313 3.355,314 2.492,315 5.19,316 2.972,317 2.061,318 2.548,320 6.118,321 1.876,322 3.246,323 2.29,324 5.097,325 2.926,326 1.973,327 2.48,328 5.817,329 1.867,330 2.961,331 1.995,332 4.925,333 2.666,334 1.721,335 2.094,336 5.236,337 1.619,338 2.849,339 1.835,340 4.303,341 2.402,342 1.434,343 1.932,344 3.585,345 1.393,346 2.436,347 1.716,348 3.684,349 2.282,350 1.385,351 1.434,352 3.031,353 1.221,354 2.205,355 1.445,356 3.591,357 1.969,358 1.078,359 1.175,360 2.371,361 0.963,362 2.082,363 1.251,364 3.49,365 1.94,366 1,367 1.015,368 2.136,369 0.922,370 2,371 1.2,372 3.247,373 1.787,374 0.872,375 1,376 1.78,377 0.789,378 1.749,379 0.916,380 3.095,381 1.499,382 0.557,383 0.64,384 1.113,385 0.519,386 17.033,387 0.473,388 0.684,389 0.019,390 39,391 1.083,392 15.5,393 0.431,394 23.5,395 0.653,396 42.175,397 1.172,398 41.167,399 0.549,400 31.808,401 0.884,402 7.302,403 0.203,404 10.358,405 0.288,406 0.117,408 0.341,412 0.844,413 1.437,414 0.882,415 1.307,416 0.796,417 1.131,418 1.496,419 1.108,420 1.015,421 0.914,422 1.243,423 0.9,424 0.912,425 1.184,426 0.902,427 1.035,428 0.802,429 0.972,430 0.854,431 1.048,432 0.873,433 0.903,434 0.753,435 0.875,436 1.039,437 1.065,438 1.097,439 1.013,440 0.963,441 1.043,442 0.885,443 1.251,444 1.074,445 1.204,446 0.919,447 1.167,448 0.932,449 0.986,450 1.115,451 1.024,452 1.094,453 1.079,454 0.693,455 1.074,456 1.009,457 1.142,458 0.81,459 1.123,460 6,461 0.191,462 3.167,463 3.194,464 2.344,465 1.618,466 1.399,467 0.701,468 0.397,469 0.385,470 17454,471 36981,472 2.12,473 52,474 7,475 24,479 2,480 6,482 1.783,483 2,484 3.477,485 -0.799,488 107.394,489 1.432,490 3.283,491 4.777,492 5.149,493 5.202,494 5.255,495 3.025,496 4.593,497 5.138,498 3.647,499 2297.72,500 9.084,501 34773.4,506 467.161,507 1.352,508 5.109,509 0.15,510 0.005,511 0.06,512 0.052,513 0.034,514 0.022,515 0.019,516 0.011,517 0.008,518 0.01,519 0.371,520 0.33,521 0.63,522 0.992,523 192.15,524 0.059,525 -0.168,526 0.096,527 -0.118,528 0.096,529 -0.024,530 -0.183,531 -0.001,532 0.021,533 0.119,534 -0.08,535 0.097,536 -0.001,537 -0.064,538 0.084,539 0.002,540 0.08,541 0.044,542 0.081,543 0.072,544 0.123,545 0.092,546 0.14,547 0.114,548 0.051,549 0.082,550 -0.086,551 0.012,552 0.072,553 -0.044,554 -0.065,555 -0.156,556 -0.108,557 -0.15,558 -0.033,559 -0.136,560 -0.057,561 0.03,562 -0.139,563 -0.043,564 -0.147,565 -0.094,566 0.067,567 -0.112,568 -0.055,569 -0.155,570 0.033,571 -0.126,572 1.008,573 2.351,574 0.667,575 37.926,576 0.994,577 1.131,578 3.284,579 10.787,580 0.634,581 3.714,582 4.043,583 4.357,584 4.71,585 4.997,586 5.165,587 5.357,588 5.513,589 5.602,590 5.717,591 6.894,592 0.592,593 493.71,594 3.714,595 5.263,596 6.142,597 7.048,598 7.953,599 8.872,600 9.788,601 10.713,602 11.634,603 12.563,604 4,608 1,610 1,612 1,613 1,614 5,615 1,618 7,620 16,625 1,626 2,628 75,629 16,630 1,631 40,632 79,633 29,634 13,635 4,636 2,638 5,639 6,642 1,644 4,645 2,647 5,649 13,650 16,651 2,660 39,661 6,663 7,666 3,667 0.8,668 4,671 1,672 1,675 1,676 1,677 3,678 1,686 2,687 4,688 4,691 36,694 10,696 4,697 2,698 1,704 5.3,707 2,708 2,709 18,710 14.6,711 8.222,712 4.808,713 3.377,714 1.408,715 0.962,716 8.164,717 11.663,718 3.892,719 4.474,720 5.107,721 5.78,722 6.365,723 6.8,724 7.28,725 7.744,726 8.06,727 8.456,728 1,729 61,730 13.369,731 5.586,732 7.444,733 26.587,734 22.296,735 1.944,736 70,739 459.073,740 146.789,741 20.951,743 44,745 146.789,746 503.073,747 20.951,748 41.474,749 30.661,750 47.381,751 38.663,752 48.66,753 4.901,754 459.073,756 459.073,757 167.741,758 44,760 388.446,761 92.626,762 22,764 43.407,765 107.67,766 16.663,767 459.073,768 64.951,769 146.789,770 459.073,771 57.934,772 93.144,774 60.663,775 459.073,776 64.951,777 146.789,778 0.566,779 0.338,780 0.205,781 0.121,782 27,783 12,784 0.139,785 11,786 1,787 1.083,788 4.434,789 370.614,790 0.083,791 24,792 172.117,793 25.529,794 11.513,795 5.599,796 1.141,797 63.787,798 10.475,799 5.173,802 6.798,805 670.813,806 48,810 74.519,811 84.806,812 0.23,813 0.527,814 0.767,815 0.827,816 0.835,817 0.844,818 5.153,819 1.973,820 6.125,821 6.118,822 4.727,823 5.162,824 2.202,825 6.991,826 4.637,827 6.347,828 1.721,829 7.71,830 5.817,831 4.369,832 5.075,833 0.325,834 8.036,835 4.269,836 7.667,837 1.434,838 9.4,839 5.236,840 6.372,841 7.393,842 2.11,843 11.179,844 6.216,845 9.027,846 1.385,847 11.154,848 3.585,849 6.847,850 8.189,851 0.268,852 13.074,853 6.671,854 10.426,855 1.078,856 12.949,857 3.031,858 8.321,859 10.011,860 2.122,861 15.765,862 8.1,863 11.852,864 1,865 14.773,866 2.371,867 9.18,868 11.214,869 0.188,870 18.014,871 8.927,872 13.301,873 0.872,874 16.62,875 2.136,876 10.458,877 12.852,878 2.21,879 20.562,880 10.163,881 3.369,882 0.557,883 18.484,884 1.78,885 11.497,886 14.241,887 0.125,888 22.954,889 11.162,890 3.113,891 12.282,892 20.363,893 1.113,894 12.705,895 15.81,896 2.359,897 25.458,898 12.329,899 2.737,900 11.172,901 22.253,902 4.711,903 13.826,904 17.279,905 0.082,906 27.906,907 13.406,908 2.548,909 8.694,910 24.152,911 4.146,912 15.015,913 18.824,914 2.553,915 30.398,916 14.553,917 2.454,918 7.563,919 26.06,920 3.352,921 16.174,922 20.33,923 0.054,924 32.87,925 15.668,926 2.179,927 7.128,928 27.974,929 2.84,930 17.36,931 21.867,932 2.777,933 35.359,934 16.811,935 2.061,936 6.708,937 29.894,938 2.708,939 18.537,940 23.391,941 0.035,942 37.843,943 17.944,944 16609,945 24342,946 27.046,947 47.54,948 58.984,949 60.375,950 62.403,951 58.909,952 58.994,953 71.625,954 9.062,955 173.039,956 56.003,957 5.767,958 5.482,959 6.883,960 5.403,961 5.369,962 7.711,963 2.302,964 20.027,965 5.231,966 16.248,967 1.475,968 1.509,969 1.56,970 1.473,971 1.475,972 1.791,973 0.227,974 4.326,975 1.4,976 4.173,977 4.216,978 4.147,979 4.043,980 5.065,981 4.062,982 3.929,983 3.973,984 3.866,985 3.831,986 4.866,987 3.832,988 3.88,989 3.907,990 3.78,991 3.775,992 4.617,993 3.772,994 3.814,995 3.863,996 3.678,997 3.677,998 4.605,999 3.669,1000 3.54,1001 3.599,1002 3.421,1003 3.424,1004 4.58,1005 3.415,1006 3.4,1007 3.446,1008 3.253,1009 3.161,1010 4.35,1011 3.171,1012 3.328,1013 3.404,1014 3.163,1015 3.098,1016 4.284,1017 3.104,1018 3.303,1019 3.355,1020 3.144,1021 3.006,1022 4.134,1023 3.026,1024 0.119,1025 0.087,1026 0.177,1027 0.108,1028 0.084,1029 4.767,1030 0.118,1031 3.482,1032 0.029,1033 7.081,1034 0.307,1035 4.329,1036 0.081,1037 3.369,1038 4.711,1039 1.151,1040 12.282,1041 3.231,1042 1.993,1043 1.972,1044 2.065,1045 2.114,1046 1.426,1047 2.096,1048 1.849,1049 1.81,1050 2.034,1051 2.014,1052 1.235,1053 2.023,1054 1.78,1055 1.745,1056 1.91,1057 1.918,1058 1.148,1059 1.913,1060 1.644,1061 1.589,1062 1.858,1063 1.832,1064 1.04,1065 1.841,1066 1.458,1067 1.387,1068 1.72,1069 1.67,1070 1.004,1071 1.694,1072 1.318,1073 1.271,1074 1.627,1075 1.627,1076 0.825,1077 1.623,1078 1.227,1079 1.163,1080 1.59,1081 1.558,1082 0.825,1083 1.565,1084 1.153,1085 1.082,1086 1.537,1087 1.438,1088 0.732,1089 1.474,1090 4.394,1091 1.946,1092 5.72,1093 3.932,1094 7.258,1095 5.861,1096 8.896,1097 7.776,1098 10.591,1099 7.298,1104 10.227,1106 22.709,1107 1.454,1108 2.634,1112 44.406,1113 107.394,1114 246.213,1115 358.268,1116 386.142,1117 390.142,1118 394.142,1119 57.092,1120 8.286,1121 57.46,1122 57.46,1123 26,1124 13.068,1125 4.087,1126 3.17,1127 53.989,1128 148,1129 174,1130 0.18,1131 267.857,1132 465.44,1133 645.332,1134 44856,1136 25.07,1137 0.696,1138 0.614,1139 25.07,1140 22.087,1141 17.66,1142 0.442,1143 0.331,1144 13.004,1145 16.806,1146 12.595,1147 10.465,1148 17.66,1149 13.238,1150 15.123,1151 0.27,1152 0.18,1153 15.123,1154 10.069,1155 12.863,1156 0.167,1157 0.093,1158 12.863,1159 7.191,1160 11.468,1161 0.104,1162 0.049,1163 11.468,1164 5.337,1165 9.848,1166 0.067,1167 0.027,1168 9.848,1169 3.986,1170 0.275,1171 111.919,1172 0.192,1173 32.196,1174 0.518,1175 192,1176 511.877,1177 210.066,1178 476.041,1179 663.6,1180 454,1181 232,1182 489.142,1183 252.788,1184 496.73,1185 735.71,1186 463,1187 4.788}
{0 CHEMBL2163587,1 1.52,2 11.548,3 2.699,4 7.286,5 115.878,6 7.128,7 0.286,8 4.178,9 4.3,10 3.715,11 3.718,12 5.209,13 3.693,14 4.773,15 4.952,16 4.082,17 4.149,18 5.71,19 4.092,20 5.081,21 5.297,22 4.218,23 4.326,24 6.055,25 4.25,26 5.184,27 5.402,28 4.226,29 4.32,30 6.279,31 4.254,32 5.152,33 5.375,34 4.146,35 4.296,36 6.313,37 4.209,38 5.157,39 5.39,40 4.076,41 4.346,42 6.066,43 4.221,44 5.19,45 5.452,46 3.99,47 4.279,48 6.131,49 4.142,50 5.076,51 5.363,52 3.847,53 4.11,54 6.093,55 3.974,56 0.019,57 0.88,58 12.832,59 5.595,60 10.66,61 7.518,62 0.24,63 1.464,64 25.314,65 9.754,66 30.243,67 13.616,68 0.339,69 1.867,70 36.054,71 12.817,72 53.939,73 18.203,74 0.508,75 1.948,76 41.386,77 13.103,78 89.587,79 18.339,80 0.808,81 1.852,82 40.612,83 13.166,84 140.888,85 18.359,86 0.453,87 1.895,88 39.794,89 14.65,90 67.56,91 20.631,92 0.395,93 1.899,94 42.212,95 14.446,96 77.777,97 21.019,98 0.65,99 1.658,100 38.995,101 12.161,102 109.165,103 18.202,104 21,105 52,106 0.246,107 0.577,108 0.76,109 0.836,110 0.847,111 0.863,112 3.472,113 0.963,114 -2.7,115 -2.72,116 -2.64,117 40.7,119 7,120 2,122 1,123 2,125 1,129 3,130 2,131 1,138 2,140 3,149 11,150 1,151 6,153 1,154 6,155 10,158 11,160 2,162 4,163 6,166 13,168 1,170 3,172 6,174 3,175 7,176 2,177 1,178 11,180 1,181 4,182 1,184 1,186 11,189 9,191 4,192 9,194 3,195 4,198 3,200 6,203 3,205 1,206 1,207 2,208 9,210 1553,211 21.292,212 21.292,213 21.292,214 21.292,215 21.292,216 19.815,217 23.036,218 11.995,219 21.629,220 17.066,221 17.066,222 17.066,223 17.066,224 17.066,225 14.477,226 25.107,227 5.43,228 17.513,229 4.363,230 2.323,231 1.195,232 0.725,233 0.657,234 0.555,235 4.171,238 1,239 794,240 4,241 53.031,242 51.628,243 238.538,244 201.648,246 1.692,247 38.629,249 1,250 1,251 1,252 1,253 0.5,254 1,255 1,256 0.93,257 67,258 358,259 4.693,260 4.392,261 7.303,262 4.447,263 3.47,264 4.654,265 2.439,266 12.984,267 3.387,268 4.556,269 3.903,270 6.872,271 4.256,272 3.28,273 3.624,274 1.943,275 11.508,276 3.203,277 4.232,278 3.651,279 6.708,280 4.092,281 3.095,282 3.418,283 1.902,284 10.794,285 3.085,286 3.908,287 3.384,288 6.066,289 3.626,290 2.659,291 3.293,292 0.86,293 8.675,294 2.566,295 3.709,296 3.219,297 5.88,298 3.391,299 2.413,300 2.884,301 0.736,302 7.941,303 2.355,304 3.3,305 2.878,306 5.17,307 2.926,308 1.947,309 2.608,310 0.137,311 5.934,312 1.896,313 3.162,314 2.424,315 5.057,316 2.856,317 1.874,318 2.159,319 0.079,320 5.579,321 1.83,322 3.054,323 2.195,324 4.477,325 2.516,326 1.529,327 2.011,328 4.078,329 1.503,330 2.897,331 2.104,332 4.175,333 2.378,334 1.395,335 1.604,336 3.431,337 1.37,338 2.611,339 1.646,340 3.832,341 2.226,342 1.264,343 1.466,344 3.054,345 1.21,346 2.476,347 1.431,348 3.724,349 2.07,350 1.067,351 1.203,352 2.67,353 1.065,354 2.187,355 1.392,356 3.604,357 1.846,358 0.829,359 1.123,360 2.01,361 0.834,362 2.075,363 1.353,364 3.498,365 1.7,366 0.739,367 0.957,368 1.453,369 0.707,370 1.86,371 1.056,372 3.249,373 1.581,374 0.646,375 0.75,376 1.367,377 0.597,378 1.489,379 0.804,380 3.17,381 1.165,382 0.248,383 0.298,384 0.441,385 0.226,386 14.6,387 0.471,388 0.795,389 0.026,390 35,391 1.129,392 14.5,393 0.468,394 20.5,395 0.661,396 32.729,397 1.056,398 34,399 0.576,400 26.36,401 0.85,402 6.107,403 0.197,404 8.942,405 0.288,406 0.107,407 0.034,408 0.336,412 0.725,413 1.313,414 0.806,415 1.123,416 0.469,417 0.994,418 0.767,419 1.184,420 0.889,421 1.061,422 0.492,423 1.005,424 0.91,425 1.111,426 0.939,427 1.06,428 0.867,429 1.009,430 1.484,431 1.064,432 1.113,433 1.033,434 1.591,435 1.014,436 1.326,437 0.872,438 1.118,439 0.917,440 1.387,441 0.979,442 0.906,443 1.045,444 1.061,445 1.113,446 0.879,447 1.119,448 0.932,449 1.072,450 1.003,451 1.072,452 1.041,453 1.054,454 0.895,455 0.753,456 0.907,457 0.774,458 1.022,459 0.824,460 6.5,461 0.204,462 4.556,463 3.014,464 2.004,465 1.25,466 0.715,467 0.617,468 0.363,469 0.209,470 12992,471 31411,472 2.132,473 47.5,474 8,475 10,478 2,479 4,480 4,482 1.739,483 1.989,484 3.485,485 0.193,487 1,488 89.676,489 1.52,490 3.56,491 4.687,492 5.158,493 5.226,494 5.327,495 2.906,496 4.825,497 4.927,498 3.634,499 1689.73,500 8.619,501 23392,503 1,505 1,506 347.076,507 1.56,508 4.879,509 0.186,510 0.008,511 0.093,512 0.056,513 0.039,514 0.026,515 0.016,516 0.015,517 0.01,518 0.007,519 0.456,520 0.33,521 0.88,522 0.796,523 159.536,524 -0.033,525 -0.087,526 0.059,527 -0.004,528 0.041,529 0.036,530 0.05,531 -0.068,532 0.03,533 -0.01,534 0.035,535 0.001,537 -0.063,538 0.018,539 -0.055,540 -0.033,541 -0.021,542 -0.175,543 -0.049,544 -0.098,545 -0.076,546 -0.157,547 -0.072,548 -0.016,549 0.121,550 -0.102,551 0.048,552 0.048,553 -0.028,554 -0.013,555 -0.071,556 -0.1,557 -0.095,558 -0.041,559 -0.112,560 -0.049,561 -0.135,562 -0.022,563 -0.091,564 -0.04,565 -0.058,566 0.06,567 0.174,568 0.106,569 0.161,570 0.072,571 0.148,572 1.939,573 6.556,574 0.71,575 28.687,576 1,577 1.129,578 1.473,579 2.171,580 0.653,581 3.584,582 3.97,583 4.29,584 4.564,585 4.804,586 4.92,587 5.106,588 5.268,589 5.347,590 5.438,591 6.718,592 0.62,593 420.56,594 3.584,595 5.165,596 6.061,597 6.98,598 7.892,599 8.814,600 9.732,601 10.655,602 11.574,603 12.497,604 6.8,609 2,610 1,611 1,613 2,614 3,616 1,618 3,620 10,626 1,628 59,629 13,630 1,631 35,632 63,633 24,634 8,635 3,636 3,638 5,639 8,644 7,645 3,647 7,648 1,649 10,650 13,651 3,653 2,654 2,656 2,658 1,660 28,661 6,662 2,663 7,666 4,667 0.6,668 3,674 1,675 1,676 1,677 3,678 2,680 1,681 1,682 1,687 3,688 1,691 31,694 9,695 1,696 1,697 2,698 1,699 1,700 1,701 1,702 1,704 5.1,706 2,708 1,709 15.583,710 10.817,711 6.806,712 3.904,713 2.264,714 1.275,715 0.979,716 5.28,717 10.485,718 3.807,719 4.36,720 4.941,721 5.484,722 5.959,723 6.283,724 6.673,725 7.05,726 7.14,727 7.34,728 0.875,729 54,730 11.644,731 5.264,732 7.761,733 22.529,734 19.999,735 2.261,736 70.083,738 1,739 306.049,740 103.179,741 68.98,743 61.29,745 103.179,746 367.338,747 68.98,748 10.883,749 43.088,750 28.429,751 76.301,752 69.847,753 4.901,754 306.049,756 306.049,757 172.159,758 61.29,760 258.964,761 108.374,764 90.933,765 81.226,767 306.049,768 130.27,769 103.179,770 306.049,771 47.265,772 42.436,773 51.398,774 92.349,775 306.049,776 130.27,777 103.179,778 0.591,779 0.363,780 0.197,781 0.103,782 28,783 12,784 0.063,785 4,786 2,787 1.182,788 4.159,789 299.329,790 0.182,791 22,792 151.58,793 20.546,794 7.966,795 3.75,796 2.069,797 113.484,798 5.974,800 3.483,802 3.109,804 34.796,805 539.497,806 44,807 26.517,809 -0.045,810 58.992,811 66.604,812 0.258,813 0.605,814 0.797,815 0.877,816 0.888,817 0.906,818 5.115,819 1.529,820 6.094,821 5.579,822 4.654,823 5.047,824 3.318,825 7.011,826 4.608,827 6.342,828 1.395,829 7.728,830 4.078,831 4.511,832 5.037,833 2.221,834 8.332,835 4.456,836 7.691,837 1.264,838 9.471,839 3.431,840 6.418,841 7.247,842 4.689,843 11.38,844 6.331,845 9.074,846 1.067,847 11.279,848 3.054,849 7.091,850 8.085,851 3.756,852 13.478,853 6.991,854 10.492,855 0.829,856 13.127,857 2.67,858 8.521,859 9.828,860 6.289,861 16.129,862 8.395,863 11.934,864 0.739,865 15.003,866 2.01,867 9.517,868 11.04,869 5.174,870 18.495,871 9.375,872 13.393,873 0.646,874 16.897,875 1.453,876 10.792,877 12.629,878 7.973,879 21.045,880 10.626,881 3.47,882 0.248,883 18.805,884 1.367,885 11.917,886 14.014,887 6.549,888 23.51,889 11.731,890 3.28,891 12.984,892 20.723,893 0.441,894 13.142,895 15.556,896 9.698,897 26.038,898 12.934,899 3.095,900 11.508,901 22.649,902 4.654,903 14.318,904 17.02,905 7.912,906 28.543,907 14.088,908 2.659,909 10.794,910 24.581,911 3.624,912 15.532,913 18.551,914 11.445,915 31.071,916 15.279,917 2.413,918 8.675,919 26.519,920 3.418,921 16.73,922 20.053,923 9.281,924 33.594,925 16.454,926 1.947,927 7.941,928 28.461,929 3.293,930 17.942,931 21.582,932 13.206,933 36.128,934 17.643,935 1.874,936 5.934,937 30.408,938 2.884,939 19.151,940 23.102,941 10.675,942 38.662,943 18.828,944 12105,945 18916,946 23.463,947 38.523,948 55.021,949 57.907,950 56.486,951 53.014,952 53.106,953 64.355,954 16.191,955 164.204,956 51.855,957 5.693,958 6.392,959 6.981,960 5.497,961 5.47,962 7.654,963 4.876,964 20.457,965 5.387,966 14.578,967 1.572,968 1.654,969 1.614,970 1.515,971 1.517,972 1.839,973 0.463,974 4.692,975 1.482,976 4.166,977 4.198,978 4.128,979 4.073,980 7.432,981 4.083,982 3.981,983 4.025,984 3.904,985 3.86,986 7.423,987 3.863,988 3.867,989 3.914,990 3.772,991 3.761,992 6.817,993 3.755,994 3.666,995 3.716,996 3.565,997 3.526,998 4.996,999 3.528,1000 3.362,1001 3.412,1002 3.275,1003 3.17,1004 4.543,1005 3.183,1006 3.327,1007 3.37,1008 3.221,1009 3.114,1010 4.323,1011 3.132,1012 3.254,1013 3.318,1014 3.087,1015 3.014,1016 4.252,1017 3.018,1018 3.126,1019 3.206,1020 2.958,1021 2.955,1022 4.188,1023 2.947,1024 0.134,1025 0.125,1026 0.209,1027 0.127,1028 0.099,1029 4.693,1030 0.133,1031 4.392,1032 0.07,1033 7.303,1034 0.371,1035 4.447,1036 0.097,1037 3.47,1038 4.654,1039 2.439,1040 12.984,1041 3.387,1042 1.945,1043 1.923,1044 2.099,1045 2.071,1046 1.497,1047 2.079,1048 1.905,1049 1.867,1050 2.019,1051 2.018,1052 1.289,1053 2.016,1054 1.77,1055 1.718,1056 1.932,1057 1.948,1058 1.122,1059 1.951,1060 1.458,1061 1.41,1062 1.6,1063 1.686,1064 0.859,1065 1.661,1066 1.299,1067 1.251,1068 1.574,1069 1.533,1070 0.832,1071 1.536,1072 1.208,1073 1.146,1074 1.52,1075 1.514,1076 0.825,1077 1.517,1078 1.195,1079 1.136,1080 1.513,1081 1.396,1082 0.695,1083 1.429,1084 1.153,1085 1.064,1086 1.436,1087 1.376,1088 0.683,1089 1.411,1090 4.263,1091 1.946,1092 5.631,1093 4.111,1094 7.212,1095 6.168,1096 8.881,1097 8.155,1098 10.594,1099 1.663,1104 6.747,1105 2.933,1106 5.49,1107 -0.638,1108 1.919,1109 -0.689,1110 9.327,1111 2.223,1112 36.552,1113 89.676,1114 210.014,1115 276.547,1116 304.321,1117 308.321,1118 314.321,1119 69.898,1120 8.221,1121 98.22,1122 98.22,1123 26,1124 13.004,1125 3.807,1126 3.322,1127 43.567,1128 125,1129 123,1130 0.17,1131 219.766,1132 389.41,1133 527.99,1134 45437,1136 21.587,1137 0.696,1138 0.576,1139 21.587,1140 17.87,1141 15.049,1142 0.43,1143 0.321,1144 11.097,1145 14.509,1146 10.868,1147 8.893,1148 15.049,1149 11.236,1150 13.666,1151 0.263,1152 0.176,1153 13.666,1154 9.155,1155 12.242,1156 0.17,1157 0.097,1158 12.242,1159 7,1160 10.179,1161 0.107,1162 0.054,1163 10.179,1164 5.137,1165 8.21,1166 0.068,1167 0.031,1168 8.21,1169 3.802,1170 0.265,1171 94.28,1172 0.206,1173 28.788,1174 0.474,1175 174,1176 463.163,1177 188.856,1178 445.237,1179 605.81,1180 416,1181 214,1182 441.551,1183 230.051,1184 447.036,1185 660.65,1186 421,1187 4}
{0 CHEMBL469345,1 1.464,2 13.258,3 3.532,4 12.478,5 122.45,6 7.061,7 0.486,8 4.176,9 4.299,10 3.718,11 3.711,12 5.181,13 3.685,14 4.756,15 4.948,16 4.09,17 4.119,18 5.699,19 4.079,20 5.01,21 5.215,22 4.2,23 4.318,24 5.983,25 4.246,26 5.106,27 5.326,28 4.079,29 4.362,30 5.975,31 4.238,32 5.173,33 5.439,34 3.956,35 4.325,36 5.942,37 4.169,38 5.064,39 5.336,40 3.828,41 4.194,42 5.825,43 4.031,44 4.961,45 5.239,46 3.701,47 4.031,48 5.723,49 3.883,50 4.791,51 5.051,52 3.59,53 3.933,54 5.56,55 3.786,56 0.025,57 0.878,58 12.923,59 5.408,60 7.098,61 7.414,62 0.271,63 1.473,64 25.366,65 8.613,66 20.59,67 12.357,68 0.476,69 1.823,70 33.305,71 11.631,72 43.886,73 16.535,74 0.301,75 1.902,76 36.847,77 14.369,78 39.609,79 20.006,80 0.419,81 1.948,82 41.063,83 15.022,84 42.28,85 21.715,86 0.284,87 1.774,88 36.579,89 13.316,90 35.429,91 19.59,92 0.397,93 1.553,94 33.96,95 11.285,96 40.473,97 16.533,98 0.398,99 1.337,100 28.125,101 9.703,102 30.777,103 14.118,104 10,105 50,106 0.237,107 0.546,108 0.736,109 0.844,110 0.855,111 0.855,112 3.472,113 0.938,114 -3.65,115 -3.62,116 -3.44,117 42.4,118 1,119 1,122 1,123 6,129 8,130 2,131 3,133 2,140 1,149 8,150 1,151 9,155 8,157 3,158 10,163 6,165 1,166 8,172 6,174 1,175 6,178 2,180 1,181 7,186 1,188 1,189 3,192 2,194 2,195 1,200 4,202 1,203 3,208 6,210 1504,211 21.223,212 21.223,213 21.223,214 21.223,215 21.223,216 19.078,217 26.098,218 12.309,219 21.693,220 17.248,221 17.248,222 17.248,223 17.248,224 17.248,225 13.9,226 33.711,227 5.804,228 17.994,229 4.419,230 2.509,231 1.334,232 0.67,233 0.602,234 0.602,235 4.184,238 1,239 917,240 2.739,243 414.951,245 277.987,246 1.975,247 21.433,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 66,258 411,259 4.551,260 3.8,261 6.743,262 4.125,263 3.17,264 4.474,265 2.055,266 10.929,267 3.046,268 4.464,269 3.281,270 6.695,271 4.108,272 3.139,273 4.077,274 0.933,275 10.856,276 3.023,277 3.86,278 3.183,279 5.935,280 3.6,281 2.658,282 3.249,283 0.8,284 8.12,285 2.52,286 3.825,287 2.875,288 5.807,289 3.521,290 2.549,291 3.076,292 0.8,293 7.994,294 2.452,295 3.53,296 2.648,297 5.33,298 3.295,299 2.356,300 2.735,301 0.51,302 6.882,303 2.212,304 3.344,305 2.439,306 5.041,307 3.007,308 2.042,309 2.521,311 5.741,312 1.967,313 3.225,314 2.256,315 4.959,316 2.869,317 1.876,318 2.408,320 5.527,321 1.852,322 3.028,323 2.092,324 4.56,325 2.578,326 1.608,327 2.242,328 4.497,329 1.561,330 2.915,331 1.651,332 4.343,333 2.494,334 1.555,335 2.075,336 4.036,337 1.451,338 2.776,339 1.482,340 4.035,341 2.399,342 1.418,343 1.844,344 3.464,345 1.387,346 2.388,347 1.43,348 3.652,349 2.169,350 1.217,351 1.373,352 2.762,353 1.147,354 2.248,355 1.233,356 3.414,357 1.967,358 1,359 1.16,360 2.275,361 0.965,362 2,363 1.146,364 3.375,365 1.83,366 0.854,367 1,368 2.03,369 0.832,370 1.797,371 0.917,372 3.234,373 1.6,374 0.628,375 0.708,376 1.525,377 0.609,378 1.608,379 0.771,380 2.804,381 1.22,382 0.249,383 0.306,384 0.555,385 0.236,386 14.767,387 0.476,388 0.747,389 0.024,390 40,391 1.29,392 19,393 0.613,394 21,395 0.677,396 27.52,397 0.888,398 33.233,399 0.563,400 29.198,401 0.942,402 7.877,403 0.254,404 7.22,405 0.233,406 0.09,408 0.352,412 0.784,413 1.479,414 0.805,415 1.175,416 0.583,417 1.019,418 1.159,419 1.078,420 0.903,421 0.865,422 0.647,423 0.838,424 1.051,425 0.975,426 1.034,427 0.956,428 0.91,429 0.973,430 0.995,431 1.158,432 1.125,433 1.208,434 0.954,435 1.195,436 0.868,437 0.977,438 1.02,439 1.01,440 0.687,441 1.035,442 0.674,443 1.086,444 1.008,445 1.117,446 0.684,447 1.103,448 1.141,449 0.918,450 1.033,451 0.916,452 1.008,453 0.953,454 1.024,455 0.947,456 1.113,457 0.979,458 0.863,459 1.046,460 5.5,461 0.14,462 4.222,463 2.063,464 1.947,465 0.951,466 0.584,467 0.375,468 0.25,469 0.209,470 14897,471 34520,472 2.16,473 47.5,475 23,479 3,480 2,482 1.731,483 2.044,484 3.646,485 -0.799,487 1,488 86.374,489 1.464,490 3.373,491 4.548,492 5.213,493 5.281,494 5.281,495 3.042,496 4.736,497 4.931,498 3.833,499 1782.43,500 8.575,501 26118.4,503 1,506 347.076,507 1.332,508 4.896,509 0.157,510 0.006,511 0.084,512 0.038,513 0.042,514 0.024,515 0.017,516 0.013,517 0.009,518 0.009,519 0.399,520 0.5,521 0.88,522 0.486,523 163.194,524 0.019,525 -0.29,526 0.088,527 -0.111,528 -0.005,529 -0.023,530 -0.058,531 0.064,532 0.066,533 0.106,534 0.026,535 0.106,536 0.042,537 0.12,538 -0.061,539 0.019,540 0.068,541 -0.019,542 -0.071,543 -0.166,544 -0.17,545 -0.187,546 -0.056,547 -0.195,548 -0.023,549 -0.035,550 -0.043,551 -0.02,552 -0.02,553 -0.034,554 0.027,555 -0.129,556 -0.041,557 -0.136,558 -0.017,559 -0.103,560 -0.089,561 0.026,562 -0.021,563 0.031,564 -0.105,565 0.015,566 -0.019,567 0.025,568 -0.119,569 -0.014,570 -0.061,571 -0.072,572 1.667,573 4.904,574 0.839,575 30.177,576 0.994,577 1.125,578 2.417,579 5.842,580 0.662,581 3.584,582 3.932,583 4.248,584 4.522,585 4.796,586 4.844,587 4.956,588 5.056,589 5.159,590 5.187,591 7.708,592 0.624,593 416.57,594 3.584,595 5.142,596 6.014,597 6.903,598 7.788,599 8.68,600 9.569,601 10.462,602 11.352,603 12.245,604 6.8,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,626 1,628 59,629 18,630 2,631 35,632 63,633 25,634 15,635 6,636 6,638 5,639 7,642 1,647 1,649 16,650 9,653 1,654 1,656 1,658 1,660 28,661 6,663 6,666 4,667 0.6,668 2,672 1,677 5,679 2,682 1,684 1,687 3,688 2,691 31,694 7,696 1,698 3,704 3.4,706 1,708 1,709 15.167,710 11.3,711 6.694,712 3.672,713 3.563,714 1.424,715 1.011,716 5.554,717 11.959,718 3.818,719 4.419,720 5.016,721 5.591,722 6.157,723 6.394,724 6.708,725 7.011,726 7.277,727 7.161,728 0.889,729 54,730 11.499,731 4.914,732 7.543,733 22.594,734 19.067,735 2.043,736 63.333,738 1,739 329.591,740 136.808,741 26.158,743 36.145,745 136.808,746 365.736,747 26.158,748 17.222,749 20.78,750 75.81,751 46.635,752 38.665,754 329.591,756 329.591,757 162.966,758 36.145,760 306.049,761 59.687,764 37.63,765 108.551,766 16.786,767 329.591,768 62.303,769 136.808,770 329.591,771 43.776,772 102.405,774 52.93,775 329.591,776 62.303,777 136.808,778 0.589,779 0.355,780 0.194,781 0.109,782 26,783 11,784 0.063,785 4,786 2,787 1.154,788 4.304,789 287.153,790 0.154,791 26,792 147.58,793 20.289,794 8.486,795 4.001,796 2.297,797 62.303,798 16.78,799 4.681,802 5.245,805 528.702,806 44.5,807 11.904,810 58.665,811 66.394,812 0.249,813 0.573,814 0.773,815 0.886,816 0.898,817 0.898,818 5.077,819 1.608,820 6.004,821 5.527,822 4.615,823 5.106,824 2.506,825 6.838,826 4.533,827 6.274,828 1.555,829 7.578,830 4.497,831 4.205,832 4.934,833 1.803,834 7.786,835 4.078,836 7.584,837 1.418,838 9.253,839 4.036,840 6.232,841 7.304,842 3.344,843 10.907,844 6.067,845 8.929,846 1.217,847 10.988,848 3.464,849 6.648,850 7.98,851 3.307,852 12.694,853 6.436,854 10.308,855 1,856 12.762,857 2.762,858 8.137,859 9.839,860 4.562,861 15.338,862 7.89,863 11.712,864 0.854,865 14.563,866 2.275,867 8.938,868 10.924,869 4.855,870 17.469,871 8.647,872 13.135,873 0.628,874 16.385,875 2.03,876 10.212,877 12.571,878 5.901,879 19.951,880 9.886,881 3.17,882 0.249,883 18.221,884 1.525,885 11.196,886 13.858,887 6.37,888 22.227,889 10.828,890 3.139,891 10.929,892 20.069,893 0.555,894 12.383,895 15.411,896 7.287,897 24.649,898 11.981,899 2.658,900 10.856,901 21.926,902 4.474,903 13.452,904 16.798,905 7.856,906 26.988,907 13.01,908 2.549,909 8.12,910 23.791,911 4.077,912 14.608,913 18.31,914 8.696,915 29.389,916 14.129,917 2.356,918 7.994,919 25.663,920 3.249,921 15.716,922 19.745,923 9.324,924 31.754,925 15.198,926 2.042,927 6.882,928 27.539,929 3.076,930 16.862,931 21.24,932 10.117,933 34.146,934 16.307,935 1.876,936 5.741,937 29.42,938 2.735,939 17.989,940 22.699,941 10.781,942 36.524,943 17.396,944 13685,945 20972,946 23.868,947 39.069,948 52.975,949 54.058,950 54.251,951 52.678,952 52.638,953 66.495,954 10.197,955 154.388,956 50.517,957 5.551,958 5.8,959 6.273,960 5.234,961 5.17,962 7.474,963 3.661,964 18.278,965 5.046,966 13.24,967 1.514,968 1.545,969 1.55,970 1.505,971 1.504,972 1.9,973 0.291,974 4.411,975 1.443,976 4.096,977 4.13,978 4.054,979 4.016,980 7.427,981 4.021,982 3.991,983 4.016,984 3.945,985 3.894,986 4.984,987 3.901,988 3.79,989 3.859,990 3.682,991 3.599,992 4.829,993 3.609,994 3.562,995 3.611,996 3.475,997 3.418,998 4.441,999 3.414,1000 3.506,1001 3.556,1002 3.404,1003 3.346,1004 4.305,1005 3.365,1006 3.323,1007 3.391,1008 3.176,1009 3.169,1010 4.274,1011 3.161,1012 3.141,1013 3.227,1014 2.972,1015 2.954,1016 4.03,1017 2.942,1018 3.111,1019 3.206,1020 2.895,1021 2.941,1022 3.954,1023 2.91,1024 0.13,1025 0.109,1026 0.193,1027 0.118,1028 0.091,1029 4.551,1030 0.128,1031 3.8,1032 0.059,1033 6.743,1034 0.312,1035 4.125,1036 0.087,1037 3.17,1038 4.474,1039 2.055,1040 10.929,1041 3.046,1042 2.048,1043 2.022,1044 2.128,1045 2.147,1046 1.359,1047 2.144,1048 1.944,1049 1.921,1050 2.05,1051 2.07,1052 1.246,1053 2.062,1054 1.745,1055 1.676,1056 1.939,1057 1.958,1058 1.158,1059 1.956,1060 1.529,1061 1.481,1062 1.74,1063 1.722,1064 0.928,1065 1.726,1066 1.479,1067 1.431,1068 1.703,1069 1.654,1070 0.825,1071 1.676,1072 1.323,1073 1.26,1074 1.589,1075 1.518,1076 0.806,1077 1.545,1078 1.153,1079 1.064,1080 1.513,1081 1.415,1082 0.732,1083 1.441,1084 1.119,1085 1.042,1086 1.479,1087 1.376,1088 0.596,1089 1.429,1090 4.263,1092 5.602,1094 7.152,1096 8.798,1098 10.493,1099 3.854,1104 6.109,1106 5.777,1108 6.687,1112 36.837,1113 86.374,1114 199.028,1115 268.347,1116 307.566,1117 311.566,1118 311.566,1119 43.15,1120 8.395,1121 48.91,1122 48.91,1123 30,1124 12.772,1125 4.248,1126 3.392,1127 43.984,1128 148,1129 127,1130 0.145,1131 222.435,1132 384.38,1133 534.502,1134 62496,1136 21.372,1137 0.689,1138 0.586,1139 21.372,1140 18.174,1141 15.097,1142 0.431,1143 0.313,1144 10.796,1145 14.536,1146 10.489,1147 8.641,1148 15.097,1149 10.949,1150 13.728,1151 0.275,1152 0.168,1153 13.728,1154 8.382,1155 12.204,1156 0.177,1157 0.093,1158 12.204,1159 6.41,1160 10.182,1161 0.112,1162 0.05,1163 10.182,1164 4.571,1165 8.702,1166 0.073,1167 0.028,1168 8.702,1169 3.363,1170 0.235,1171 94.287,1172 0.205,1173 29.45,1174 0.382,1175 170,1176 440.052,1177 184.722,1178 424.47,1179 594.85,1180 402,1181 204,1182 448.006,1183 220.913,1184 453.676,1185 670.08,1186 428,1187 5.4}
{0 CHEMBL513715,1 1.481,2 13.167,3 3.327,4 11.066,5 117.553,6 7.188,7 0.5,8 4.131,9 4.253,10 3.685,11 3.673,12 5.148,13 3.651,14 4.703,15 4.885,16 4.054,17 4.079,18 5.678,19 4.04,20 4.97,21 5.18,22 4.131,23 4.257,24 5.939,25 4.183,26 5.027,27 5.256,28 4.002,29 4.28,30 5.855,31 4.155,32 5.068,33 5.328,34 3.901,35 4.248,36 5.852,37 4.098,38 5.008,39 5.284,40 3.791,41 4.131,42 5.777,43 3.974,44 4.881,45 5.151,46 3.662,47 3.971,48 5.67,49 3.833,50 4.716,51 4.964,52 3.528,53 3.876,54 5.515,55 3.728,56 0.025,57 0.837,58 12.004,59 5.084,60 6.577,61 6.869,62 0.231,63 1.4,64 23.426,65 8.295,66 21.755,67 11.65,68 0.486,69 1.743,70 31.91,71 10.996,72 46.177,73 15.55,74 0.265,75 1.765,76 33.946,77 13.267,78 30.94,79 18.59,80 0.343,81 1.794,82 36.521,83 13.573,84 37.264,85 19.615,86 0.28,87 1.681,88 34.809,89 12.526,90 35.776,91 18.407,92 0.388,93 1.453,94 31.261,95 10.333,96 39.207,97 14.951,98 0.356,99 1.248,100 25.755,101 9.202,102 30.232,103 13.157,104 5,105 48,106 0.242,107 0.566,108 0.733,109 0.848,110 0.859,111 0.859,112 3.44,113 0.931,114 -3.44,115 -3.42,116 -3.27,117 42.9,118 1,119 1,123 6,129 8,130 2,131 3,133 2,140 1,149 8,151 8,153 1,154 1,155 8,157 2,158 8,160 1,162 2,163 6,165 1,166 6,170 2,172 6,174 1,175 6,178 2,181 7,182 1,186 1,188 1,189 3,192 2,194 2,195 1,200 4,203 3,205 1,208 6,210 1376,211 20.67,212 20.67,213 20.67,214 20.67,215 20.67,216 18.477,217 25.471,218 12.128,219 21.09,220 16.807,221 16.807,222 16.807,223 16.807,224 16.807,225 13.431,226 33.361,227 5.768,228 17.487,229 4.326,230 2.341,231 1.321,232 0.621,233 0.549,234 0.549,235 4.156,238 1,239 886,240 2.646,243 400.254,245 268.055,246 1.956,247 21.15,249 1,250 1,251 1,252 0.8,253 0.5,254 1,255 1,256 0.9,257 64,258 395,259 4.551,260 3.662,261 6.695,262 4.109,263 3.139,264 4.474,265 2.03,266 10.856,267 3.046,268 4.392,269 3.281,270 6.518,271 4.018,272 3.056,273 4.034,274 0.892,275 10.25,276 2.938,277 3.856,278 3.182,279 5.807,280 3.583,281 2.647,282 3.249,283 0.8,284 8.002,285 2.474,286 3.657,287 2.874,288 5.378,289 3.37,290 2.408,291 2.875,292 0.8,293 6.98,294 2.334,295 3.525,296 2.645,297 5.267,298 3.267,299 2.294,300 2.734,301 0.141,302 6.616,303 2.203,304 3.344,305 2.28,306 4.961,307 3.007,308 2.041,309 2.52,311 5.733,312 1.967,313 3.216,314 2.208,315 4.809,316 2.858,317 1.866,318 2.406,320 5.274,321 1.842,322 3.027,323 2.032,324 4.559,325 2.575,326 1.599,327 2.241,328 4.493,329 1.559,330 2.911,331 1.65,332 4.189,333 2.467,334 1.515,335 2.071,336 3.793,337 1.435,338 2.775,339 1.476,340 4.035,341 2.398,342 1.417,343 1.842,344 3.463,345 1.385,346 2.27,347 1.301,348 3.451,349 1.983,350 1.049,351 1.203,352 2.412,353 0.972,354 2.142,355 1.146,356 3.414,357 1.967,358 1,359 1.093,360 2.275,361 0.965,362 2,363 1.056,364 3.364,365 1.806,366 0.838,367 1,368 1.999,369 0.808,370 1.72,371 0.881,372 3.154,373 1.529,374 0.575,375 0.64,376 1.375,377 0.545,378 1.213,379 0.63,380 2.645,381 0.834,382 -0.136,383 -0.154,384 -0.338,385 -0.131,386 14.267,387 0.476,388 0.674,389 0.022,390 39.25,391 1.308,392 19,393 0.633,394 20.25,395 0.675,396 25.505,397 0.85,398 31.933,399 0.57,400 27.767,401 0.926,402 7.712,403 0.257,404 6.958,405 0.232,406 0.058,408 0.336,412 0.805,413 1.396,414 0.795,415 1.12,416 0.586,417 0.978,418 1.09,419 1.151,420 0.916,421 0.945,422 0.619,423 0.902,424 1.069,425 0.956,426 1.06,427 0.94,428 0.956,429 0.976,430 0.837,431 1.109,432 1.052,433 1.152,434 0.563,435 1.14,436 0.733,437 1.02,438 1.016,439 1.057,440 0.658,441 1.072,442 0.674,443 1.046,444 0.973,445 1.071,446 0.674,447 1.058,448 1.2,449 0.901,450 1.076,451 0.915,452 1.044,453 0.967,454 0.981,455 1.035,456 1.165,457 1.089,458 0.905,459 1.147,460 5.5,461 0.128,462 3.556,463 1.75,464 1.716,465 0.833,466 0.584,467 0.313,468 0.2,469 0.199,470 13872,471 33031,472 2.186,473 46.4,475 20,478 1,479 3,480 2,482 1.722,483 2.093,484 3.631,485 -0.382,487 1,488 82.961,489 1.481,490 3.466,491 4.486,492 5.187,493 5.258,494 5.258,495 3.023,496 4.548,497 4.882,498 3.815,499 1659.61,500 8.478,501 23764.6,503 1,505 1,506 325.212,507 1.231,508 4.859,509 0.162,510 0.006,511 0.074,512 0.035,513 0.04,514 0.022,515 0.018,516 0.011,517 0.008,518 0.009,519 0.384,520 0.5,521 0.88,522 0.424,523 156.398,524 -0.008,525 -0.217,526 0.078,527 -0.073,528 -0.009,529 -0.001,530 -0.045,531 -0.023,532 0.032,533 0.031,534 0.051,535 0.042,536 0.018,537 0.124,538 -0.089,539 0.022,540 0.02,541 -0.03,542 -0.032,543 -0.131,544 -0.103,545 -0.137,546 0.014,547 -0.134,548 0.006,549 -0.067,550 -0.05,551 -0.062,552 -0.011,553 -0.064,554 0.034,555 -0.098,556 0.003,557 -0.093,558 -0.003,559 -0.055,560 -0.122,561 0.054,562 -0.06,563 0.033,564 -0.127,566 -0.008,567 -0.072,568 -0.181,569 -0.109,570 -0.083,571 -0.164,572 1.755,573 4.535,574 0.867,575 29.209,576 0.996,577 1.125,578 2.209,579 4.881,580 0.666,581 3.555,582 3.892,583 4.19,584 4.477,585 4.754,586 4.796,587 4.898,588 5.011,589 5.118,590 5.136,591 7.585,592 0.631,593 402.54,594 3.555,595 5.106,596 5.969,597 6.853,598 7.73,599 8.617,600 9.498,601 10.387,602 11.269,603 12.158,604 7.1,605 1,608 1,609 1,612 1,613 2,614 8,615 1,618 5,620 17,625 1,626 1,628 56,629 18,630 2,631 34,632 60,633 24,634 15,635 6,636 6,638 5,639 7,642 1,647 1,649 16,650 8,653 1,654 1,656 1,658 1,660 26,661 6,662 1,663 6,666 4,667 0.6,668 2,672 1,677 5,679 2,681 1,684 1,687 3,688 1,691 30,694 7,695 1,696 1,698 2,704 3.6,706 1,708 1,709 14.333,710 10.35,711 6.472,712 3.497,713 3.558,714 1.428,715 1.022,716 5.32,717 11.864,718 3.795,719 4.394,720 4.975,721 5.564,722 6.133,723 6.365,724 6.668,725 6.988,726 7.257,727 7.129,728 0.889,729 50,730 11.119,731 4.768,732 7.561,733 21.813,734 18.451,735 2.061,736 61.833,737 1,738 1,739 294.278,740 128.412,741 41.045,743 36.145,745 128.412,746 330.422,747 41.045,748 8.825,749 35.666,750 75.81,751 46.635,752 38.665,754 294.278,756 294.278,757 169.457,758 36.145,760 270.735,761 59.687,764 52.517,765 100.154,766 16.786,767 294.278,768 77.19,769 128.412,770 294.278,771 43.776,772 90.884,773 18.011,774 52.93,775 294.278,776 77.19,777 128.412,778 0.584,779 0.344,780 0.193,781 0.111,782 25,783 10,784 0.067,785 4,786 2,787 1.154,788 4.277,789 272.868,790 0.154,791 26,792 141.207,793 19.347,794 8.249,795 4.035,796 2.294,797 77.19,798 16.659,799 4.674,802 5.102,804 18.011,805 499.879,806 43.5,807 11.535,809 -0.088,810 55.781,811 62.979,812 0.255,813 0.597,814 0.773,815 0.893,816 0.905,817 0.905,818 5.045,819 1.599,820 5.948,821 5.274,822 4.575,823 5.081,824 2.452,825 6.76,826 4.498,827 6.237,828 1.515,829 7.503,830 4.493,831 4.111,832 4.89,833 1.738,834 7.653,835 4.001,836 7.542,837 1.417,838 9.156,839 3.793,840 6.168,841 7.277,842 3.301,843 10.764,844 6.012,845 8.88,846 1.049,847 10.87,848 3.463,849 6.524,850 7.934,851 3.226,852 12.512,853 6.333,854 10.252,855 1,856 12.624,857 2.412,858 8.036,859 9.807,860 4.5,861 15.137,862 7.807,863 11.648,864 0.838,865 14.406,866 2.275,867 8.79,868 10.882,869 4.754,870 17.243,871 8.525,872 13.064,873 0.575,874 16.21,875 1.999,876 10.073,877 12.536,878 5.815,879 19.702,880 9.773,881 3.139,882 -0.136,883 18.029,884 1.375,885 11.022,886 13.82,887 6.249,888 21.958,889 10.688,890 3.056,891 10.856,892 19.862,893 -0.338,894 12.208,895 15.377,896 7.175,897 24.357,898 11.842,899 2.647,900 10.25,901 21.706,902 4.474,903 13.251,904 16.762,905 7.714,906 26.676,907 12.852,908 2.408,909 8.002,910 23.557,911 4.034,912 14.398,913 18.276,914 8.557,915 29.054,916 13.968,917 2.294,918 6.98,919 25.416,920 3.249,921 15.486,922 19.712,923 9.16,924 31.4,925 15.024,926 2.041,927 6.616,928 27.28,929 2.875,930 16.62,931 21.208,932 9.952,933 33.771,934 16.127,935 1.866,936 5.733,937 29.149,938 2.734,939 17.729,940 22.668,941 10.594,942 36.129,943 17.205,944 12673,945 19707,946 23.463,947 37.307,948 50.946,949 52.351,950 52.144,951 50.864,952 50.891,953 64.766,954 9.327,955 147.041,956 48.946,957 5.551,958 5.662,959 6.232,960 5.217,961 5.139,962 7.474,963 3.634,964 18.031,965 5.046,966 10.734,967 1.498,968 1.54,969 1.534,970 1.496,971 1.497,972 1.905,973 0.274,974 4.325,975 1.44,976 4.095,977 4.129,978 4.054,979 4.015,980 7.429,981 4.021,982 3.981,983 4.006,984 3.933,985 3.887,986 4.984,987 3.893,988 3.787,989 3.856,990 3.68,991 3.597,992 4.84,993 3.608,994 3.538,995 3.587,996 3.448,997 3.416,998 4.441,999 3.41,1000 3.496,1001 3.538,1002 3.398,1003 3.302,1004 4.305,1005 3.327,1006 3.323,1007 3.39,1008 3.175,1009 3.168,1010 4.274,1011 3.161,1012 3.111,1013 3.206,1014 2.948,1015 2.952,1016 3.986,1017 2.939,1018 3.087,1019 3.162,1020 2.866,1021 2.941,1022 3.893,1023 2.91,1024 0.134,1025 0.108,1026 0.197,1027 0.121,1028 0.092,1029 4.551,1030 0.132,1031 3.662,1032 0.06,1033 6.695,1034 0.319,1035 4.109,1036 0.09,1037 3.139,1038 4.474,1039 2.03,1040 10.856,1041 3.046,1042 2.048,1043 2.022,1044 2.128,1045 2.147,1046 1.358,1047 2.144,1048 1.938,1049 1.915,1050 2.046,1051 2.062,1052 1.242,1053 2.056,1054 1.743,1055 1.674,1056 1.936,1057 1.954,1058 1.152,1059 1.952,1060 1.525,1061 1.477,1062 1.735,1063 1.696,1064 0.894,1065 1.703,1066 1.436,1067 1.395,1068 1.657,1069 1.646,1070 0.825,1071 1.656,1072 1.32,1073 1.259,1074 1.565,1075 1.517,1076 0.804,1077 1.542,1078 1.153,1079 1.064,1080 1.513,1081 1.376,1082 0.708,1083 1.429,1084 1.111,1085 1.039,1086 1.424,1087 1.303,1088 0.48,1089 1.349,1090 4.234,1092 5.565,1094 7.102,1096 8.736,1098 10.417,1099 2.035,1104 6.069,1105 2.891,1106 5.686,1108 4.976,1112 35.31,1113 82.961,1114 194.115,1115 251.238,1116 290.457,1117 294.457,1118 294.457,1119 40.018,1120 8.306,1121 57.7,1122 57.7,1123 30,1124 12.689,1125 4.248,1126 3.392,1127 41.934,1128 141,1129 122,1130 0.146,1131 212.843,1132 367.08,1133 511.096,1134 56332,1136 20.501,1137 0.683,1138 0.574,1139 20.501,1140 17.227,1141 14.67,1142 0.431,1143 0.31,1144 10.415,1145 14.144,1146 10.17,1147 8.356,1148 14.67,1149 10.555,1150 13.328,1151 0.278,1152 0.167,1153 13.328,1154 8.006,1155 11.467,1156 0.176,1157 0.092,1158 11.467,1159 5.977,1160 9.877,1161 0.114,1162 0.05,1163 9.877,1164 4.382,1165 8.492,1166 0.074,1167 0.028,1168 8.492,1169 3.223,1170 0.235,1171 91.508,1172 0.206,1173 28.716,1174 0.382,1175 164,1176 428.739,1177 178.361,1178 414.171,1179 578.75,1180 392,1181 195,1182 434.091,1183 210.749,1184 438.911,1185 646.87,1186 415,1187 5.6}