@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2937 @attribute molecule_id {CHEMBL19611,CHEMBL318252,CHEMBL319782,CHEMBL328199,CHEMBL328645,CHEMBL329967,CHEMBL409536,CHEMBL419896,CHEMBL431226,CHEMBL496942,CHEMBL523034,CHEMBL95414,CHEMBL98202,CHEMBL98390,CHEMBL98852,CHEMBL99045,CHEMBL99365,CHEMBL99995} @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.012 numeric @attribute C.015 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.018 numeric @attribute C.019 numeric @attribute C.020 numeric @attribute C.022 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.028 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.038 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_AN numeric @attribute CATS2D_01_DA numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DN numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AN numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_NL 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 CMC.80 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute DECC numeric @attribute DELS 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 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.80 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.067 numeric @attribute N.068 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 nAB numeric @attribute nArCOOH numeric @attribute nArOCON numeric @attribute nArOR 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 nCONN numeric @attribute nCp numeric @attribute nCq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCs numeric @attribute nCsp numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NdCH2 numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdsCH numeric @attribute NdsN numeric @attribute NdssC numeric @attribute Neoplastic.80 numeric @attribute nFuranes numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nN numeric @attribute nN.CO.2 numeric @attribute NNRS numeric @attribute nO numeric @attribute nPyridines numeric @attribute nPyrroles numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nR.C. numeric @attribute nRCNO numeric @attribute nRCO numeric @attribute nRCONHR numeric @attribute nRCOOH numeric @attribute nRCOOR numeric @attribute nR.Cp numeric @attribute nR.Cs numeric @attribute nR.Ct numeric @attribute nRNHO numeric @attribute nRNR2 numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute nSK numeric @attribute nS..O.2 numeric @attribute nSO2N numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nTB numeric @attribute NtsC numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 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.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_i_1 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_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_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_s_1 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 S.107 numeric @attribute S.110 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 SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdCH2 numeric @attribute SddssS numeric @attribute SdO numeric @attribute SdsCH numeric @attribute SdsN 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 SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC 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 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 1.574,2 10.214,3 1.362,4 1.854,5 105.245,6 6.938,7 0.345,8 4.093,9 4.23,10 3.56,11 3.553,12 5.238,13 3.527,14 4.627,15 4.819,16 3.884,17 3.951,18 5.691,19 3.888,20 4.931,21 5.15,22 3.969,23 4.107,24 6.053,25 4.017,26 5.06,27 5.305,28 3.973,29 4.122,30 6.118,31 4.037,32 5.034,33 5.263,34 4.08,35 4.112,36 6.31,37 4.038,38 5.111,39 5.354,40 4.075,41 4.117,42 6.326,43 4.052,44 5.071,45 5.296,46 4.004,47 4.104,48 6.272,49 4.041,50 5.062,51 5.302,52 3.91,53 4.09,54 6.265,55 3.983,56 0.13,57 0.802,58 12.681,59 4.877,60 17.115,61 6.943,62 0.308,63 1.228,64 22.672,65 8.24,66 43.168,67 12.058,68 0.526,69 1.476,70 32.047,71 10.639,72 95.909,73 15.655,74 0.632,75 1.551,76 37.763,77 10.706,78 111.972,79 16.395,80 0.793,81 1.545,82 36.426,83 10.726,84 139.414,85 16.294,86 0.867,87 1.574,88 40.283,89 10.686,90 141.65,91 16.495,92 0.785,93 1.529,94 38.549,95 10.214,96 134.048,97 15.404,98 0.791,99 1.496,100 37.961,101 11.158,102 132.423,103 16.705,104 74,105 39,106 0.261,107 0.614,108 0.819,109 0.875,110 0.88,111 0.88,112 3.374,113 0.967,114 -2.43,115 -2.46,116 -2.41,117 35.7,118 2,119 3,120 2,122 1,124 1,133 4,134 2,137 1,138 1,140 3,145 1,147 11,150 2,151 3,152 6,154 11,157 4,158 2,159 1,160 9,161 8,164 4,166 6,167 6,169 2,170 6,171 3,172 2,173 7,174 4,177 6,179 2,180 2,181 8,182 4,185 5,187 1,188 8,189 6,191 1,192 6,194 2,195 1,196 7,197 7,200 2,201 1,202 1,203 3,204 8,206 1336,207 18.447,208 18.447,209 18.447,210 18.447,211 18.447,212 16.875,213 15.486,214 10.922,215 18.632,216 14.158,217 14.158,218 14.158,219 14.158,220 14.158,221 11.582,222 11.901,223 5.02,224 14.289,225 4.233,226 2.11,227 0.875,228 0.54,229 0.505,230 0.505,231 4.034,232 1,233 579,234 5.05,235 72.436,236 87.346,237 134.426,239 1.444,240 39.066,241 1,242 1,243 0.83,244 1,245 1,246 1,247 1,248 0.98,249 62,250 286,251 4.529,252 3.89,253 6.542,254 4.076,255 3.089,256 4.474,257 2.071,258 10.336,259 3.049,260 4.066,261 3.784,262 6.161,263 3.89,264 2.892,265 3.24,266 1.97,267 9.076,268 2.883,269 3.855,270 3.617,271 5.928,272 3.663,273 2.662,274 3.025,275 1.891,276 8.279,277 2.653,278 3.542,279 3.13,280 5.108,281 3.236,282 2.217,283 2.727,284 0.589,285 5.904,286 2.244,287 3.381,288 3.085,289 4.957,290 3.065,291 2.057,292 2.696,293 0.313,294 5.729,295 2.067,296 3.154,297 2.343,298 4.668,299 2.969,300 1.975,301 2.318,302 0.062,303 5.08,304 1.959,305 3.046,306 2.276,307 4.243,308 2.519,309 1.546,310 2.162,312 3.816,313 1.501,314 2.691,315 1.863,316 4.084,317 2.392,318 1.414,319 1.747,320 3.499,321 1.374,322 2.517,323 1.713,324 3.689,325 2.163,326 1.168,327 1.49,328 2.809,329 1.159,330 2.264,331 1.546,332 3.561,333 1.965,334 0.963,335 1.145,336 2.349,337 0.956,338 2.031,339 1.2,340 3.121,341 1.562,342 0.602,343 0.83,344 1.376,345 0.576,346 1.488,347 1.092,348 2.762,349 1.35,350 0.337,351 0.357,352 0.473,353 0.339,354 1.464,355 0.729,356 2.626,357 1.155,358 0.158,359 0.187,360 0.214,361 0.155,362 1.046,363 0.594,364 2.453,365 0.751,366 -0.243,367 -0.288,368 -0.649,369 -0.239,370 0.895,371 0.34,372 2,373 0.713,374 -0.331,375 -0.373,376 -0.794,377 -0.343,378 12.933,379 0.462,380 0.736,381 0.026,382 29.75,383 1.063,384 12.5,385 0.446,386 17.25,387 0.616,388 28.286,389 1.01,390 32.667,391 0.583,392 25.266,393 0.902,394 5.95,395 0.213,396 7.4,397 0.264,398 0.219,400 0.348,401 0.731,402 1.339,403 0.896,404 1.151,405 0.618,406 1.059,407 0.57,408 1.188,409 0.872,410 1.128,411 0.55,412 1.065,413 0.828,414 1.149,415 1.002,416 1.157,417 0.894,418 1.122,419 1.219,420 0.999,421 1.029,422 0.927,423 1.247,424 0.936,425 0.828,426 1.107,427 0.929,428 1.093,429 0.86,430 1.038,431 1.212,432 0.956,433 0.979,434 0.899,435 1.252,436 0.891,437 1.56,438 0.987,439 1.195,440 0.948,441 1.607,442 0.99,443 1.097,444 1.024,445 1.101,446 1.077,447 1.079,448 1.094,449 6.5,450 0.187,451 3.333,452 1.917,453 1.497,454 1.059,455 0.765,456 0.597,457 0.392,458 0.216,459 8314,460 24335,461 1.916,462 50,463 9,464 8,465 1,467 5,468 3,469 2,471 1.718,472 1.75,473 3.316,474 2.502,475 1,476 1,477 88.167,478 1.574,479 3.697,480 4.932,481 5.267,482 5.303,483 5.303,484 2.697,485 4.522,486 4.781,487 3.477,488 1314.24,489 8.352,490 17623.1,491 1,493 325.212,494 1.55,495 4.706,496 0.224,497 0.009,498 0.085,499 0.048,500 0.037,501 0.025,502 0.018,503 0.015,504 0.011,505 0.008,506 0.48,507 0.17,508 1,509 2.392,510 139.906,511 -0.021,512 0.018,513 0.002,514 0.06,515 -0.033,516 0.038,517 0.108,518 0.013,519 0.037,520 0.005,521 0.047,522 0.004,523 0.04,524 -0.078,525 -0.054,526 -0.095,527 0.005,528 -0.095,529 -0.171,530 -0.011,531 -0.036,532 0.046,533 -0.15,534 0.035,535 0.193,536 -0.078,537 0.057,538 -0.1,539 0.183,540 -0.058,541 -0.024,542 0.014,543 0.043,544 0.037,545 -0.02,546 0.052,547 -0.253,548 0.013,549 -0.164,550 0.001,551 -0.206,552 -0.052,553 -0.013,554 -0.053,555 -0.107,556 -0.096,557 0.012,558 -0.119,559 2.297,560 5.792,561 0.321,562 24.286,563 1.006,564 1.14,565 1.199,566 1.438,567 0.625,568 3.401,569 3.689,570 3.892,571 4.094,572 4.248,573 4.263,574 4.331,575 4.382,576 4.263,577 4.205,578 6.296,579 0.594,580 388.52,581 3.401,582 4.92,583 5.74,584 6.6,585 7.447,586 8.314,587 9.172,588 10.041,589 10.906,590 11.777,591 7.1,594 3,595 1,598 2,599 5,601 1,603 1,604 10,608 56,609 13,610 1,611 29,612 57,613 20,614 8,615 2,616 4,618 2,619 3,621 2,625 4,627 11,628 9,629 2,630 3,633 3,636 3,637 1,639 28,640 7,641 5,642 8,644 4,646 0.5,647 4,649 1,650 1,651 1,652 1,657 2,663 1,665 1,667 1,670 3,671 28,674 1,675 3,676 3,679 3,684 7.1,685 1,687 3,690 16,691 10.367,692 6.444,693 3.3,694 2.066,695 1.305,696 0.904,697 8.177,698 8.835,699 3.638,700 4.147,701 4.626,702 5.127,703 5.558,704 5.779,705 6.131,706 6.46,707 6.23,708 6.396,709 0.857,710 40,711 10.444,712 4.408,713 8.054,714 19.424,715 15.541,716 2.554,717 71.5,719 270.735,720 102.619,721 67.28,722 118.24,724 102.619,725 388.976,726 67.28,727 26.047,728 58.098,729 89.758,730 89.549,731 22.544,732 13.915,733 258.964,734 270.735,735 169.899,736 118.24,738 247.193,739 98.977,740 42.806,741 92.534,742 77.365,745 270.735,746 185.52,747 102.619,749 270.735,750 29.62,751 72.999,752 67.28,753 118.24,754 270.735,755 185.52,756 102.619,757 0.57,758 0.326,759 0.167,760 0.095,761 15,762 9,763 0.158,764 9,765 1,766 1.222,767 3.77,768 227.207,769 0.222,770 9,771 132.606,774 22.085,775 10.367,776 6.153,777 1.945,778 168.735,779 9.565,781 3.161,783 0.915,784 110.085,785 558.875,786 37,789 36.732,792 -1.326,793 56.32,794 63.813,795 0.271,796 0.637,797 0.849,798 0.907,799 0.913,800 0.913,801 4.864,802 1.414,803 5.727,804 3.816,805 4.369,806 4.832,807 3.088,808 6.509,809 4.353,810 6.047,811 1.168,812 7.277,813 3.499,814 4.007,815 4.691,816 2.546,817 7.391,818 4.012,819 7.339,820 0.963,821 8.926,822 2.809,823 5.938,824 6.955,825 4.157,826 10.45,827 5.907,828 8.664,829 0.602,830 10.632,831 2.349,832 6.365,833 7.67,834 4.239,835 12.147,836 6.348,837 10.023,838 0.337,839 12.374,840 1.376,841 7.789,842 9.461,843 5.387,844 14.728,845 7.744,846 11.406,847 0.158,848 14.142,849 0.473,850 8.574,851 10.594,852 5.752,853 16.767,854 8.532,855 12.808,856 -0.243,857 15.928,858 0.214,859 9.8,860 12.208,861 6.691,862 19.174,863 9.738,864 3.089,865 -0.331,866 17.728,867 -0.649,868 10.754,869 13.542,870 7.203,871 21.363,872 10.687,873 2.892,874 10.336,875 19.539,876 -0.794,877 11.9,878 15.086,879 8.035,880 23.707,881 11.817,882 2.662,883 9.076,884 21.359,885 4.474,886 12.932,887 16.511,888 8.628,889 25.963,890 12.84,891 2.217,892 8.279,893 23.185,894 3.24,895 14.049,896 18.028,897 9.402,898 28.285,899 13.943,900 2.057,901 5.904,902 25.017,903 3.025,904 15.118,905 19.494,906 10.042,907 30.574,908 15.001,909 1.975,910 5.729,911 26.854,912 2.727,913 16.225,914 20.999,915 10.785,916 32.891,917 16.094,918 1.546,919 5.08,920 28.695,921 2.696,922 17.313,923 22.483,924 11.452,925 35.196,926 17.17,927 8560,928 14734,929 18.205,930 34.978,931 42.88,932 47.124,933 45.097,934 42.1,935 42.16,936 52.797,937 13.794,938 117.881,939 41.832,940 5.481,941 5.89,942 6.224,943 5.105,944 5.089,945 7.474,946 3.641,947 17.11,948 5.049,949 18.074,950 1.479,951 1.625,952 1.555,953 1.452,954 1.454,955 1.821,956 0.476,957 4.065,958 1.442,959 4.13,960 4.165,961 4.085,962 4.047,963 7.437,964 4.052,965 3.867,966 3.911,967 3.777,968 3.725,969 7.428,970 3.726,971 3.689,972 3.743,973 3.595,974 3.515,975 7.423,976 3.524,977 3.559,978 3.613,979 3.428,980 3.368,981 6.493,982 3.369,983 3.417,984 3.485,985 3.305,986 3.251,987 4.969,988 3.262,989 3.356,990 3.414,991 3.264,992 3.044,993 4.319,994 3.087,995 3.178,996 3.258,997 2.999,998 2.93,999 4.263,1000 2.94,1001 2.953,1002 3.024,1003 2.804,1004 2.79,1005 4.207,1006 2.783,1007 0.156,1008 0.134,1009 0.226,1010 0.141,1011 0.107,1012 4.529,1013 0.154,1014 3.89,1015 0.071,1016 6.542,1017 0.356,1018 4.076,1019 0.105,1020 3.089,1021 4.474,1022 2.071,1023 10.336,1024 3.049,1025 1.942,1026 1.919,1027 2.045,1028 2.028,1029 1.366,1030 2.033,1031 1.826,1032 1.781,1033 2.028,1034 1.99,1035 1.239,1036 1.999,1037 1.692,1038 1.642,1039 1.866,1040 1.889,1041 1.048,1042 1.888,1043 1.527,1044 1.471,1045 1.761,1046 1.755,1047 0.989,1048 1.754,1049 1.431,1050 1.368,1051 1.674,1052 1.695,1053 0.693,1054 1.69,1055 1.239,1056 1.163,1057 1.493,1058 1.572,1059 0.562,1060 1.543,1061 1.118,1062 1.057,1063 1.417,1064 1.419,1065 0.477,1066 1.412,1067 0.981,1068 0.922,1069 1.354,1070 1.239,1071 0.469,1072 1.308,1073 4.078,1074 5.371,1075 2.398,1076 6.841,1077 4.727,1078 8.393,1079 6.823,1080 9.993,1081 5.403,1082 8.781,1083 0.636,1084 6.923,1087 -1.236,1091 33.266,1092 88.167,1093 207.034,1094 276.192,1095 294.947,1096 296.947,1097 296.947,1098 99.383,1099 6.77,1100 123.32,1101 123.32,1102 11,1103 12.321,1104 3.807,1105 3.17,1106 61.447,1107 103,1108 102,1109 0.284,1110 210.501,1111 368.72,1112 505.382,1113 6740,1114 20.681,1115 0.739,1116 0.586,1117 20.681,1118 16.412,1119 13.35,1120 0.46,1121 0.322,1122 9.218,1123 12.774,1124 8.916,1125 7.502,1126 13.35,1127 9.352,1128 11.779,1129 0.302,1130 0.187,1131 11.779,1132 7.305,1133 9.191,1134 0.191,1135 0.097,1136 9.191,1137 4.662,1138 6.953,1139 0.118,1140 0.056,1141 6.953,1142 3.315,1143 5.529,1144 0.08,1145 0.03,1146 5.529,1147 2.095,1148 0.439,1149 84.516,1150 0.234,1151 26.521,1152 0.798,1153 136,1154 432.688,1155 150.632,1156 413.013,1157 536.15,1158 380,1159 155,1160 371.04,1161 168.942,1162 373.208,1163 532.94,1164 349,1165 8.469} {0 CHEMBL318252,1 1.559,2 16.179,3 4.364,4 19.043,5 153.024,6 7.26,7 0.405,8 4.404,9 4.513,10 4.048,11 3.965,12 5.447,13 3.907,14 4.975,15 5.148,16 4.344,17 4.359,18 6.081,19 4.286,20 5.265,21 5.461,22 4.445,23 4.545,24 6.337,25 4.438,26 5.404,27 5.639,28 4.424,29 4.561,30 6.404,31 4.433,32 5.374,33 5.6,34 4.429,35 4.535,36 6.471,37 4.414,38 5.406,39 5.65,40 4.375,41 4.508,42 6.535,43 4.374,44 5.307,45 5.544,46 4.276,47 4.42,48 6.38,49 4.302,50 5.138,51 5.342,52 4.176,53 4.312,54 6.295,55 4.201,56 0.123,57 1.078,58 19.48,59 8.026,60 22.829,61 9.965,62 0.369,63 1.766,64 34.565,65 12.975,66 63.539,67 16.824,68 0.496,69 2.246,70 48.297,71 17.196,72 95.753,73 22.429,74 0.681,75 2.387,76 57.854,77 19.807,78 107.029,79 25.998,80 0.762,81 2.312,82 55.561,83 19.154,84 138.599,85 25.241,86 1.015,87 2.311,88 58.93,89 19.783,90 167.899,91 25.964,92 0.732,93 2.097,94 55.241,95 17.757,96 122.738,97 22.865,98 0.754,99 1.815,100 41.622,101 14.344,102 111.742,103 18.545,104 58,105 59,106 0.239,107 0.568,108 0.777,109 0.837,110 0.841,111 0.841,112 3.693,113 1.068,114 -4.27,115 -4.21,116 -3.97,117 39.5,118 3,119 2,120 1,123 5,124 1,127 1,128 1,133 9,134 2,135 2,136 2,140 1,144 1,147 13,149 2,150 11,154 13,157 15,158 1,160 1,161 8,163 2,164 12,166 1,167 9,169 1,170 8,171 2,173 2,174 16,176 5,177 9,181 2,182 14,185 4,187 1,188 2,189 16,191 4,192 8,197 12,200 9,201 1,203 1,204 2,206 3325,207 25.789,208 25.789,209 25.789,210 25.789,211 25.789,212 23.182,213 28.777,214 15.115,215 26.455,216 20.675,217 20.675,218 20.675,219 20.675,220 20.675,221 16.556,222 32.939,223 7.127,224 21.715,225 4.688,226 2.545,227 1.188,228 0.793,229 0.767,230 0.767,231 4.383,233 1345,234 5,236 560.711,238 218.934,239 2.706,240 51.396,241 0.75,242 0.67,243 0.67,244 0.9,245 0.5,246 0.83,247 1,248 0.76,249 84.5,250 631,251 4.854,252 5.253,253 7.311,254 4.265,255 3.399,256 4.701,257 2.95,258 12.527,259 3.024,260 4.529,261 4.159,262 6.531,263 4.057,264 3.073,265 4.469,266 2.001,267 10.315,268 2.921,269 4.003,270 3.203,271 6.045,272 3.758,273 2.794,274 3.442,275 1.151,276 8.652,277 2.686,278 3.888,279 3.077,280 5.513,281 3.558,282 2.613,283 3.214,284 0.8,285 7.427,286 2.469,287 3.634,288 2.929,289 5.387,290 3.432,291 2.493,292 3.008,293 0.68,294 7.063,295 2.326,296 3.573,297 2.777,298 5.202,299 3.24,300 2.255,301 2.855,302 0.586,303 6.43,304 2.214,305 3.475,306 2.655,307 5.171,308 3.143,309 2.161,310 2.663,312 6.276,313 2.123,314 3.414,315 2.642,316 5.016,317 3.048,318 2.08,319 2.453,320 5.943,321 2.005,322 3.117,323 2.342,324 4.816,325 2.803,326 1.836,327 2.327,328 4.957,329 1.766,330 2.896,331 2.253,332 4.401,333 2.625,334 1.675,335 2.077,336 4.509,337 1.575,338 2.889,339 2.052,340 4.009,341 2.393,342 1.4,343 1.893,344 3.177,345 1.389,346 2.554,347 1.907,348 3.861,349 2.263,350 1.262,351 1.519,352 3.091,353 1.254,354 2.512,355 1.435,356 3.604,357 2.095,358 1.114,359 1.5,360 2.783,361 1.089,362 2.5,363 1.402,364 3.414,365 2,366 1,367 1.446,368 2.275,369 1,370 2,371 1.208,372 3.414,373 1.984,374 1,375 1,376 2.275,377 0.983,378 18.7,379 0.479,380 1.118,381 0.029,382 46.25,383 1.186,384 22,385 0.564,386 24.25,387 0.622,388 40.99,389 1.051,390 43.7,391 0.575,392 40.237,393 1.032,394 8.781,395 0.225,396 9.859,397 0.253,398 0.152,399 0.045,400 0.283,401 0.598,402 1.326,403 0.872,404 1.221,405 0.663,406 1.049,407 0.832,408 1.102,409 0.964,410 1.02,411 0.584,412 0.959,413 0.991,414 1.153,415 1.119,416 1.147,417 0.827,418 1.107,419 1.022,420 0.977,421 0.997,422 1.004,423 1.008,424 0.971,425 0.917,426 1.041,427 0.961,428 1.072,429 0.961,430 1.035,431 0.938,432 0.891,433 0.975,434 0.948,435 0.858,436 0.914,437 1.313,438 0.9,439 1.116,440 0.966,441 1.46,442 0.876,443 1.413,444 0.956,445 1.077,446 0.933,447 1.771,448 1.06,449 10,450 0.384,451 4.667,452 2.625,453 2.551,454 1.583,455 1.056,456 0.604,457 0.508,458 0.446,459 26472,460 65430,461 2.016,462 48.7,463 6,464 21,466 1,467 1,468 3,469 5,471 1.791,472 1.865,473 3.898,474 -0.383,477 118.521,478 1.559,479 3.703,480 5.06,481 5.455,482 5.481,483 5.481,484 3.414,485 4.856,486 5.255,487 4.167,488 3087.64,489 9.25,490 55243,493 474.842,494 1.589,495 5.198,496 0.238,497 0.01,498 0.079,499 0.043,500 0.044,501 0.028,502 0.019,503 0.012,504 0.011,505 0.011,506 0.495,507 0.17,508 0.88,509 1.02,510 222.429,511 0.107,512 -0.094,513 0.166,514 -0.021,515 -0.077,516 0.015,517 0.045,518 0.039,519 0.032,520 0.042,521 0.133,522 0.047,523 -0.047,524 -0.072,525 -0.091,526 -0.096,527 0.023,528 -0.109,529 -0.018,530 0.006,531 0.03,532 0.005,533 -0.018,534 0.019,535 0.098,536 -0.057,537 0.037,538 -0.071,539 0.087,540 -0.044,541 0.159,542 0.058,543 0.071,544 0.051,545 0.18,546 0.069,547 -0.106,548 0.055,549 -0.003,550 0.067,551 -0.118,552 0.105,553 -0.104,554 0.041,555 -0.126,556 0.013,557 -0.222,558 -0.107,559 4.706,560 6.214,561 0.564,562 54.071,563 1.001,564 1.125,565 3.04,566 9.241,567 0.656,568 3.761,569 4.094,570 4.304,571 4.533,572 4.762,573 4.796,574 4.86,575 4.913,576 5.05,577 5.081,578 9.464,579 0.616,580 551.77,581 3.761,582 5.313,583 6.146,584 7.024,585 7.876,586 8.755,587 9.615,588 10.495,589 11.359,590 12.239,591 3.9,593 1,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 76,609 21,610 2,611 42,612 79,613 30,614 15,615 4,616 8,618 4,619 5,621 3,623 2,625 3,627 18,628 12,629 1,630 4,632 1,633 3,634 2,636 1,639 37,640 8,641 1,642 9,643 1,644 3,646 0.75,647 5,648 1,651 4,653 1,661 1,662 1,663 1,664 1,665 1,667 3,669 1,670 3,671 39,672 1,674 1,675 7,677 1,679 2,680 2,684 6.6,685 1,687 3,689 1,690 20.917,691 14.217,692 8.542,693 4.601,694 3.833,695 1.469,696 0.946,697 9.656,698 11.996,699 4.016,700 4.605,701 5.095,702 5.624,703 6.164,704 6.418,705 6.7,706 6.953,707 7.368,708 7.485,709 0.909,710 61,711 14.821,712 6.606,713 7.84,714 27.882,715 23.256,716 2.34,717 91.25,719 423.76,720 175.797,721 19.91,722 123.263,723 6.046,724 169.751,725 547.023,726 19.91,727 26.476,728 16.878,729 143.614,730 109.01,731 34.763,733 411.989,734 423.76,735 189.661,736 123.263,737 6.046,738 364.904,739 139.313,740 42.806,741 51.379,742 112.02,743 32.308,745 423.76,746 143.173,747 175.797,748 6.046,749 423.76,750 37.517,751 135.358,753 140.049,754 423.76,755 143.173,756 175.797,757 0.584,758 0.328,759 0.171,760 0.097,761 26,762 13,763 0.127,764 10,765 1,766 1.091,767 4.864,768 368.25,769 0.091,770 22,771 194.131,773 1,774 29.07,775 12.954,776 7.815,777 1.91,778 143.173,779 16.09,780 4.551,783 2.538,784 42.806,785 742.73,786 54.5,788 -3.79,789 37.77,790 1.99,792 1.054,793 76.04,794 85.52,795 0.25,796 0.593,797 0.81,798 0.873,799 0.877,800 0.877,801 5.269,802 2.08,803 6.159,804 6.276,805 4.779,806 5.293,807 3.429,808 6.978,809 4.681,810 6.488,811 1.836,812 7.731,813 5.943,814 4.511,815 5.316,816 1.494,817 8.078,818 4.3,819 7.818,820 1.675,821 9.412,822 4.957,823 6.422,824 7.556,825 5.197,826 11.1,827 6.19,828 9.189,829 1.4,830 11.16,831 4.509,832 6.938,833 8.414,834 3.07,835 13.056,836 6.564,837 10.597,838 1.262,839 12.955,840 3.177,841 8.374,842 10.202,843 7.249,844 15.685,845 7.97,846 12.033,847 1.114,848 14.786,849 3.091,850 9.25,851 11.436,852 4.605,853 17.984,854 8.698,855 13.493,856 1,857 16.644,858 2.783,859 10.512,860 13.061,861 9.374,862 20.513,863 9.908,864 3.399,865 1,866 18.524,867 2.275,868 11.558,869 14.463,870 6.085,871 22.943,872 10.812,873 3.073,874 12.527,875 20.422,876 2.275,877 12.762,878 16.027,879 11.523,880 25.453,881 11.94,882 2.794,883 10.315,884 22.335,885 4.701,886 13.888,887 17.502,888 7.53,889 27.934,890 12.932,891 2.613,892 8.652,893 24.261,894 4.469,895 15.078,896 19.045,897 13.68,898 30.444,899 14.028,900 2.493,901 7.427,902 26.197,903 3.442,904 16.242,905 20.551,906 8.954,907 32.947,908 15.065,909 2.255,910 7.063,911 28.141,912 3.214,913 17.433,914 22.087,915 15.841,916 35.462,917 16.149,918 2.161,919 6.43,920 30.092,921 3.008,922 18.617,923 23.607,924 10.364,925 37.975,926 17.21,927 25407,928 40291,929 27.334,930 49.881,931 62.962,932 68.207,933 64.572,934 62.502,935 62.226,936 79.521,937 16.336,938 179.684,939 59.468,940 5.854,941 7.253,942 6.993,943 5.387,944 5.399,945 7.701,946 5.9,947 19.918,948 5.024,949 23.139,950 1.499,951 1.624,952 1.537,953 1.488,954 1.482,955 1.893,956 0.389,957 4.278,958 1.416,959 4.123,960 4.128,961 4.743,962 4.116,963 7.714,964 4.042,965 4.057,966 4.055,967 4.043,968 4.009,969 7.455,970 3.984,971 3.899,972 3.948,973 3.804,974 3.78,975 6.999,976 3.776,977 3.727,978 3.766,979 3.72,980 3.618,981 6.464,982 3.589,983 3.626,984 3.664,985 3.542,986 3.517,987 4.993,988 3.487,989 3.534,990 3.582,991 3.429,992 3.442,993 4.805,994 3.431,995 3.477,996 3.489,997 3.404,998 3.232,999 4.46,1000 3.242,1001 3.263,1002 3.318,1003 3.139,1004 3.091,1005 4.404,1006 3.087,1007 0.116,1008 0.125,1009 0.174,1010 0.102,1011 0.081,1012 4.854,1013 0.112,1014 5.253,1015 0.07,1016 7.311,1017 0.298,1018 4.265,1019 0.072,1020 3.399,1021 4.701,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.41,1030 2.134,1031 1.983,1032 1.997,1033 2.072,1034 2.064,1035 1.303,1036 2.095,1037 1.875,1038 1.827,1039 1.975,1040 2.011,1041 1.27,1042 2.036,1043 1.7,1044 1.652,1045 1.935,1046 1.867,1047 1.183,1048 1.887,1049 1.592,1050 1.566,1051 1.75,1052 1.767,1053 0.998,1054 1.787,1055 1.541,1056 1.498,1057 1.728,1058 1.677,1059 0.832,1060 1.702,1061 1.318,1062 1.297,1063 1.542,1064 1.573,1065 0.825,1066 1.566,1067 1.232,1068 1.179,1069 1.513,1070 1.453,1071 0.699,1072 1.471,1073 4.443,1074 5.771,1076 7.286,1078 8.884,1080 10.528,1081 6.303,1082 10.168,1083 4.258,1085 5.962,1087 -0.383,1088 2.829,1091 46.781,1092 118.521,1093 281.408,1094 384.539,1095 414.578,1096 416.578,1097 416.578,1098 108.106,1099 8.164,1100 100.04,1101 108.42,1102 24,1103 12.778,1104 4.459,1105 3.755,1106 70.704,1107 221,1108 224,1109 0.151,1110 291.188,1111 514.48,1112 702.259,1113 48299,1114 27.993,1115 0.718,1116 0.605,1117 28.243,1118 23.602,1119 18.64,1120 0.444,1121 0.356,1122 13.282,1123 17.2,1124 12.696,1125 10.582,1126 19.461,1127 14.949,1128 17.43,1129 0.295,1130 0.213,1131 18.731,1132 12.588,1133 13.525,1134 0.185,1135 0.119,1136 14.616,1137 8.666,1138 10.959,1139 0.119,1140 0.07,1141 11.996,1142 6.438,1143 8.966,1144 0.077,1145 0.04,1146 9.942,1147 4.632,1148 0.245,1149 124.925,1150 0.191,1151 35.866,1152 0.392,1153 202,1154 588.888,1155 255.714,1156 585.19,1157 780.16,1158 540,1159 233,1160 534.107,1161 295.032,1162 574.585,1163 826.54,1164 535,1165 5.398} {0 CHEMBL319782,1 1.623,2 14.086,3 2.835,4 8.039,5 130.023,6 7.883,7 0.447,8 4.237,9 4.327,10 3.959,11 3.825,12 5.348,13 3.78,14 4.8,15 4.94,16 4.263,17 4.227,18 6,19 4.168,20 5.123,21 5.3,22 4.38,23 4.4,24 6.286,25 4.317,26 5.227,27 5.424,28 4.376,29 4.41,30 6.333,31 4.307,32 5.244,33 5.45,34 4.381,35 4.376,36 6.464,37 4.28,38 5.207,39 5.411,40 4.268,41 4.291,42 6.548,43 4.21,44 5.002,45 5.188,46 4.135,47 4.199,48 6.275,49 4.12,50 4.91,51 5.108,52 3.981,53 4.099,54 6.278,55 3.988,56 0.158,57 0.876,58 14.729,59 6.766,60 25.245,61 7.672,62 0.391,63 1.454,64 26.597,65 11.305,66 70.258,67 13.425,68 0.688,69 1.909,70 40.875,71 14.983,72 126.189,73 17.959,74 0.859,75 2.03,76 48.01,77 16.754,78 137.966,79 19.956,80 1.035,81 2.018,82 52.96,83 17.274,84 183.556,85 20.494,86 1.356,87 1.838,88 48.995,89 15.86,90 227.264,91 18.772,92 0.773,93 1.569,94 36.892,95 13.134,96 138.464,97 15.631,98 0.794,99 1.438,100 31.384,101 12.018,102 158.164,103 15.183,104 39,105 54,106 0.258,107 0.598,108 0.785,109 0.847,110 0.852,111 0.852,112 3.588,113 1.04,114 -3.48,115 -3.46,116 -3.3,117 41.3,118 1,119 4,120 1,123 2,124 1,133 9,134 2,135 2,136 2,139 1,140 1,144 1,147 12,149 2,150 10,154 13,157 15,158 1,160 1,161 10,163 2,164 12,166 2,167 7,169 1,170 11,171 2,173 2,174 11,176 5,177 9,181 2,182 13,185 4,187 1,188 2,189 16,191 4,192 7,197 12,200 8,201 1,204 2,206 2239,207 23.272,208 23.272,209 23.272,210 23.272,211 23.272,212 20.742,213 23.307,214 13.528,215 23.79,216 18.669,217 18.669,218 18.669,219 18.669,220 18.669,221 14.658,222 21.631,223 6.336,224 19.456,225 4.354,226 2.21,227 1.036,228 0.647,229 0.615,230 0.615,231 4.279,233 1058,234 4.472,236 480.395,238 186.779,239 2.25,240 57.822,241 1,242 0.83,243 1,244 0.8,245 0.5,246 1,247 1,248 0.88,249 77,250 493,251 4.855,252 5.252,253 7.317,254 4.278,255 3.408,256 4.701,257 2.95,258 12.561,259 3.025,260 4.529,261 4.152,262 6.531,263 4.057,264 3.073,265 4.469,266 2.178,267 10.315,268 2.981,269 3.986,270 3.628,271 6.425,272 3.89,273 2.921,274 3.441,275 1.971,276 9.806,277 2.786,278 3.879,279 3.203,280 5.39,281 3.451,282 2.503,283 3.019,284 1.151,285 7.07,286 2.441,287 3.634,288 2.947,289 5.207,290 3.401,291 2.389,292 3.007,293 0.466,294 6.361,295 2.325,296 3.573,297 2.784,298 5.191,299 3.143,300 2.161,301 2.855,303 6.274,304 2.123,305 3.475,306 2.655,307 5.016,308 3.048,309 2.08,310 2.773,312 5.943,313 2.005,314 3.117,315 2.471,316 4.844,317 2.902,318 1.897,319 2.33,320 5.257,321 1.891,322 3.073,323 2.341,324 4.816,325 2.615,326 1.665,327 2.084,328 4.957,329 1.565,330 2.889,331 2.243,332 3.868,333 2.393,334 1.4,335 2.077,336 3.099,337 1.389,338 2.513,339 1.48,340 3.784,341 2.1,342 1.122,343 1.518,344 2.791,345 1.093,346 2.5,347 1.417,348 3.604,349 2,350 1,351 1.5,352 2.402,353 1,354 2.304,355 1.352,356 3.414,357 2,358 1,359 1.121,360 2.275,361 1,362 2,363 1.147,364 3.414,365 1.969,366 0.95,367 1,368 2.275,369 0.958,370 1.842,371 1.04,372 3.218,373 1.488,374 0.578,375 0.709,376 1.4,377 0.52,378 16.633,379 0.475,380 0.995,381 0.028,382 44.25,383 1.264,384 22.5,385 0.643,386 21.75,387 0.621,388 32.814,389 0.938,390 38.567,391 0.612,392 37.742,393 1.078,394 8.411,395 0.24,396 8.353,397 0.239,398 0.13,399 0.05,400 0.295,401 0.56,402 1.19,403 0.815,404 1.159,405 0.619,406 0.972,407 0.727,408 1.147,409 0.947,410 1.093,411 0.584,412 1.01,413 1.019,414 1.096,415 1.101,416 1.092,417 0.923,418 1.054,419 1.124,420 1.056,421 1.133,422 1.086,423 1.114,424 1.063,425 1.065,426 1.014,427 1.168,428 1.139,429 1.079,430 1.003,431 1.295,432 0.82,433 1.089,434 0.872,435 1.342,436 0.883,437 1.229,438 0.957,439 1.051,440 0.977,441 1.317,442 1.002,443 0.83,444 1.002,445 0.926,446 0.982,447 0.886,448 1.116,449 8.5,450 0.219,451 4.889,452 2.5,453 2.391,454 1.611,455 0.874,456 0.516,457 0.413,458 0.326,459 19160,460 56322,461 2.034,462 44.4,463 4,464 14,466 1,467 1,468 7,469 1,471 1.764,472 1.883,473 3.694,474 -0.345,477 102.241,478 1.623,479 3.767,480 4.941,481 5.33,482 5.362,483 5.362,484 3.182,485 4.651,486 5.103,487 3.947,488 2348.33,489 8.942,490 38020.3,493 376.569,494 1.592,495 5.043,496 0.224,497 0.008,498 0.091,499 0.044,500 0.045,501 0.03,502 0.017,503 0.011,504 0.011,505 0.011,506 0.493,507 0.33,508 0.88,509 0.876,510 191.621,511 0.082,512 -0.016,513 0.163,514 0.01,515 -0.061,516 0.037,517 0.05,518 -0.047,519 -0.005,520 -0.031,521 0.098,522 -0.021,523 -0.082,524 -0.049,525 -0.087,526 -0.057,527 -0.032,528 -0.074,529 -0.097,530 -0.051,531 -0.069,532 -0.056,533 -0.118,534 -0.082,535 0.016,536 -0.025,537 -0.017,538 -0.072,539 -0.004,540 -0.011,541 0.011,542 0.11,543 -0.029,544 0.108,545 -0.006,546 0.078,547 -0.121,548 0.007,549 -0.091,550 -0.001,551 -0.118,552 -0.03,553 0.126,554 -0.049,555 -0.056,556 -0.052,557 0.148,558 -0.133,559 4.722,560 6.076,561 0.629,562 40.258,563 1.012,564 1.12,565 2.252,566 5.073,567 0.671,568 3.664,569 4.007,570 4.248,571 4.477,572 4.727,573 4.745,574 4.779,575 4.82,576 4.913,577 4.92,578 8.357,579 0.641,580 496.63,581 3.664,582 5.22,583 6.066,584 6.95,585 7.815,586 8.701,587 9.572,588 10.458,589 11.332,590 12.219,591 3.2,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 63,609 21,610 2,611 38,612 66,613 26,614 15,615 4,616 8,618 4,619 5,621 1,623 4,624 1,625 5,627 17,628 9,629 1,630 4,632 1,633 4,634 1,636 1,639 28,640 8,641 1,642 9,643 1,644 2,646 0.75,647 6,648 1,651 4,653 1,656 1,663 1,665 1,667 3,669 1,670 1,671 35,672 1,674 1,675 6,677 1,679 2,680 1,684 9.5,685 1,687 4,689 1,690 18.583,691 11.35,692 7.653,693 3.759,694 3.527,695 1.445,696 0.952,697 7.733,698 11.462,699 3.942,700 4.543,701 5.045,702 5.572,703 6.122,704 6.36,705 6.64,706 6.907,707 7.304,708 7.406,709 1,710 57,711 13.362,712 6.157,713 8.036,714 24.615,715 20.889,716 2.536,717 88.75,719 317.82,720 149.37,721 16.786,722 148.408,723 6.046,724 143.324,725 466.228,726 16.786,727 8.825,728 15.63,729 134.138,730 139.288,731 28.453,733 306.049,734 317.82,735 160.11,736 148.408,737 6.046,738 306.049,739 117.374,740 42.806,741 29.356,742 113.968,743 22.831,745 317.82,746 165.194,747 149.37,748 6.046,749 317.82,750 38.217,751 105.107,753 165.194,754 317.82,755 165.194,756 149.37,757 0.588,758 0.341,759 0.177,760 0.104,761 25,762 12,763 0.121,764 8,765 1,766 1.091,767 4.5,768 325.29,769 0.091,770 22,771 169.525,773 1,774 25.154,775 10.76,776 6.007,777 1.883,778 165.194,779 15.881,780 4.527,783 2.456,784 42.806,785 632.384,786 50.5,788 -3.805,789 48.913,790 0.22,792 0.115,793 63.731,794 70.571,795 0.272,796 0.63,797 0.827,798 0.892,799 0.897,800 0.897,801 5.194,802 1.897,803 6.084,804 5.943,805 4.691,806 5.231,807 3.58,808 6.927,809 4.61,810 6.421,811 1.665,812 7.673,813 5.257,814 4.443,815 5.286,816 2.373,817 8.078,818 4.256,819 7.76,820 1.4,821 9.371,822 4.957,823 6.358,824 7.516,825 5.327,826 11.115,827 6.156,828 9.139,829 1.122,830 11.139,831 3.099,832 6.909,833 8.398,834 4.114,835 13.105,836 6.573,837 10.556,838 1,839 12.952,840 2.791,841 8.345,842 10.178,843 7.325,844 15.744,845 7.983,846 12,847 1,848 14.799,849 2.402,850 9.25,851 11.425,852 5.72,853 18.052,854 8.749,855 13.466,856 0.95,857 16.671,858 2.275,859 10.515,860 13.048,861 9.416,862 20.584,863 9.965,864 3.408,865 0.578,866 18.563,867 2.275,868 11.581,869 14.456,870 7.277,871 23.014,872 10.898,873 3.073,874 12.561,875 20.471,876 1.4,877 12.789,878 16.021,879 11.545,880 25.521,881 12.035,882 2.921,883 10.315,884 22.391,885 4.701,886 13.926,887 17.498,888 8.813,889 28,890 13.048,891 2.503,892 9.806,893 24.321,894 4.469,895 15.12,896 19.041,897 13.692,898 30.507,899 14.153,900 2.389,901 7.07,902 26.259,903 3.441,904 16.291,905 20.549,906 10.341,907 33.007,908 15.204,909 2.161,910 6.361,911 28.205,912 3.019,913 17.484,914 22.085,915 15.847,916 35.52,917 16.298,918 2.08,919 6.274,920 30.156,921 3.007,922 18.672,923 23.606,924 11.868,925 38.032,926 17.369,927 18285,928 31521,929 24.849,930 42.284,931 57.088,932 63.068,933 59.147,934 56.824,935 56.611,936 73.65,937 17.431,938 166.005,939 54.549,940 5.855,941 7.252,942 6.999,943 5.401,944 5.408,945 7.701,946 5.9,947 19.978,948 5.025,949 19.618,950 1.502,951 1.66,952 1.557,953 1.495,954 1.49,955 1.938,956 0.459,957 4.369,958 1.436,959 4.123,960 4.127,961 4.743,962 4.117,963 7.714,964 4.042,965 4.058,966 4.058,967 4.042,968 4.009,969 7.455,970 3.985,971 3.885,972 3.919,973 3.789,974 3.774,975 7.426,976 3.769,977 3.684,978 3.689,979 3.716,980 3.593,981 6.999,982 3.549,983 3.534,984 3.581,985 3.454,986 3.443,987 6.464,988 3.432,989 3.474,990 3.48,991 3.427,992 3.219,993 4.992,994 3.238,995 3.263,996 3.318,997 3.139,998 3.091,999 4.805,1000 3.087,1001 3.151,1002 3.206,1003 3.062,1004 2.941,1005 4.404,1006 2.93,1007 0.128,1008 0.138,1009 0.193,1010 0.113,1011 0.09,1012 4.855,1013 0.124,1014 5.252,1015 0.078,1016 7.317,1017 0.331,1018 4.278,1019 0.08,1020 3.408,1021 4.701,1022 2.95,1023 12.561,1024 3.025,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.501,1030 2.135,1031 1.988,1032 2,1033 2.081,1034 2.071,1035 1.274,1036 2.105,1037 1.87,1038 1.832,1039 1.968,1040 1.988,1041 1.246,1042 2.011,1043 1.596,1044 1.592,1045 1.749,1046 1.772,1047 0.978,1048 1.777,1049 1.54,1050 1.498,1051 1.686,1052 1.676,1053 0.832,1054 1.701,1055 1.303,1056 1.286,1057 1.541,1058 1.572,1059 0.825,1060 1.557,1061 1.228,1062 1.178,1063 1.513,1064 1.452,1065 0.698,1066 1.471,1067 1.153,1068 1.064,1069 1.293,1070 1.376,1071 0.608,1072 1.429,1073 4.344,1074 5.68,1076 7.212,1078 8.829,1080 10.491,1081 1.923,1082 10.055,1083 1.416,1085 5.916,1087 -1.177,1088 0.427,1091 40.367,1092 102.241,1093 237.333,1094 311.284,1095 335.814,1096 337.814,1097 337.814,1098 104.651,1099 7.934,1100 113.87,1101 122.25,1102 24,1103 12.753,1104 4.459,1105 3.755,1106 59.756,1107 179,1108 158,1109 0.161,1110 250.021,1111 443.07,1112 601.811,1113 34765,1114 25.001,1115 0.714,1116 0.579,1117 25.251,1118 20.278,1119 16.763,1120 0.441,1121 0.347,1122 11.52,1123 15.357,1124 11.1,1125 9.147,1126 17.584,1127 13.169,1128 15.602,1129 0.289,1130 0.203,1131 16.903,1132 10.945,1133 12.684,1134 0.184,1135 0.12,1136 13.762,1137 8.248,1138 10.092,1139 0.116,1140 0.071,1141 11.137,1142 6.211,1143 8.52,1144 0.076,1145 0.042,1146 9.593,1147 4.682,1148 0.26,1149 113.628,1150 0.201,1151 32.573,1152 0.426,1153 184,1154 592.978,1155 237.736,1156 583.157,1157 767.81,1158 536,1159 215,1160 517.63,1161 276.195,1162 553.726,1163 795.89,1164 517,1165 6.222} {0 CHEMBL328199,1 1.573,2 14.086,3 4.454,4 19.837,5 133.708,6 7.61,7 0.447,8 4.259,9 4.355,10 3.956,11 3.853,12 5.345,13 3.798,14 4.817,15 4.965,16 4.256,17 4.255,18 5.981,19 4.185,20 5.134,21 5.317,22 4.375,23 4.442,24 6.244,25 4.343,26 5.275,27 5.489,28 4.376,29 4.458,30 6.32,31 4.336,32 5.287,33 5.507,34 4.379,35 4.409,36 6.466,37 4.3,38 5.222,39 5.431,40 4.26,41 4.32,42 6.529,43 4.228,44 5.029,45 5.228,46 4.113,47 4.252,48 6.207,49 4.153,50 4.965,51 5.177,52 3.965,53 4.173,54 6.122,55 4.04,56 0.133,57 0.898,58 15.97,59 7.002,60 24.387,61 8.233,62 0.324,63 1.488,64 28.089,65 11.66,66 62.837,67 14.252,68 0.49,69 1.97,70 41.582,71 15.569,72 102.094,73 19.324,74 0.674,75 2.152,76 51.003,77 17.968,78 115.025,79 22.246,80 0.916,81 2.111,82 55.712,83 18.194,84 168.71,85 22.124,86 1.164,87 1.89,88 49.572,89 16.28,90 208.887,91 19.612,92 0.524,93 1.655,94 37.545,95 13.752,96 103.456,97 16.891,98 0.432,99 1.559,100 35.328,101 13.41,102 95.354,103 16.938,104 39,105 54,106 0.248,107 0.594,108 0.788,109 0.847,110 0.852,111 0.852,112 3.588,113 1.051,114 -4.43,115 -4.36,116 -4.11,117 41.5,118 1,119 4,120 1,123 2,124 1,126 1,128 1,133 9,134 2,135 2,136 2,140 1,144 1,147 15,149 2,150 8,154 17,157 13,158 1,160 1,161 13,163 2,164 11,166 2,167 8,169 1,170 12,171 2,173 2,174 11,176 4,177 10,181 3,182 13,185 7,188 3,189 16,191 1,192 10,197 14,200 6,201 1,204 6,206 2239,207 23.272,208 23.272,209 23.272,210 23.272,211 23.272,212 20.742,213 24.592,214 13.528,215 23.827,216 18.669,217 18.669,218 18.669,219 18.669,220 18.669,221 14.658,222 25.439,223 6.336,224 19.528,225 4.449,226 2.262,227 1.035,228 0.658,229 0.627,230 0.627,231 4.279,233 1058,234 4.472,236 480.395,238 186.779,239 2.25,240 51.161,241 1,242 0.83,243 1,244 0.8,245 0.5,246 1,247 1,248 0.88,249 76,250 493,251 4.855,252 5.252,253 7.317,254 4.278,255 3.408,256 4.701,257 2.95,258 12.561,259 3.025,260 4.529,261 4.151,262 6.531,263 4.057,264 3.073,265 4.469,266 1.971,267 10.315,268 2.979,269 3.986,270 3.203,271 6.425,272 3.888,273 2.921,274 3.441,275 1.151,276 9.806,277 2.78,278 3.879,279 2.973,280 5.39,281 3.446,282 2.503,283 3.019,284 0.68,285 7.07,286 2.375,287 3.634,288 2.875,289 5.207,290 3.373,291 2.389,292 3.007,293 0.466,294 6.361,295 2.315,296 3.573,297 2.748,298 5.191,299 3.143,300 2.161,301 2.855,303 6.274,304 2.123,305 3.475,306 2.654,307 5.016,308 3.048,309 2.08,310 2.773,312 5.943,313 2.005,314 3.117,315 2.376,316 4.844,317 2.885,318 1.897,319 2.33,320 5.257,321 1.867,322 3.073,323 2.338,324 4.816,325 2.615,326 1.665,327 2.084,328 4.957,329 1.565,330 2.889,331 2.24,332 3.868,333 2.393,334 1.4,335 2.077,336 3.099,337 1.389,338 2.513,339 1.454,340 3.784,341 2.1,342 1.122,343 1.518,344 2.791,345 1.093,346 2.5,347 1.411,348 3.604,349 2,350 1,351 1.5,352 2.402,353 1,354 2.304,355 1.244,356 3.414,357 2,358 1,359 1.121,360 2.275,361 1,362 2,363 1.147,364 3.414,365 1.962,366 0.95,367 1,368 2.275,369 0.952,370 1.842,371 1,372 3.218,373 1.488,374 0.578,375 0.709,376 1.4,377 0.52,378 16.8,379 0.48,380 0.995,381 0.028,382 43.5,383 1.243,384 22,385 0.629,386 21.5,387 0.614,388 33.631,389 0.961,390 38.4,391 0.591,392 36.926,393 1.055,394 8.226,395 0.235,396 8.538,397 0.244,398 0.139,399 0.05,400 0.292,401 0.568,402 1.185,403 0.842,404 1.155,405 0.67,406 0.983,407 0.751,408 1.121,409 0.96,410 1.069,411 0.584,412 0.996,413 0.948,414 1.138,415 1.096,416 1.133,417 0.828,418 1.088,419 1.071,420 1.059,421 1.084,422 1.084,423 1.078,424 1.049,425 1.124,426 0.983,427 1.134,428 1.097,429 1.179,430 0.96,431 1.418,432 0.843,433 1.091,434 0.876,435 1.495,436 0.878,437 1.305,438 0.952,439 1.065,440 0.955,441 1.368,442 0.998,443 0.989,444 1.061,445 1.068,446 1.09,447 1.03,448 1.129,449 8.5,450 0.219,451 4.889,452 2.5,453 2.391,454 1.611,455 0.874,456 0.516,457 0.413,458 0.326,459 19160,460 51450,461 2.034,462 46.2,463 8,464 16,466 1,467 1,468 3,469 1,471 1.764,472 1.883,473 3.694,474 -0.373,477 102.256,478 1.573,479 3.76,480 4.987,481 5.365,482 5.395,483 5.395,484 3.182,485 4.651,486 5.103,487 3.947,488 2348.33,489 8.942,490 38020.3,493 391.454,494 1.592,495 5.043,496 0.224,497 0.008,498 0.091,499 0.044,500 0.045,501 0.03,502 0.017,503 0.011,504 0.011,505 0.011,506 0.493,507 0.17,508 0.88,509 0.876,510 191.621,511 0.107,512 -0.015,513 0.17,514 0.01,515 -0.083,516 0.036,517 0.071,518 -0.023,519 0.006,520 -0.008,521 0.128,522 -0.003,523 -0.035,524 -0.083,525 -0.082,526 -0.094,527 0.012,528 -0.102,529 -0.041,530 -0.061,531 -0.024,532 -0.061,533 -0.081,534 -0.064,535 0.053,536 -0.002,537 0.021,538 -0.042,539 0.028,540 0.023,541 0.02,542 0.092,543 -0.027,544 0.103,545 0.025,546 0.074,547 -0.186,548 0.027,549 -0.107,550 0.018,551 -0.147,552 -0.028,553 -0.065,554 -0.093,555 -0.114,556 -0.102,557 -0.038,558 -0.133,559 4.659,560 6.125,561 0.629,562 40.258,563 1.004,564 1.12,565 3.202,566 10.251,567 0.671,568 3.664,569 4.007,570 4.248,571 4.477,572 4.727,573 4.745,574 4.779,575 4.82,576 4.913,577 4.92,578 8.357,579 0.634,580 494.66,581 3.664,582 5.22,583 6.066,584 6.95,585 7.815,586 8.701,587 9.572,588 10.458,589 11.332,590 12.219,591 3.1,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 65,609 21,610 2,611 38,612 68,613 27,614 15,615 4,616 8,618 4,619 5,621 1,623 4,624 1,625 5,627 18,628 9,629 1,630 4,631 1,632 1,633 3,634 1,636 1,639 30,640 7,641 1,642 8,643 1,644 2,646 0.75,647 5,648 1,651 4,653 1,660 1,662 1,663 1,665 1,667 3,669 1,670 1,671 35,672 1,674 1,675 6,677 1,679 2,680 1,684 7.7,685 1,687 3,689 1,690 18.583,691 11.683,692 7.653,693 3.843,694 3.527,695 1.445,696 0.955,697 7.782,698 11.462,699 3.942,700 4.543,701 5.045,702 5.572,703 6.122,704 6.36,705 6.64,706 6.907,707 7.304,708 7.406,709 1,710 57,711 13.317,712 6.061,713 7.921,714 24.814,715 21.043,716 2.421,717 84.75,719 341.362,720 163.189,721 16.786,722 123.263,723 6.046,724 157.143,725 464.625,726 16.786,727 8.825,728 31.397,729 134.138,730 109.01,731 31.639,733 329.591,734 341.362,735 173.929,736 123.263,737 6.046,738 329.591,739 92.229,740 42.806,741 29.356,742 127.787,743 22.831,745 341.362,746 140.049,747 163.189,748 6.046,749 341.362,750 36.269,751 105.107,753 155.816,754 341.362,755 140.049,756 163.189,757 0.588,758 0.341,759 0.177,760 0.104,761 25,762 12,763 0.118,764 8,765 1,766 1.091,767 4.5,768 325.29,769 0.091,770 22,771 169.525,773 1,774 25.217,775 10.802,776 6.035,777 1.913,778 140.049,779 16.093,780 4.54,783 2.564,784 42.806,785 644.6,786 50.5,787 3.978,788 -3.743,789 37.506,790 0.283,792 1.115,793 65.287,794 72.776,795 0.261,796 0.624,797 0.828,798 0.891,799 0.896,800 0.896,801 5.194,802 1.897,803 6.084,804 5.943,805 4.691,806 5.231,807 3.379,808 6.927,809 4.602,810 6.421,811 1.665,812 7.673,813 5.257,814 4.443,815 5.286,816 1.404,817 8.078,818 4.239,819 7.76,820 1.4,821 9.371,822 4.957,823 6.358,824 7.516,825 5.185,826 11.115,827 6.142,828 9.139,829 1.122,830 11.139,831 3.099,832 6.909,833 8.398,834 2.988,835 13.105,836 6.552,837 10.556,838 1,839 12.952,840 2.791,841 8.345,842 10.178,843 7.244,844 15.744,845 7.965,846 12,847 1,848 14.799,849 2.402,850 9.25,851 11.425,852 4.492,853 18.052,854 8.728,855 13.466,856 0.95,857 16.671,858 2.275,859 10.515,860 13.048,861 9.372,862 20.584,863 9.946,864 3.408,865 0.578,866 18.563,867 2.275,868 11.581,869 14.456,870 5.941,871 23.014,872 10.878,873 3.073,874 12.561,875 20.471,876 1.4,877 12.789,878 16.021,879 11.521,880 25.521,881 12.016,882 2.921,883 10.315,884 22.391,885 4.701,886 13.926,887 17.498,888 7.356,889 28,890 13.029,891 2.503,892 9.806,893 24.321,894 4.469,895 15.12,896 19.041,897 13.679,898 30.507,899 14.135,900 2.389,901 7.07,902 26.259,903 3.441,904 16.291,905 20.549,906 8.749,907 33.007,908 15.187,909 2.161,910 6.361,911 28.205,912 3.019,913 17.484,914 22.085,915 15.84,916 35.52,917 16.282,918 2.08,919 6.274,920 30.156,921 3.007,922 18.672,923 23.606,924 10.13,925 38.032,926 17.353,927 18285,928 30157,929 24.849,930 43.591,931 57.088,932 62.582,933 59.147,934 56.868,935 56.611,936 73.65,937 14.435,938 166.005,939 54.32,940 5.855,941 7.252,942 6.999,943 5.401,944 5.408,945 7.701,946 5.9,947 19.978,948 5.025,949 19.618,950 1.502,951 1.647,952 1.557,953 1.497,954 1.49,955 1.938,956 0.38,957 4.369,958 1.429,959 4.124,960 4.128,961 4.743,962 4.117,963 7.714,964 4.042,965 4.058,966 4.059,967 4.042,968 4.009,969 7.455,970 3.985,971 3.892,972 3.93,973 3.79,974 3.804,975 6.999,976 3.791,977 3.69,978 3.701,979 3.717,980 3.604,981 6.464,982 3.562,983 3.536,984 3.582,985 3.46,986 3.443,987 4.993,988 3.434,989 3.482,990 3.49,991 3.428,992 3.283,993 4.805,994 3.276,995 3.263,996 3.318,997 3.14,998 3.092,999 4.678,1000 3.087,1001 3.219,1002 3.269,1003 3.094,1004 2.982,1005 4.404,1006 3.013,1007 0.128,1008 0.138,1009 0.193,1010 0.113,1011 0.09,1012 4.855,1013 0.124,1014 5.252,1015 0.078,1016 7.317,1017 0.331,1018 4.278,1019 0.08,1020 3.408,1021 4.701,1022 2.95,1023 12.561,1024 3.025,1025 2.05,1026 2.031,1027 2.127,1028 2.133,1029 1.51,1030 2.135,1031 1.991,1032 2,1033 2.105,1034 2.073,1035 1.275,1036 2.108,1037 1.892,1038 1.853,1039 1.97,1040 1.992,1041 1.254,1042 2.021,1043 1.617,1044 1.606,1045 1.75,1046 1.782,1047 0.992,1048 1.791,1049 1.543,1050 1.499,1051 1.73,1052 1.677,1053 0.832,1054 1.702,1055 1.34,1056 1.327,1057 1.542,1058 1.573,1059 0.825,1060 1.569,1061 1.238,1062 1.181,1063 1.513,1064 1.454,1065 0.705,1066 1.472,1067 1.153,1068 1.1,1069 1.443,1070 1.401,1071 0.656,1072 1.429,1073 4.344,1074 5.68,1076 7.212,1078 8.829,1080 10.491,1081 1.935,1082 10.117,1083 2.907,1085 5.939,1087 -0.906,1088 0.509,1091 41.179,1092 102.256,1093 244.418,1094 324.17,1095 348.699,1096 350.699,1097 350.699,1098 96.452,1099 7.934,1100 96.8,1101 105.18,1102 24,1103 12.753,1104 4.459,1105 3.755,1106 59.756,1107 179,1108 158,1109 0.161,1110 255.617,1111 451.58,1112 615.465,1113 34765,1114 25.001,1115 0.714,1116 0.588,1117 25.251,1118 20.577,1119 16.763,1120 0.441,1121 0.35,1122 11.683,1123 15.428,1124 11.226,1125 9.295,1126 17.584,1127 13.319,1128 15.602,1129 0.289,1130 0.207,1131 16.903,1132 11.156,1133 12.684,1134 0.184,1135 0.122,1136 13.762,1137 8.397,1138 10.092,1139 0.116,1140 0.072,1141 11.137,1142 6.297,1143 8.52,1144 0.076,1145 0.043,1146 9.593,1147 4.793,1148 0.26,1149 113.051,1150 0.201,1151 32.573,1152 0.426,1153 184,1154 549.242,1155 235.632,1156 547.828,1157 728.77,1158 504,1159 215,1160 497.994,1161 274.534,1162 537.525,1163 772.85,1164 501,1165 5.699} {0 CHEMBL328645,1 1.663,2 14.722,3 2.922,4 8.54,5 133.431,6 7.872,7 0.436,8 4.274,9 4.367,10 3.987,11 3.839,12 5.427,13 3.797,14 4.817,15 4.961,16 4.278,17 4.242,18 6.002,19 4.183,20 5.139,21 5.321,22 4.41,23 4.423,24 6.27,25 4.341,26 5.272,27 5.472,28 4.414,29 4.443,30 6.374,31 4.344,32 5.303,33 5.514,34 4.403,35 4.41,36 6.509,37 4.312,38 5.243,39 5.454,40 4.285,41 4.317,42 6.55,43 4.232,44 5.035,45 5.228,46 4.17,47 4.23,48 6.247,49 4.151,50 4.973,51 5.175,52 4.091,53 4.148,54 6.222,55 4.045,56 0.229,57 0.928,58 15.445,59 6.851,60 32.563,61 7.829,62 0.413,63 1.512,64 27.051,65 11.327,66 68.448,67 13.646,68 0.665,69 1.981,70 41.082,71 14.888,72 111.637,73 18.353,74 0.933,75 2.114,76 50.007,77 16.996,78 138.075,79 20.55,80 1.159,81 2.089,82 56.298,83 17.865,84 195.763,85 21.529,86 1.387,87 1.891,88 50.883,89 16.164,90 228.892,91 19.586,92 0.781,93 1.652,94 37.708,95 13.038,96 116.298,97 16.118,98 0.808,99 1.551,100 34.467,101 12.354,102 118.271,103 15.742,104 42,105 55,106 0.263,107 0.613,108 0.793,109 0.852,110 0.857,111 0.857,112 3.615,113 1.03,114 -3.56,115 -3.53,116 -3.37,117 40,118 1,119 4,120 1,123 2,124 1,133 9,134 2,135 2,136 2,139 1,140 1,144 2,147 12,149 2,150 10,154 13,157 15,158 1,160 3,161 10,163 2,164 12,166 4,167 7,169 1,170 11,171 2,173 3,174 11,176 5,177 9,181 2,182 13,185 4,187 2,188 2,189 16,191 4,192 7,195 1,197 12,200 8,201 4,204 2,206 2480,207 24.143,208 24.143,209 24.143,210 24.143,211 24.143,212 21.32,213 24.423,214 14.026,215 24.771,216 19.096,217 19.096,218 19.096,219 19.096,220 19.096,221 14.937,222 22.748,223 6.475,224 20.024,225 4.359,226 2.142,227 1.004,228 0.627,229 0.596,230 0.596,231 4.307,233 1135,234 4.583,236 499.016,238 194.612,239 2.324,240 55.586,241 0.75,242 0.67,243 0.83,244 0.7,245 0.5,246 0.83,247 1,248 0.75,249 79.5,250 530,251 4.855,252 5.252,253 7.317,254 4.278,255 3.408,256 4.701,257 2.95,258 12.561,259 3.025,260 4.529,261 4.152,262 6.531,263 4.057,264 3.073,265 4.469,266 2.16,267 10.315,268 2.979,269 3.999,270 3.77,271 6.426,272 3.89,273 2.924,274 3.441,275 1.971,276 9.808,277 2.78,278 3.885,279 3.203,280 5.392,281 3.459,282 2.508,283 3.11,284 1.151,285 7.074,286 2.396,287 3.752,288 2.956,289 5.353,290 3.415,291 2.457,292 3.008,293 0.466,294 6.892,295 2.321,296 3.573,297 2.818,298 5.201,299 3.143,300 2.161,301 2.896,302 0.466,303 6.278,304 2.123,305 3.475,306 2.703,307 5.016,308 3.048,309 2.08,310 2.854,312 5.943,313 2.005,314 3.118,315 2.654,316 4.968,317 2.92,318 1.942,319 2.33,320 5.477,321 1.892,322 3.101,323 2.363,324 4.816,325 2.616,326 1.666,327 2.116,328 4.957,329 1.566,330 2.889,331 2.337,332 3.869,333 2.393,334 1.4,335 2.077,336 3.099,337 1.389,338 2.513,339 2.239,340 3.799,341 2.101,342 1.123,343 1.518,344 2.791,345 1.094,346 2.5,347 1.455,348 3.604,349 2,350 1,351 1.5,352 2.452,353 1,354 2.335,355 1.411,356 3.414,357 2,358 1,359 1.167,360 2.275,361 1,362 2,363 1.252,364 3.414,365 1.997,366 0.991,367 1,368 2.275,369 0.988,370 1.842,371 1.147,372 3.225,373 1.491,374 0.58,375 0.71,376 1.402,377 0.522,378 17.033,379 0.473,380 0.957,381 0.027,382 45,383 1.25,384 22.5,385 0.625,386 22.5,387 0.625,388 34.522,389 0.959,390 39.967,391 0.615,392 38.637,393 1.073,394 8.713,395 0.242,396 8.588,397 0.239,398 0.127,399 0.049,400 0.288,401 0.597,402 1.166,403 0.828,404 1.137,405 0.676,406 0.965,407 0.711,408 1.156,409 0.948,410 1.096,411 0.561,412 1.015,413 0.916,414 1.12,415 1.077,416 1.119,417 0.789,418 1.067,419 1.143,420 1.049,421 1.142,422 1.097,423 1.137,424 1.078,425 1.11,426 0.98,427 1.166,428 1.119,429 1.175,430 0.999,431 1.253,432 0.805,433 1.066,434 0.869,435 1.353,436 0.878,437 1.178,438 0.969,439 1.041,440 0.973,441 1.303,442 1.003,443 0.87,444 1.005,445 0.946,446 1.021,447 0.987,448 1.11,449 8.5,450 0.219,451 4.889,452 2.5,453 2.431,454 1.674,455 0.874,456 0.547,457 0.488,458 0.326,459 20709,460 61829,461 2.033,462 44.6,463 4,464 14,466 1,467 2,468 7,469 1,471 1.772,472 1.886,473 3.751,474 0.204,477 108.096,478 1.663,479 3.88,480 5.018,481 5.395,482 5.426,483 5.426,484 3.251,485 4.781,486 5.143,487 4.003,488 2522.19,489 9.023,490 41720.8,493 391.454,494 1.574,495 5.086,496 0.218,497 0.007,498 0.089,499 0.042,500 0.044,501 0.031,502 0.017,503 0.012,504 0.012,505 0.01,506 0.483,507 0.33,508 0.75,509 0.95,510 199.066,511 0.11,512 0.036,513 0.155,514 0.046,515 -0.051,516 0.047,517 0.042,518 -0.037,519 -0.009,520 -0.016,521 0.108,522 -0.013,523 -0.059,524 -0.052,525 -0.075,526 -0.072,527 0.003,528 -0.076,529 -0.113,530 -0.045,531 -0.086,532 -0.066,533 -0.125,534 -0.095,535 -0.009,536 -0.016,537 -0.022,538 -0.053,539 -0.021,540 -0.003,541 0.002,542 0.11,543 -0.012,544 0.114,545 -0.001,546 0.094,547 -0.124,548 0.011,549 -0.088,550 0.005,551 -0.153,552 -0.027,553 0.081,554 -0.025,555 -0.032,556 -0.068,557 0.001,558 -0.128,559 4.722,560 6.135,561 0.611,562 43.111,563 1.013,564 1.124,565 2.325,566 5.407,567 0.666,568 3.689,569 4.025,570 4.277,571 4.5,572 4.745,573 4.779,574 4.828,575 4.868,576 4.97,577 4.949,578 8.591,579 0.637,580 511.65,581 3.689,582 5.242,583 6.089,584 6.971,585 7.836,586 8.721,587 9.593,588 10.479,589 11.353,590 12.239,591 4.6,594 1,596 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 65,609 21,610 2,611 39,612 68,613 26,614 15,615 4,616 8,618 4,619 5,621 1,623 4,624 1,625 5,627 17,628 9,629 1,630 4,632 1,633 3,634 1,635 1,636 1,639 29,640 9,641 2,642 10,643 1,644 3,646 0.75,647 6,648 1,651 4,653 1,655 1,663 1,665 2,667 3,669 1,670 1,671 36,672 1,674 2,675 6,677 1,679 2,680 1,684 9.2,685 1,687 3,689 2,690 19.083,691 11.583,692 7.986,693 3.808,694 3.569,695 1.446,696 0.936,697 8.247,698 11.573,699 3.961,700 4.564,701 5.07,702 5.587,703 6.13,704 6.374,705 6.655,706 6.919,707 7.323,708 7.413,709 0.9,710 59,711 13.681,712 6.246,713 8.021,714 25.223,715 21.279,716 2.521,717 90.75,719 317.82,720 146.993,721 30.033,722 166.069,723 6.046,724 140.947,725 483.889,726 30.033,727 8.825,728 15.63,729 134.138,730 111.767,731 84.507,733 306.049,734 317.82,735 170.98,736 166.069,737 6.046,738 306.049,739 135.035,740 42.806,741 42.604,742 111.591,743 22.831,745 317.82,746 196.102,747 146.993,748 6.046,749 317.82,750 35.841,751 105.107,753 196.102,754 317.82,755 196.102,756 146.993,757 0.583,758 0.344,759 0.178,760 0.102,761 25,762 12,763 0.118,764 8,765 1,766 1.091,767 4.583,768 336.849,769 0.091,770 22,771 176.117,773 1,774 26.087,775 11.381,776 6.24,777 1.885,778 196.102,779 15.913,780 4.531,783 2.465,784 85.611,785 660.915,786 51.5,788 -3.805,789 37.536,790 0.233,791 3.228,792 0.633,793 65.832,794 73.069,795 0.276,796 0.644,797 0.833,798 0.896,799 0.901,800 0.901,801 5.211,802 1.942,803 6.103,804 5.943,805 4.71,806 5.252,807 3.626,808 6.944,809 4.616,810 6.437,811 1.666,812 7.69,813 5.477,814 4.443,815 5.286,816 1.882,817 8.095,818 4.23,819 7.776,820 1.4,821 9.388,822 4.957,823 6.375,824 7.537,825 5.368,826 11.129,827 6.152,828 9.156,829 1.123,830 11.155,831 3.099,832 6.919,833 8.407,834 3.66,835 13.116,836 6.554,837 10.573,838 1,839 12.967,840 2.791,841 8.359,842 10.193,843 7.35,844 15.751,845 7.973,846 12.017,847 1,848 14.813,849 2.452,850 9.261,851 11.433,852 5.313,853 18.058,854 8.732,855 13.483,856 0.991,857 16.684,858 2.275,859 10.527,860 13.057,861 9.428,862 20.587,863 9.952,864 3.408,865 0.58,866 18.574,867 2.275,868 11.59,869 14.461,870 6.912,871 23.016,872 10.882,873 3.073,874 12.561,875 20.48,876 1.402,877 12.797,878 16.025,879 11.55,880 25.523,881 12.021,882 2.924,883 10.315,884 22.398,885 4.701,886 13.933,887 17.501,888 8.482,889 28,890 13.033,891 2.508,892 9.808,893 24.327,894 4.469,895 15.126,896 19.044,897 13.694,898 30.507,899 14.139,900 2.457,901 7.074,902 26.264,903 3.441,904 16.295,905 20.551,906 10.037,907 33.008,908 15.19,909 2.161,910 6.892,911 28.209,912 3.11,913 17.488,914 22.086,915 15.848,916 35.52,917 16.285,918 2.08,919 6.278,920 30.159,921 3.008,922 18.675,923 23.607,924 11.584,925 38.032,926 17.356,927 19812,928 34410,929 25.542,930 43.29,931 58.333,932 65.622,933 60.496,934 58.155,935 57.872,936 75.241,937 18.327,938 169.063,939 55.415,940 5.855,941 7.252,942 6.999,943 5.401,944 5.408,945 7.701,946 5.9,947 19.978,948 5.025,949 20.035,950 1.496,951 1.683,952 1.551,953 1.491,954 1.484,955 1.929,956 0.47,957 4.335,958 1.421,959 4.123,960 4.128,961 4.743,962 4.117,963 7.714,964 4.042,965 4.058,966 4.058,967 4.042,968 4.009,969 7.455,970 3.985,971 3.884,972 3.924,973 3.79,974 3.776,975 6.999,976 3.77,977 3.686,978 3.695,979 3.717,980 3.594,981 6.543,982 3.55,983 3.535,984 3.582,985 3.46,986 3.443,987 6.464,988 3.433,989 3.477,990 3.485,991 3.428,992 3.227,993 4.992,994 3.244,995 3.263,996 3.318,997 3.14,998 3.091,999 4.805,1000 3.087,1001 3.195,1002 3.238,1003 3.107,1004 2.941,1005 4.405,1006 2.954,1007 0.124,1008 0.135,1009 0.188,1010 0.11,1011 0.087,1012 4.855,1013 0.121,1014 5.252,1015 0.076,1016 7.317,1017 0.322,1018 4.278,1019 0.078,1020 3.408,1021 4.701,1022 2.95,1023 12.561,1024 3.025,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.507,1030 2.135,1031 1.988,1032 2,1033 2.082,1034 2.071,1035 1.274,1036 2.105,1037 1.872,1038 1.83,1039 1.969,1040 1.989,1041 1.25,1042 2.012,1043 1.599,1044 1.591,1045 1.749,1046 1.776,1047 0.985,1048 1.78,1049 1.541,1050 1.498,1051 1.689,1052 1.677,1053 0.832,1054 1.701,1055 1.308,1056 1.289,1057 1.541,1058 1.573,1059 0.825,1060 1.56,1061 1.23,1062 1.178,1063 1.513,1064 1.453,1065 0.7,1066 1.471,1067 1.153,1068 1.064,1069 1.295,1070 1.381,1071 0.629,1072 1.429,1073 4.369,1074 5.7,1076 7.231,1078 8.847,1080 10.509,1081 1.924,1082 19.071,1083 1.894,1085 5.927,1087 -1.131,1088 0.446,1091 41.388,1092 108.096,1093 252.218,1094 326.17,1095 350.699,1096 352.699,1097 352.699,1098 105.26,1099 8.004,1100 129.39,1101 137.77,1102 24,1103 12.773,1104 4.459,1105 3.755,1106 62.409,1107 188,1108 184,1109 0.159,1110 256.815,1111 454.07,1112 618.389,1113 38122,1114 25.709,1115 0.714,1116 0.577,1117 25.959,1118 20.765,1119 17.301,1120 0.444,1121 0.343,1122 11.726,1123 15.803,1124 11.309,1125 9.337,1126 18.122,1127 13.389,1128 15.771,1129 0.287,1130 0.201,1131 17.072,1132 11.072,1133 13.092,1134 0.184,1135 0.118,1136 14.17,1137 8.409,1138 10.403,1139 0.117,1140 0.071,1141 11.448,1142 6.322,1143 8.63,1144 0.076,1145 0.042,1146 9.704,1147 4.755,1148 0.257,1149 117.544,1150 0.198,1151 33.375,1152 0.42,1153 188,1154 607.037,1155 242.459,1156 599.455,1157 790.92,1158 550,1159 220,1160 542.218,1161 282.306,1162 577.46,1163 824.73,1164 538,1165 6.301} {0 CHEMBL329967,1 1.643,2 15.405,3 3.311,4 10.963,5 138.109,6 7.731,7 0.425,8 4.313,9 4.409,10 4.008,11 3.876,12 5.45,13 3.831,14 4.861,15 5.011,16 4.297,17 4.279,18 6.026,19 4.215,20 5.186,21 5.376,22 4.414,23 4.458,24 6.295,25 4.367,26 5.311,27 5.52,28 4.382,29 4.461,30 6.387,31 4.351,32 5.31,33 5.533,34 4.376,35 4.411,36 6.474,37 4.309,38 5.244,39 5.457,40 4.335,41 4.368,42 6.494,43 4.273,44 5.177,45 5.379,46 4.24,47 4.335,48 6.345,49 4.239,50 5.094,51 5.299,52 4.145,53 4.227,54 6.307,55 4.13,56 0.223,57 0.967,58 16.476,59 7.201,60 32.516,61 8.385,62 0.398,63 1.578,64 28.829,65 11.933,66 68.459,67 14.629,68 0.655,69 2.06,70 43.736,71 15.699,72 110.585,73 19.727,74 0.914,75 2.162,76 53.151,77 17.887,78 139.136,79 22.142,80 1.112,81 2.095,82 54.404,83 17.448,84 192.231,85 21.987,86 1.177,87 1.968,88 50.312,89 16.415,90 189.074,91 20.379,92 0.842,93 1.862,94 47.854,95 15.936,96 141.397,97 19.019,98 0.886,99 1.693,100 39.907,101 13.477,102 136.883,103 17.016,104 42,105 56,106 0.257,107 0.601,108 0.786,109 0.855,110 0.86,111 0.86,112 3.642,113 1.04,114 -3.76,115 -3.72,116 -3.54,117 39.7,118 1,119 5,120 1,123 2,124 1,133 9,134 2,135 2,136 2,139 1,140 1,144 2,147 13,149 2,150 10,154 15,157 14,158 1,160 3,161 12,163 2,164 12,166 3,167 7,169 1,170 11,171 2,173 3,174 11,176 4,177 9,181 5,182 11,184 1,185 10,188 2,189 14,191 1,192 7,194 2,197 16,199 3,200 5,201 1,202 1,204 6,206 2768,207 24.797,208 24.797,209 24.797,210 24.797,211 24.797,212 21.974,213 24.423,214 14.464,215 25.429,216 19.602,217 19.602,218 19.602,219 19.602,220 19.602,221 15.443,222 22.748,223 6.713,224 20.536,225 4.445,226 2.253,227 1.07,228 0.629,229 0.599,230 0.599,231 4.333,233 1220,234 4.69,236 522.338,238 202.921,239 2.503,240 55.491,241 0.75,242 0.67,243 0.67,244 0.7,245 0.5,246 0.83,247 1,248 0.73,249 81.5,250 570,251 4.853,252 5.252,253 7.311,254 4.265,255 3.399,256 4.7,257 2.95,258 12.527,259 3.024,260 4.529,261 4.144,262 6.531,263 4.057,264 3.073,265 4.469,266 2.16,267 10.315,268 2.922,269 3.915,270 3.771,271 6.045,272 3.759,273 2.789,274 3.44,275 1.971,276 8.651,277 2.699,278 3.87,279 3.203,280 5.452,281 3.535,282 2.565,283 3.081,284 1.151,285 7.203,286 2.478,287 3.745,288 2.933,289 5.387,290 3.428,291 2.489,292 3.008,293 0.466,294 7.055,295 2.322,296 3.573,297 2.785,298 5.201,299 3.143,300 2.161,301 2.857,302 0.466,303 6.278,304 2.123,305 3.475,306 2.73,307 5.087,308 3.1,309 2.121,310 2.812,312 6.162,313 2.071,314 3.275,315 2.654,316 5.016,317 3.048,318 2.08,319 2.333,320 5.943,321 2.005,322 3.117,323 2.345,324 4.816,325 2.626,326 1.676,327 2.292,328 4.957,329 1.576,330 2.889,331 2.323,332 4.015,333 2.393,334 1.4,335 2.077,336 3.19,337 1.389,338 2.58,339 2.244,340 3.861,341 2.276,342 1.274,343 1.52,344 3.092,345 1.267,346 2.512,347 1.732,348 3.604,349 2.095,350 1.114,351 1.5,352 2.783,353 1.089,354 2.5,355 1.431,356 3.414,357 2,358 1,359 1.473,360 2.275,361 1,362 2,363 1.396,364 3.414,365 2,366 1,367 1,368 2.275,369 1,370 1.842,371 1.147,372 3.267,373 1.565,374 0.589,375 0.711,376 1.41,377 0.569,378 17.533,379 0.474,380 0.974,381 0.026,382 45.5,383 1.23,384 22.5,385 0.608,386 23,387 0.622,388 36.458,389 0.985,390 41.267,391 0.607,392 38.894,393 1.051,394 8.719,395 0.236,396 9.066,397 0.245,398 0.124,399 0.048,400 0.279,401 0.595,402 1.177,403 0.838,404 1.148,405 0.673,406 0.982,407 0.705,408 1.168,409 0.954,410 1.109,411 0.554,412 1.032,413 0.907,414 1.104,415 1.08,416 1.118,417 0.776,418 1.074,419 1.113,420 1.048,421 1.142,422 1.108,423 1.123,424 1.073,425 1.06,426 0.938,427 1.013,428 0.996,429 1.135,430 0.956,431 1.073,432 0.901,433 1.062,434 0.956,435 1.015,436 0.927,437 1.328,438 0.953,439 1.246,440 1.067,441 1.456,442 0.993,443 1.275,444 0.938,445 1.013,446 0.918,447 1.571,448 1.028,449 9,450 0.285,451 4.667,452 2.375,453 2.391,454 1.528,455 0.935,456 0.604,457 0.483,458 0.386,459 22762,460 66200,461 2.032,462 45.6,463 5,464 14,466 1,467 2,468 7,469 2,471 1.778,472 1.889,473 3.828,474 0.189,477 111.721,478 1.643,479 3.834,480 5.017,481 5.459,482 5.488,483 5.488,484 3.352,485 4.811,486 5.181,487 4.075,488 2713.93,489 9.101,490 46269.1,493 413.947,494 1.556,495 5.128,496 0.225,497 0.008,498 0.083,499 0.04,500 0.044,501 0.029,502 0.018,503 0.012,504 0.011,505 0.01,506 0.481,507 0.33,508 0.75,509 0.935,510 207.063,511 0.113,512 0.034,513 0.154,514 0.045,515 -0.046,516 0.046,517 0.047,518 -0.045,519 -0.008,520 -0.024,521 0.112,522 -0.02,523 -0.053,524 -0.039,525 -0.074,526 -0.071,527 0.011,528 -0.078,529 -0.091,530 -0.062,531 -0.082,532 -0.074,533 -0.108,534 -0.081,535 0.01,536 0.015,537 0.038,538 0.006,539 -0.013,540 0.03,541 0.055,542 0.061,543 0.006,544 0.059,545 0.093,546 0.055,547 -0.189,548 0.019,549 -0.136,550 -0.004,551 -0.188,552 -0.002,553 -0.123,554 0.016,555 -0.077,556 0.02,557 -0.218,558 -0.066,559 4.704,560 6.124,561 0.595,562 47.069,563 1.011,564 1.125,565 2.526,566 6.383,567 0.663,568 3.714,569 4.043,570 4.277,571 4.489,572 4.727,573 4.762,574 4.796,575 4.852,576 4.997,577 5.004,578 8.942,579 0.631,580 525.68,581 3.714,582 5.263,583 6.103,584 6.978,585 7.836,586 8.714,587 9.577,588 10.457,589 11.323,590 12.204,591 4.4,594 1,596 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 68,609 21,610 2,611 40,612 71,613 27,614 15,615 4,616 8,618 4,619 5,621 1,623 4,624 1,625 6,627 17,628 10,629 1,630 4,632 1,633 3,634 1,635 1,636 1,639 31,640 9,641 2,642 10,643 1,644 3,646 0.75,647 6,648 1,651 4,653 1,655 1,663 1,665 2,667 3,669 1,670 1,671 37,672 1,674 2,675 7,677 1,679 2,680 1,684 8.8,685 1,687 3,689 2,690 19.583,691 12.083,692 8.208,693 4.03,694 3.559,695 1.443,696 0.934,697 8.804,698 11.599,699 3.98,700 4.575,701 5.07,702 5.583,703 6.119,704 6.366,705 6.642,706 6.896,707 7.315,708 7.414,709 1,710 59,711 14.048,712 6.368,713 7.993,714 26.039,715 21.943,716 2.493,717 92.25,719 341.362,720 149.528,721 30.033,722 166.069,723 6.046,724 143.482,725 507.431,726 30.033,727 8.825,728 18.165,729 134.138,730 111.767,731 84.507,733 329.591,734 341.362,735 173.515,736 166.069,737 6.046,738 317.82,739 146.806,740 42.806,741 45.138,742 111.591,743 22.831,745 341.362,746 196.102,747 149.528,748 6.046,749 341.362,750 38.375,751 105.107,753 196.102,754 341.362,755 196.102,756 149.528,757 0.582,758 0.339,759 0.173,760 0.098,761 25,762 12,763 0.127,764 9,765 1,766 1.091,767 4.706,768 345.124,769 0.091,770 22,771 182.75,773 1,774 27.059,775 12.039,776 6.864,777 1.889,778 196.102,779 15.952,780 4.535,783 2.485,784 85.611,785 686.992,786 52.5,788 -3.787,789 37.501,790 0.241,791 3.258,792 0.714,793 68.716,794 76.484,795 0.27,796 0.63,797 0.824,798 0.897,799 0.902,800 0.902,801 5.227,802 2.08,803 6.111,804 6.162,805 4.727,806 5.263,807 3.626,808 6.936,809 4.635,810 6.448,811 1.676,812 7.688,813 5.943,814 4.443,815 5.286,816 1.882,817 8.055,818 4.23,819 7.782,820 1.4,821 9.374,822 4.957,823 6.378,824 7.538,825 5.368,826 11.077,827 6.157,828 9.157,829 1.274,830 11.129,831 3.19,832 6.899,833 8.403,834 3.66,835 13.046,836 6.528,837 10.57,838 1.114,839 12.93,840 3.092,841 8.341,842 10.19,843 7.35,844 15.674,845 7.952,846 12.01,847 1,848 14.765,849 2.783,850 9.224,851 11.429,852 5.313,853 17.979,854 8.68,855 13.472,856 1,857 16.627,858 2.275,859 10.489,860 13.054,861 9.428,862 20.508,863 9.9,864 3.399,865 0.589,866 18.511,867 2.275,868 11.54,869 14.458,870 6.912,871 22.941,872 10.804,873 3.073,874 12.527,875 20.412,876 1.41,877 12.747,878 16.023,879 11.55,880 25.451,881 11.938,882 2.789,883 10.315,884 22.327,885 4.7,886 13.876,887 17.499,888 8.482,889 27.933,890 12.931,891 2.565,892 8.651,893 24.255,894 4.469,895 15.067,896 19.042,897 13.694,898 30.444,899 14.031,900 2.489,901 7.203,902 26.192,903 3.44,904 16.233,905 20.549,906 10.037,907 32.947,908 15.068,909 2.161,910 7.055,911 28.137,912 3.081,913 17.425,914 22.085,915 15.848,916 35.461,917 16.155,918 2.121,919 6.278,920 30.089,921 3.008,922 18.611,923 23.606,924 11.584,925 37.975,926 17.215,927 21759,928 37289,929 26.235,930 45.051,931 59.624,932 66.959,933 61.504,934 59.219,935 58.948,936 76.31,937 18.327,938 170.612,939 56.498,940 5.853,941 7.252,942 6.993,943 5.387,944 5.399,945 7.7,946 5.9,947 19.918,948 5.024,949 20.474,950 1.491,951 1.674,952 1.538,953 1.48,954 1.474,955 1.908,956 0.458,957 4.265,958 1.412,959 4.122,960 4.127,961 4.743,962 4.115,963 7.714,964 4.041,965 4.057,966 4.055,967 4.043,968 4.009,969 7.455,970 3.983,971 3.894,972 3.938,973 3.789,974 3.788,975 6.999,976 3.778,977 3.715,978 3.737,979 3.72,980 3.616,981 6.543,982 3.582,983 3.544,984 3.585,985 3.509,986 3.444,987 6.464,988 3.435,989 3.502,990 3.507,991 3.428,992 3.311,993 4.992,994 3.302,995 3.29,996 3.335,997 3.192,998 3.093,999 4.805,1000 3.088,1001 3.26,1002 3.317,1003 3.138,1004 3.008,1005 4.405,1006 3.049,1007 0.121,1008 0.131,1009 0.183,1010 0.107,1011 0.085,1012 4.853,1013 0.118,1014 5.252,1015 0.074,1016 7.311,1017 0.313,1018 4.265,1019 0.076,1020 3.399,1021 4.7,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.508,1030 2.135,1031 1.984,1032 1.997,1033 2.095,1034 2.065,1035 1.305,1036 2.1,1037 1.886,1038 1.841,1039 1.972,1040 2.003,1041 1.27,1042 2.031,1043 1.648,1044 1.629,1045 1.787,1046 1.828,1047 1.05,1048 1.828,1049 1.545,1050 1.501,1051 1.748,1052 1.678,1053 0.835,1054 1.704,1055 1.359,1056 1.349,1057 1.543,1058 1.577,1059 0.825,1060 1.585,1061 1.24,1062 1.182,1063 1.513,1064 1.481,1065 0.772,1066 1.474,1067 1.16,1068 1.117,1069 1.418,1070 1.445,1071 0.688,1072 1.447,1073 4.394,1074 5.72,1076 7.241,1078 8.846,1080 10.495,1081 1.926,1082 19.018,1083 2.895,1085 5.933,1087 -0.761,1088 0.45,1091 42.915,1092 111.721,1093 260.733,1094 341.153,1095 371.193,1096 373.193,1097 373.193,1098 108.819,1099 8.04,1100 129.39,1101 137.77,1102 24,1103 12.743,1104 4.459,1105 3.755,1106 65.111,1107 200,1108 206,1109 0.155,1110 266.407,1111 471.37,1112 641.794,1113 40777,1114 26.416,1115 0.714,1116 0.58,1117 26.666,1118 21.472,1119 17.784,1120 0.445,1121 0.347,1122 12.209,1123 16.285,1124 11.776,1125 9.734,1126 18.605,1127 13.872,1128 16.209,1129 0.289,1130 0.205,1131 17.51,1132 11.5,1133 13.298,1134 0.187,1135 0.122,1136 14.389,1137 8.644,1138 10.465,1139 0.119,1140 0.072,1141 11.502,1142 6.376,1143 8.594,1144 0.077,1145 0.042,1146 9.571,1147 4.739,1148 0.251,1149 120.442,1150 0.195,1151 34.267,1152 0.405,1153 192,1154 611.037,1155 246.459,1156 603.738,1157 796.16,1158 554,1159 223,1160 545.218,1161 285.139,1162 580.843,1163 828.03,1164 541,1165 6.481} {0 CHEMBL409536,1 1.681,2 12.107,3 3.097,4 9.591,5 106.835,6 8.92,7 0.387,8 3.908,9 3.988,10 3.672,11 3.538,12 5.116,13 3.518,14 4.408,15 4.52,16 4.073,17 3.919,18 5.666,19 3.877,20 4.617,21 4.759,22 4.125,23 3.994,24 5.834,25 3.942,26 4.689,27 4.861,28 4.068,29 3.851,30 6.056,31 3.823,32 4.46,33 4.621,34 3.909,35 3.76,36 5.771,37 3.734,38 4.481,39 4.611,40 3.966,41 3.763,42 6.009,43 3.742,44 4.323,45 4.436,46 3.859,47 3.742,48 5.789,49 3.67,50 4.314,51 4.485,52 3.61,53 3.655,54 5.447,55 3.54,56 0.071,57 0.586,58 6.308,59 3.947,60 8.117,61 4.144,62 0.427,63 0.998,64 13.403,65 6.501,66 21.091,67 6.92,68 0.282,69 1.181,70 21.076,71 9.243,72 32.79,73 9.67,74 0.784,75 1.237,76 25.469,77 9.068,78 97.017,79 9.146,80 0.314,81 0.98,82 19.386,83 7.831,84 33.93,85 8.254,86 0.713,87 0.992,88 19.904,89 7.461,90 91.747,91 6.662,92 0.461,93 0.863,94 15.785,95 6.903,96 74.611,97 6.434,98 0.393,99 0.892,100 20.242,101 7.393,102 52.495,103 7.046,104 10,105 43,106 0.287,107 0.579,108 0.696,109 0.771,110 0.823,111 0.847,112 3.374,113 0.914,114 -4.27,115 -4.21,116 -3.98,117 47.7,123 2,127 1,129 1,130 1,131 1,133 10,134 2,140 2,141 1,147 12,149 5,150 6,154 13,157 6,161 6,163 4,164 12,167 1,170 12,174 3,176 4,177 9,182 5,184 2,185 6,189 6,192 6,197 5,200 10,204 3,206 1226,207 19.068,208 19.068,209 19.068,210 19.068,211 19.068,212 16.824,213 19.937,214 11.385,215 19.489,216 15.317,217 15.317,218 15.317,219 15.317,220 15.317,221 11.821,222 22.393,223 5.472,224 15.994,225 3.778,226 2.068,227 1.38,228 0.943,229 0.636,230 0.5,231 4.071,232 1,233 739,234 3.162,235 63.487,236 270.345,237 117.395,239 2.051,240 36.593,241 1,242 1,243 1,244 0.4,246 1,247 1,248 0.77,249 61,250 339,251 4.484,252 4.676,253 6.782,254 4.172,255 3.243,256 3.823,257 3.152,258 11.086,259 3.014,260 4.093,261 3.908,262 6.152,263 3.745,264 2.803,265 3.48,266 1.759,267 9.014,268 2.622,269 3.903,270 3.593,271 5.78,272 3.523,273 2.545,274 3.443,275 1.727,276 7.693,277 2.494,278 3.859,279 3.332,280 5.337,281 3.449,282 2.456,283 3.308,284 1.1,285 6.946,286 2.431,287 3.518,288 2.872,289 5.287,290 3.19,291 2.226,292 2.675,293 0.636,294 6.673,295 2.132,296 3.457,297 2.737,298 5.174,299 2.981,300 2.001,301 2.613,302 0.54,303 5.992,304 1.918,305 2.948,306 2.693,307 4.142,308 2.513,309 1.541,310 2.105,311 0.427,312 3.627,313 1.497,314 2.901,315 2.004,316 3.92,317 2.461,318 1.464,319 2.058,320 3.156,321 1.456,322 2.77,323 1.779,324 3.648,325 2.155,326 1.223,327 1.687,328 2.99,329 1.114,330 2.5,331 1.743,332 3.598,333 2,334 1,335 1.5,336 2.478,337 1,338 2.5,339 1.386,340 3.313,341 2,342 1,343 1.5,344 2.136,345 1,346 2.105,347 1.258,348 3.247,349 1.78,350 0.871,351 0.991,352 2.136,353 0.769,354 1.863,355 1,356 3.247,357 1.477,358 0.491,359 0.608,360 1.235,361 0.474,362 1.736,363 1,364 2.924,365 1.333,366 0.367,367 0.458,368 0.869,369 0.344,370 1.226,371 0.572,372 2.718,373 0.661,374 -0.324,375 -0.428,376 -0.87,377 -0.313,378 13.467,379 0.481,380 0.644,381 0.023,382 37.75,383 1.348,384 19.5,385 0.696,386 18.25,387 0.652,388 20.549,389 0.734,390 28.533,391 0.648,392 29.189,393 1.042,394 7.795,395 0.278,396 5.819,397 0.208,398 0.074,400 0.319,401 0.657,402 1.195,403 0.654,404 0.916,405 0.52,406 0.839,407 0.621,408 0.957,409 0.821,410 0.882,411 0.55,412 0.896,413 0.852,414 1.315,415 1.002,416 1.302,417 0.853,418 1.135,419 1.322,420 0.948,421 0.908,422 0.911,423 1.396,424 0.9,425 1.144,426 1.065,427 0.892,428 1.008,429 1.002,430 0.849,431 1.5,432 0.814,433 1.157,434 0.86,435 1.618,436 0.816,437 1.097,438 1.082,439 1.309,440 1.147,441 1.275,442 1.089,443 1.288,444 0.928,445 1.587,446 1.128,447 1.215,448 1.047,449 5,450 0.102,451 2.889,452 1.757,453 1.868,454 1.035,455 0.576,456 0.393,457 0.267,458 0.193,459 10522,460 31252,461 2.115,462 36.4,464 15,465 1,471 1.709,472 2,473 3.548,474 -0.742,475 1,476 1,477 73.976,478 1.681,479 3.391,480 4.079,481 4.516,482 4.823,483 4.959,484 3.053,485 4.307,486 4.773,487 3.711,488 1402.92,489 8.294,490 18670.7,491 1,492 1,493 240.215,494 1.333,495 4.748,496 0.161,497 0.005,498 0.067,499 0.041,500 0.049,501 0.028,502 0.016,503 0.012,504 0.011,505 0.008,506 0.398,507 0.17,508 1,509 0.517,510 141.58,511 -0.031,512 -0.177,513 0.06,514 -0.032,515 -0.041,516 -0.009,517 0.215,518 0.109,519 0.042,520 0.048,521 0.048,522 -0.037,523 0.004,524 -0.325,525 0.007,526 -0.288,527 -0.028,528 -0.179,529 0.033,530 0.056,531 0.115,532 0.043,533 -0.034,534 0.052,535 -0.071,536 -0.092,537 0.119,538 -0.017,539 0.046,540 0.128,541 -0.002,542 0.215,543 -0.073,544 0.151,545 0.015,546 0.075,547 0.03,548 -0.07,549 -0.177,550 -0.054,551 0.036,552 -0.171,553 -0.281,554 0.119,555 -0.291,556 0.041,557 -0.213,558 -0.033,559 2.195,560 5.749,561 0.75,562 30.883,563 1.018,564 1.106,565 3.042,566 9.254,567 0.723,568 3.466,569 3.784,570 4.06,571 4.317,572 4.554,573 4.625,574 4.727,575 4.883,576 4.956,577 4.963,578 6.958,579 0.699,580 392.46,581 3.466,582 5.004,583 5.855,584 6.73,585 7.601,586 8.485,587 9.368,588 10.258,589 11.148,590 12.044,591 4.5,594 2,599 10,603 2,604 12,608 44,609 17,610 2,611 31,612 47,613 21,614 12,615 2,616 10,617 6,618 4,619 5,620 1,627 19,628 2,630 5,633 3,634 2,636 5,637 1,639 16,640 6,642 7,643 1,644 2,645 1,646 0.75,647 4,650 1,651 3,652 1,659 1,661 2,667 3,668 1,669 1,671 28,675 2,677 1,678 1,680 2,684 9.1,687 3,689 1,690 14,691 7.983,692 6.139,693 2.485,694 2.567,695 1.337,696 0.999,697 5.33,698 10.174,699 3.761,700 4.29,701 4.783,702 5.254,703 5.692,704 5.782,705 5.986,706 6.299,707 6.584,708 6.717,709 1,710 43,711 10.42,712 4.561,713 7.964,714 19.362,715 15.84,716 2.464,717 69,718 1,719 188.338,720 177.419,721 6.249,722 86.435,723 32.22,724 145.2,725 274.772,726 6.249,728 21.994,729 104.239,730 88.881,731 18.493,732 16.047,733 208.786,734 188.338,735 151.448,736 86.435,737 32.22,738 188.338,739 86.435,741 12.947,742 127.475,743 11.027,744 32.22,745 188.338,746 92.683,747 177.419,749 188.338,750 64.133,751 119.535,753 86.435,754 188.338,755 92.683,756 177.419,757 0.58,758 0.339,759 0.181,760 0.101,761 21,762 9,763 0.128,764 6,765 1,766 1.095,767 4.056,768 241.706,769 0.095,770 21,771 126.606,772 1,774 18.541,775 8.049,776 4.061,778 92.683,779 18.597,783 1.719,785 458.44,786 42,789 37.485,790 2.791,792 -0.737,793 44.774,794 48.661,795 0.308,796 0.621,797 0.747,798 0.827,799 0.883,800 0.908,801 4.997,802 1.464,803 5.832,804 3.627,805 4.466,806 4.977,807 3.586,808 6.635,809 4.378,810 6.185,811 1.223,812 7.385,813 3.156,814 4.007,815 4.605,816 1.404,817 7.503,818 3.867,819 7.476,820 1,821 9.039,822 2.99,823 6.047,824 7.028,825 5.447,826 10.63,827 5.853,828 8.798,829 1,830 10.755,831 2.478,832 6.431,833 7.423,834 2.71,835 12.347,836 6.156,837 10.151,838 0.871,839 12.511,840 2.136,841 7.924,842 9.32,843 7.625,844 14.994,845 7.603,846 11.525,847 0.491,848 14.294,849 2.136,850 8.703,851 10.081,852 4.12,853 17.076,854 8.286,855 12.916,856 0.367,857 16.099,858 1.235,859 9.979,860 11.736,861 9.887,862 19.561,863 9.511,864 3.243,865 -0.324,866 17.918,867 0.869,868 10.952,869 12.699,870 5.832,871 21.812,872 10.386,873 2.803,874 11.086,875 19.751,876 -0.87,877 12.143,878 14.223,879 12.173,880 24.239,881 11.516,882 2.545,883 9.014,884 21.594,885 3.823,886 13.213,887 15.308,888 7.93,889 26.569,890 12.49,891 2.456,892 7.693,893 23.446,894 3.48,895 14.376,896 16.753,897 14.465,898 28.977,899 13.585,900 2.226,901 6.946,902 25.306,903 3.443,904 15.493,905 17.917,906 10.256,907 31.344,908 14.611,909 2.001,910 6.673,911 27.172,912 3.308,913 16.65,914 19.315,915 16.76,916 33.747,917 15.695,918 1.541,919 5.992,920 29.045,921 2.675,922 17.791,923 20.531,924 12.655,925 36.131,926 16.75,927 9915,928 17286,929 20.978,930 31.807,931 47.337,932 51.18,933 47.422,934 46.459,935 46.463,936 60.498,937 18.682,938 132.061,939 44.529,940 5.452,941 6.676,942 6.584,943 5.317,944 5.243,945 6.823,946 6.301,947 18.619,948 5.014,949 11.387,950 1.527,951 1.651,952 1.53,953 1.499,954 1.499,955 1.952,956 0.603,957 4.26,958 1.436,959 3.984,960 4.012,961 4.116,962 3.891,963 7.446,964 3.885,965 3.902,966 3.932,967 3.837,968 3.838,969 7.432,970 3.831,971 3.844,972 3.868,973 3.83,974 3.78,975 7.411,976 3.757,977 3.532,978 3.536,979 3.55,980 3.338,981 4.781,982 3.366,983 3.242,984 3.287,985 3.252,986 3.065,987 4.746,988 3.065,989 3.137,990 3.17,991 3.082,992 2.984,993 4.502,994 2.984,995 2.993,996 3.001,997 2.913,998 2.749,999 4.306,1000 2.791,1001 2.854,1002 2.925,1003 2.834,1004 2.735,1005 3.89,1006 2.715,1007 0.145,1008 0.151,1009 0.219,1010 0.135,1011 0.105,1012 4.484,1013 0.123,1014 4.676,1015 0.102,1016 6.782,1017 0.358,1018 4.172,1019 0.097,1020 3.243,1021 3.823,1022 3.152,1023 11.086,1024 3.014,1025 1.916,1026 1.886,1027 2.041,1028 2.023,1029 1.165,1030 2.026,1031 1.904,1032 1.877,1033 2.033,1034 1.993,1035 1.133,1036 2.007,1037 1.668,1038 1.641,1039 1.737,1040 1.868,1041 0.835,1042 1.836,1043 1.496,1044 1.505,1045 1.544,1046 1.66,1047 0.677,1048 1.633,1049 1.181,1050 1.131,1051 1.419,1052 1.378,1053 0.603,1054 1.391,1055 1.163,1056 1.107,1057 1.381,1058 1.342,1059 0.583,1060 1.374,1061 0.886,1062 0.821,1063 1.181,1064 1.13,1065 0.218,1066 1.107,1067 0.886,1068 0.821,1069 1.181,1070 1.062,1071 0.218,1072 1.107,1073 4.143,1074 5.46,1075 2.398,1076 6.971,1077 4.727,1078 8.571,1079 6.862,1080 10.22,1083 0.314,1085 5.311,1086 1.059,1088 2.461,1091 30.777,1092 73.976,1093 149.221,1094 179.486,1095 198.705,1096 212.215,1097 218.215,1098 56.796,1099 7.607,1100 69.78,1101 98.02,1102 23,1103 12.571,1104 4.17,1105 3.585,1106 42.541,1107 117,1108 119,1109 0.179,1110 191.139,1111 347.25,1112 458.14,1113 21468,1114 19.51,1115 0.697,1116 0.557,1117 19.863,1118 15.595,1119 13.614,1120 0.439,1121 0.305,1122 8.574,1123 12.678,1124 8.339,1125 6.896,1126 14.022,1127 9.443,1128 12.19,1129 0.283,1130 0.169,1131 12.832,1132 7.265,1133 10.432,1134 0.183,1135 0.092,1136 11.254,1137 5.261,1138 8.534,1139 0.115,1140 0.051,1141 9.471,1142 3.74,1143 6.926,1144 0.074,1145 0.027,1146 7.733,1147 2.513,1148 0.283,1149 89.483,1150 0.218,1151 27.026,1152 0.484,1153 148,1154 495.093,1155 190.137,1156 491.626,1157 660.68,1158 458,1159 174,1160 459.501,1161 215.233,1162 479.127,1163 705.92,1164 449,1165 4} {0 CHEMBL419896,1 1.594,2 15.615,3 3.278,4 10.746,5 144.951,6 7.599,7 0.395,8 4.392,9 4.484,10 4.076,11 3.941,12 5.438,13 3.903,14 4.989,15 5.13,16 4.41,17 4.353,18 6.128,19 4.304,20 5.299,21 5.484,22 4.479,23 4.531,24 6.363,25 4.445,26 5.39,27 5.594,28 4.432,29 4.554,30 6.401,31 4.436,32 5.415,33 5.652,34 4.414,35 4.507,36 6.495,37 4.385,38 5.34,39 5.565,40 4.372,41 4.436,42 6.524,43 4.331,44 5.243,45 5.444,46 4.302,47 4.397,48 6.365,49 4.3,50 5.199,51 5.4,52 4.286,53 4.313,54 6.36,55 4.224,56 0.165,57 1.019,58 17.979,59 7.965,60 25.672,61 9.259,62 0.591,63 1.694,64 33.642,65 13.327,66 75.671,67 16.04,68 0.883,69 2.194,70 50.062,71 17.488,72 118.28,73 21.526,74 0.95,75 2.329,76 56.88,77 19.757,78 121.425,79 24.559,80 1.108,81 2.328,82 60.173,83 19.731,84 175.792,85 25.631,86 1.266,87 2.128,88 55.904,89 18.143,90 186.493,91 22.933,92 0.908,93 1.97,94 50.737,95 17.031,96 128.477,97 20.654,98 1.091,99 1.837,100 46.227,101 15.244,102 147.982,103 18.943,104 28,105 62,106 0.246,107 0.569,108 0.757,109 0.841,110 0.845,111 0.845,112 3.693,113 1.042,114 -3.82,115 -3.78,116 -3.59,117 39.7,118 1,119 5,120 1,123 4,124 1,125 1,133 9,134 2,135 2,136 2,140 1,144 1,147 13,149 3,150 12,154 15,157 16,158 1,160 1,161 12,163 2,164 13,166 1,167 7,169 1,170 12,171 2,173 2,174 11,176 4,177 9,181 4,182 11,184 2,185 10,188 2,189 14,191 1,192 7,194 2,197 16,199 6,200 5,201 1,204 6,206 3232,207 26.187,208 26.187,209 26.187,210 26.187,211 26.187,212 23.811,213 24.853,214 15.127,215 26.854,216 21.123,217 21.123,218 21.123,219 21.123,220 21.123,221 17.414,222 25.724,223 7.049,224 22.164,225 4.596,226 2.512,227 1.295,228 0.75,229 0.723,230 0.723,231 4.394,233 1336,234 4.848,235 134.75,236 548.283,238 216.079,239 2.568,240 59.23,241 0.75,242 0.67,243 0.67,244 0.9,245 0.5,246 0.83,247 1,248 0.76,249 86,250 609,251 4.853,252 5.252,253 7.311,254 4.352,255 3.399,256 4.7,257 2.95,258 12.668,259 3.325,260 4.529,261 4.144,262 7.207,263 4.264,264 3.361,265 4.469,266 1.971,267 12.527,268 3.024,269 4.362,270 3.839,271 6.531,272 4.057,273 3.073,274 3.44,275 1.392,276 10.315,277 2.919,278 3.907,279 3.203,280 6.043,281 3.718,282 2.757,283 3.362,284 1.151,285 8.639,286 2.642,287 3.781,288 2.932,289 5.388,290 3.437,291 2.497,292 3.008,293 0.532,294 7.068,295 2.337,296 3.573,297 2.758,298 5.265,299 3.273,300 2.289,301 2.858,302 0.466,303 6.646,304 2.24,305 3.475,306 2.654,307 5.201,308 3.143,309 2.161,310 2.821,312 6.276,313 2.123,314 3.317,315 2.466,316 5.016,317 3.048,318 2.08,319 2.34,320 5.943,321 2.005,322 3.117,323 2.342,324 4.816,325 2.627,326 1.677,327 2.315,328 4.957,329 1.577,330 2.889,331 2.248,332 4.038,333 2.393,334 1.438,335 2.077,336 3.271,337 1.389,338 2.592,339 1.876,340 3.863,341 2.37,342 1.4,343 1.525,344 3.097,345 1.333,346 2.512,347 1.714,348 3.825,349 2.248,350 1.259,351 1.505,352 2.966,353 1.228,354 2.5,355 1.478,356 3.802,357 2.095,358 1.114,359 1.5,360 2.782,361 1.089,362 2.405,363 1.431,364 3.618,365 2,366 1,367 1.382,368 2.372,369 1,370 2,371 1.397,372 3.604,373 2,374 1,375 1,376 2.275,377 1,378 18.467,379 0.474,380 1.077,381 0.028,382 46,383 1.179,384 21,385 0.538,386 25,387 0.641,388 41.024,389 1.052,390 43.933,391 0.602,392 39.326,393 1.008,394 8.592,395 0.22,396 10.175,397 0.261,398 0.099,399 0.072,400 0.238,401 0.653,402 1.267,403 0.825,404 1.222,405 0.665,406 1.017,407 0.901,408 1.145,409 0.961,410 1.086,411 0.617,412 1.003,413 1.15,414 1.034,415 1.121,416 1.041,417 0.855,418 1.029,419 1.068,420 1.098,421 1.159,422 1.136,423 1.082,424 1.121,425 0.871,426 0.969,427 0.961,428 1.006,429 1.045,430 0.971,431 1.021,432 0.875,433 1.018,434 0.91,435 1.038,436 0.887,437 1.223,438 0.985,439 1.216,440 1.074,441 1.512,442 1.002,443 1.239,444 0.962,445 0.995,446 0.942,447 1.63,448 0.997,449 10,450 0.358,451 5.111,452 2.507,453 2.552,454 1.566,455 0.99,456 0.65,457 0.557,458 0.471,459 27804,460 74209,461 2.082,462 46.6,463 5,464 18,466 1,467 1,468 3,469 2,470 4,471 1.791,472 1.95,473 3.861,474 -0.358,477 116.351,478 1.594,479 3.677,480 4.895,481 5.44,482 5.467,483 5.467,484 3.352,485 4.805,486 5.258,487 4.129,488 3059.41,489 9.251,490 54278.3,493 451.857,494 1.537,495 5.208,496 0.233,497 0.009,498 0.082,499 0.04,500 0.045,501 0.028,502 0.018,503 0.012,504 0.012,505 0.011,506 0.49,507 0.33,508 0.63,509 0.787,510 221.804,511 0.066,512 -0.057,513 0.166,514 -0.021,515 -0.071,516 0.026,517 0.055,518 -0.038,519 0.007,520 -0.017,521 0.118,522 -0.009,523 -0.129,524 0.011,525 -0.1,526 -0.007,527 -0.006,528 -0.047,529 -0.093,530 -0.097,531 -0.118,532 -0.099,533 -0.087,534 -0.124,535 0.051,536 -0.004,537 0.066,538 -0.012,539 0.045,540 0.027,541 0.054,542 0.087,543 0.044,544 0.09,545 0.124,546 0.095,547 -0.126,548 0.007,549 -0.116,550 -0.017,551 -0.167,552 -0.013,553 -0.051,554 -0.001,555 -0.014,556 0.017,557 -0.191,558 -0.036,559 4.696,560 6.242,561 0.667,562 51.503,563 1.01,564 1.124,565 2.585,566 6.684,567 0.658,568 3.784,569 4.143,570 4.394,571 4.625,572 4.844,573 4.89,574 4.949,575 5.037,576 5.182,577 5.198,578 9.286,579 0.626,580 554.72,581 3.784,582 5.352,583 6.205,584 7.096,585 7.965,586 8.856,587 9.73,588 10.621,589 11.497,590 12.388,591 2.7,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 73,609 20,610 2,611 43,612 77,613 29,614 15,615 4,616 8,618 5,619 6,621 1,623 5,624 1,625 7,627 16,628 13,629 1,630 3,632 1,633 3,634 1,639 34,640 9,641 1,642 10,643 1,644 2,646 0.6,647 7,648 1,650 1,651 4,653 1,663 1,665 1,666 2,667 3,669 1,670 1,671 39,672 1,674 1,675 9,677 3,679 2,680 1,681 1,684 9.6,685 1,687 3,688 2,689 1,690 20,691 13.017,692 8.458,693 4.44,694 3.415,695 1.408,696 0.95,697 8.433,698 11.786,699 4.016,700 4.605,701 5.101,702 5.616,703 6.137,704 6.379,705 6.657,706 6.912,707 7.326,708 7.426,709 1,710 63,711 14.87,712 6.826,713 7.88,714 27.875,715 23.952,716 2.38,717 92.833,719 388.446,720 155.956,721 16.786,722 145.263,723 6.046,724 149.91,725 533.71,726 16.786,727 8.825,728 27.35,729 134.138,730 131.01,731 28.453,733 376.675,734 388.446,735 166.695,736 145.263,737 6.046,738 317.82,739 151.084,740 64.805,741 41.076,742 108.834,743 22.831,745 388.446,746 162.049,747 155.956,748 6.046,749 388.446,750 44.803,751 105.107,753 162.049,754 388.446,755 162.049,756 155.956,757 0.59,758 0.345,759 0.178,760 0.097,761 30,762 13,763 0.117,764 9,765 1,766 1.115,767 4.919,768 380.825,769 0.077,770 27,771 192.131,773 1,774 27.85,775 11.809,776 6.55,777 1.904,778 162.049,779 16.079,780 4.549,783 2.534,784 42.806,785 706.451,786 54.5,788 -3.78,789 37.855,790 0.273,793 73.709,794 82.026,795 0.257,796 0.594,797 0.791,798 0.879,799 0.883,800 0.883,801 5.29,802 2.08,803 6.236,804 6.276,805 4.828,806 5.293,807 3.492,808 7.104,809 4.737,810 6.511,811 1.677,812 7.841,813 5.943,814 4.635,815 5.345,816 1.404,817 8.417,818 4.47,819 7.856,820 1.438,821 9.561,822 4.957,823 6.547,824 7.558,825 5.225,826 11.414,827 6.351,828 9.242,829 1.4,830 11.354,831 3.271,832 7.171,833 8.445,834 2.988,835 13.541,836 6.895,837 10.666,838 1.259,839 13.195,840 3.097,841 8.601,842 10.21,843 7.254,844 16.169,845 8.294,846 12.116,847 1.114,848 15.069,849 2.966,850 9.563,851 11.456,852 4.492,853 18.563,854 9.183,855 13.586,856 1,857 16.968,858 2.782,859 10.832,860 13.071,861 9.374,862 21.106,863 10.417,864 3.399,865 1,866 18.884,867 2.372,868 11.935,869 14.475,870 5.941,871 23.587,872 11.458,873 3.361,874 12.668,875 20.813,876 2.275,877 13.152,878 16.035,879 11.522,880 26.113,881 12.637,882 3.073,883 12.527,884 22.752,885 4.7,886 14.313,887 17.509,888 7.356,889 28.623,890 13.745,891 2.757,892 10.315,893 24.699,894 4.469,895 15.517,896 19.049,897 13.679,898 31.149,899 14.911,900 2.497,901 8.639,902 26.652,903 3.44,904 16.703,905 20.555,906 8.749,907 33.671,908 16.052,909 2.289,910 7.068,911 28.61,912 3.362,913 17.906,914 22.089,915 15.84,916 36.198,917 17.217,918 2.161,919 6.646,920 30.572,921 3.008,922 19.104,923 23.609,924 10.13,925 38.725,926 18.376,927 25803,928 42365,929 28.602,930 48.023,931 64.357,932 70.376,933 66.849,934 64.428,935 64.246,936 80.255,937 16.921,938 191.033,939 61.422,940 5.853,941 7.252,942 6.993,943 5.474,944 5.399,945 7.7,946 5.9,947 20.059,948 5.325,949 19.033,950 1.497,951 1.637,952 1.555,953 1.498,954 1.494,955 1.866,956 0.394,957 4.443,958 1.428,959 4.124,960 4.129,961 4.743,962 4.116,963 7.714,964 4.042,965 4.057,966 4.056,967 4.043,968 4.009,969 7.455,970 3.983,971 3.931,972 3.958,973 3.837,974 3.802,975 6.999,976 3.798,977 3.734,978 3.758,979 3.722,980 3.621,981 6.464,982 3.593,983 3.584,984 3.599,985 3.556,986 3.445,987 4.994,988 3.438,989 3.527,990 3.572,991 3.428,992 3.386,993 4.843,994 3.381,995 3.458,996 3.479,997 3.359,998 3.207,999 4.804,1000 3.219,1001 3.263,1002 3.318,1003 3.139,1004 3.091,1005 4.404,1006 3.087,1007 0.113,1008 0.122,1009 0.17,1010 0.101,1011 0.079,1012 4.853,1013 0.109,1014 5.252,1015 0.069,1016 7.311,1017 0.295,1018 4.352,1019 0.077,1020 3.399,1021 4.7,1022 2.95,1023 12.668,1024 3.325,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.523,1030 2.135,1031 1.984,1032 1.997,1033 2.093,1034 2.065,1035 1.314,1036 2.1,1037 1.882,1038 1.842,1039 1.972,1040 2.003,1041 1.27,1042 2.029,1043 1.646,1044 1.629,1045 1.785,1046 1.827,1047 1.061,1048 1.827,1049 1.545,1050 1.501,1051 1.748,1052 1.678,1053 0.958,1054 1.704,1055 1.399,1056 1.35,1057 1.691,1058 1.658,1059 0.837,1060 1.669,1061 1.354,1062 1.34,1063 1.543,1064 1.576,1065 0.825,1066 1.583,1067 1.239,1068 1.182,1069 1.513,1070 1.47,1071 0.798,1072 1.473,1073 4.466,1074 5.814,1075 2.398,1076 7.354,1077 4.595,1078 8.979,1079 6.581,1080 10.647,1081 1.935,1082 10.208,1083 4.5,1085 17.504,1087 -0.696,1088 0.489,1089 -0.519,1091 45.662,1092 116.351,1093 268.457,1094 357.354,1095 397.102,1096 399.102,1097 399.102,1098 103.099,1099 8.371,1100 115.26,1101 123.64,1102 29,1103 12.919,1104 4.392,1105 3.644,1106 61.758,1107 218,1108 191,1109 0.133,1110 278.328,1111 494.04,1112 670.88,1113 63147,1114 27.46,1115 0.704,1116 0.585,1117 27.71,1118 22.808,1119 18.767,1120 0.436,1121 0.347,1122 13.231,1123 17.18,1124 12.804,1125 10.487,1126 19.588,1127 14.934,1128 17.565,1129 0.283,1130 0.201,1131 18.865,1132 12.442,1133 14.584,1134 0.182,1135 0.119,1136 15.675,1137 9.501,1138 11.74,1139 0.116,1140 0.071,1141 12.777,1142 7.169,1143 9.49,1144 0.075,1145 0.042,1146 10.467,1147 5.321,1148 0.216,1149 126.779,1150 0.187,1151 35.802,1152 0.347,1153 210,1154 652.714,1155 270.268,1156 629.325,1157 841.25,1158 584,1159 247,1160 579.903,1161 314.451,1162 610.405,1163 889.03,1164 572,1165 5.959} {0 CHEMBL431226,1 1.611,2 14.921,3 2.889,4 8.349,5 140.273,6 7.724,7 0.405,8 4.356,9 4.444,10 4.056,11 3.907,12 5.415,13 3.871,14 4.949,15 5.086,16 4.393,17 4.318,18 6.107,19 4.275,20 5.257,21 5.434,22 4.475,23 4.498,24 6.34,25 4.422,26 5.354,27 5.55,28 4.462,29 4.538,30 6.388,31 4.43,32 5.409,33 5.635,34 4.441,35 4.506,36 6.527,37 4.388,38 5.34,39 5.563,40 4.344,41 4.389,42 6.582,43 4.297,44 5.131,45 5.315,46 4.307,47 4.311,48 6.298,49 4.24,50 5.118,51 5.307,52 4.271,53 4.283,54 6.366,55 4.183,56 0.173,57 0.98,58 16.95,59 7.616,60 26.076,61 8.708,62 0.609,63 1.629,64 31.873,65 12.732,66 76.017,67 15.064,68 0.899,69 2.115,70 47.517,71 16.694,72 119.853,73 20.168,74 0.969,75 2.28,76 53.863,77 18.876,78 120.772,79 23.004,80 1.156,81 2.323,82 62.176,83 20.147,84 178.683,85 25.231,86 1.516,87 2.054,88 56.468,89 17.784,90 223.366,91 22.158,92 0.972,93 1.772,94 43.122,95 14.596,96 127.987,97 17.677,98 1.22,99 1.747,100 40.334,101 14.416,102 131.134,103 17.97,104 28,105 61,106 0.251,107 0.581,108 0.765,109 0.838,110 0.842,111 0.842,112 3.668,113 1.032,114 -3.62,115 -3.59,116 -3.42,117 40,118 1,119 4,120 1,123 4,124 1,125 1,133 9,134 2,135 2,136 2,140 1,144 1,147 12,149 3,150 12,154 13,157 17,158 1,160 1,161 10,163 2,164 13,166 2,167 7,169 1,170 11,171 2,173 2,174 11,176 6,177 9,181 2,182 13,185 4,187 2,188 2,189 16,191 7,192 7,197 12,200 10,201 1,204 2,206 2890,207 25.532,208 25.532,209 25.532,210 25.532,211 25.532,212 23.157,213 24.853,214 14.688,215 26.196,216 20.617,217 20.617,218 20.617,219 20.617,220 20.617,221 16.908,222 25.724,223 6.813,224 21.652,225 4.518,226 2.4,227 1.218,228 0.754,229 0.725,230 0.725,231 4.369,233 1245,234 4.743,235 128.853,236 524.331,238 207.498,239 2.359,240 59.488,241 0.75,242 0.67,243 0.83,244 0.9,245 0.5,246 0.83,247 1,248 0.78,249 84,250 567,251 4.855,252 5.252,253 7.317,254 4.36,255 3.414,256 4.701,257 2.95,258 12.674,259 3.33,260 4.529,261 4.152,262 7.208,263 4.269,264 3.357,265 4.469,266 1.971,267 12.557,268 3.025,269 4.366,270 3.838,271 6.531,272 4.057,273 3.073,274 3.441,275 1.392,276 10.315,277 2.956,278 3.946,279 3.203,280 6.418,281 3.841,282 2.878,283 3.366,284 1.151,285 9.781,286 2.739,287 3.862,288 2.948,289 5.389,290 3.438,291 2.499,292 3.008,293 0.532,294 7.069,295 2.331,296 3.573,297 2.785,298 5.202,299 3.143,300 2.161,301 2.938,302 0.466,303 6.279,304 2.123,305 3.475,306 2.655,307 5.051,308 3.048,309 2.081,310 2.854,312 5.943,313 2.006,314 3.126,315 2.48,316 5.016,317 3.013,318 2.036,319 2.331,320 5.685,321 1.981,322 3.116,323 2.341,324 4.816,325 2.618,326 1.669,327 2.137,328 4.957,329 1.568,330 2.889,331 2.244,332 3.94,333 2.393,334 1.426,335 2.077,336 3.104,337 1.389,338 2.513,339 1.852,340 3.863,341 2.349,342 1.4,343 1.518,344 3.082,345 1.302,346 2.5,347 1.478,348 3.802,349 2.1,350 1.122,351 1.5,352 2.79,353 1.093,354 2.468,355 1.457,356 3.715,357 2,358 1,359 1.446,360 2.421,361 1,362 2.257,363 1.412,364 3.618,365 2,366 1,367 1.111,368 2.372,369 1,370 2,371 1.275,372 3.604,373 1.977,374 0.969,375 1,376 2.275,377 0.967,378 17.967,379 0.473,380 1.06,381 0.028,382 45.5,383 1.197,384 21,385 0.553,386 24.5,387 0.645,388 39.078,389 1.028,390 42.633,391 0.609,392 39.138,393 1.03,394 8.586,395 0.226,396 9.697,397 0.255,398 0.102,399 0.074,400 0.245,401 0.655,402 1.26,403 0.814,404 1.215,405 0.667,406 1.003,407 0.908,408 1.133,409 0.955,410 1.073,411 0.623,412 0.987,413 1.16,414 1.045,415 1.119,416 1.038,417 0.865,418 1.02,419 1.094,420 1.1,421 1.159,422 1.127,423 1.094,424 1.128,425 0.914,426 1.008,427 1.096,428 1.114,429 1.092,430 1.008,431 1.141,432 0.79,433 1.006,434 0.834,435 1.39,436 0.84,437 1.174,438 1.009,439 1.037,440 1.01,441 1.367,442 0.991,443 0.863,444 0.982,445 0.976,446 0.98,447 1.012,448 1.078,449 9.5,450 0.218,451 5.333,452 2.632,453 2.592,454 1.767,455 0.94,456 0.641,457 0.593,458 0.416,459 25321,460 69138,461 2.084,462 45.7,463 4,464 18,466 1,467 1,468 3,469 1,470 4,471 1.785,472 1.949,473 3.785,474 -0.348,477 112.792,478 1.611,479 3.729,480 4.911,481 5.376,482 5.404,483 5.404,484 3.255,485 4.577,486 5.221,487 4.056,488 2851.66,489 9.178,490 49010.8,493 429.05,494 1.557,495 5.169,496 0.226,497 0.006,498 0.087,499 0.042,500 0.045,501 0.032,502 0.017,503 0.012,504 0.013,505 0.011,506 0.491,507 0.33,508 0.63,509 0.799,510 213.547,511 0.063,512 -0.058,513 0.167,514 -0.023,515 -0.075,516 0.026,517 0.048,518 -0.03,519 0.006,520 -0.009,521 0.112,522 -0.002,523 -0.137,524 0.001,525 -0.101,526 -0.004,527 -0.014,528 -0.042,529 -0.112,530 -0.082,531 -0.122,532 -0.092,533 -0.102,534 -0.139,535 0.036,536 -0.033,537 0.015,538 -0.064,539 0.038,540 -0.001,541 0.049,542 0.134,543 0.043,544 0.135,545 0.041,546 0.131,547 -0.059,548 -0.019,549 -0.038,550 -0.009,551 -0.133,552 -0.018,553 0.21,554 0.009,555 -0.015,556 -0.009,557 0.084,558 -0.109,559 4.713,560 6.279,561 0.684,562 47.418,563 1.012,564 1.123,565 2.39,566 5.712,567 0.661,568 3.761,569 4.127,570 4.394,571 4.635,572 4.86,573 4.92,574 5.004,575 5.1,576 5.193,577 5.176,578 8.9,579 0.631,580 540.69,581 3.761,582 5.333,583 6.192,584 7.089,585 7.965,586 8.863,587 9.744,588 10.642,589 11.525,590 12.423,591 2.9,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 70,609 20,610 2,611 42,612 74,613 28,614 15,615 4,616 8,618 5,619 6,621 1,623 5,624 1,625 6,627 16,628 12,629 1,630 3,632 1,633 3,634 1,639 32,640 9,641 1,642 10,643 1,644 2,646 0.6,647 7,648 1,650 1,651 4,653 1,663 1,665 1,666 2,667 3,669 1,670 1,671 38,672 1,674 1,675 8,677 3,679 2,680 1,681 1,684 10,685 1,687 3,688 2,689 1,690 19.5,691 12.517,692 8.236,693 4.218,694 3.422,695 1.41,696 0.952,697 7.918,698 11.765,699 3.998,700 4.595,701 5.101,702 5.62,703 6.148,704 6.388,705 6.67,706 6.939,707 7.338,708 7.437,709 0.9,710 63,711 14.504,712 6.707,713 7.904,714 27.059,715 23.288,716 2.404,717 91.333,719 364.904,720 153.421,721 16.786,722 145.263,723 6.046,724 147.375,725 510.167,726 16.786,727 8.825,728 24.815,729 134.138,730 131.01,731 28.453,733 353.133,734 364.904,735 164.161,736 145.263,737 6.046,738 306.049,739 139.313,740 64.805,741 38.541,742 108.834,743 22.831,745 364.904,746 162.049,747 153.421,748 6.046,749 364.904,750 42.269,751 105.107,753 162.049,754 364.904,755 162.049,756 153.421,757 0.591,758 0.349,759 0.182,760 0.1,761 30,762 13,763 0.108,764 8,765 1,766 1.115,767 4.794,768 373.017,769 0.077,770 27,771 185.421,773 1,774 26.888,775 11.19,776 5.994,777 1.901,778 162.049,779 16.058,780 4.546,783 2.522,784 42.806,785 680.374,786 53.5,788 -3.797,789 37.967,790 0.272,793 70.825,794 78.61,795 0.263,796 0.608,797 0.801,798 0.877,799 0.882,800 0.882,801 5.274,802 2.036,803 6.229,804 5.943,805 4.812,806 5.283,807 3.492,808 7.111,809 4.719,810 6.5,811 1.669,812 7.843,813 5.685,814 4.635,815 5.345,816 1.404,817 8.445,818 4.47,819 7.851,820 1.426,821 9.572,822 4.957,823 6.544,824 7.557,825 5.225,826 11.452,827 6.347,828 9.241,829 1.4,830 11.374,831 3.104,832 7.186,833 8.449,834 2.988,835 13.585,836 6.913,837 10.669,838 1.122,839 13.224,840 3.082,841 8.615,842 10.213,843 7.254,844 16.217,845 8.31,846 12.123,847 1,848 15.105,849 2.79,850 9.589,851 11.46,852 4.492,853 18.608,854 9.215,855 13.595,856 1,857 17.008,858 2.421,859 10.859,860 13.073,861 9.374,862 21.151,863 10.449,864 3.414,865 0.969,866 18.927,867 2.372,868 11.968,869 14.478,870 5.941,871 23.627,872 11.499,873 3.357,874 12.674,875 20.859,876 2.275,877 13.187,878 16.037,879 11.522,880 26.151,881 12.679,882 3.073,883 12.557,884 22.799,885 4.701,886 14.351,887 17.511,888 7.356,889 28.658,890 13.792,891 2.878,892 10.315,893 24.746,894 4.469,895 15.556,896 19.051,897 13.679,898 31.182,899 14.958,900 2.499,901 9.781,902 26.699,903 3.441,904 16.743,905 20.556,906 8.749,907 33.702,908 16.101,909 2.161,910 7.069,911 28.656,912 3.366,913 17.947,914 22.09,915 15.84,916 36.228,917 17.266,918 2.081,919 6.279,920 30.617,921 3.008,922 19.146,923 23.61,924 10.13,925 38.754,926 18.425,927 23512,928 39053,929 27.909,930 46.262,931 63.271,932 69.172,933 65.749,934 63.039,935 62.895,936 78.908,937 16.921,938 188.796,939 60.071,940 5.855,941 7.252,942 6.999,943 5.484,944 5.414,945 7.701,946 5.9,947 20.093,948 5.33,949 18.645,950 1.506,951 1.647,952 1.565,953 1.501,954 1.497,955 1.879,956 0.403,957 4.495,958 1.43,959 4.126,960 4.13,961 4.743,962 4.118,963 7.714,964 4.043,965 4.058,966 4.06,967 4.043,968 4.009,969 7.455,970 3.985,971 3.922,972 3.945,973 3.836,974 3.791,975 6.999,976 3.79,977 3.715,978 3.73,979 3.72,980 3.603,981 6.464,982 3.569,983 3.565,984 3.589,985 3.532,986 3.443,987 4.994,988 3.435,989 3.521,990 3.55,991 3.428,992 3.349,993 4.842,994 3.35,995 3.409,996 3.445,997 3.293,998 3.131,999 4.804,1000 3.156,1001 3.262,1002 3.318,1003 3.139,1004 3.088,1005 4.404,1006 3.086,1007 0.116,1008 0.125,1009 0.174,1010 0.104,1011 0.081,1012 4.855,1013 0.112,1014 5.252,1015 0.07,1016 7.317,1017 0.302,1018 4.36,1019 0.079,1020 3.414,1021 4.701,1022 2.95,1023 12.674,1024 3.33,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.523,1030 2.135,1031 1.988,1032 2,1033 2.08,1034 2.071,1035 1.277,1036 2.104,1037 1.868,1038 1.831,1039 1.968,1040 1.989,1041 1.26,1042 2.011,1043 1.596,1044 1.592,1045 1.749,1046 1.774,1047 0.999,1048 1.778,1049 1.54,1050 1.498,1051 1.691,1052 1.677,1053 0.958,1054 1.701,1055 1.399,1056 1.34,1057 1.686,1058 1.658,1059 0.832,1060 1.669,1061 1.305,1062 1.289,1063 1.541,1064 1.572,1065 0.825,1066 1.559,1067 1.229,1068 1.178,1069 1.513,1070 1.452,1071 0.708,1072 1.471,1073 4.443,1074 5.796,1075 2.398,1076 7.345,1077 4.595,1078 8.98,1079 6.581,1080 10.659,1081 1.933,1082 10.268,1083 3.376,1085 17.463,1087 -1.06,1088 0.495,1089 -0.613,1091 44.135,1092 112.792,1093 261.063,1094 343.766,1095 376.295,1096 378.295,1097 378.295,1098 100.105,1099 8.343,1100 115.26,1101 123.64,1102 29,1103 12.949,1104 4.392,1105 3.644,1106 59.363,1107 205,1108 174,1109 0.138,1110 268.736,1111 476.74,1112 647.475,1113 59282,1114 26.753,1115 0.704,1116 0.582,1117 27.003,1118 22.101,1119 18.284,1120 0.435,1121 0.344,1122 12.748,1123 16.699,1124 12.337,1125 10.091,1126 19.105,1127 14.451,1128 17.127,1129 0.281,1130 0.197,1131 18.427,1132 12.013,1133 14.379,1134 0.18,1135 0.116,1136 15.456,1137 9.266,1138 11.684,1139 0.115,1140 0.07,1141 12.729,1142 7.114,1143 9.494,1144 0.074,1145 0.042,1146 10.567,1147 5.322,1148 0.222,1149 123.88,1150 0.189,1151 34.9,1152 0.361,1153 206,1154 648.714,1155 266.268,1156 625.041,1157 836.01,1158 580,1159 244,1160 576.903,1161 311.618,1162 607.021,1163 885.73,1164 569,1165 6.658} {0 CHEMBL496942,1 1.496,2 13.531,3 4.729,4 22.367,5 120.963,6 8.163,7 0.514,8 4.05,9 4.143,10 3.69,11 3.663,12 5.284,13 3.653,14 4.537,15 4.674,16 4.053,17 4.044,18 5.822,19 4.015,20 4.777,21 4.924,22 4.163,23 4.191,24 6.023,25 4.151,26 4.906,27 5.09,28 4.077,29 4.126,30 6.251,31 4.08,32 4.768,33 4.958,34 3.963,35 4.036,36 6.025,37 3.98,38 4.708,39 4.908,40 3.888,41 3.969,42 5.938,43 3.916,44 4.576,45 4.729,46 3.841,47 3.964,48 5.821,49 3.901,50 4.624,51 4.821,52 3.816,53 3.951,54 5.773,55 3.877,56 0.054,57 0.664,58 8.35,59 4.506,60 12.836,61 5.182,62 0.377,63 1.113,64 15.8,65 7.28,66 37.39,67 8.952,68 0.144,69 1.356,70 20.658,71 9.888,72 34.888,73 11.941,74 0.641,75 1.532,76 28.301,77 10.615,78 111.938,79 12.236,80 0.309,81 1.319,82 24.162,83 9.99,84 61.686,85 12.191,86 0.395,87 1.231,88 24.078,89 9.422,90 85.15,91 11.375,92 0.349,93 1.085,94 18.035,95 8.067,96 57.185,97 9.428,98 0.219,99 1.161,100 20.532,101 8.821,102 42.425,103 11.186,104 27,105 49,106 0.245,107 0.567,108 0.724,109 0.834,110 0.855,111 0.855,112 3.502,113 0.859,114 -5.58,115 -5.45,116 -5.09,117 50,119 1,122 1,123 1,132 2,133 12,134 5,135 1,140 2,141 1,143 1,146 1,147 20,148 1,149 4,150 6,151 1,152 1,154 23,155 2,157 8,160 2,161 18,162 2,163 2,164 14,166 2,167 11,168 1,170 15,173 1,174 12,177 10,178 1,182 15,184 1,185 7,187 1,189 18,192 4,193 3,197 16,198 1,199 3,200 8,201 3,203 1,204 11,205 1,206 1946,207 21.482,208 21.482,209 21.482,210 21.482,211 21.482,212 18.692,213 24.356,214 12.6,215 21.649,216 17.22,217 17.22,218 17.22,219 17.22,220 17.22,221 12.916,222 28.55,223 5.97,224 17.447,225 4.205,226 2.239,227 1.279,228 0.606,229 0.476,230 0.476,231 4.196,232 1,233 929,234 3.464,236 401.765,238 151.771,239 2.314,240 40.483,241 0.75,242 1,243 1,244 0.6,246 1,247 1,248 0.76,249 69,250 433,251 4.569,252 3.984,253 6.954,254 4.274,255 3.307,256 4.135,257 1.766,258 11.635,259 3.198,260 4.173,261 3.576,262 6.067,263 3.79,264 2.792,265 3.759,266 1.437,267 8.639,268 2.781,269 4.101,270 3.387,271 5.926,272 3.61,273 2.624,274 3.489,275 1.104,276 8.192,277 2.581,278 3.894,279 3.056,280 5.872,281 3.516,282 2.519,283 3.361,284 1.003,285 7.73,286 2.509,287 3.761,288 2.9,289 5.349,290 3.391,291 2.417,292 3.058,293 0.554,294 6.977,295 2.35,296 3.636,297 2.739,298 5.274,299 3.237,300 2.237,301 2.839,302 0.437,303 6.657,304 2.225,305 3.548,306 2.607,307 5.237,308 3.106,309 2.115,310 2.758,312 6.476,313 2.085,314 3.174,315 1.998,316 4.136,317 2.548,318 1.548,319 2.184,320 3.243,321 1.548,322 2.874,323 1.971,324 3.805,325 2.294,326 1.29,327 1.817,328 3.185,329 1.277,330 2.783,331 1.598,332 3.735,333 2.142,334 1.15,335 1.768,336 2.868,337 1.136,338 2.58,339 1.575,340 3.663,341 2.053,342 1.05,343 1.567,344 2.383,345 1.051,346 2.5,347 1.358,348 3.414,349 2,350 1,351 1.5,352 2.275,353 1,354 2.5,355 1.171,356 3.348,357 2,358 1,359 1.5,360 2.136,361 1,362 2.077,363 1,364 3.247,365 1.663,366 0.64,367 0.844,368 1.644,369 0.646,370 1.887,371 1,372 3.219,373 1.472,374 0.454,375 0.58,376 1.128,377 0.455,378 15.133,379 0.473,380 0.822,381 0.026,382 45,383 1.406,384 25,385 0.781,386 20,387 0.625,388 23.448,389 0.733,390 32.267,391 0.621,392 37.793,393 1.181,394 9.338,395 0.292,396 6.098,397 0.191,398 0.121,400 0.35,401 0.679,402 1.142,403 0.703,404 0.934,405 0.612,406 0.844,407 0.444,408 0.865,409 0.769,410 0.84,411 0.472,412 0.854,413 0.767,414 1.306,415 0.913,416 1.216,417 0.763,418 1.117,419 1.335,420 0.974,421 1.164,422 0.946,423 1.296,424 0.997,425 1.029,426 1.089,427 0.981,428 1.052,429 1,430 1.016,431 1.185,432 0.859,433 0.945,434 0.815,435 1.232,436 0.83,437 0.992,438 1.009,439 1.15,440 1.051,441 1.112,442 1.121,443 0.747,444 0.997,445 0.938,446 1.027,447 0.723,448 1.014,449 6,450 0.206,451 3.778,452 2.25,453 2.213,454 1.306,455 0.727,456 0.464,457 0.431,458 0.325,459 14889,460 44393,461 2.063,462 38.5,463 2,464 17,467 1,471 1.744,472 1.92,473 3.689,474 -0.403,477 77.773,478 1.496,479 3.461,480 4.421,481 5.094,482 5.224,483 5.224,484 3.234,485 4.476,486 4.962,487 3.881,488 1924.76,489 8.682,490 28590.1,491 1,493 296.423,494 1.448,495 4.925,496 0.171,497 0.007,498 0.077,499 0.042,500 0.048,501 0.031,502 0.018,503 0.012,504 0.012,505 0.009,506 0.428,507 0.17,508 0.88,509 0.731,510 169.645,511 -0.048,512 -0.107,513 0.026,514 -0.001,515 -0.068,516 0.017,517 0.264,518 0.211,519 0.052,520 0.089,521 0.119,522 0.039,523 -0.009,524 -0.311,525 -0.049,526 -0.256,527 -0.009,528 -0.181,529 -0.11,530 0.058,531 -0.148,532 0.005,533 -0.068,534 -0.058,535 -0.073,536 -0.11,537 0.008,538 -0.07,539 -0.022,540 -0.026,541 -0.135,542 0.118,543 0.08,544 0.176,545 -0.104,546 0.171,547 -0.066,548 -0.023,549 -0.249,550 -0.084,551 -0.172,552 -0.184,553 -0.02,554 -0.013,555 0.019,556 -0.039,557 -0.02,558 -0.005,559 2.698,560 6.136,561 0.688,562 40.59,563 1.009,564 1.107,565 4.35,566 18.92,567 0.705,568 3.584,569 3.912,570 4.19,571 4.419,572 4.682,573 4.754,574 4.852,575 4.99,576 5.153,577 5.187,578 7.768,579 0.685,580 424.48,581 3.584,582 5.13,583 5.984,584 6.86,585 7.732,586 8.616,587 9.498,588 10.387,589 11.276,590 12.171,591 3.8,594 2,599 12,603 6,604 18,605 1,608 52,609 22,610 3,611 35,612 55,613 26,614 18,615 6,616 12,617 2,618 4,619 5,620 1,625 1,626 2,627 21,628 3,630 3,633 3,636 3,639 20,640 6,641 1,642 6,644 2,645 1,646 0.75,647 4,651 4,653 1,654 2,665 1,667 3,670 1,671 32,674 1,675 2,680 2,682 1,683 2,684 7.7,686 1,687 3,690 16.667,691 9.85,692 7.028,693 2.974,694 4.053,695 1.511,696 0.98,697 6.072,698 11.99,699 3.912,700 4.483,701 5.045,702 5.568,703 6.11,704 6.344,705 6.712,706 7.046,707 7.445,708 7.777,709 1,710 53,711 11.872,712 5.156,713 8,714 22.018,715 17.911,716 2.5,717 80,718 1,719 223.651,720 189.388,721 6.249,722 118.118,724 189.388,725 341.769,726 6.249,727 8.396,728 10.889,729 113.715,730 123.733,731 18.685,732 38.337,733 223.651,734 223.651,735 195.636,736 118.118,738 223.651,739 118.118,741 10.889,742 150.686,743 34.061,745 223.651,746 124.367,747 189.388,749 223.651,750 33.215,751 128.36,752 34.061,753 118.118,754 223.651,755 124.367,756 189.388,757 0.585,758 0.346,759 0.177,760 0.098,761 23,762 11,763 0.073,764 4,765 1,766 1.091,767 4.326,768 289.072,769 0.091,770 22,771 152,774 21.365,775 9.095,776 4.592,778 124.367,779 21.245,783 3.548,784 42.683,785 537.405,786 49,789 36.974,792 -1.874,793 52.465,794 57.571,795 0.262,796 0.607,797 0.776,798 0.894,799 0.916,800 0.916,801 5.156,802 1.548,803 5.974,804 6.476,805 4.595,806 5.17,807 2.753,808 6.79,809 4.568,810 6.376,811 1.29,812 7.543,813 3.243,814 4.205,815 4.868,816 1.404,817 7.714,818 4.147,819 7.686,820 1.15,821 9.214,822 3.185,823 6.196,824 7.312,825 3.316,826 10.831,827 6.129,828 9.027,829 1.05,830 10.944,831 2.868,832 6.621,833 7.786,834 2.659,835 12.581,836 6.515,837 10.396,838 1,839 12.714,840 2.383,841 8.088,842 9.706,843 4.089,844 15.251,845 7.969,846 11.785,847 1,848 14.511,849 2.275,850 8.891,851 10.561,852 3.872,853 17.369,854 8.729,855 13.189,856 0.64,857 16.328,858 2.136,859 10.157,860 12.238,861 4.989,862 19.897,863 9.975,864 3.307,865 0.454,866 18.161,867 1.644,868 11.149,869 13.31,870 5.056,871 22.192,872 10.923,873 2.792,874 11.635,875 20.008,876 1.128,877 12.342,878 14.857,879 5.973,880 24.672,881 12.088,882 2.624,883 8.639,884 21.866,885 4.135,886 13.429,887 16.06,888 6.22,889 27.051,890 13.132,891 2.519,892 8.192,893 23.735,894 3.759,895 14.601,896 17.537,897 7.011,898 29.514,899 14.272,900 2.417,901 7.73,902 25.612,903 3.489,904 15.736,905 18.82,906 7.373,907 31.932,908 15.365,909 2.237,910 6.977,911 27.497,912 3.361,913 16.909,914 20.26,915 8.084,916 34.389,917 16.501,918 2.115,919 6.657,920 29.389,921 3.058,922 18.069,923 21.592,924 8.519,925 36.826,926 17.621,927 14216,928 24726,929 23.175,930 36.682,931 54.116,932 55.746,933 54.488,934 52.417,935 52.336,936 70.381,937 12.601,938 150.463,939 51.729,940 5.517,941 5.984,942 6.756,943 5.347,944 5.307,945 7.135,946 3.203,947 19.635,948 5.198,949 16.777,950 1.546,951 1.593,952 1.557,953 1.498,954 1.495,955 2.011,956 0.36,957 4.299,958 1.478,959 4.042,960 4.068,961 4.005,962 3.958,963 7.475,964 3.963,965 3.92,966 3.944,967 3.865,968 3.863,969 7.444,970 3.86,971 3.897,972 3.924,973 3.83,974 3.835,975 7.411,976 3.83,977 3.592,978 3.624,979 3.55,980 3.433,981 6.351,982 3.456,983 3.375,984 3.412,985 3.306,986 3.234,987 4.885,988 3.244,989 3.291,990 3.345,991 3.2,992 3.091,993 4.72,994 3.11,995 3.211,996 3.221,997 3.137,998 2.969,999 4.689,1000 2.999,1001 2.937,1002 2.968,1003 2.831,1004 2.767,1005 4.448,1006 2.768,1007 0.131,1008 0.114,1009 0.199,1010 0.122,1011 0.094,1012 4.569,1013 0.118,1014 3.984,1015 0.05,1016 6.954,1017 0.332,1018 4.274,1019 0.091,1020 3.307,1021 4.135,1022 1.766,1023 11.635,1024 3.198,1025 1.977,1026 1.955,1027 2.063,1028 2.088,1029 1.2,1030 2.075,1031 1.923,1032 1.899,1033 2.038,1034 2.001,1035 1.155,1036 2.015,1037 1.892,1038 1.868,1039 1.993,1040 1.976,1041 1.113,1042 1.984,1043 1.518,1044 1.485,1045 1.669,1046 1.706,1047 0.747,1048 1.692,1049 1.336,1050 1.299,1051 1.542,1052 1.54,1053 0.677,1054 1.535,1055 1.251,1056 1.187,1057 1.522,1058 1.458,1059 0.646,1060 1.486,1061 1.082,1062 1.064,1063 1.217,1064 1.373,1065 0.261,1066 1.312,1067 0.886,1068 0.83,1069 1.181,1070 1.118,1071 0.218,1072 1.114,1073 4.263,1074 5.587,1076 7.114,1078 8.735,1080 10.411,1081 1.62,1082 9.041,1083 0.647,1088 2.586,1090 6.213,1091 35.643,1092 77.773,1093 179.977,1094 229.894,1095 264.913,1096 271.668,1097 271.668,1098 72.203,1099 7.937,1100 81.3,1101 81.3,1102 24,1103 12.698,1104 4.524,1105 3.907,1106 51.973,1107 145,1108 162,1109 0.171,1110 219.188,1111 396.42,1112 526.578,1113 32923,1114 22.665,1115 0.708,1116 0.544,1117 22.665,1118 17.409,1119 15.436,1120 0.441,1121 0.286,1122 9.912,1123 14.98,1124 9.645,1125 8.02,1126 15.436,1127 10.025,1128 13.943,1129 0.285,1130 0.152,1131 13.943,1132 7.431,1133 11.984,1134 0.184,1135 0.081,1136 11.984,1137 5.261,1138 9.491,1139 0.116,1140 0.043,1141 9.491,1142 3.513,1143 7.795,1144 0.073,1145 0.022,1146 7.795,1147 2.4,1148 0.272,1149 96.082,1150 0.208,1151 30.276,1152 0.458,1153 168,1154 526.647,1155 182.185,1156 513.642,1157 689.38,1158 476,1159 198,1160 494.63,1161 212.301,1162 506.484,1163 738.69,1164 474,1165 4.523} {0 CHEMBL523034,1 1.762,2 11.586,3 3.093,4 9.564,5 102.636,6 8.581,7 0.484,8 4.015,9 4.091,10 3.817,11 3.537,12 5.21,13 3.53,14 4.547,15 4.666,16 4.144,17 3.921,18 6.017,19 3.904,20 4.776,21 4.917,22 4.222,23 4.085,24 6.057,25 4.039,26 4.942,27 5.119,28 4.286,29 4.081,30 6.231,31 4.045,32 4.869,33 5.007,34 4.174,35 3.979,36 6.512,37 3.951,38 4.722,39 4.886,40 3.931,41 3.881,42 6.035,43 3.843,44 4.59,45 4.754,46 3.882,47 3.782,48 5.905,49 3.727,50 4.582,51 4.776,52 3.748,53 3.63,54 5.891,55 3.597,56 0.224,57 0.705,58 10.885,59 4.911,60 29.273,61 5.027,62 0.778,63 1.093,64 18.989,65 8.123,66 101.698,67 9.063,68 0.737,69 1.361,70 26.842,71 10.57,72 90.41,73 11.369,74 1.081,75 1.481,76 36.962,77 11.398,78 144.226,79 12.21,80 1.552,81 1.282,82 36.725,83 11.166,84 244.71,85 11.302,86 0.857,87 1.142,88 24.526,89 9.176,90 125.432,91 10.201,92 0.703,93 1.04,94 22.702,95 8.686,96 65.713,97 9.967,98 0.836,99 0.959,100 24.147,101 7.736,102 96.62,103 9.491,104 83,105 46,106 0.295,107 0.664,108 0.791,109 0.858,110 0.858,111 0.858,112 3.408,113 0.984,114 -2.18,115 -2.22,116 -2.2,117 38.8,118 2,120 1,122 1,124 1,133 6,134 2,135 2,138 2,140 1,141 1,143 1,146 1,147 7,149 2,150 4,151 5,152 3,153 1,154 8,155 1,157 8,158 1,159 1,160 7,161 7,162 2,164 11,165 2,166 4,167 5,169 4,170 10,171 4,173 2,174 5,175 2,177 6,181 5,182 6,183 1,184 2,185 8,186 1,188 3,189 3,190 1,191 1,192 9,194 1,196 2,197 3,198 1,200 1,201 2,202 1,203 1,204 4,205 2,206 1261,207 18.635,208 18.635,209 18.635,210 18.635,211 18.635,212 16.4,213 14.707,214 10.543,215 19.032,216 15.2,217 15.2,218 15.2,219 15.2,220 15.2,221 11.545,222 15.553,223 4.902,224 15.733,225 3.853,226 1.655,227 0.893,228 0.495,229 0.495,230 0.495,231 4.08,232 1,233 690,234 4.899,235 51.745,236 142.477,237 204.771,239 2.152,240 53.151,241 1,242 0.83,243 1,244 0.8,246 0.83,247 1,248 0.78,249 66,250 336,251 4.879,252 4.689,253 7.321,254 4.355,255 3.423,256 4.862,257 2.374,258 12.581,259 3.24,260 4.68,261 3.757,262 6.759,263 4.179,264 3.189,265 4.636,266 2.186,267 11.114,268 3.086,269 3.978,270 3.642,271 6.257,272 3.784,273 2.804,274 3.549,275 0.366,276 9.018,277 2.727,278 3.926,279 3.204,280 5.666,281 3.541,282 2.578,283 3.097,284 0.159,285 7.667,286 2.479,287 3.661,288 2.516,289 5.368,290 3.212,291 2.232,292 3.007,294 6.792,295 2.17,296 3.352,297 2.448,298 4.946,299 2.89,300 1.913,301 2.666,303 5.463,304 1.854,305 3.257,306 2.085,307 4.773,308 2.755,309 1.758,310 2.563,312 5.155,313 1.751,314 3.035,315 1.77,316 4.683,317 2.738,318 1.732,319 2.257,320 4.577,321 1.722,322 2.972,323 1.622,324 4.414,325 2.524,326 1.531,327 1.972,328 4,329 1.516,330 2.558,331 1.461,332 3.831,333 2.06,334 1.063,335 1.582,336 2.813,337 1.058,338 1.941,339 1.177,340 3.462,341 1.614,342 0.648,343 0.737,344 1.617,345 0.617,346 1.845,347 1.044,348 3.173,349 1.478,350 0.521,351 0.685,352 1.219,353 0.491,354 1.504,355 0.657,356 2.894,357 1.216,358 0.318,359 0.371,360 0.5,361 0.284,362 1.215,363 0.471,364 2.792,365 0.772,366 -0.227,367 -0.304,368 -0.55,369 -0.222,370 1,371 0.333,372 2.414,373 0.406,374 -0.575,375 -0.754,376 -1.689,377 -0.552,378 13.467,379 0.464,380 1.054,381 0.036,382 37,383 1.276,384 18.5,385 0.638,386 18.5,387 0.638,388 24.466,389 0.844,390 32.733,391 0.668,392 32.47,393 1.12,394 7.252,395 0.25,396 6.366,397 0.22,398 0.235,399 0.062,400 0.371,401 0.721,402 1.313,403 0.793,404 1.26,405 0.702,406 0.942,407 0.573,408 0.985,409 0.752,410 0.905,411 0.457,412 0.849,413 0.922,414 1.191,415 1.088,416 1.153,417 0.867,418 1.052,419 1.2,420 0.965,421 1.083,422 1.021,423 1.234,424 0.913,425 1.194,426 0.904,427 1.381,428 1.088,429 1.31,430 0.956,431 1.233,432 1.011,433 0.94,434 0.905,435 1.366,436 1.027,437 0.808,438 1.2,439 0.985,440 1.199,441 0.782,442 1.15,443 0.947,444 1.019,445 0.827,446 0.959,447 0.937,448 0.96,449 8.5,450 0.194,451 4.222,452 3.014,453 1.937,454 1.174,455 0.883,456 0.583,457 0.438,458 0.32,459 9775,460 36044,461 1.946,462 40.8,463 6,464 10,467 3,469 1,471 1.719,472 1.749,473 3.461,474 0.994,475 1,476 1,477 86.32,478 1.762,479 3.96,480 4.721,481 5.12,482 5.12,483 5.12,484 2.957,485 4.349,486 4.824,487 3.677,488 1492.94,489 8.402,490 20039.9,491 1,492 1,493 275.121,494 1.739,495 4.736,496 0.274,497 0.01,498 0.092,499 0.063,500 0.042,501 0.027,502 0.025,503 0.018,504 0.015,505 0.015,506 0.58,507 0.33,508 1,509 1.718,510 147.302,511 -0.036,512 -0.091,513 0.167,514 -0.062,515 -0.136,516 0.037,517 0.267,518 0.122,519 0.134,520 0.128,521 0.262,522 0.111,523 -0.094,524 -0.1,525 -0.079,526 -0.06,527 -0.061,528 -0.065,529 -0.206,530 0.066,531 0.015,532 0.019,533 -0.182,534 0.059,535 0.056,536 0.079,537 -0.183,538 0.025,539 0.103,540 -0.001,541 -0.233,542 -0.067,543 -0.096,544 0.002,545 -0.238,546 -0.063,547 0.057,548 -0.211,549 -0.03,550 -0.183,551 0.012,552 -0.144,553 0.032,554 -0.11,555 0.089,556 -0.056,557 -0.007,558 0.034,559 4.987,560 5.641,561 0.448,562 31.22,563 1.031,564 1.125,565 0.948,566 0.898,567 0.667,568 3.466,569 3.85,570 4.094,571 4.357,572 4.605,573 4.718,574 4.963,575 5.147,576 5.204,577 5.323,578 6.855,579 0.653,580 420.48,581 3.466,582 5.043,583 5.9,584 6.808,585 7.692,586 8.603,587 9.501,588 10.414,589 11.32,590 12.235,591 4.1,592 1,594 1,598 4,599 6,602 1,603 2,604 15,606 1,608 49,609 19,610 2,611 31,612 51,613 19,614 12,615 6,616 6,618 3,619 6,621 2,625 1,627 14,628 5,629 1,630 4,632 1,633 4,636 2,637 1,638 1,639 20,640 9,641 3,642 10,643 1,644 2,646 0.333,647 7,650 1,651 2,652 2,658 1,665 1,667 1,669 1,670 3,671 29,673 1,674 1,676 2,677 1,679 2,684 14.3,686 1,687 4,689 2,690 16.583,691 9.533,692 6.264,693 2.71,694 3.417,695 1.447,696 0.941,697 5.959,698 11.066,699 3.773,700 4.457,701 5.026,702 5.687,703 6.336,704 6.83,705 7.445,706 7.963,707 8.257,708 8.651,709 0.875,710 48,711 11.111,712 5.205,713 8.29,714 19.591,715 16.136,716 2.79,717 80.917,718 1,719 200.109,720 117.997,721 34.416,722 157.793,723 5.807,724 112.189,725 357.902,726 34.416,727 28.533,728 18.011,729 79.07,730 138.196,731 29.961,732 16.435,733 200.109,734 200.109,735 146.605,736 157.793,737 5.807,738 188.338,739 169.564,741 52.066,742 94.539,743 5.807,745 200.109,746 192.209,747 117.997,748 5.807,749 200.109,750 26.798,751 85.391,752 34.416,753 157.793,754 200.109,755 192.209,756 117.997,757 0.6,758 0.343,759 0.172,760 0.095,761 22,762 12,763 0.137,764 7,765 2,766 1.308,767 3.835,768 255.233,769 0.308,770 13,771 136.881,773 1,774 21.272,775 8.124,776 4.434,777 2.139,778 192.209,779 9.239,782 5.722,783 0.385,784 77.099,785 510.314,786 42.5,788 -4.07,789 47.994,792 -1.867,793 50.524,794 55.119,795 0.314,796 0.705,797 0.841,798 0.912,799 0.912,800 0.912,801 5.042,802 1.732,803 5.958,804 5.155,805 4.533,806 5.145,807 2.925,808 6.849,809 4.47,810 6.318,811 1.531,812 7.583,813 4.577,814 4.443,815 5.38,816 2.665,817 8.082,818 4.325,819 7.694,820 1.063,821 9.315,822 4,823 6.256,824 7.55,825 4.277,826 11.125,827 6.114,828 9.11,829 0.648,830 11.109,831 2.813,832 6.919,833 8.562,834 4.606,835 13.151,836 6.706,837 10.558,838 0.521,839 12.945,840 1.617,841 8.309,842 10.327,843 5.805,844 15.802,845 8.072,846 12.031,847 0.318,848 14.809,849 1.219,850 9.284,851 11.664,852 6.388,853 18.128,854 8.978,855 13.523,856 -0.227,857 16.695,858 0.5,859 10.537,860 13.296,861 7.408,862 20.668,863 10.197,864 3.423,865 -0.575,866 18.598,867 -0.55,868 11.643,869 14.768,870 8.115,871 23.107,872 11.24,873 3.189,874 12.581,875 20.514,876 -1.689,877 12.853,878 16.354,879 9.048,880 25.619,881 12.408,882 2.804,883 11.114,884 22.441,885 4.862,886 14.015,887 17.881,888 9.821,889 28.102,890 13.511,891 2.578,892 9.018,893 24.377,894 4.636,895 15.216,896 19.452,897 10.712,898 30.611,899 14.664,900 2.232,901 7.667,902 26.32,903 3.549,904 16.402,905 21.001,906 11.519,907 33.111,908 15.794,909 1.913,910 6.792,911 28.268,912 3.097,913 17.604,914 22.568,915 12.389,916 35.623,917 16.945,918 1.758,919 5.463,920 30.222,921 3.007,922 18.802,923 24.128,924 13.216,925 38.134,926 18.088,927 9875,928 19083,929 19.304,930 32.693,931 47.529,932 50.058,933 50.084,934 47.361,935 47.42,936 63.969,937 10.171,938 145.032,939 45.993,940 5.764,941 6.689,942 6.873,943 5.425,944 5.423,945 7.862,946 4.076,947 20.096,948 5.24,949 20.04,950 1.533,951 1.615,952 1.616,953 1.528,954 1.53,955 2.064,956 0.328,957 4.678,958 1.484,959 4.226,960 4.221,961 4.739,962 4.169,963 7.717,964 4.152,965 3.964,966 3.946,967 4.138,968 3.915,969 7.474,970 3.835,971 3.732,972 3.769,973 3.646,974 3.604,975 7.435,976 3.603,977 3.589,978 3.593,979 3.591,980 3.45,981 6.999,982 3.412,983 3.425,984 3.444,985 3.378,986 3.141,987 6.351,988 3.189,989 3.277,990 3.285,991 3.156,992 2.986,993 5.178,994 3.021,995 3.121,996 3.172,997 3.021,998 2.899,999 4.563,1000 2.915,1001 2.944,1002 3.009,1003 2.808,1004 2.788,1005 4.455,1006 2.774,1007 0.157,1008 0.151,1009 0.236,1010 0.14,1011 0.11,1012 4.879,1013 0.157,1014 4.689,1015 0.077,1016 7.321,1017 0.406,1018 4.355,1019 0.105,1020 3.423,1021 4.862,1022 2.374,1023 12.581,1024 3.24,1025 2.019,1026 2.019,1027 2.056,1028 2.071,1029 1.283,1030 2.096,1031 1.88,1032 1.878,1033 1.969,1034 2.002,1035 1.224,1036 2.002,1037 1.738,1038 1.697,1039 1.903,1040 1.909,1041 1.052,1042 1.916,1043 1.434,1044 1.461,1045 1.606,1046 1.681,1047 0.661,1048 1.648,1049 1.324,1050 1.296,1051 1.436,1052 1.612,1053 0.583,1054 1.633,1055 1.126,1056 1.112,1057 1.417,1058 1.438,1059 0.469,1060 1.394,1061 1.079,1062 1.028,1063 1.275,1064 1.364,1065 0.407,1066 1.355,1067 0.934,1068 0.839,1069 1.197,1070 1.239,1071 0.27,1072 1.308,1073 4.143,1074 5.509,1075 2.398,1076 7.057,1077 4.844,1078 8.689,1079 7.05,1080 10.368,1081 4.485,1082 9.243,1084 4.766,1085 4.565,1087 -1.684,1091 31.975,1092 86.32,1093 194.047,1094 231.346,1095 250.856,1096 250.856,1097 250.856,1098 85.363,1099 7.649,1100 134.94,1101 143.32,1102 17,1103 12.749,1104 4.322,1105 3.644,1106 52.559,1107 121,1108 128,1109 0.222,1110 200.119,1111 348.4,1112 480.05,1113 20248,1114 21.345,1115 0.736,1116 0.577,1117 21.595,1118 16.74,1119 13.618,1120 0.439,1121 0.328,1122 8.642,1123 12.14,1124 8.255,1125 6.898,1126 14.439,1127 10.169,1128 13.366,1129 0.291,1130 0.184,1131 14.667,1132 8.483,1133 10.366,1134 0.176,1135 0.099,1136 11.43,1137 5.838,1138 8.362,1139 0.109,1140 0.055,1141 9.457,1142 4.231,1143 6.897,1144 0.07,1145 0.03,1146 8.088,1147 2.97,1148 0.349,1149 95.374,1150 0.228,1151 27.433,1152 0.612,1153 154,1154 578.089,1155 213.022,1156 559.817,1157 737.14,1158 512,1159 182,1160 500.196,1161 247.298,1162 536.301,1163 783.35,1164 499,1165 7.602} {0 CHEMBL95414,1 1.611,2 17.048,3 4.535,4 20.564,5 159.001,6 7.542,7 0.378,8 4.452,9 4.553,10 4.117,11 3.994,12 5.551,13 3.95,14 5.014,15 5.175,16 4.44,17 4.385,18 6.188,19 4.334,20 5.309,21 5.478,22 4.552,23 4.563,24 6.488,25 4.488,26 5.466,27 5.682,28 4.488,29 4.546,30 6.571,31 4.452,32 5.338,33 5.543,34 4.505,35 4.512,36 6.524,37 4.433,38 5.394,39 5.596,40 4.469,41 4.567,42 6.6,43 4.46,44 5.458,45 5.703,46 4.355,47 4.542,48 6.499,49 4.409,50 5.312,51 5.555,52 4.252,53 4.37,54 6.421,55 4.253,56 0.207,57 1.111,58 19.211,59 8.289,60 25.471,61 9.928,62 0.558,63 1.798,64 34.844,65 13.36,66 83.968,67 16.787,68 0.743,69 2.282,70 48.838,71 17.397,72 108.49,73 21.646,74 1.261,75 2.382,76 62.778,77 19.739,78 172.592,79 24.635,80 1.032,81 2.249,82 52.979,83 17.197,84 163.949,85 22.045,86 1.171,87 2.339,88 55.926,89 19.479,90 188.048,91 24.571,92 1.041,93 2.401,94 63.843,95 20.689,96 154.852,97 27.095,98 1.194,99 2.02,100 52.322,101 16.781,102 157.41,103 22.3,104 91,105 65,106 0.245,107 0.582,108 0.769,109 0.816,110 0.82,111 0.82,112 3.764,113 1.027,114 -4.54,115 -4.47,116 -4.21,117 39.2,118 4,119 2,121 1,123 4,124 1,127 1,128 1,133 9,134 2,135 2,136 2,140 2,142 1,144 1,147 14,149 3,150 12,154 15,156 1,157 22,158 1,160 1,161 8,163 2,164 16,166 1,167 7,169 1,170 11,171 2,173 2,174 13,176 5,177 10,181 2,182 18,184 1,185 5,187 1,188 2,189 18,191 4,192 7,194 1,197 15,199 4,200 8,201 1,204 2,206 4192,207 27.261,208 27.261,209 27.261,210 27.261,211 27.261,212 24.537,213 31.069,214 15.684,215 27.938,216 22.116,217 22.116,218 22.116,219 22.116,220 22.116,221 17.749,222 35.105,223 7.374,224 23.142,225 4.693,226 2.474,227 1.248,228 0.937,229 0.912,230 0.912,231 4.45,233 1517,234 5.568,236 619.244,238 243.183,239 3.005,240 64.305,241 0.75,242 0.5,243 0.67,244 0.9,245 1,246 0.67,247 0.5,248 0.71,249 92.5,250 716,251 4.854,252 5.253,253 7.311,254 4.29,255 3.399,256 4.701,257 2.95,258 12.527,259 3.278,260 4.529,261 4.428,262 7.058,263 4.264,264 3.293,265 4.469,266 2.938,267 11.368,268 3.024,269 4.382,270 4.159,271 6.531,272 4.057,273 3.073,274 3.514,275 2.001,276 10.315,277 2.921,278 4,279 3.765,280 6.045,281 3.753,282 2.788,283 3.442,284 1.616,285 8.651,286 2.684,287 3.887,288 3.203,289 5.479,290 3.516,291 2.561,292 3.212,293 1.151,294 7.324,295 2.439,296 3.604,297 2.994,298 5.387,299 3.427,300 2.489,301 3.008,302 0.68,303 7.061,304 2.319,305 3.573,306 2.88,307 5.201,308 3.143,309 2.161,310 2.855,311 0.586,312 6.335,313 2.123,314 3.474,315 2.73,316 5.133,317 3.104,318 2.136,319 2.644,320 6.274,321 2.056,322 3.315,323 2.654,324 5.016,325 3.048,326 2.08,327 2.349,328 5.943,329 2.005,330 3.117,331 2.469,332 4.816,333 2.627,334 1.676,335 2.324,336 4.957,337 1.577,338 2.889,339 2.342,340 4.253,341 2.393,342 1.401,343 2.077,344 3.703,345 1.389,346 2.742,347 2.253,348 4.009,349 2.385,350 1.39,351 1.675,352 3.156,353 1.36,354 2.551,355 2.032,356 3.861,357 2.242,358 1.238,359 1.519,360 3.088,361 1.229,362 2.512,363 1.436,364 3.604,365 2.095,366 1.113,367 1.5,368 2.782,369 1.089,370 2.5,371 1.403,372 3.414,373 2,374 1,375 1.438,376 2.275,377 1,378 19.867,379 0.473,380 1.406,381 0.033,382 49.75,383 1.185,384 23.5,385 0.56,386 26.25,387 0.625,388 45.43,389 1.082,390 47.333,391 0.599,392 46.084,393 1.097,394 9.567,395 0.228,396 10.284,397 0.245,398 0.185,399 0.067,400 0.267,401 0.576,402 1.29,403 0.835,404 1.222,405 0.646,406 1.039,407 0.75,408 1.1,409 0.887,410 1.016,411 0.566,412 0.918,413 1.088,414 1.223,415 1.155,416 1.226,417 0.865,418 1.167,419 1.407,420 0.936,421 1.095,422 0.926,423 1.313,424 0.927,425 1.053,426 0.973,427 1.014,428 1.001,429 1.108,430 0.973,431 0.977,432 1.029,433 1.121,434 1.097,435 0.957,436 1.09,437 0.987,438 0.934,439 1.073,440 1.013,441 1.099,442 0.959,443 1.056,444 0.792,445 0.874,446 0.785,447 1.313,448 0.873,449 12,450 0.467,451 5.778,452 2.75,453 2.871,454 1.806,455 1.118,456 0.75,457 0.533,458 0.506,459 32559,460 90612,461 1.981,462 46.8,463 9,464 19,466 1,467 1,468 3,469 4,471 1.808,472 1.813,473 3.97,474 -0.361,477 127.262,478 1.611,479 3.83,480 5.056,481 5.367,482 5.392,483 5.392,484 3.493,485 4.862,486 5.362,487 4.263,488 3670.67,489 9.461,490 70298.6,493 497.999,494 1.701,495 5.288,496 0.267,497 0.01,498 0.089,499 0.041,500 0.047,501 0.029,502 0.018,503 0.014,504 0.011,505 0.012,506 0.537,507 0.17,508 0.63,509 1.151,510 245.592,511 0.12,512 -0.056,513 0.157,514 -0.018,515 -0.075,516 0.01,517 0.097,518 0.033,519 0.086,520 0.057,521 0.136,522 0.087,523 -0.075,524 -0.137,525 -0.138,526 -0.17,527 -0.003,528 -0.182,529 -0.167,530 0.013,531 -0.032,532 0.066,533 -0.139,534 0.038,535 -0.014,536 0.064,537 -0.001,538 -0.004,539 0.011,540 -0.002,541 0.049,542 -0.027,543 -0.094,544 -0.064,545 0.082,546 -0.096,547 -0.046,548 0.009,549 -0.009,550 0.01,551 -0.076,552 0.049,553 0.013,554 0.128,555 0.082,556 0.138,557 -0.119,558 0.1,559 4.792,560 6.25,561 0.524,562 64.649,563 1.009,564 1.126,565 3.314,566 10.985,567 0.656,568 3.829,569 4.19,570 4.382,571 4.564,572 4.812,573 4.844,574 4.905,575 4.997,576 5.124,577 5.153,578 10.158,579 0.623,580 595.78,581 3.829,582 5.398,583 6.232,584 7.116,585 7.969,586 8.851,587 9.711,588 10.592,589 11.456,590 12.337,591 3.8,593 1,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 79,609 22,610 2,611 45,612 82,613 31,614 15,615 4,616 8,618 4,619 5,621 4,622 1,623 2,625 3,627 19,628 12,630 5,632 1,633 4,634 2,636 2,639 37,640 10,641 1,642 11,643 1,644 3,646 0.75,647 7,648 1,651 4,653 1,661 1,662 1,663 2,665 1,667 3,669 1,670 4,671 42,672 1,674 1,675 6,677 2,679 1,680 2,681 1,684 8.9,685 1,687 4,689 2,690 23.167,691 15.217,692 9.042,693 4.597,694 3.914,695 1.47,696 0.928,697 10.057,698 12.24,699 4.086,700 4.682,701 5.155,702 5.641,703 6.181,704 6.431,705 6.715,706 6.976,707 7.384,708 7.505,709 1,710 67,711 15.974,712 7.19,713 7.972,714 29.488,715 24.422,716 2.472,717 103.833,719 423.76,720 189.708,721 22.524,722 159.627,723 6.046,724 183.662,725 583.387,726 22.524,727 35.301,728 14.773,729 143.614,730 141.346,731 48.596,733 411.989,734 423.76,735 206.186,736 159.627,737 6.046,738 376.675,739 163.906,740 42.806,741 60.713,742 119.211,743 32.308,745 423.76,746 182.151,747 189.708,748 6.046,749 423.76,750 42.603,751 146.797,753 176.413,754 423.76,755 182.151,756 189.708,757 0.596,758 0.335,759 0.16,760 0.092,761 29,762 15,763 0.134,764 11,765 1,766 1.091,767 5.043,768 406.545,769 0.091,770 22,771 211.722,773 1,774 31.646,775 13.348,776 8.398,777 1.868,778 182.151,779 15.842,780 4.541,783 2.398,784 42.806,785 795.619,786 58.5,788 -3.875,789 50.04,790 1.798,792 0.528,793 79.694,794 88.939,795 0.256,796 0.608,797 0.802,798 0.851,799 0.855,800 0.855,801 5.358,802 2.136,803 6.279,804 6.335,805 4.875,806 5.371,807 3.9,808 7.128,809 4.787,810 6.598,811 2.08,812 7.88,813 6.274,814 4.745,815 5.453,816 2.745,817 8.367,818 4.585,819 7.945,820 1.676,821 9.595,822 5.943,823 6.583,824 7.635,825 5.718,826 11.343,827 6.39,828 9.329,829 1.401,830 11.378,831 4.957,832 7.216,833 8.513,834 4.997,835 13.37,836 6.947,837 10.748,838 1.39,839 13.207,840 3.703,841 8.615,842 10.268,843 7.751,844 15.98,845 8.31,846 12.192,847 1.238,848 15.067,849 3.156,850 9.566,851 11.501,852 7.234,853 18.296,854 9.192,855 13.655,856 1.113,857 16.95,858 3.088,859 10.817,860 13.108,861 9.851,862 20.811,863 10.403,864 3.399,865 1,866 18.851,867 2.782,868 11.905,869 14.503,870 9.463,871 23.236,872 11.429,873 3.293,874 12.527,875 20.766,876 2.275,877 13.109,878 16.058,879 11.977,880 25.73,881 12.589,882 3.073,883 11.368,884 22.692,885 4.701,886 14.256,887 17.527,888 11.679,889 28.198,890 13.682,891 2.788,892 10.315,893 24.627,894 4.469,895 15.448,896 19.063,897 14.116,898 30.691,899 14.829,900 2.561,901 8.651,902 26.568,903 3.514,904 16.622,905 20.566,906 13.882,907 33.178,908 15.953,909 2.489,910 7.324,911 28.516,912 3.442,913 17.815,914 22.098,915 16.262,916 35.676,917 17.101,918 2.161,919 7.061,920 30.468,921 3.212,922 19.002,923 23.616,924 16.072,925 38.174,926 18.242,927 31398,928 52629,929 28.72,930 51.79,931 68.524,932 75.923,933 69.798,934 67.717,935 67.434,936 85.77,937 23.844,938 200.177,939 64.711,940 5.854,941 7.253,942 6.993,943 5.413,944 5.399,945 7.701,946 5.9,947 19.918,948 5.278,949 27.714,950 1.523,951 1.687,952 1.551,953 1.505,954 1.499,955 1.906,956 0.53,957 4.448,958 1.438,959 4.123,960 4.128,961 4.743,962 4.116,963 7.714,964 4.042,965 4.057,966 4.054,967 4.043,968 4.009,969 7.455,970 3.984,971 3.888,972 3.927,973 3.805,974 3.762,975 7.431,976 3.761,977 3.767,978 3.806,979 3.723,980 3.639,981 6.999,982 3.633,983 3.687,984 3.709,985 3.65,986 3.589,987 6.464,988 3.55,989 3.537,990 3.583,991 3.464,992 3.443,993 4.993,994 3.433,995 3.486,996 3.493,997 3.428,998 3.24,999 4.805,1000 3.253,1001 3.263,1002 3.318,1003 3.141,1004 3.091,1005 4.585,1006 3.087,1007 0.108,1008 0.117,1009 0.162,1010 0.095,1011 0.076,1012 4.854,1013 0.104,1014 5.253,1015 0.066,1016 7.311,1017 0.278,1018 4.29,1019 0.073,1020 3.399,1021 4.701,1022 2.95,1023 12.527,1024 3.278,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.385,1030 2.134,1031 1.982,1032 1.997,1033 2.04,1034 2.057,1035 1.277,1036 2.091,1037 1.852,1038 1.81,1039 1.976,1040 1.998,1041 1.263,1042 2.009,1043 1.747,1044 1.704,1045 1.966,1046 1.91,1047 1.171,1048 1.93,1049 1.613,1050 1.598,1051 1.75,1052 1.801,1053 1,1054 1.803,1055 1.543,1056 1.499,1057 1.728,1058 1.677,1059 0.832,1060 1.703,1061 1.318,1062 1.301,1063 1.542,1064 1.574,1065 0.825,1066 1.567,1067 1.231,1068 1.179,1069 1.513,1070 1.453,1071 0.697,1072 1.471,1073 4.511,1074 5.861,1076 7.391,1078 8.998,1080 10.645,1081 7.244,1082 10.188,1083 1.637,1085 11.384,1087 -1.078,1088 1.949,1089 -0.63,1091 49.21,1092 127.262,1093 302.564,1094 399.43,1095 423.96,1096 425.96,1097 425.96,1098 137.278,1099 8.327,1100 126.34,1101 134.72,1102 24,1103 12.875,1104 4.524,1105 3.858,1106 79.493,1107 254,1108 234,1109 0.146,1110 305.846,1111 546.72,1112 738.023,1113 60206,1114 30.493,1115 0.726,1116 0.598,1117 30.743,1118 25.134,1119 19.852,1120 0.441,1121 0.342,1122 13.708,1123 18.231,1124 13.068,1125 10.885,1126 20.673,1127 15.411,1128 19.304,1129 0.297,1130 0.207,1131 20.604,1132 13.451,1133 14.886,1134 0.188,1135 0.111,1136 15.977,1137 8.733,1138 11.146,1139 0.117,1140 0.063,1141 12.183,1142 6.018,1143 9.348,1144 0.077,1145 0.036,1146 10.324,1147 4.412,1148 0.239,1149 133.587,1150 0.187,1151 38.153,1152 0.378,1153 220,1154 704.359,1155 280.246,1156 686.792,1157 909.92,1158 632,1159 254,1160 631.654,1161 322.953,1162 666.368,1163 956.6,1164 619,1165 6.26} {0 CHEMBL98202,1 1.653,2 14.143,3 3.647,4 13.301,5 138.478,6 8.138,7 0.447,8 4.234,9 4.322,10 4.014,11 3.865,12 5.322,13 3.795,14 4.782,15 4.917,16 4.293,17 4.255,18 5.971,19 4.166,20 5.049,21 5.217,22 4.366,23 4.394,24 6.208,25 4.289,26 5.134,27 5.324,28 4.33,29 4.366,30 6.262,31 4.259,32 5.151,33 5.358,34 4.345,35 4.334,36 6.347,37 4.233,38 5.141,39 5.343,40 4.339,41 4.325,42 6.409,43 4.219,44 5.092,45 5.284,46 4.297,47 4.31,48 6.272,49 4.187,50 4.971,51 5.162,52 4.133,53 4.171,54 6.179,55 4.05,56 0.143,57 0.873,58 14.811,59 6.92,60 22.243,61 7.712,62 0.364,63 1.466,64 30.175,65 12.159,66 60.178,67 13.568,68 0.531,69 1.849,70 40.923,71 15.223,72 91.836,73 17.32,74 0.636,75 1.892,76 42.677,77 16.045,78 97.682,79 18.78,80 0.817,81 1.915,82 45.606,83 16.049,84 139.719,85 19.096,86 1.001,87 1.885,88 47.056,89 16.152,90 160.527,91 18.75,92 0.721,93 1.795,94 50.887,95 16.85,96 121.815,97 17.837,98 0.724,99 1.564,100 39.158,101 13.717,102 112.387,103 15.34,104 28,105 53,106 0.263,107 0.605,108 0.785,109 0.847,110 0.852,111 0.852,112 3.588,113 1.119,114 -4.23,115 -4.17,116 -3.94,117 41.3,118 1,119 2,123 4,124 1,127 1,128 1,133 9,134 2,135 2,136 2,140 1,144 1,147 11,149 2,150 8,154 14,157 12,158 1,160 1,161 9,163 2,164 11,166 1,167 8,169 1,170 8,171 2,173 2,174 11,176 4,177 10,181 2,182 11,185 4,188 3,189 14,191 1,192 10,197 12,200 5,201 1,204 4,206 2281,207 23.479,208 23.479,209 23.479,210 23.479,211 23.479,212 20.872,213 24.132,214 13.88,215 24.277,216 18.709,217 18.709,218 18.709,219 18.709,220 18.709,221 14.59,222 25.159,223 6.538,224 19.908,225 4.324,226 2.168,227 1.036,228 0.647,229 0.615,230 0.615,231 4.281,233 1064,234 4.528,236 485.247,238 187.163,239 2.302,240 48.473,241 0.75,242 0.83,243 0.83,244 0.7,245 0.5,246 0.83,247 1,248 0.78,249 76,250 495,251 4.854,252 5.253,253 7.311,254 4.264,255 3.399,256 4.701,257 2.95,258 12.527,259 3.024,260 4.529,261 4.219,262 6.531,263 4.057,264 3.073,265 4.469,266 2.95,267 10.315,268 2.921,269 3.99,270 4.158,271 6.044,272 3.736,273 2.773,274 3.442,275 2.001,276 8.644,277 2.661,278 3.885,279 3.203,280 5.389,281 3.443,282 2.501,283 3.204,284 1.151,285 7.069,286 2.351,287 3.574,288 2.974,289 5.29,290 3.349,291 2.386,292 3.008,293 0.68,294 6.724,295 2.283,296 3.546,297 2.851,298 5.201,299 3.143,300 2.161,301 2.855,302 0.586,303 6.277,304 2.123,305 3.474,306 2.712,307 5.016,308 3.048,309 2.08,310 2.608,312 5.943,313 2.005,314 3.117,315 2.654,316 4.816,317 2.629,318 1.679,319 2.328,320 4.957,321 1.579,322 2.889,323 2.433,324 4.041,325 2.403,326 1.518,327 2.077,328 3.418,329 1.389,330 2.701,331 2.342,332 3.862,333 2.393,334 1.4,335 1.663,336 3.098,337 1.345,338 2.513,339 2.252,340 3.605,341 2.122,342 1.194,343 1.517,344 2.819,345 1.093,346 2.5,347 2.004,348 3.569,349 2.088,350 1.111,351 1.5,352 2.762,353 1.048,354 2.439,355 1.435,356 3.414,357 2,358 1,359 1.338,360 2.275,361 1,362 2,363 1.402,364 3.247,365 1.955,366 1,367 1,368 2.136,369 0.942,370 1.842,371 1.05,372 3.239,373 1.488,374 0.58,375 0.71,376 1.408,377 0.521,378 17.133,379 0.49,380 0.905,381 0.026,382 43.5,383 1.243,384 22,385 0.629,386 21.5,387 0.614,388 33.899,389 0.969,390 38.067,391 0.604,392 35.608,393 1.017,394 7.916,395 0.226,396 8.936,397 0.255,398 0.107,399 0.049,400 0.257,401 0.573,402 1.124,403 0.801,404 1.054,405 0.653,406 0.936,407 0.786,408 1.134,409 1.14,410 1.153,411 0.601,412 1.011,413 1.017,414 1.115,415 1.167,416 1.147,417 0.871,418 1.082,419 1.124,420 1.067,421 0.948,422 1.009,423 1.148,424 1.059,425 1.002,426 0.97,427 0.866,428 0.942,429 1.033,430 0.953,431 1.086,432 0.914,433 0.976,434 0.922,435 0.968,436 0.91,437 1.451,438 0.944,439 1.176,440 1.029,441 1.588,442 0.968,443 1.412,444 0.948,445 1.052,446 0.983,447 1.759,448 1.052,449 8,450 0.252,451 4.222,452 2.313,453 2.16,454 1.41,455 0.855,456 0.542,457 0.368,458 0.286,459 19532,460 56322,461 2.051,462 44.4,464 19,466 1,467 1,468 3,469 4,471 1.765,472 1.918,473 3.72,474 -0.345,477 104.142,478 1.653,479 3.809,480 4.941,481 5.33,482 5.362,483 5.362,484 3.182,485 4.629,486 5.103,487 3.966,488 2359.99,489 8.942,490 38523.1,493 376.569,494 1.513,495 5.053,496 0.211,497 0.009,498 0.08,499 0.042,500 0.042,501 0.028,502 0.017,503 0.012,504 0.01,505 0.01,506 0.459,507 0.17,508 0.88,509 0.841,510 192.07,511 0.1,512 -0.002,513 0.153,514 0.031,515 -0.078,516 0.042,517 0.048,518 -0.043,519 -0.09,520 -0.061,521 0.119,522 -0.029,523 -0.064,524 -0.07,525 -0.15,526 -0.117,527 0.007,528 -0.11,529 -0.055,530 -0.102,531 -0.047,532 -0.079,533 -0.074,534 -0.097,535 0.083,536 -0.004,537 0.054,538 -0.02,539 0.07,540 0.011,541 0.119,542 0.053,543 0.023,544 0.046,545 0.159,546 0.055,547 -0.202,548 0.024,549 -0.067,550 0.024,551 -0.194,552 0.014,553 -0.168,554 0.001,555 -0.08,556 -0.02,557 -0.26,558 -0.092,559 4.675,560 6.044,561 0.629,562 41.424,563 1.008,564 1.116,565 3.001,566 9.003,567 0.69,568 3.664,569 3.989,570 4.22,571 4.443,572 4.673,573 4.691,574 4.727,575 4.771,576 4.898,577 4.92,578 8.463,579 0.648,580 512.7,581 3.664,582 5.209,583 6.047,584 6.923,585 7.779,586 8.658,587 9.52,588 10.401,589 11.266,590 12.148,591 3.2,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 63,609 21,610 2,611 38,612 66,613 26,614 15,615 4,616 8,618 4,619 5,621 1,623 2,625 3,627 18,628 8,630 4,632 1,633 3,634 2,636 1,639 28,640 7,641 1,642 9,643 2,644 2,646 0.75,647 5,648 1,651 4,653 1,661 1,662 1,663 1,665 1,667 3,668 1,669 2,670 1,671 35,672 1,674 1,675 6,677 1,678 1,679 1,680 1,684 7.9,685 1,687 3,689 1,690 18.25,691 11.35,692 7.708,693 3.634,694 3.773,695 1.478,696 0.962,697 8.374,698 11.673,699 3.942,700 4.543,701 5.058,702 5.594,703 6.139,704 6.391,705 6.668,706 6.922,707 7.332,708 7.449,709 1,710 55,711 13.306,712 6.013,713 7.907,714 24.817,715 20.798,716 2.407,717 84.25,719 317.82,720 185.848,721 16.786,722 123.263,723 38.266,724 147.583,725 441.083,726 16.786,727 8.825,728 12.361,729 143.614,730 109.01,731 31.639,733 338.268,734 317.82,735 164.368,736 123.263,737 38.266,738 270.735,739 127.542,740 42.806,741 26.087,742 112.02,743 32.308,744 32.22,745 317.82,746 140.049,747 185.848,748 6.046,749 317.82,750 65.219,751 114.583,753 140.049,754 317.82,755 140.049,756 185.848,757 0.581,758 0.335,759 0.175,760 0.099,761 24,762 11,763 0.121,764 8,765 1,766 1.091,767 4.561,768 321.23,769 0.091,770 22,771 169.525,772 1,773 1,774 25.557,775 11.469,776 6.575,777 1.912,778 140.049,779 16.05,780 4.538,783 2.543,784 42.806,785 643.717,786 50.5,788 -3.758,789 37.263,790 1.959,792 1.062,793 63.48,794 70.281,795 0.277,796 0.637,797 0.827,798 0.892,799 0.897,800 0.897,801 5.183,802 1.679,803 6.052,804 5.943,805 4.673,806 5.231,807 3.856,808 6.876,809 4.558,810 6.406,811 1.518,812 7.626,813 4.957,814 4.369,815 5.255,816 1.404,817 8.003,818 4.149,819 7.742,820 1.4,821 9.313,822 3.418,823 6.319,824 7.524,825 5.804,826 11.036,827 6.068,828 9.121,829 1.194,830 11.071,831 3.098,832 6.836,833 8.392,834 3.056,835 13.021,836 6.45,837 10.538,838 1.111,839 12.879,840 2.819,841 8.29,842 10.189,843 7.91,844 15.656,845 7.867,846 11.984,847 1,848 14.721,849 2.762,850 9.177,851 11.428,852 4.603,853 17.968,854 8.61,855 13.452,856 1,857 16.591,858 2.275,859 10.45,860 13.056,861 10.054,862 20.501,863 9.825,864 3.399,865 0.58,866 18.481,867 2.136,868 11.507,869 14.46,870 6.085,871 22.937,872 10.743,873 3.073,874 12.527,875 20.388,876 1.408,877 12.719,878 16.026,879 12.21,880 25.448,881 11.875,882 2.773,883 10.315,884 22.308,885 4.701,886 13.852,887 17.501,888 7.53,889 27.932,890 12.878,891 2.501,892 8.644,893 24.24,894 4.469,895 15.048,896 19.044,897 14.371,898 30.443,899 13.977,900 2.386,901 7.069,902 26.18,903 3.442,904 16.217,905 20.551,906 8.954,907 32.946,908 15.022,909 2.161,910 6.724,911 28.128,912 3.204,913 17.412,914 22.086,915 16.533,916 35.461,917 16.11,918 2.08,919 6.277,920 30.082,921 3.008,922 18.6,923 23.607,924 10.364,925 37.975,926 17.175,927 18573,928 31729,929 25.137,930 43.477,931 56.584,932 64.497,933 57.996,934 56.323,935 56.072,936 73.355,937 20.636,938 161.229,939 52.966,940 5.854,941 7.253,942 7.113,943 5.386,944 5.399,945 7.701,946 5.9,947 19.918,948 5.024,949 17.749,950 1.489,951 1.697,952 1.526,953 1.482,954 1.476,955 1.93,956 0.543,957 4.243,958 1.394,959 4.12,960 4.124,961 4.743,962 4.116,963 7.714,964 4.04,965 4.057,966 4.051,967 4.044,968 4.009,969 7.455,970 3.984,971 3.844,972 3.878,973 3.956,974 3.791,975 6.999,976 3.754,977 3.683,978 3.692,979 3.722,980 3.608,981 6.464,982 3.556,983 3.535,984 3.582,985 3.552,986 3.443,987 4.992,988 3.433,989 3.476,990 3.483,991 3.428,992 3.277,993 4.805,994 3.251,995 3.263,996 3.318,997 3.223,998 3.092,999 4.406,1000 3.087,1001 3.121,1002 3.206,1003 3.138,1004 2.954,1005 4.399,1006 2.942,1007 0.128,1008 0.138,1009 0.192,1010 0.112,1011 0.089,1012 4.854,1013 0.124,1014 5.253,1015 0.078,1016 7.311,1017 0.33,1018 4.264,1019 0.08,1020 3.399,1021 4.701,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.384,1030 2.134,1031 1.982,1032 1.997,1033 2.004,1034 2.044,1035 1.276,1036 2.087,1037 1.838,1038 1.805,1039 1.962,1040 1.941,1041 1.261,1042 1.968,1043 1.608,1044 1.6,1045 1.749,1046 1.765,1047 0.999,1048 1.786,1049 1.542,1050 1.499,1051 1.703,1052 1.676,1053 0.832,1054 1.702,1055 1.311,1056 1.298,1057 1.541,1058 1.572,1059 0.825,1060 1.561,1061 1.229,1062 1.179,1063 1.513,1064 1.452,1065 0.697,1066 1.471,1067 1.153,1068 1.064,1069 1.293,1070 1.376,1071 0.577,1072 1.429,1073 4.344,1074 5.666,1076 7.185,1078 8.789,1080 10.438,1081 1.935,1082 10.002,1083 3.477,1085 5.931,1086 1.835,1087 -0.935,1088 0.435,1091 40.839,1092 104.142,1093 239.986,1094 311.284,1095 335.814,1096 337.814,1097 337.814,1098 90.032,1099 7.9,1100 96.8,1101 130.48,1102 24,1103 12.686,1104 4.459,1105 3.755,1106 59.735,1107 181,1108 154,1109 0.159,1110 257.155,1111 452.79,1112 619.219,1113 33865,1114 24.838,1115 0.71,1116 0.603,1117 25.442,1118 21.095,1119 16.853,1120 0.443,1121 0.373,1122 11.48,1123 14.992,1124 10.923,1125 8.999,1126 18.174,1127 14.17,1128 15.418,1129 0.291,1130 0.221,1131 17.249,1132 11.73,1133 12.479,1134 0.186,1135 0.129,1136 14.024,1137 8.665,1138 10.012,1139 0.119,1140 0.078,1141 11.571,1142 6.55,1143 8.205,1144 0.077,1145 0.046,1146 9.674,1147 4.844,1148 0.256,1149 118.587,1150 0.199,1151 32.676,1152 0.417,1153 182,1154 564.103,1155 252.574,1156 579.746,1157 768.08,1158 536,1159 211,1160 507.366,1161 283.73,1162 554.217,1163 798.62,1164 517,1165 5.398} {0 CHEMBL98390,1 1.546,2 16.179,3 4.479,4 20.06,5 152.327,6 7.1,7 0.405,8 4.427,9 4.539,10 4.051,11 3.979,12 5.444,13 3.917,14 5.013,15 5.19,16 4.349,17 4.385,18 6.084,19 4.305,20 5.33,21 5.538,22 4.453,23 4.582,24 6.346,25 4.464,26 5.481,27 5.729,28 4.435,29 4.606,30 6.419,31 4.465,32 5.45,33 5.685,34 4.442,35 4.576,36 6.518,37 4.445,38 5.458,39 5.706,40 4.385,41 4.54,42 6.571,43 4.401,44 5.36,45 5.604,46 4.285,47 4.46,48 6.397,49 4.331,50 5.22,51 5.443,52 4.184,53 4.358,54 6.322,55 4.232,56 0.127,57 1.11,58 20.53,59 8.312,60 22.714,61 10.492,62 0.372,63 1.828,64 36.435,65 13.56,66 64.564,67 17.882,68 0.525,69 2.36,70 52.157,71 18.234,72 97.635,73 24.348,74 0.749,75 2.529,76 63.585,77 21.131,78 111.188,79 28.192,80 0.872,81 2.433,82 61.289,83 20.337,84 158.758,85 27.028,86 1.075,87 2.384,88 61.983,89 20.471,90 176.973,91 27.142,92 0.735,93 2.18,94 57.775,95 18.545,96 122.779,97 24.378,98 0.783,99 1.925,100 45.811,101 15.535,102 113.958,103 20.671,104 58,105 59,106 0.237,107 0.546,108 0.766,109 0.84,110 0.844,111 0.844,112 3.693,113 1.09,114 -4.34,115 -4.28,116 -4.03,117 38.5,118 3,119 3,120 2,123 5,124 1,133 9,134 2,135 2,136 2,140 1,144 1,147 13,149 2,150 11,154 13,157 15,158 1,160 1,161 8,163 2,164 12,166 1,167 9,169 1,170 8,171 2,173 2,174 16,176 5,177 9,181 2,182 14,185 4,187 1,188 2,189 16,191 4,192 8,197 12,200 9,201 1,203 1,204 2,206 3325,207 25.789,208 25.789,209 25.789,210 25.789,211 25.789,212 23.414,213 26.982,214 15.115,215 26.455,216 20.675,217 20.675,218 20.675,219 20.675,220 20.675,221 16.966,222 28,223 7.127,224 21.715,225 4.74,226 2.716,227 1.28,228 0.798,229 0.773,230 0.773,231 4.383,233 1345,234 5,236 560.711,238 218.934,239 2.706,240 51.838,241 0.75,242 0.67,243 0.67,244 0.9,245 1,246 0.67,247 0.5,248 0.74,249 84.5,250 631,251 4.853,252 5.252,253 7.311,254 4.265,255 3.399,256 4.7,257 2.95,258 12.527,259 3.024,260 4.529,261 4.144,262 6.531,263 4.057,264 3.073,265 4.469,266 1.971,267 10.315,268 2.921,269 3.909,270 3.203,271 6.045,272 3.758,273 2.794,274 3.44,275 1.151,276 8.652,277 2.686,278 3.808,279 2.94,280 5.513,281 3.558,282 2.613,283 3.008,284 0.8,285 7.427,286 2.469,287 3.624,288 2.904,289 5.387,290 3.432,291 2.493,292 2.86,293 0.466,294 7.063,295 2.326,296 3.573,297 2.753,298 5.202,299 3.24,300 2.255,301 2.841,303 6.43,304 2.214,305 3.474,306 2.654,307 5.171,308 3.143,309 2.161,310 2.635,312 6.276,313 2.123,314 3.273,315 2.404,316 5.016,317 3.048,318 2.08,319 2.33,320 5.943,321 2.005,322 3.117,323 2.341,324 4.816,325 2.803,326 1.836,327 2.277,328 4.957,329 1.766,330 2.889,331 2.247,332 4.401,333 2.625,334 1.675,335 2.077,336 4.509,337 1.575,338 2.852,339 1.977,340 4.009,341 2.393,342 1.4,343 1.849,344 3.177,345 1.389,346 2.55,347 1.713,348 3.861,349 2.263,350 1.262,351 1.519,352 3.091,353 1.254,354 2.512,355 1.43,356 3.604,357 2.095,358 1.114,359 1.5,360 2.783,361 1.089,362 2.5,363 1.396,364 3.414,365 2,366 1,367 1.446,368 2.275,369 1,370 2,371 1.077,372 3.414,373 1.984,374 1,375 1,376 2.275,377 0.983,378 18.7,379 0.479,380 1.118,381 0.029,382 45.25,383 1.16,384 21,385 0.538,386 24.25,387 0.622,388 42.76,389 1.096,390 44.3,391 0.568,392 38.467,393 0.986,394 8.301,395 0.213,396 10.339,397 0.265,398 0.152,399 0.045,400 0.283,401 0.598,402 1.354,403 0.888,404 1.247,405 0.656,406 1.078,407 0.818,408 1.132,409 0.975,410 1.051,411 0.567,412 0.994,413 0.956,414 1.142,415 1.096,416 1.134,417 0.785,418 1.101,419 1.017,420 0.958,421 1.018,422 0.999,423 0.998,424 0.957,425 1.013,426 1.016,427 1.013,428 1.062,429 1.095,430 1.021,431 1.007,432 0.894,433 0.991,434 0.947,435 0.969,436 0.924,437 1.266,438 0.92,439 1.102,440 0.981,441 1.406,442 0.898,443 1.315,444 0.933,445 1.024,446 0.909,447 1.647,448 1.026,449 10,450 0.384,451 4.667,452 2.625,453 2.551,454 1.583,455 1.056,456 0.604,457 0.508,458 0.446,459 26472,460 63665,461 2.016,462 50,463 7,464 20,466 1,467 1,468 3,469 7,471 1.791,472 1.865,473 3.898,474 -0.383,477 120.559,478 1.546,479 3.569,480 5.006,481 5.487,482 5.513,483 5.513,484 3.414,485 4.856,486 5.255,487 4.167,488 3087.64,489 9.25,490 55243,493 490.261,494 1.589,495 5.198,496 0.238,497 0.01,498 0.079,499 0.043,500 0.044,501 0.028,502 0.019,503 0.012,504 0.011,505 0.011,506 0.495,507 0.17,508 0.75,509 1.02,510 222.429,511 0.109,512 -0.095,513 0.168,514 -0.019,515 -0.067,516 0.016,517 0.049,518 0.02,519 0.025,520 0.025,521 0.142,522 0.029,523 -0.036,524 -0.064,525 -0.073,526 -0.085,527 0.037,528 -0.094,529 -0.019,530 0.023,531 0.028,532 0.014,533 -0.029,534 0.032,535 0.065,536 -0.036,537 0.015,538 -0.055,539 0.046,540 -0.034,541 0.134,542 0.051,543 0.05,544 0.045,545 0.153,546 0.051,547 -0.093,548 0.035,549 -0.006,550 0.047,551 -0.101,552 0.083,553 -0.072,554 0.048,555 -0.077,556 0.032,557 -0.181,558 -0.066,559 4.662,560 6.243,561 0.564,562 54.071,563 0.999,564 1.127,565 3.111,566 9.679,567 0.649,568 3.761,569 4.094,570 4.304,571 4.533,572 4.762,573 4.796,574 4.86,575 4.913,576 5.05,577 5.081,578 9.464,579 0.607,580 553.79,581 3.761,582 5.313,583 6.146,584 7.024,585 7.876,586 8.755,587 9.615,588 10.495,589 11.359,590 12.239,591 3.8,593 1,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 78,609 20,610 2,611 42,612 81,613 30,614 15,615 4,616 8,618 4,619 5,621 3,623 2,624 1,625 4,627 16,628 14,629 2,630 3,632 1,633 3,634 1,639 39,640 8,641 1,642 9,643 1,644 3,646 0.75,647 5,648 1,651 4,653 1,663 1,664 1,665 1,667 3,669 1,670 3,671 39,672 1,674 1,675 8,677 1,679 3,680 2,684 6.4,685 1,687 3,689 1,690 20.917,691 14.467,692 8.542,693 4.823,694 3.436,695 1.421,696 0.938,697 9.87,698 11.599,699 3.998,700 4.575,701 5.058,702 5.583,703 6.115,704 6.359,705 6.642,706 6.894,707 7.307,708 7.41,709 0.909,710 61,711 14.838,712 6.621,713 7.818,714 28.083,715 23.659,716 2.318,717 90.417,719 447.302,720 165.669,721 19.91,722 123.263,723 6.046,724 159.624,725 570.565,726 19.91,727 26.476,728 19.413,729 134.138,730 109.01,731 31.578,733 435.531,734 447.302,735 179.533,736 123.263,737 6.046,738 364.904,739 162.855,740 42.806,741 53.914,742 108.834,743 22.831,745 447.302,746 143.173,747 165.669,748 6.046,749 447.302,750 36.866,751 125.881,753 140.049,754 447.302,755 143.173,756 165.669,757 0.584,758 0.328,759 0.171,760 0.097,761 26,762 13,763 0.136,764 11,765 1,766 1.091,767 4.864,768 368.25,769 0.091,770 22,771 194.131,773 1,774 29.323,775 13.127,776 7.938,777 1.92,778 143.173,779 16.183,780 4.555,783 2.59,784 42.806,785 756.145,786 53.5,788 -3.745,789 37.858,790 0.301,793 77.923,794 87.936,795 0.246,796 0.568,797 0.796,798 0.873,799 0.877,800 0.877,801 5.254,802 2.08,803 6.159,804 6.276,805 4.779,806 5.263,807 3.38,808 6.978,809 4.681,810 6.464,811 1.836,812 7.731,813 5.943,814 4.511,815 5.286,816 1.494,817 8.078,818 4.3,819 7.789,820 1.675,821 9.412,822 4.957,823 6.422,824 7.515,825 5.185,826 11.1,827 6.19,828 9.155,829 1.4,830 11.16,831 4.509,832 6.938,833 8.385,834 3.003,835 13.056,836 6.564,837 10.561,838 1.262,839 12.955,840 3.177,841 8.374,842 10.169,843 7.244,844 15.685,845 7.97,846 11.996,847 1.114,848 14.786,849 3.091,850 9.25,851 11.415,852 4.494,853 17.984,854 8.698,855 13.456,856 1,857 16.644,858 2.783,859 10.512,860 13.041,861 9.372,862 20.513,863 9.908,864 3.399,865 1,866 18.524,867 2.275,868 11.558,869 14.45,870 5.941,871 22.943,872 10.812,873 3.073,874 12.527,875 20.422,876 2.275,877 12.762,878 16.016,879 11.521,880 25.453,881 11.94,882 2.794,883 10.315,884 22.335,885 4.7,886 13.888,887 17.495,888 7.356,889 27.934,890 12.932,891 2.613,892 8.652,893 24.261,894 4.469,895 15.078,896 19.039,897 13.679,898 30.444,899 14.028,900 2.493,901 7.427,902 26.197,903 3.44,904 16.242,905 20.547,906 8.749,907 32.947,908 15.065,909 2.255,910 7.063,911 28.141,912 3.008,913 17.433,914 22.083,915 15.84,916 35.462,917 16.149,918 2.161,919 6.43,920 30.092,921 2.86,922 18.617,923 23.605,924 10.13,925 37.975,926 17.21,927 25407,928 39759,929 27.334,930 50.642,931 62.733,932 68.198,933 64.572,934 62.502,935 62.226,936 78.235,937 14.675,938 179.684,939 59.468,940 5.853,941 7.252,942 6.993,943 5.387,944 5.399,945 7.7,946 5.9,947 19.918,948 5.024,949 23.139,950 1.494,951 1.624,952 1.537,953 1.488,954 1.482,955 1.863,956 0.349,957 4.278,958 1.416,959 4.123,960 4.129,961 4.743,962 4.115,963 7.714,964 4.041,965 4.057,966 4.056,967 4.043,968 4.009,969 7.455,970 3.983,971 3.903,972 3.956,973 3.789,974 3.772,975 6.999,976 3.765,977 3.732,978 3.773,979 3.721,980 3.621,981 6.464,982 3.593,983 3.631,984 3.674,985 3.54,986 3.516,987 4.993,988 3.486,989 3.536,990 3.583,991 3.429,992 3.443,993 4.805,994 3.432,995 3.487,996 3.497,997 3.414,998 3.256,999 4.405,1000 3.259,1001 3.263,1002 3.318,1003 3.139,1004 3.091,1005 4.382,1006 3.087,1007 0.116,1008 0.125,1009 0.174,1010 0.102,1011 0.081,1012 4.853,1013 0.112,1014 5.252,1015 0.07,1016 7.311,1017 0.298,1018 4.265,1019 0.072,1020 3.399,1021 4.7,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.506,1030 2.135,1031 1.983,1032 1.997,1033 2.097,1034 2.075,1035 1.317,1036 2.104,1037 1.881,1038 1.827,1039 1.977,1040 2.016,1041 1.271,1042 2.046,1043 1.704,1044 1.655,1045 1.948,1046 1.878,1047 1.212,1048 1.899,1049 1.605,1050 1.573,1051 1.766,1052 1.782,1053 1.034,1054 1.801,1055 1.543,1056 1.499,1057 1.748,1058 1.678,1059 0.834,1060 1.703,1061 1.334,1062 1.315,1063 1.542,1064 1.575,1065 0.825,1066 1.578,1067 1.235,1068 1.18,1069 1.513,1070 1.457,1071 0.759,1072 1.472,1073 4.443,1074 5.771,1076 7.286,1078 8.884,1080 10.528,1081 6.336,1082 10.213,1083 5.233,1085 5.971,1087 0.055,1088 2.946,1091 47.308,1092 120.559,1093 278.397,1094 390.448,1095 427.997,1096 429.997,1097 429.997,1098 112.521,1099 8.164,1100 100.04,1101 108.42,1102 24,1103 12.778,1104 4.392,1105 3.644,1106 70.704,1107 221,1108 224,1109 0.151,1110 294.116,1111 517.12,1112 709.402,1113 48299,1114 27.993,1115 0.718,1116 0.61,1117 28.243,1118 23.809,1119 18.64,1120 0.444,1121 0.363,1122 13.586,1123 17.2,1124 13.002,1125 10.839,1126 19.461,1127 15.253,1128 17.43,1129 0.295,1130 0.221,1131 18.731,1132 13.028,1133 13.525,1134 0.185,1135 0.125,1136 14.616,1137 9.151,1138 10.959,1139 0.119,1140 0.076,1141 11.996,1142 6.951,1143 8.966,1144 0.077,1145 0.044,1146 9.942,1147 5.154,1148 0.245,1149 124.925,1150 0.191,1151 35.866,1152 0.392,1153 202,1154 576.888,1155 255.714,1156 572.55,1157 762.29,1158 528,1159 233,1160 521.107,1161 295.032,1162 560.759,1163 805.97,1164 522,1165 6.456} {0 CHEMBL98852,1 1.617,2 14.778,3 3.109,4 9.667,5 135.398,6 7.947,7 0.436,8 4.251,9 4.34,10 3.978,11 3.847,12 5.375,13 3.802,14 4.8,15 4.939,16 4.276,17 4.236,18 6.02,19 4.179,20 5.095,21 5.263,22 4.377,23 4.393,24 6.3,25 4.313,26 5.17,27 5.358,28 4.331,29 4.373,30 6.334,31 4.277,32 5.158,33 5.365,34 4.339,35 4.328,36 6.371,37 4.24,38 5.155,39 5.357,40 4.308,41 4.316,42 6.434,43 4.227,44 5.115,45 5.308,46 4.217,47 4.288,48 6.327,49 4.199,50 5.015,51 5.203,52 4.104,53 4.167,54 6.319,55 4.08,56 0.158,57 0.881,58 14.619,59 6.798,60 24.697,61 7.653,62 0.389,63 1.45,64 26.274,65 11.26,66 68.251,67 13.251,68 0.663,69 1.864,70 39.081,71 14.648,72 118.29,73 17.172,74 0.79,75 1.917,76 44.372,77 16.045,78 123.67,79 18.875,80 0.875,81 1.892,82 44.598,83 15.485,84 151.083,85 18.999,86 1.072,87 1.857,88 45.493,89 15.599,90 176.725,91 18.657,92 0.833,93 1.769,94 44.993,95 15.39,96 142.224,97 17.596,98 0.885,99 1.561,100 36.484,101 12.998,102 159.756,103 15.242,104 39,105 55,106 0.255,107 0.596,108 0.767,109 0.847,110 0.852,111 0.852,112 3.615,113 1.027,114 -3.61,115 -3.58,116 -3.42,117 42.2,118 1,119 4,123 2,124 1,127 1,128 1,133 9,134 2,135 2,136 2,139 1,140 1,144 1,147 13,149 2,150 10,154 15,157 14,158 1,160 1,161 12,163 2,164 12,166 1,167 7,169 1,170 11,171 2,173 2,174 11,176 4,177 9,181 4,182 11,184 1,185 10,188 2,189 14,191 1,192 7,194 1,197 16,199 3,200 5,201 1,204 6,206 2516,207 23.927,208 23.927,209 23.927,210 23.927,211 23.927,212 21.165,213 25.63,214 13.966,215 24.449,216 19.175,217 19.175,218 19.175,219 19.175,220 19.175,221 14.754,222 27.294,223 6.574,224 19.968,225 4.383,226 2.228,227 1.145,228 0.637,229 0.606,230 0.606,231 4.307,233 1141,234 4.583,236 503.544,238 194.997,239 2.37,240 57.354,241 0.75,242 0.83,243 0.83,244 0.7,245 0.5,246 0.83,247 1,248 0.78,249 79,250 532,251 4.854,252 5.253,253 7.311,254 4.265,255 3.399,256 4.701,257 2.95,258 12.527,259 3.024,260 4.529,261 4.159,262 6.531,263 4.057,264 3.073,265 4.469,266 2.178,267 10.315,268 2.922,269 4.011,270 3.639,271 6.045,272 3.758,273 2.785,274 3.442,275 2.001,276 8.648,277 2.714,278 3.89,279 3.203,280 5.392,281 3.525,282 2.531,283 3.234,284 1.151,285 7.078,286 2.506,287 3.68,288 2.98,289 5.366,290 3.427,291 2.48,292 3.008,293 0.68,294 6.94,295 2.324,296 3.573,297 2.864,298 5.201,299 3.143,300 2.161,301 2.856,302 0.586,303 6.277,304 2.123,305 3.475,306 2.722,307 5.016,308 3.072,309 2.08,310 2.804,312 5.943,313 2.085,314 3.414,315 2.654,316 4.882,317 3.047,318 2.046,319 2.518,320 5.646,321 2.005,322 3.117,323 2.342,324 4.816,325 2.626,326 1.675,327 2.327,328 4.957,329 1.576,330 2.889,331 2.253,332 4.009,333 2.393,334 1.4,335 2.077,336 3.175,337 1.389,338 2.572,339 2.021,340 3.861,341 2.27,342 1.263,343 1.52,344 3.09,345 1.261,346 2.512,347 1.436,348 3.604,349 2.095,350 1.114,351 1.5,352 2.783,353 1.089,354 2.5,355 1.402,356 3.414,357 2,358 1,359 1.463,360 2.275,361 1,362 2,363 1.263,364 3.414,365 2,366 1,367 1,368 2.275,369 1,370 1.842,371 1.06,372 3.26,373 1.489,374 0.581,375 0.71,376 1.409,377 0.521,378 17.133,379 0.476,380 1.012,381 0.028,382 45.75,383 1.271,384 23.5,385 0.653,386 22.25,387 0.618,388 33.112,389 0.92,390 39.267,391 0.614,392 39.667,393 1.102,394 8.896,395 0.247,396 8.351,397 0.232,398 0.126,399 0.049,400 0.286,401 0.56,402 1.169,403 0.811,404 1.141,405 0.625,406 0.957,407 0.738,408 1.128,409 0.946,410 1.077,411 0.599,412 0.991,413 1.061,414 1.093,415 1.139,416 1.11,417 0.971,418 1.071,419 1.136,420 1.085,421 1.132,422 1.111,423 1.143,424 1.087,425 0.909,426 1.001,427 0.948,428 1.026,429 0.888,430 0.976,431 1.017,432 0.924,433 1.063,434 0.971,435 0.883,436 0.928,437 1.344,438 0.944,439 1.261,440 1.051,441 1.421,442 0.973,443 1.372,444 0.928,445 1.051,446 0.928,447 1.621,448 1.043,449 9,450 0.285,451 4.667,452 2.375,453 2.351,454 1.465,455 0.935,456 0.604,457 0.459,458 0.326,459 21069,460 61950,461 2.033,462 43.8,463 4,464 15,466 1,467 1,468 7,471 1.772,472 1.886,473 3.775,474 -0.355,477 103.502,478 1.617,479 3.772,480 4.855,481 5.363,482 5.394,483 5.394,484 3.251,485 4.781,486 5.143,487 4.019,488 2532.23,489 9.023,490 42209.1,493 384,494 1.574,495 5.086,496 0.231,497 0.009,498 0.085,499 0.042,500 0.045,501 0.028,502 0.018,503 0.012,504 0.011,505 0.01,506 0.491,507 0.33,508 0.88,509 0.862,510 199.488,511 0.083,512 -0.015,513 0.16,514 0.009,515 -0.068,516 0.035,517 0.05,518 -0.039,519 -0.001,520 -0.023,521 0.089,522 -0.013,523 -0.095,524 -0.047,525 -0.118,526 -0.071,527 -0.05,528 -0.099,529 -0.092,530 -0.095,531 -0.089,532 -0.086,533 -0.107,534 -0.104,535 0.075,536 -0.013,537 0.075,538 -0.031,539 0.062,540 0.012,541 0.086,542 0.056,543 0.015,544 0.048,545 0.113,546 0.055,547 -0.179,548 0.029,549 -0.136,550 0.007,551 -0.182,552 0.012,553 -0.141,554 0.014,555 -0.108,556 0.011,557 -0.204,558 -0.089,559 4.747,560 6.046,561 0.611,562 44.117,563 1.011,564 1.118,565 2.383,566 5.681,567 0.676,568 3.689,569 4.025,570 4.248,571 4.466,572 4.71,573 4.727,574 4.762,575 4.82,576 4.956,577 4.949,578 8.687,579 0.646,580 508.64,581 3.689,582 5.242,583 6.08,584 6.957,585 7.814,586 8.694,587 9.557,588 10.437,589 11.303,590 12.184,591 3.1,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 64,609 22,610 2,611 39,612 67,613 27,614 15,615 4,616 8,618 4,619 5,621 1,623 4,625 5,627 19,628 8,630 5,632 1,633 4,634 2,636 2,639 28,640 8,641 1,642 9,643 1,644 2,646 0.75,647 6,648 1,651 4,653 1,656 1,661 1,662 1,663 1,665 1,667 3,669 1,670 1,671 36,672 1,674 1,675 6,677 1,679 1,680 1,684 9.4,685 1,687 4,689 1,690 19.083,691 11.6,692 7.875,693 3.759,694 3.876,695 1.486,696 0.958,697 8.076,698 11.848,699 3.98,700 4.585,701 5.083,702 5.609,703 6.164,704 6.411,705 6.688,706 6.945,707 7.368,708 7.463,709 0.9,710 57,711 13.711,712 6.263,713 8.03,714 25.231,715 21.15,716 2.53,717 91.083,719 317.82,720 162.032,721 16.786,722 148.408,723 6.046,724 155.986,725 466.228,726 16.786,727 8.825,728 15.63,729 143.614,730 139.288,731 31.639,733 306.049,734 317.82,735 172.771,736 148.408,737 6.046,738 317.82,739 105.603,740 42.806,741 29.356,742 117.153,743 32.308,745 317.82,746 165.194,747 162.032,748 6.046,749 317.82,750 41.403,751 114.583,753 165.194,754 317.82,755 165.194,756 162.032,757 0.586,758 0.336,759 0.171,760 0.1,761 25,762 12,763 0.119,764 8,765 1,766 1.091,767 4.621,768 333.733,769 0.091,770 22,771 176.117,773 1,774 25.872,775 11.238,776 6.526,777 1.878,778 165.194,779 15.834,780 4.528,783 2.426,784 42.806,785 645.045,786 52.5,788 -3.83,789 48.742,790 1.767,792 1.014,793 64.731,794 71.571,795 0.27,796 0.629,797 0.809,798 0.894,799 0.899,800 0.899,801 5.227,802 2.046,803 6.094,804 5.943,805 4.71,806 5.273,807 3.62,808 6.919,809 4.629,810 6.457,811 1.675,812 7.671,813 5.646,814 4.443,815 5.316,816 2.373,817 8.038,818 4.256,819 7.796,820 1.4,821 9.357,822 4.957,823 6.361,824 7.558,825 5.338,826 11.062,827 6.161,828 9.174,829 1.263,830 11.112,831 3.175,832 6.889,833 8.423,834 4.137,835 13.034,836 6.547,837 10.589,838 1.114,839 12.914,840 3.09,841 8.326,842 10.208,843 7.33,844 15.666,845 7.961,846 12.029,847 1,848 14.75,849 2.783,850 9.213,851 11.442,852 5.754,853 17.973,854 8.697,855 13.492,856 1,857 16.614,858 2.275,859 10.478,860 13.065,861 9.419,862 20.505,863 9.913,864 3.399,865 0.581,866 18.499,867 2.275,868 11.531,869 14.466,870 7.317,871 22.939,872 10.821,873 3.073,874 12.527,875 20.402,876 1.409,877 12.738,878 16.03,879 11.547,880 25.449,881 11.953,882 2.785,883 10.315,884 22.319,885 4.701,886 13.869,887 17.504,888 8.856,889 27.932,890 12.947,891 2.531,892 8.648,893 24.248,894 4.469,895 15.061,896 19.046,897 13.693,898 30.443,899 14.046,900 2.48,901 7.078,902 26.186,903 3.442,904 16.228,905 20.552,906 10.386,907 32.947,908 15.083,909 2.161,910 6.94,911 28.132,912 3.234,913 17.421,914 22.087,915 15.848,916 35.461,917 16.169,918 2.08,919 6.277,920 30.085,921 3.008,922 18.607,923 23.608,924 11.914,925 37.975,926 17.229,927 20092,928 34639,929 25.542,930 43.284,931 58.531,932 64.386,933 60.155,934 58.087,935 57.803,936 76.118,937 19.092,938 167.802,939 55.745,940 5.854,941 7.253,942 6.993,943 5.387,944 5.399,945 7.701,946 5.9,947 19.918,948 5.024,949 20.056,950 1.501,951 1.651,952 1.542,953 1.489,954 1.482,955 1.952,956 0.49,957 4.303,958 1.429,959 4.121,960 4.125,961 4.743,962 4.116,963 7.714,964 4.041,965 4.057,966 4.054,967 4.043,968 4.009,969 7.455,970 3.984,971 3.891,972 3.922,973 3.805,974 3.794,975 7.426,976 3.788,977 3.706,978 3.721,979 3.719,980 3.61,981 6.999,982 3.573,983 3.54,984 3.583,985 3.496,986 3.444,987 6.464,988 3.435,989 3.494,990 3.495,991 3.428,992 3.291,993 4.992,994 3.291,995 3.264,996 3.318,997 3.165,998 3.092,999 4.805,1000 3.088,1001 3.233,1002 3.254,1003 3.137,1004 2.981,1005 4.405,1006 3.027,1007 0.124,1008 0.135,1009 0.187,1010 0.109,1011 0.087,1012 4.854,1013 0.121,1014 5.253,1015 0.076,1016 7.311,1017 0.321,1018 4.265,1019 0.078,1020 3.399,1021 4.701,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.395,1030 2.134,1031 1.984,1032 1.998,1033 2.062,1034 2.055,1035 1.282,1036 2.092,1037 1.877,1038 1.843,1039 1.971,1040 1.991,1041 1.267,1042 2.012,1043 1.632,1044 1.619,1045 1.752,1046 1.81,1047 1.003,1048 1.81,1049 1.544,1050 1.5,1051 1.742,1052 1.677,1053 0.832,1054 1.703,1055 1.336,1056 1.333,1057 1.542,1058 1.574,1059 0.825,1060 1.569,1061 1.235,1062 1.181,1063 1.513,1064 1.454,1065 0.698,1066 1.471,1067 1.153,1068 1.091,1069 1.327,1070 1.376,1071 0.599,1072 1.429,1073 4.369,1074 5.7,1076 7.222,1078 8.827,1080 10.477,1081 1.921,1082 9.993,1083 1.582,1085 5.915,1087 -1.046,1088 0.361,1091 41.367,1092 103.502,1093 241.417,1094 310.716,1095 343.245,1096 345.245,1097 345.245,1098 104.146,1099 7.972,1100 113.87,1101 122.25,1102 24,1103 12.722,1104 4.524,1105 3.858,1106 62.397,1107 190,1108 180,1109 0.157,1110 256.686,1111 457.73,1112 618.073,1113 37220,1114 25.709,1115 0.714,1116 0.577,1117 25.959,1118 20.778,1119 17.246,1120 0.442,1121 0.342,1122 11.699,1123 15.838,1124 11.261,1125 9.286,1126 18.067,1127 13.349,1128 16.04,1129 0.292,1130 0.199,1131 17.34,1132 10.932,1133 12.89,1134 0.187,1135 0.116,1136 13.981,1137 7.994,1138 10.154,1139 0.118,1140 0.067,1141 11.192,1142 5.749,1143 8.496,1144 0.077,1145 0.038,1146 9.473,1147 4.163,1148 0.254,1149 116.527,1150 0.198,1151 33.462,1152 0.412,1153 188,1154 608.978,1155 241.736,1156 600.081,1157 790.92,1158 552,1159 218,1160 533.63,1161 279.029,1162 570.935,1163 819.74,1164 533,1165 5.602} {0 CHEMBL99045,1 1.623,2 14.143,3 2.902,4 8.424,5 132.304,6 7.883,7 0.447,8 4.241,9 4.329,10 3.965,11 3.813,12 5.347,13 3.773,14 4.794,15 4.932,16 4.249,17 4.194,18 6,19 4.143,20 5.057,21 5.226,22 4.343,23 4.356,24 6.226,25 4.276,26 5.135,27 5.326,28 4.312,29 4.351,30 6.268,31 4.252,32 5.154,33 5.361,34 4.326,35 4.312,36 6.354,37 4.224,38 5.146,39 5.348,40 4.298,41 4.293,42 6.421,43 4.205,44 5.1,45 5.293,46 4.198,47 4.246,48 6.306,49 4.162,50 4.983,51 5.174,52 4.015,53 4.112,54 6.261,55 4.019,56 0.162,57 0.873,58 14.844,59 6.729,60 23.711,61 7.569,62 0.475,63 1.418,64 27.043,65 10.971,66 67.721,67 12.73,68 0.659,69 1.795,70 38.174,71 14.082,72 98.869,73 16.642,74 0.705,75 1.864,76 42.864,77 15.623,78 100.408,79 18.74,80 0.899,81 1.864,82 44.775,83 15.256,84 145.276,85 18.815,86 1.12,87 1.815,88 45.411,89 15.296,90 165.612,91 18.409,92 0.925,93 1.707,94 45.461,95 14.919,96 137.273,97 17.115,98 1.054,99 1.483,100 34.964,101 12.309,102 143.918,103 14.834,104 28,105 53,106 0.258,107 0.605,108 0.785,109 0.847,110 0.852,111 0.852,112 3.588,113 1.027,114 -3.48,115 -3.46,116 -3.3,117 41.3,118 1,119 2,123 4,124 1,127 1,128 1,133 9,134 2,135 2,136 2,140 1,144 1,147 11,149 2,150 10,154 12,157 13,158 1,160 1,161 8,163 2,164 12,166 1,167 7,169 1,170 8,171 2,173 2,174 11,176 5,177 9,181 2,182 11,185 4,187 1,188 2,189 14,191 4,192 7,197 12,200 7,201 1,204 2,206 2281,207 23.479,208 23.479,209 23.479,210 23.479,211 23.479,212 20.872,213 25.686,214 13.88,215 24.191,216 18.709,217 18.709,218 18.709,219 18.709,220 18.709,221 14.59,222 27.791,223 6.538,224 19.785,225 4.354,226 2.168,227 1.036,228 0.647,229 0.615,230 0.615,231 4.281,233 1064,234 4.528,236 485.247,238 187.163,239 2.302,240 51.873,241 1,242 0.83,243 1,244 0.8,245 0.5,246 1,247 1,248 0.88,249 77,250 495,251 4.854,252 5.253,253 7.311,254 4.264,255 3.399,256 4.701,257 2.95,258 12.527,259 3.024,260 4.529,261 4.159,262 6.531,263 4.057,264 3.073,265 4.469,266 2.001,267 10.315,268 2.921,269 3.99,270 3.203,271 6.044,272 3.737,273 2.773,274 3.442,275 1.151,276 8.644,277 2.663,278 3.885,279 3.028,280 5.389,281 3.443,282 2.501,283 3.204,284 0.86,285 7.069,286 2.356,287 3.574,288 2.906,289 5.29,290 3.354,291 2.386,292 3.008,293 0.68,294 6.724,295 2.289,296 3.546,297 2.745,298 5.201,299 3.143,300 2.161,301 2.855,302 0.586,303 6.277,304 2.123,305 3.474,306 2.654,307 5.016,308 3.048,309 2.08,310 2.608,312 5.943,313 2.005,314 3.117,315 2.343,316 4.816,317 2.63,318 1.679,319 2.328,320 4.957,321 1.58,322 2.889,323 2.27,324 4.041,325 2.433,326 1.518,327 2.077,328 3.418,329 1.389,330 2.701,331 2.22,332 3.862,333 2.393,334 1.4,335 1.663,336 3.098,337 1.385,338 2.513,339 1.919,340 3.605,341 2.151,342 1.194,343 1.517,344 2.819,345 1.122,346 2.5,347 1.435,348 3.569,349 2.092,350 1.111,351 1.5,352 2.762,353 1.085,354 2.439,355 1.401,356 3.414,357 2,358 1,359 1.338,360 2.275,361 1,362 2,363 1.306,364 3.247,365 1.969,366 1,367 1,368 2.136,369 0.963,370 1.842,371 1.049,372 3.239,373 1.488,374 0.58,375 0.71,376 1.408,377 0.521,378 16.633,379 0.475,380 0.905,381 0.026,382 44,383 1.257,384 22,385 0.629,386 22,387 0.629,388 31.737,389 0.907,390 38.567,391 0.612,392 37.77,393 1.079,394 8.717,395 0.249,396 8.136,397 0.232,398 0.11,399 0.05,400 0.265,401 0.624,402 1.218,403 0.818,404 1.181,405 0.667,406 0.977,407 0.938,408 1.088,409 0.992,410 1.032,411 0.651,412 0.961,413 1.055,414 1.08,415 1.136,416 1.096,417 0.892,418 1.054,419 1.01,420 1.121,421 1.095,422 1.145,423 1.125,424 1.1,425 0.934,426 0.999,427 0.95,428 1.022,429 1.024,430 0.974,431 1.013,432 0.907,433 1.057,434 0.968,435 0.963,436 0.925,437 1.364,438 0.949,439 1.26,440 1.069,441 1.564,442 0.972,443 1.288,444 0.873,445 1.035,446 0.854,447 1.668,448 1.036,449 8,450 0.252,451 4.222,452 2.313,453 2.16,454 1.41,455 0.855,456 0.542,457 0.368,458 0.286,459 19532,460 56322,461 2.051,462 44.4,464 19,466 1,467 1,468 3,469 4,471 1.765,472 1.918,473 3.72,474 -0.345,477 102.241,478 1.623,479 3.809,480 4.941,481 5.33,482 5.362,483 5.362,484 3.182,485 4.629,486 5.103,487 3.966,488 2359.99,489 8.942,490 38523.1,493 376.569,494 1.513,495 5.053,496 0.211,497 0.009,498 0.08,499 0.042,500 0.042,501 0.028,502 0.017,503 0.012,504 0.01,505 0.01,506 0.459,507 0.33,508 0.88,509 0.841,510 192.07,511 0.078,512 -0.048,513 0.168,514 -0.016,515 -0.084,516 0.024,517 -0.014,518 0.003,519 -0.024,520 0.022,521 0.088,522 0.009,523 -0.097,524 -0.023,525 -0.109,526 -0.047,527 -0.012,528 -0.077,529 -0.051,530 -0.12,531 -0.062,532 -0.109,533 -0.072,534 -0.107,535 0.063,536 -0.012,537 0.069,538 -0.029,539 0.062,540 0.011,541 0.109,542 0.072,543 0.02,544 0.049,545 0.15,546 0.053,547 -0.152,548 0.016,549 -0.127,550 -0.01,551 -0.184,552 0.009,553 -0.036,554 0.059,555 -0.13,556 0.053,557 -0.177,558 -0.091,559 4.701,560 6.024,561 0.629,562 41.424,563 1.012,564 1.12,565 2.252,566 5.073,567 0.671,568 3.664,569 3.989,570 4.22,571 4.443,572 4.673,573 4.691,574 4.727,575 4.771,576 4.898,577 4.92,578 8.463,579 0.641,580 496.63,581 3.664,582 5.209,583 6.047,584 6.923,585 7.779,586 8.658,587 9.52,588 10.401,589 11.266,590 12.148,591 3.2,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 63,609 21,610 2,611 38,612 66,613 26,614 15,615 4,616 8,618 4,619 5,621 1,623 2,625 3,627 18,628 8,630 4,632 1,633 3,634 2,636 1,639 28,640 8,641 1,642 9,643 1,644 2,646 0.75,647 6,648 1,651 4,653 1,661 1,662 1,663 1,665 1,666 1,667 3,669 1,670 1,671 35,672 1,674 1,675 6,677 2,679 1,680 1,684 9.5,685 1,687 3,688 1,689 1,690 18.25,691 11.35,692 7.708,693 3.634,694 3.773,695 1.478,696 0.955,697 8.065,698 11.673,699 3.942,700 4.543,701 5.058,702 5.594,703 6.139,704 6.391,705 6.668,706 6.922,707 7.332,708 7.449,709 1,710 55,711 13.302,712 6.015,713 7.955,714 24.613,715 20.465,716 2.455,717 85.917,719 317.82,720 161.014,721 16.786,722 134.263,723 6.046,724 154.968,725 452.083,726 16.786,727 8.825,728 19.746,729 143.614,730 120.01,731 31.639,733 306.049,734 317.82,735 171.754,736 134.263,737 6.046,738 270.735,739 127.542,740 53.806,741 33.472,742 112.02,743 32.308,745 317.82,746 151.049,747 161.014,748 6.046,749 317.82,750 40.385,751 114.583,753 151.049,754 317.82,755 151.049,756 161.014,757 0.581,758 0.335,759 0.175,760 0.099,761 24,762 11,763 0.121,764 8,765 1,766 1.091,767 4.561,768 321.23,769 0.091,770 22,771 169.525,773 1,774 25.179,775 11.211,776 6.4,777 1.9,778 151.049,779 15.962,780 4.533,783 2.498,784 42.806,785 629.883,786 50.5,788 -3.784,789 37.201,790 1.866,792 0.958,793 63.731,794 70.571,795 0.272,796 0.637,797 0.827,798 0.892,799 0.897,800 0.897,801 5.183,802 1.679,803 6.052,804 5.943,805 4.673,806 5.231,807 3.446,808 6.876,809 4.566,810 6.406,811 1.518,812 7.626,813 4.957,814 4.369,815 5.255,816 1.404,817 8.003,818 4.149,819 7.742,820 1.4,821 9.313,822 3.418,823 6.319,824 7.524,825 5.201,826 11.036,827 6.076,828 9.121,829 1.194,830 11.071,831 3.098,832 6.836,833 8.392,834 3.056,835 13.021,836 6.45,837 10.538,838 1.111,839 12.879,840 2.819,841 8.29,842 10.189,843 7.25,844 15.656,845 7.872,846 11.984,847 1,848 14.721,849 2.762,850 9.177,851 11.428,852 4.603,853 17.968,854 8.611,855 13.452,856 1,857 16.591,858 2.275,859 10.45,860 13.056,861 9.374,862 20.501,863 9.83,864 3.399,865 0.58,866 18.481,867 2.136,868 11.507,869 14.46,870 6.085,871 22.937,872 10.745,873 3.073,874 12.527,875 20.388,876 1.408,877 12.719,878 16.026,879 11.523,880 25.448,881 11.878,882 2.773,883 10.315,884 22.308,885 4.701,886 13.852,887 17.501,888 7.53,889 27.932,890 12.88,891 2.501,892 8.644,893 24.24,894 4.469,895 15.048,896 19.044,897 13.68,898 30.443,899 13.98,900 2.386,901 7.069,902 26.18,903 3.442,904 16.217,905 20.551,906 8.954,907 32.946,908 15.024,909 2.161,910 6.724,911 28.128,912 3.204,913 17.412,914 22.086,915 15.841,916 35.461,917 16.112,918 2.08,919 6.277,920 30.082,921 3.008,922 18.6,923 23.607,924 10.364,925 37.975,926 17.177,927 18573,928 31729,929 25.137,930 42.284,931 56.584,932 62.135,933 57.996,934 56.323,935 56.072,936 73.355,937 16.456,938 161.229,939 53.248,940 5.854,941 7.253,942 7.113,943 5.386,944 5.399,945 7.701,946 5.9,947 19.918,948 5.024,949 17.749,950 1.489,951 1.635,952 1.526,953 1.482,954 1.476,955 1.93,956 0.433,957 4.243,958 1.401,959 4.12,960 4.124,961 4.743,962 4.115,963 7.714,964 4.04,965 4.057,966 4.052,967 4.042,968 4.009,969 7.455,970 3.984,971 3.853,972 3.887,973 3.762,974 3.742,975 6.999,976 3.74,977 3.688,978 3.699,979 3.714,980 3.591,981 6.464,982 3.548,983 3.535,984 3.582,985 3.453,986 3.443,987 4.993,988 3.433,989 3.479,990 3.485,991 3.427,992 3.22,993 4.805,994 3.237,995 3.263,996 3.318,997 3.139,998 3.09,999 4.643,1000 3.087,1001 3.139,1002 3.206,1003 3.039,1004 2.941,1005 4.404,1006 2.91,1007 0.128,1008 0.138,1009 0.192,1010 0.112,1011 0.089,1012 4.854,1013 0.124,1014 5.253,1015 0.078,1016 7.311,1017 0.33,1018 4.264,1019 0.08,1020 3.399,1021 4.701,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.367,1030 2.134,1031 1.982,1032 1.997,1033 2.022,1034 2.049,1035 1.272,1036 2.088,1037 1.831,1038 1.796,1039 1.967,1040 1.971,1041 1.238,1042 1.983,1043 1.603,1044 1.595,1045 1.75,1046 1.793,1047 0.991,1048 1.795,1049 1.542,1050 1.498,1051 1.718,1052 1.677,1053 0.832,1054 1.702,1055 1.308,1056 1.291,1057 1.541,1058 1.573,1059 0.825,1060 1.563,1061 1.229,1062 1.178,1063 1.513,1064 1.452,1065 0.696,1066 1.471,1067 1.153,1068 1.064,1069 1.293,1070 1.376,1071 0.542,1072 1.429,1073 4.344,1074 5.666,1076 7.185,1078 8.789,1080 10.438,1081 1.93,1082 9.976,1083 2.231,1085 11.226,1087 -0.982,1088 0.401,1091 40.367,1092 102.241,1093 239.986,1094 311.284,1095 335.814,1096 337.814,1097 337.814,1098 90.407,1099 7.9,1100 106.03,1101 114.41,1102 24,1103 12.686,1104 4.459,1105 3.755,1106 59.735,1107 181,1108 154,1109 0.159,1110 250.021,1111 443.07,1112 601.811,1113 33865,1114 24.838,1115 0.71,1116 0.579,1117 25.088,1118 20.278,1119 16.853,1120 0.443,1121 0.342,1122 11.34,1123 15.368,1124 10.923,1125 8.999,1126 17.674,1127 13.015,1128 15.418,1129 0.291,1130 0.198,1131 16.719,1132 10.506,1133 12.479,1134 0.186,1135 0.115,1136 13.57,1137 7.679,1138 10.012,1139 0.119,1140 0.066,1141 11.05,1142 5.533,1143 8.205,1144 0.077,1145 0.037,1146 9.182,1147 3.929,1148 0.256,1149 114.587,1150 0.199,1151 32.676,1152 0.417,1153 182,1154 592.978,1155 236.511,1156 579.746,1157 768.08,1158 536,1159 211,1160 517.63,1161 273.025,1162 554.217,1163 798.62,1164 517,1165 5.523} {0 CHEMBL99365,1 1.604,2 14.778,3 3.224,4 10.395,5 134.701,6 7.737,7 0.436,8 4.278,9 4.371,10 3.981,11 3.863,12 5.372,13 3.814,14 4.845,15 4.991,16 4.281,17 4.265,18 6.023,19 4.2,20 5.171,21 5.357,22 4.385,23 4.436,24 6.31,25 4.343,26 5.266,27 5.475,28 4.343,29 4.428,30 6.347,31 4.315,32 5.252,33 5.47,34 4.353,35 4.377,36 6.428,37 4.277,38 5.209,39 5.414,40 4.317,41 4.344,42 6.483,43 4.251,44 5.147,45 5.345,46 4.222,47 4.313,48 6.338,49 4.217,50 5.057,51 5.254,52 4.109,53 4.193,54 6.331,55 4.098,56 0.151,57 0.916,58 15.766,59 7.121,60 25.007,61 8.23,62 0.376,63 1.521,64 28.384,65 11.918,66 70.107,67 14.413,68 0.676,69 1.992,70 43.515,71 15.798,72 124.588,73 19.344,74 0.841,75 2.081,76 51.142,77 17.671,78 139.051,79 21.567,80 0.992,81 2.023,82 51.113,83 16.861,84 179.631,85 20.972,86 1.135,87 1.917,88 48.469,89 16.13,90 191.137,91 19.562,92 0.804,93 1.811,94 46.56,95 15.777,96 138.559,97 18.574,98 0.872,99 1.61,100 38.773,101 13.51,102 158.614,103 16.409,104 39,105 55,106 0.253,107 0.586,108 0.778,109 0.85,110 0.855,111 0.855,112 3.615,113 1.05,114 -3.68,115 -3.65,116 -3.48,117 40.9,118 1,119 5,120 1,123 2,124 1,133 9,134 2,135 2,136 2,139 1,140 1,144 1,147 13,149 2,150 10,154 15,157 14,158 1,160 1,161 12,163 2,164 12,166 1,167 7,169 1,170 11,171 2,173 2,174 11,176 4,177 9,181 4,182 11,184 1,185 10,188 2,189 14,191 1,192 7,194 1,197 16,199 3,200 5,201 1,204 6,206 2516,207 23.927,208 23.927,209 23.927,210 23.927,211 23.927,212 21.397,213 23.307,214 13.966,215 24.449,216 19.175,217 19.175,218 19.175,219 19.175,220 19.175,221 15.164,222 21.631,223 6.574,224 19.968,225 4.441,226 2.321,227 1.103,228 0.648,229 0.617,230 0.617,231 4.307,233 1141,234 4.583,236 503.544,238 194.997,239 2.37,240 57.701,241 0.75,242 0.83,243 0.67,244 0.7,245 0.5,246 0.83,247 1,248 0.75,249 79,250 532,251 4.853,252 5.252,253 7.311,254 4.265,255 3.399,256 4.7,257 2.95,258 12.527,259 3.024,260 4.529,261 4.144,262 6.531,263 4.057,264 3.073,265 4.469,266 2.178,267 10.315,268 2.922,269 3.91,270 3.628,271 6.045,272 3.758,273 2.785,274 3.44,275 1.971,276 8.648,277 2.714,278 3.823,279 3.203,280 5.392,281 3.525,282 2.531,283 3.008,284 1.151,285 7.078,286 2.506,287 3.68,288 2.932,289 5.366,290 3.427,291 2.48,292 2.918,293 0.466,294 6.94,295 2.324,296 3.573,297 2.758,298 5.201,299 3.143,300 2.161,301 2.856,303 6.277,304 2.123,305 3.474,306 2.654,307 5.016,308 3.072,309 2.08,310 2.78,312 5.943,313 2.085,314 3.224,315 2.454,316 4.882,317 3.047,318 2.046,319 2.33,320 5.646,321 2.005,322 3.117,323 2.342,324 4.816,325 2.626,326 1.675,327 2.245,328 4.957,329 1.576,330 2.889,331 2.248,332 4.009,333 2.393,334 1.4,335 2.077,336 3.175,337 1.389,338 2.572,339 1.775,340 3.861,341 2.27,342 1.263,343 1.52,344 3.09,345 1.261,346 2.512,347 1.432,348 3.604,349 2.095,350 1.114,351 1.5,352 2.783,353 1.089,354 2.5,355 1.398,356 3.414,357 2,358 1,359 1.463,360 2.275,361 1,362 2,363 1.147,364 3.414,365 2,366 1,367 1,368 2.275,369 1,370 1.842,371 1.052,372 3.26,373 1.489,374 0.581,375 0.71,376 1.409,377 0.521,378 17.133,379 0.476,380 1.012,381 0.028,382 44.75,383 1.243,384 22.5,385 0.625,386 22.25,387 0.618,388 34.743,389 0.965,390 39.867,391 0.604,392 38.035,393 1.057,394 8.416,395 0.234,396 8.83,397 0.245,398 0.126,399 0.049,400 0.286,401 0.558,402 1.2,403 0.826,404 1.169,405 0.617,406 0.988,407 0.721,408 1.159,409 0.953,410 1.106,411 0.578,412 1.027,413 1.01,414 1.081,415 1.103,416 1.092,417 0.909,418 1.061,419 1.092,420 1.055,421 1.133,422 1.098,423 1.099,424 1.058,425 1.011,426 0.967,427 1.006,428 1.011,429 1.038,430 0.958,431 1.125,432 0.917,433 1.087,434 0.959,435 1.033,436 0.932,437 1.324,438 0.964,439 1.247,440 1.063,441 1.4,442 0.986,443 1.337,444 0.931,445 1.028,446 0.927,447 1.582,448 1.033,449 9,450 0.285,451 4.667,452 2.375,453 2.351,454 1.465,455 0.935,456 0.604,457 0.459,458 0.326,459 21069,460 60215,461 2.033,462 45.5,463 5,464 14,466 1,467 1,468 7,469 2,471 1.772,472 1.886,473 3.775,474 -0.355,477 105.832,478 1.604,479 3.723,480 4.941,481 5.397,482 5.427,483 5.427,484 3.251,485 4.781,486 5.143,487 4.019,488 2532.23,489 9.023,490 42209.1,493 398.93,494 1.574,495 5.086,496 0.231,497 0.009,498 0.085,499 0.042,500 0.045,501 0.028,502 0.018,503 0.012,504 0.011,505 0.01,506 0.491,507 0.33,508 0.88,509 0.862,510 199.488,511 0.085,512 -0.015,513 0.162,514 0.011,515 -0.057,516 0.036,517 0.055,518 -0.055,519 -0.004,520 -0.038,521 0.103,522 -0.028,523 -0.075,524 -0.036,525 -0.086,526 -0.057,527 -0.022,528 -0.076,529 -0.076,530 -0.068,531 -0.066,532 -0.064,533 -0.102,534 -0.067,535 0.036,536 0.01,537 0.048,538 -0.008,539 0.006,540 0.025,541 0.05,542 0.058,543 -0.013,544 0.051,545 0.072,546 0.039,547 -0.167,548 0.014,549 -0.131,550 -0.006,551 -0.169,552 -0.001,553 -0.123,554 0.012,555 -0.087,556 0.012,557 -0.183,558 -0.076,559 4.702,560 6.076,561 0.611,562 44.117,563 1.009,564 1.121,565 2.453,566 6.019,567 0.667,568 3.689,569 4.025,570 4.248,571 4.466,572 4.71,573 4.727,574 4.762,575 4.82,576 4.956,577 4.949,578 8.687,579 0.635,580 510.66,581 3.689,582 5.242,583 6.08,584 6.957,585 7.814,586 8.694,587 9.557,588 10.437,589 11.303,590 12.184,591 3,594 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 66,609 21,610 2,611 39,612 69,613 27,614 15,615 4,616 8,618 4,619 5,621 1,623 4,624 1,625 6,627 17,628 10,629 1,630 4,632 1,633 4,634 1,636 1,639 30,640 8,641 1,642 9,643 1,644 2,646 0.75,647 6,648 1,651 4,653 1,656 1,663 1,665 1,667 3,669 1,670 1,671 36,672 1,674 1,675 7,677 1,679 2,680 1,684 9.1,685 1,687 4,689 1,690 19.083,691 11.85,692 7.875,693 3.982,694 3.519,695 1.441,696 0.95,697 8.278,698 11.491,699 3.961,700 4.554,701 5.045,702 5.568,703 6.11,704 6.352,705 6.631,706 6.888,707 7.307,708 7.397,709 0.9,710 57,711 13.729,712 6.278,713 8.007,714 25.431,715 21.553,716 2.507,717 90.25,719 341.362,720 151.905,721 16.786,722 148.408,723 6.046,724 145.859,725 489.77,726 16.786,727 8.825,728 18.165,729 134.138,730 139.288,731 28.453,733 329.591,734 341.362,735 162.644,736 148.408,737 6.046,738 317.82,739 129.145,740 42.806,741 31.891,742 113.968,743 22.831,745 341.362,746 165.194,747 151.905,748 6.046,749 341.362,750 40.752,751 105.107,753 165.194,754 341.362,755 165.194,756 151.905,757 0.586,758 0.336,759 0.171,760 0.1,761 25,762 12,763 0.13,764 9,765 1,766 1.091,767 4.621,768 333.733,769 0.091,770 22,771 176.117,773 1,774 26.125,775 11.407,776 6.642,777 1.889,778 165.194,779 15.928,780 4.532,783 2.478,784 42.806,785 658.46,786 51.5,788 -3.786,789 48.857,790 0.232,792 0.196,793 66.614,794 73.986,795 0.265,796 0.616,797 0.818,798 0.893,799 0.898,800 0.898,801 5.211,802 2.046,803 6.094,804 5.943,805 4.71,806 5.242,807 3.58,808 6.919,809 4.629,810 6.432,811 1.675,812 7.671,813 5.646,814 4.443,815 5.286,816 2.373,817 8.038,818 4.256,819 7.766,820 1.4,821 9.357,822 4.957,823 6.361,824 7.517,825 5.327,826 11.062,827 6.161,828 9.14,829 1.263,830 11.112,831 3.175,832 6.889,833 8.394,834 4.114,835 13.034,836 6.547,837 10.552,838 1.114,839 12.914,840 3.09,841 8.326,842 10.175,843 7.325,844 15.666,845 7.961,846 11.992,847 1,848 14.75,849 2.783,850 9.213,851 11.421,852 5.72,853 17.973,854 8.697,855 13.455,856 1,857 16.614,858 2.275,859 10.478,860 13.045,861 9.416,862 20.505,863 9.913,864 3.399,865 0.581,866 18.499,867 2.275,868 11.531,869 14.453,870 7.277,871 22.939,872 10.821,873 3.073,874 12.527,875 20.402,876 1.409,877 12.738,878 16.019,879 11.545,880 25.449,881 11.953,882 2.785,883 10.315,884 22.319,885 4.7,886 13.869,887 17.496,888 8.813,889 27.932,890 12.947,891 2.531,892 8.648,893 24.248,894 4.469,895 15.061,896 19.04,897 13.692,898 30.443,899 14.046,900 2.48,901 7.078,902 26.186,903 3.44,904 16.228,905 20.548,906 10.341,907 32.947,908 15.083,909 2.161,910 6.94,911 28.132,912 3.008,913 17.421,914 22.084,915 15.847,916 35.461,917 16.169,918 2.08,919 6.277,920 30.085,921 2.918,922 18.607,923 23.605,924 11.868,925 37.975,926 17.229,927 20092,928 34144,929 25.542,930 44.046,931 58.276,932 64.538,933 60.155,934 58.087,935 57.803,936 74.84,937 17.431,938 167.802,939 55.745,940 5.853,941 7.252,942 6.993,943 5.387,944 5.399,945 7.7,946 5.9,947 19.918,948 5.024,949 20.056,950 1.494,951 1.655,952 1.542,953 1.489,954 1.482,955 1.919,956 0.447,957 4.303,958 1.429,959 4.121,960 4.126,961 4.743,962 4.115,963 7.714,964 4.041,965 4.057,966 4.054,967 4.043,968 4.009,969 7.455,970 3.983,971 3.895,972 3.932,973 3.789,974 3.786,975 7.426,976 3.777,977 3.714,978 3.733,979 3.72,980 3.615,981 6.999,982 3.581,983 3.543,984 3.584,985 3.506,986 3.444,987 6.464,988 3.435,989 3.501,990 3.503,991 3.428,992 3.305,993 4.992,994 3.298,995 3.269,996 3.319,997 3.159,998 3.092,999 4.805,1000 3.088,1001 3.254,1002 3.293,1003 3.137,1004 2.991,1005 4.404,1006 3.032,1007 0.124,1008 0.135,1009 0.187,1010 0.109,1011 0.087,1012 4.853,1013 0.121,1014 5.252,1015 0.076,1016 7.311,1017 0.321,1018 4.265,1019 0.078,1020 3.399,1021 4.7,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.502,1030 2.135,1031 1.984,1032 1.997,1033 2.094,1034 2.065,1035 1.301,1036 2.1,1037 1.883,1038 1.843,1039 1.972,1040 2.002,1041 1.27,1042 2.029,1043 1.646,1044 1.629,1045 1.785,1046 1.826,1047 1.045,1048 1.826,1049 1.545,1050 1.501,1051 1.748,1052 1.678,1053 0.834,1054 1.703,1055 1.353,1056 1.348,1057 1.542,1058 1.576,1059 0.825,1060 1.582,1061 1.239,1062 1.182,1063 1.513,1064 1.461,1065 0.758,1066 1.473,1067 1.153,1068 1.109,1069 1.407,1070 1.428,1071 0.687,1072 1.429,1073 4.369,1074 5.7,1076 7.222,1078 8.827,1080 10.477,1081 1.925,1082 10.037,1083 2.402,1085 5.924,1087 -0.8,1088 0.437,1091 41.894,1092 105.832,1093 245.716,1094 326.136,1095 356.175,1096 358.175,1097 358.175,1098 108.277,1099 7.972,1100 113.87,1101 122.25,1102 24,1103 12.722,1104 4.459,1105 3.755,1106 62.397,1107 190,1108 180,1109 0.157,1110 259.613,1111 460.37,1112 625.216,1113 37220,1114 25.709,1115 0.714,1116 0.583,1117 25.959,1118 20.986,1119 17.246,1120 0.442,1121 0.35,1122 12.003,1123 15.838,1124 11.567,1125 9.543,1126 18.067,1127 13.653,1128 16.04,1129 0.292,1130 0.207,1131 17.34,1132 11.373,1133 12.89,1134 0.187,1135 0.123,1136 13.981,1137 8.483,1138 10.154,1139 0.118,1140 0.073,1141 11.192,1142 6.265,1143 8.496,1144 0.077,1145 0.042,1146 9.473,1147 4.666,1148 0.254,1149 116.527,1150 0.198,1151 33.462,1152 0.412,1153 188,1154 596.978,1155 241.736,1156 587.44,1157 773.05,1158 540,1159 218,1160 520.63,1161 279.029,1162 557.11,1163 799.19,1164 520,1165 6.456} {0 CHEMBL99995,1 1.658,2 15.405,3 3.196,4 10.215,5 138.805,6 7.934,7 0.425,8 4.288,9 4.379,10 4.005,11 3.86,12 5.453,13 3.819,14 4.817,15 4.959,16 4.291,17 4.25,18 6.023,19 4.194,20 5.111,21 5.284,22 4.406,23 4.416,24 6.285,25 4.338,26 5.218,27 5.409,28 4.371,29 4.407,30 6.373,31 4.315,32 5.222,33 5.434,34 4.362,35 4.363,36 6.426,37 4.273,38 5.186,39 5.396,40 4.325,41 4.338,42 6.448,43 4.246,44 5.132,45 5.328,46 4.234,47 4.307,48 6.323,49 4.218,50 5.048,51 5.243,52 4.14,53 4.199,54 6.293,55 4.112,56 0.229,57 0.934,58 15.336,59 6.893,60 32.014,61 7.813,62 0.411,63 1.51,64 26.731,65 11.291,66 66.49,67 13.474,68 0.639,69 1.94,70 39.285,71 14.571,72 103.975,73 17.579,74 0.861,75 2.01,76 46.362,77 16.312,78 125.682,79 19.466,80 1.007,81 1.969,82 48.061,83 16.19,84 167.397,85 20.034,86 1.103,87 1.899,88 47.107,89 15.901,90 173.568,91 19.461,92 0.844,93 1.807,94 45.577,95 15.413,96 140.777,97 17.878,98 0.893,99 1.641,100 37.303,101 12.903,102 137.347,103 15.732,104 42,105 56,106 0.26,107 0.61,108 0.775,109 0.852,110 0.857,111 0.857,112 3.642,113 1.018,114 -3.69,115 -3.65,116 -3.48,117 40.9,118 1,119 4,123 2,124 1,127 1,128 1,133 9,134 2,135 2,136 2,139 1,140 1,144 2,147 13,149 2,150 10,154 15,157 14,158 1,160 3,161 12,163 2,164 12,166 3,167 7,169 1,170 11,171 2,173 3,174 11,176 4,177 9,181 5,182 11,184 1,185 10,188 2,189 14,191 1,192 7,194 2,197 16,199 3,200 5,201 1,202 1,204 6,206 2768,207 24.797,208 24.797,209 24.797,210 24.797,211 24.797,212 21.742,213 26.746,214 14.464,215 25.429,216 19.602,217 19.602,218 19.602,219 19.602,220 19.602,221 15.033,222 28.251,223 6.713,224 20.536,225 4.387,226 2.16,227 1.11,228 0.617,229 0.587,230 0.587,231 4.333,233 1220,234 4.69,236 522.338,238 202.921,239 2.503,240 55.106,241 0.75,242 0.67,243 0.83,244 0.7,245 0.5,246 0.83,247 1,248 0.75,249 81.5,250 570,251 4.854,252 5.253,253 7.311,254 4.265,255 3.399,256 4.701,257 2.95,258 12.527,259 3.024,260 4.529,261 4.159,262 6.531,263 4.057,264 3.073,265 4.469,266 2.16,267 10.315,268 2.922,269 4.024,270 3.773,271 6.045,272 3.759,273 2.789,274 3.442,275 2.001,276 8.651,277 2.699,278 3.894,279 3.203,280 5.452,281 3.535,282 2.565,283 3.261,284 1.151,285 7.203,286 2.478,287 3.769,288 3.032,289 5.387,290 3.428,291 2.489,292 3.008,293 0.68,294 7.055,295 2.322,296 3.573,297 2.912,298 5.201,299 3.143,300 2.161,301 2.974,302 0.586,303 6.278,304 2.123,305 3.478,306 2.754,307 5.087,308 3.1,309 2.121,310 2.855,311 0.466,312 6.162,313 2.071,314 3.464,315 2.654,316 5.016,317 3.048,318 2.08,319 2.56,320 5.943,321 2.005,322 3.117,323 2.51,324 4.816,325 2.626,326 1.676,327 2.327,328 4.957,329 1.576,330 2.889,331 2.342,332 4.015,333 2.393,334 1.4,335 2.077,336 3.19,337 1.389,338 2.58,339 2.251,340 3.861,341 2.276,342 1.274,343 1.52,344 3.092,345 1.267,346 2.512,347 1.99,348 3.604,349 2.095,350 1.114,351 1.5,352 2.783,353 1.089,354 2.5,355 1.435,356 3.414,357 2,358 1,359 1.474,360 2.275,361 1,362 2,363 1.402,364 3.414,365 2,366 1,367 1,368 2.275,369 1,370 1.905,371 1.263,372 3.267,373 1.565,374 0.589,375 0.712,376 1.41,377 0.569,378 17.533,379 0.474,380 0.974,381 0.026,382 46.5,383 1.257,384 23.5,385 0.635,386 23,387 0.622,388 34.788,389 0.94,390 40.667,391 0.616,392 40.564,393 1.096,394 9.198,395 0.249,396 8.586,397 0.232,398 0.124,399 0.048,400 0.279,401 0.598,402 1.145,403 0.824,404 1.12,405 0.683,406 0.95,407 0.721,408 1.137,409 0.946,410 1.079,411 0.575,412 0.995,413 0.952,414 1.117,415 1.113,416 1.136,417 0.829,418 1.084,419 1.157,420 1.075,421 1.142,422 1.12,423 1.166,424 1.1,425 0.99,426 0.963,427 0.962,428 1.006,429 1.024,430 0.971,431 0.963,432 0.909,433 1.033,434 0.97,435 0.866,436 0.921,437 1.328,438 0.944,439 1.26,440 1.067,441 1.462,442 0.987,443 1.316,444 0.94,445 1.041,446 0.923,447 1.62,448 1.043,449 9,450 0.285,451 4.667,452 2.375,453 2.391,454 1.528,455 0.935,456 0.604,457 0.483,458 0.386,459 22762,460 67981,461 2.032,462 43.9,463 4,464 15,466 1,467 2,468 7,471 1.778,472 1.889,473 3.828,474 0.189,477 109.402,478 1.658,479 3.884,480 4.934,481 5.427,482 5.457,483 5.457,484 3.352,485 4.811,486 5.181,487 4.075,488 2713.93,489 9.101,490 46269.1,493 398.93,494 1.556,495 5.128,496 0.225,497 0.008,498 0.083,499 0.04,500 0.044,501 0.029,502 0.018,503 0.012,504 0.011,505 0.01,506 0.481,507 0.33,508 0.75,509 0.935,510 207.063,511 0.11,512 0.037,513 0.152,514 0.045,515 -0.059,516 0.046,517 0.042,518 -0.028,519 -0.005,520 -0.009,521 0.099,522 -0.005,523 -0.071,524 -0.049,525 -0.104,526 -0.086,527 -0.013,528 -0.101,529 -0.109,530 -0.083,531 -0.106,532 -0.095,533 -0.116,534 -0.118,535 0.039,536 -0.005,537 0.063,538 -0.009,539 0.032,540 0.022,541 0.097,542 0.053,543 0.041,544 0.057,545 0.142,546 0.075,547 -0.194,548 0.026,549 -0.141,550 0.001,551 -0.197,552 0.005,553 -0.144,554 0.015,555 -0.104,556 0.015,557 -0.242,558 -0.086,559 4.748,560 6.095,561 0.595,562 47.069,563 1.013,564 1.122,565 2.456,566 6.034,567 0.671,568 3.714,569 4.043,570 4.277,571 4.489,572 4.727,573 4.762,574 4.796,575 4.852,576 4.997,577 5.004,578 8.942,579 0.642,580 523.66,581 3.714,582 5.263,583 6.103,584 6.978,585 7.836,586 8.714,587 9.577,588 10.457,589 11.323,590 12.204,591 4.5,594 1,596 1,597 1,598 2,599 9,600 1,603 4,604 17,607 1,608 66,609 22,610 2,611 40,612 69,613 27,614 15,615 4,616 8,618 4,619 5,621 1,623 4,625 5,627 19,628 8,630 5,632 1,633 3,634 2,635 1,636 2,639 29,640 9,641 2,642 10,643 1,644 3,646 0.75,647 6,648 1,651 4,653 1,655 1,661 1,662 1,663 1,665 2,667 3,669 1,670 1,671 37,672 1,674 2,675 6,677 1,679 1,680 1,684 9.1,685 1,687 3,689 2,690 19.583,691 11.833,692 8.208,693 3.808,694 3.957,695 1.492,696 0.942,697 8.597,698 11.996,699 3.998,700 4.605,701 5.107,702 5.624,703 6.173,704 6.431,705 6.703,706 6.961,707 7.383,708 7.494,709 1,710 59,711 14.031,712 6.353,713 8.016,714 25.838,715 21.54,716 2.516,717 93.083,719 317.82,720 159.655,721 30.033,722 166.069,723 6.046,724 153.609,725 483.889,726 30.033,727 8.825,728 15.63,729 143.614,730 111.767,731 87.692,733 306.049,734 317.82,735 183.642,736 166.069,737 6.046,738 317.82,739 123.263,740 42.806,741 42.604,742 114.777,743 32.308,745 317.82,746 196.102,747 159.655,748 6.046,749 317.82,750 39.026,751 114.583,753 196.102,754 317.82,755 196.102,756 159.655,757 0.582,758 0.339,759 0.173,760 0.098,761 25,762 12,763 0.116,764 8,765 1,766 1.091,767 4.706,768 345.124,769 0.091,770 22,771 182.75,773 1,774 26.806,775 11.867,776 6.748,777 1.879,778 196.102,779 15.858,780 4.531,783 2.432,784 85.611,785 673.577,786 53.5,788 -3.832,789 37.414,790 1.806,791 3.231,792 1.572,793 66.832,794 74.069,795 0.274,796 0.643,797 0.816,798 0.898,799 0.903,800 0.903,801 5.243,802 2.08,803 6.111,804 6.162,805 4.727,806 5.293,807 3.664,808 6.936,809 4.635,810 6.473,811 1.676,812 7.688,813 5.943,814 4.443,815 5.316,816 1.882,817 8.055,818 4.23,819 7.812,820 1.4,821 9.374,822 4.957,823 6.378,824 7.579,825 5.378,826 11.077,827 6.157,828 9.191,829 1.274,830 11.129,831 3.19,832 6.899,833 8.432,834 3.695,835 13.046,836 6.528,837 10.606,838 1.114,839 12.93,840 3.092,841 8.341,842 10.222,843 7.354,844 15.674,845 7.952,846 12.046,847 1,848 14.765,849 2.783,850 9.224,851 11.45,852 5.364,853 17.979,854 8.68,855 13.508,856 1,857 16.627,858 2.275,859 10.489,860 13.074,861 9.431,862 20.508,863 9.9,864 3.399,865 0.589,866 18.511,867 2.275,868 11.54,869 14.471,870 6.969,871 22.941,872 10.804,873 3.073,874 12.527,875 20.412,876 1.41,877 12.747,878 16.034,879 11.552,880 25.451,881 11.938,882 2.789,883 10.315,884 22.327,885 4.701,886 13.876,887 17.507,888 8.542,889 27.933,890 12.931,891 2.565,892 8.651,893 24.255,894 4.469,895 15.067,896 19.048,897 13.695,898 30.444,899 14.031,900 2.489,901 7.203,902 26.192,903 3.442,904 16.233,905 20.554,906 10.098,907 32.947,908 15.068,909 2.161,910 7.055,911 28.137,912 3.261,913 17.425,914 22.088,915 15.849,916 35.461,917 16.155,918 2.121,919 6.278,920 30.089,921 3.008,922 18.611,923 23.609,924 11.644,925 37.975,926 17.215,927 21759,928 37795,929 26.235,930 44.29,931 59.697,932 66.853,933 61.504,934 59.219,935 58.948,936 77.588,937 19.988,938 170.612,939 56.498,940 5.854,941 7.253,942 6.993,943 5.387,944 5.399,945 7.701,946 5.9,947 19.918,948 5.024,949 20.474,950 1.492,951 1.671,952 1.538,953 1.48,954 1.474,955 1.94,956 0.5,957 4.265,958 1.412,959 4.121,960 4.126,961 4.743,962 4.116,963 7.714,964 4.041,965 4.057,966 4.054,967 4.043,968 4.009,969 7.455,970 3.984,971 3.89,972 3.928,973 3.805,974 3.796,975 6.999,976 3.789,977 3.707,978 3.726,979 3.719,980 3.611,981 6.543,982 3.574,983 3.54,984 3.584,985 3.5,986 3.444,987 6.464,988 3.435,989 3.496,990 3.499,991 3.428,992 3.299,993 4.992,994 3.296,995 3.272,996 3.319,997 3.198,998 3.092,999 4.805,1000 3.088,1001 3.257,1002 3.302,1003 3.138,1004 2.997,1005 4.454,1006 3.044,1007 0.121,1008 0.131,1009 0.183,1010 0.107,1011 0.085,1012 4.854,1013 0.118,1014 5.253,1015 0.074,1016 7.311,1017 0.313,1018 4.265,1019 0.076,1020 3.399,1021 4.701,1022 2.95,1023 12.527,1024 3.024,1025 2.05,1026 2.03,1027 2.127,1028 2.133,1029 1.403,1030 2.134,1031 1.984,1032 1.998,1033 2.063,1034 2.055,1035 1.287,1036 2.092,1037 1.879,1038 1.841,1039 1.971,1040 1.992,1041 1.268,1042 2.014,1043 1.634,1044 1.619,1045 1.753,1046 1.813,1047 1.005,1048 1.812,1049 1.544,1050 1.5,1051 1.743,1052 1.678,1053 0.832,1054 1.703,1055 1.341,1056 1.335,1057 1.542,1058 1.574,1059 0.825,1060 1.571,1061 1.237,1062 1.181,1063 1.513,1064 1.457,1065 0.699,1066 1.472,1067 1.153,1068 1.1,1069 1.343,1070 1.421,1071 0.616,1072 1.429,1073 4.394,1074 5.72,1076 7.241,1078 8.846,1080 10.495,1081 1.922,1082 18.954,1083 2.055,1085 5.924,1087 -1.038,1088 0.374,1091 42.388,1092 109.402,1093 256.347,1094 325.646,1095 358.175,1096 360.175,1097 360.175,1098 104.574,1099 8.04,1100 129.39,1101 137.77,1102 24,1103 12.743,1104 4.524,1105 3.858,1106 65.111,1107 200,1108 206,1109 0.155,1110 263.48,1111 468.73,1112 634.651,1113 40777,1114 26.416,1115 0.714,1116 0.575,1117 26.666,1118 21.265,1119 17.784,1120 0.445,1121 0.339,1122 11.905,1123 16.285,1124 11.47,1125 9.476,1126 18.605,1127 13.568,1128 16.209,1129 0.289,1130 0.197,1131 17.51,1132 11.06,1133 13.298,1134 0.187,1135 0.115,1136 14.389,1137 8.155,1138 10.465,1139 0.119,1140 0.067,1141 11.502,1142 5.859,1143 8.594,1144 0.077,1145 0.038,1146 9.571,1147 4.225,1148 0.251,1149 120.442,1150 0.195,1151 34.267,1152 0.405,1153 192,1154 623.037,1155 246.459,1156 616.379,1157 814.03,1158 566,1159 223,1160 558.218,1161 285.139,1162 594.668,1163 848.58,1164 554,1165 5.523}