@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2214 @attribute molecule_id {CHEMBL306862,CHEMBL47414,CHEMBL47468,CHEMBL514138,CHEMBL68315,CHEMBL68529,CHEMBL70273,CHEMBL70561,CHEMBL70817,CHEMBL70885,CHEMBL71110,CHEMBL71547,CHEMBL73115,CHEMBL73117,CHEMBL73945} @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.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.016 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.034 numeric @attribute C.039 numeric @attribute C.040 numeric @attribute C.043 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_DD numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_PL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr09 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.50 numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute F.084 numeric @attribute GATS1e numeric @attribute GATS1i numeric @attribute GATS1m numeric @attribute GATS1p numeric @attribute GATS1s numeric @attribute GATS1v numeric @attribute GATS2e numeric @attribute GATS2i numeric @attribute GATS2m numeric @attribute GATS2p numeric @attribute GATS2s numeric @attribute GATS2v numeric @attribute GATS3e numeric @attribute GATS3i numeric @attribute GATS3m numeric @attribute GATS3p numeric @attribute GATS3s numeric @attribute GATS3v numeric @attribute GATS4e numeric @attribute GATS4i numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS4s numeric @attribute GATS4v numeric @attribute GATS5e numeric @attribute GATS5i numeric @attribute GATS5m numeric @attribute GATS5p numeric @attribute GATS5s numeric @attribute GATS5v numeric @attribute GATS6e numeric @attribute GATS6i numeric @attribute GATS6m numeric @attribute GATS6p numeric @attribute GATS6s numeric @attribute GATS6v numeric @attribute GATS7e numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute GATS7p numeric @attribute GATS7s numeric @attribute GATS7v numeric @attribute GATS8e numeric @attribute GATS8i numeric @attribute GATS8m numeric @attribute GATS8p numeric @attribute GATS8s numeric @attribute GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute GNar numeric @attribute H. numeric @attribute H.046 numeric @attribute H.047 numeric @attribute H.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 Hypnotic.80 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.50 numeric @attribute Infective.80 numeric @attribute Inflammat.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.066 numeric @attribute N.068 numeric @attribute N.070 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute N.075 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaasC numeric @attribute nAB numeric @attribute nArCO numeric @attribute nArCONHR numeric @attribute nArNHR numeric @attribute nArOR numeric @attribute nArX numeric @attribute nAT numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCp numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCs numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdsCH numeric @attribute NdssC numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nF numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nImidazoles numeric @attribute nN numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nPyridines numeric @attribute nPyrroles numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR09 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nR.Cs numeric @attribute nRNH2 numeric @attribute nRNHO numeric @attribute nROH numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsF numeric @attribute nSK numeric @attribute NsNH2 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 nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.058 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 Psi_i_t numeric @attribute Psychotic.50 numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 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 SaasC numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SddssS numeric @attribute SdO numeric @attribute SdsCH numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsF numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.532,2 12.143,3 3.21,4 10.303,5 107.25,6 7.76,7 0.71,8 3.98,9 4.098,10 3.581,11 3.549,12 5.144,13 3.54,14 4.456,15 4.6,16 3.916,17 3.911,18 5.607,19 3.881,20 4.684,21 4.877,22 3.939,23 3.975,24 5.798,25 3.927,26 4.702,27 4.909,28 3.853,29 3.889,30 5.859,31 3.834,32 4.594,33 4.796,34 3.752,35 3.839,36 5.712,37 3.779,38 4.558,39 4.753,40 3.763,41 3.873,42 5.71,43 3.808,44 4.574,45 4.779,46 3.771,47 3.885,48 5.682,49 3.809,50 4.56,51 4.776,52 3.65,53 3.798,54 5.652,55 3.713,56 0.047,57 0.704,58 9,59 4.012,60 9.9,61 5.008,62 0.159,63 1.091,64 15.763,65 6.763,66 20.341,67 8.58,68 0.237,69 1.313,70 22.186,71 8.369,72 34.187,73 10.883,74 0.451,75 1.268,76 24.13,77 8.373,78 50.628,79 10.837,80 0.294,81 1.122,82 21.533,83 8.025,84 43.764,85 10.167,86 0.273,87 1.12,88 19.967,89 7.648,90 43.916,91 9.89,92 0.217,93 1.136,94 20.301,95 8.268,96 30.968,97 10.992,98 0.256,99 1.108,100 20.664,101 7.755,102 40.359,103 10.322,104 6,105 42,106 0.256,107 0.579,108 0.716,109 0.852,110 0.886,111 0.886,112 3.374,113 0.87,114 -4.07,115 -4.02,116 -3.8,117 45.8,122 2,125 12,126 2,127 2,129 1,130 1,132 1,133 1,134 1,135 1,136 1,138 11,140 5,141 2,142 4,143 11,145 6,146 1,147 1,148 1,149 4,150 1,151 6,153 1,154 8,155 2,156 2,157 4,160 3,162 1,163 3,164 9,165 2,166 1,167 4,170 2,171 14,172 1,174 4,176 1,177 1,178 3,179 1,180 12,181 1,182 4,184 3,185 7,187 2,188 1,189 2,190 4,191 6,192 1,193 1306,194 19.386,195 19.386,196 19.386,197 19.386,198 19.386,199 16.682,200 20.283,201 11.639,202 19.655,203 15.287,204 15.287,205 15.287,206 15.287,207 15.287,208 11.165,209 27.871,210 5.504,211 15.75,212 4.053,213 2.126,214 1.305,215 0.492,216 0.292,217 0.292,218 4.075,219 1,220 1,221 744,222 3.24,223 67.215,224 260.869,225 116.556,226 1.878,227 24.478,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 60,239 340,240 4.492,241 3.614,242 6.457,243 4.013,244 3.042,245 4.435,246 1.151,247 9.975,248 2.964,249 4.337,250 3.069,251 6.271,252 3.94,253 2.969,254 3.942,255 1.058,256 9.576,257 2.871,258 3.896,259 2.975,260 5.42,261 3.509,262 2.524,263 3.442,264 0.522,265 7.162,266 2.49,267 3.763,268 2.638,269 5.334,270 3.365,271 2.406,272 3.197,274 6.945,275 2.298,276 3.413,277 2.507,278 5.082,279 3.018,280 2.051,281 2.675,283 5.972,284 1.975,285 3.219,286 2.131,287 4.89,288 2.807,289 1.83,290 2.462,292 5.321,293 1.779,294 3.012,295 1.811,296 4.412,297 2.54,298 1.562,299 2.259,301 4.293,302 1.522,303 2.975,304 1.524,305 3.898,306 2.484,307 1.519,308 2.157,309 3.347,310 1.464,311 2.861,312 1.516,313 3.625,314 2.402,315 1.414,316 2.016,317 3.056,318 1.392,319 2.546,320 1.316,321 3.571,322 2.043,323 1.034,324 1.508,325 2.563,326 1.037,327 2.5,328 1,329 3.247,330 2,331 1,332 1.5,333 2.136,334 1,335 1.959,336 0.957,337 3.171,338 1.535,339 0.623,340 0.754,341 1.437,342 0.561,343 1.848,344 0.753,345 3.075,346 1.435,347 0.485,348 0.683,349 1.197,350 0.458,351 1.538,352 0.593,353 2.798,354 1.3,355 0.379,356 0.432,357 0.559,358 0.349,359 1.145,360 0.299,361 2.675,362 0.771,363 -0.189,364 -0.234,365 -0.506,366 -0.18,367 13.267,368 0.474,369 0.533,370 0.019,371 40.5,372 1.446,373 22.5,374 0.804,375 18,376 0.643,377 18.505,378 0.661,379 28.733,380 0.599,381 30.039,382 1.073,383 8.345,384 0.298,385 5.38,386 0.192,387 0.055,389 0.302,391 0.894,392 1.101,393 0.774,394 0.915,395 0.774,396 0.829,397 0.9,398 1.177,399 0.886,400 1.076,401 0.714,402 1,403 1.123,404 1.06,405 0.991,406 1.065,407 0.901,408 1.014,409 1.333,410 0.976,411 1.063,412 0.997,413 1.134,414 0.99,415 1.46,416 0.919,417 1.026,418 0.94,419 1.599,420 0.935,421 1.185,422 0.923,423 1.028,424 0.946,425 1.478,426 0.963,427 0.808,428 0.972,429 0.902,430 1.046,431 0.817,432 1.005,433 1.073,434 1.035,435 1.051,436 1.055,437 1.3,438 1.054,439 5,440 0.078,441 2.444,442 1.792,443 1.187,444 0.834,445 0.424,446 0.332,447 0.277,448 0.157,449 10696,450 27757,451 2.137,452 41.7,454 16,456 4,460 1.709,461 2.049,462 3.563,463 1.627,464 1,465 1,467 73.532,468 1.532,469 3.459,470 4.28,471 5.093,472 5.293,473 5.293,474 3.071,475 4.307,476 4.778,477 3.71,478 1402.54,479 8.303,480 18906.5,482 1,483 1,484 268.078,485 1.198,486 4.76,487 0.161,488 0.004,489 0.058,490 0.044,491 0.033,492 0.025,493 0.012,494 0.009,495 0.009,496 0.006,497 0.362,498 0.17,499 1,500 0.615,501 141.989,502 -0.101,503 0.025,504 0.025,505 0.052,506 -0.136,507 0.064,508 0.039,509 -0.116,510 -0.025,511 -0.102,512 -0.011,513 -0.083,514 -0.042,515 -0.038,516 -0.038,517 -0.107,518 0.001,519 -0.076,520 0.051,521 0.007,522 -0.044,523 -0.044,524 0.074,525 -0.052,526 -0.149,527 0.026,528 -0.023,529 0.048,530 -0.122,531 0.031,532 -0.095,533 0.062,534 -0.07,535 0.038,536 -0.11,537 -0.003,538 0.087,539 -0.016,540 0.049,541 -0.039,542 0.091,543 -0.009,544 -0.04,545 -0.073,546 -0.066,547 -0.071,548 -0.094,549 -0.074,550 1.905,551 5.804,552 0.75,553 27.689,554 1.003,555 1.119,556 2.841,557 8.071,558 0.688,559 3.466,560 3.761,561 4.025,562 4.277,563 4.466,564 4.466,565 4.585,566 4.71,567 4.736,568 4.787,569 6.99,570 0.661,571 372.46,572 3.466,573 4.99,574 5.832,575 6.696,576 7.552,577 8.421,578 9.284,579 10.156,580 11.022,581 11.895,582 8.3,583 1,586 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,596 1,598 1,600 48,601 23,602 3,603 31,604 51,605 22,606 19,607 6,608 12,609 1,610 4,611 5,612 1,616 20,617 2,619 1,621 1,623 1,625 1,627 20,628 5,629 4,630 6,632 1,633 4,634 0.75,635 2,639 1,640 3,641 1,645 1,648 3,653 28,654 1,657 2,658 1,659 1,664 4.2,666 1,667 1,668 13.667,669 8.367,670 6.25,671 2.676,672 4.219,673 1.556,674 1.029,675 5.375,676 11.814,677 3.784,678 4.398,679 4.996,680 5.589,681 6.087,682 6.262,683 6.646,684 7.033,685 7.151,686 7.446,687 1,688 41,689 10.32,690 4.377,691 7.744,692 19.57,693 15.852,694 2.244,695 62.833,698 1,699 188.338,700 146.105,701 84.479,702 36.145,705 146.105,706 224.482,707 84.479,709 57.606,710 113.715,711 48.963,712 44.301,713 2.144,714 188.338,715 188.338,716 230.584,717 36.145,719 188.338,720 36.145,722 78.864,723 134.935,724 16.786,726 188.338,727 120.624,728 146.105,730 188.338,731 32.39,732 113.715,733 34.796,734 85.828,735 188.338,736 120.624,737 146.105,738 0.57,739 0.335,740 0.184,741 0.099,742 20,743 8,744 0.118,745 6,746 1,747 1.095,748 4.105,749 237.715,750 0.095,751 21,752 130.606,755 18.231,756 8.255,757 4.246,758 1.636,759 103.838,760 22.55,761 4.396,762 3.13,763 3.416,764 67.693,765 455.067,766 43,768 12.804,770 -0.238,771 48.131,772 53.734,773 0.274,774 0.619,775 0.766,776 0.912,777 0.948,778 0.948,779 4.987,780 1.519,781 5.79,782 4.293,783 4.443,784 5.085,785 1.861,786 6.561,787 4.384,788 6.189,789 1.414,790 7.318,791 3.347,792 3.892,793 4.796,795 7.357,796 3.814,797 7.485,798 1.034,799 8.944,800 3.056,801 5.994,802 7.306,803 1.969,804 10.449,805 5.876,806 8.819,807 1,808 10.63,809 2.563,810 6.293,811 7.879,813 12.099,814 6.149,815 10.186,816 0.623,817 12.355,818 2.136,819 7.82,820 9.821,821 2.14,822 14.677,823 7.646,824 11.575,825 0.485,826 14.107,827 1.437,828 8.528,829 10.825,831 16.687,832 8.324,833 12.984,834 0.379,835 15.879,836 1.197,837 9.808,838 12.512,839 2.333,840 19.083,841 9.579,842 3.042,843 -0.189,844 17.667,845 0.559,846 10.718,847 13.743,849 21.249,850 10.456,851 2.969,852 9.975,853 19.466,854 -0.506,855 11.89,856 15.311,857 2.54,858 23.576,859 11.604,860 2.524,861 9.576,862 21.275,863 4.435,864 12.897,865 16.66,867 25.809,868 12.579,869 2.406,870 7.162,871 23.092,872 3.942,873 14.024,874 18.174,875 2.756,876 28.11,877 13.68,878 2.051,879 6.945,880 24.915,881 3.442,882 15.078,883 19.585,885 30.372,886 14.704,887 1.83,888 5.972,889 26.744,890 3.197,891 16.187,892 21.075,893 2.981,894 32.664,895 15.785,896 1.562,897 5.321,898 28.577,899 2.675,900 17.264,901 22.518,903 34.939,904 16.833,905 10047,906 16325,907 21.266,908 33.023,909 45.882,910 46.941,911 46.627,912 45.596,913 45.678,914 62.928,915 5.461,916 127.075,917 44.321,918 5.359,919 5.614,920 6.258,921 5.078,922 5.042,923 7.435,924 2.302,925 16.721,926 4.964,927 9.774,928 1.48,929 1.514,930 1.504,931 1.471,932 1.473,933 2.03,934 0.176,935 4.099,936 1.43,937 4.113,938 4.156,939 4.078,940 3.99,941 7.429,942 4.006,943 3.952,944 3.974,945 3.898,946 3.871,947 5.126,948 3.873,949 3.867,950 3.894,951 3.8,952 3.808,953 4.915,954 3.803,955 3.55,956 3.615,957 3.471,958 3.36,959 4.857,960 3.38,961 3.291,962 3.357,963 3.195,964 3.067,965 4.71,966 3.091,967 3.227,968 3.271,969 3.097,970 3.037,971 4.343,972 3.043,973 3.048,974 3.124,975 2.906,976 2.808,977 4.29,978 2.818,979 2.903,980 2.967,981 2.789,982 2.769,983 3.889,984 2.764,985 0.145,986 0.117,987 0.208,988 0.129,989 0.098,990 4.492,991 0.143,992 3.614,993 0.037,994 6.457,995 0.322,996 4.013,997 0.096,998 3.042,999 4.435,1000 1.151,1001 9.975,1002 2.964,1003 1.94,1004 1.918,1005 2.043,1006 2.051,1007 1.145,1008 2.045,1009 1.907,1010 1.88,1011 2.01,1012 2.002,1013 1.12,1014 2.009,1015 1.859,1016 1.836,1017 1.964,1018 1.942,1019 1.057,1020 1.952,1021 1.552,1022 1.478,1023 1.739,1024 1.815,1025 0.833,1026 1.798,1027 1.223,1028 1.185,1029 1.452,1030 1.493,1031 0.607,1032 1.456,1033 1.187,1034 1.14,1035 1.36,1036 1.42,1037 0.366,1038 1.429,1039 0.973,1040 0.884,1041 1.219,1042 1.313,1043 0.224,1044 1.291,1045 0.903,1046 0.854,1047 1.181,1048 1.087,1049 0.218,1050 1.107,1051 4.143,1052 5.442,1053 2.398,1054 6.936,1055 4.727,1056 8.515,1057 6.823,1058 10.138,1061 5.618,1063 0.731,1064 2.912,1065 5.878,1069 31.73,1070 73.532,1071 166.039,1072 205.449,1073 244.469,1074 254.078,1075 254.078,1076 42.327,1077 7.595,1078 93.03,1079 93.03,1080 23,1081 12.437,1082 4.585,1083 3.7,1084 42.493,1085 116,1086 120,1087 0.174,1088 195.197,1089 328.66,1090 468.04,1091 23159,1093 19.347,1094 0.691,1095 0.542,1096 19.347,1097 15.183,1098 13.725,1099 0.443,1100 0.29,1101 8.876,1102 13.302,1103 8.705,1104 7.232,1105 13.725,1106 8.986,1107 11.948,1108 0.284,1109 0.151,1110 11.948,1111 6.344,1112 10.172,1113 0.185,1114 0.079,1115 10.172,1116 4.352,1117 8.493,1118 0.12,1119 0.042,1120 8.493,1121 2.947,1122 6.806,1123 0.079,1124 0.023,1125 6.806,1126 1.955,1127 0.277,1128 85.412,1129 0.217,1130 27.044,1131 0.468,1132 146,1133 415.094,1134 158.668,1135 406.418,1136 562.51,1137 382,1138 170,1139 418.837,1140 183.057,1141 425.865,1142 621.84,1143 402,1144 4.319} {0 CHEMBL47414,1 1.583,2 13.343,3 5.181,4 26.84,5 143.475,6 7.653,7 0.486,8 4.267,9 4.37,10 3.996,11 3.89,12 5.338,13 3.806,14 4.801,15 4.956,16 4.267,17 4.277,18 5.963,19 4.159,20 5.086,21 5.275,22 4.412,23 4.449,24 6.174,25 4.302,26 5.256,27 5.473,28 4.493,29 4.479,30 6.329,31 4.338,32 5.246,33 5.422,34 4.566,35 4.513,36 6.541,37 4.389,38 5.352,39 5.561,40 4.465,41 4.524,42 6.566,43 4.383,44 5.303,45 5.534,46 4.345,47 4.472,48 6.381,49 4.309,50 5.275,51 5.521,52 4.241,53 4.381,54 6.349,55 4.219,56 0.148,57 0.931,58 17.43,59 7.179,60 23.507,61 8.688,62 0.379,63 1.522,64 31.206,65 12.476,66 59.166,67 15.057,68 0.384,69 1.969,70 45.363,71 17.116,72 78.212,73 20.249,74 0.674,75 2.235,76 58.975,77 18.767,78 114.963,79 21.723,80 0.898,81 2.194,82 61.121,83 19.436,84 176.48,85 21.2,86 0.914,87 2.315,88 60.094,89 20.324,90 179.68,91 23.878,92 0.521,93 2.279,94 56.559,95 19.53,96 113.518,97 23.544,98 0.676,99 2.15,100 60.197,101 19.386,102 126.487,103 22.673,104 45,105 50,106 0.25,107 0.541,108 0.697,109 0.79,110 0.831,111 0.836,112 3.588,113 1.147,114 -5.31,115 -5.2,116 -4.86,117 40.3,118 2,119 1,120 1,122 3,123 1,125 14,126 3,127 1,132 1,137 1,138 19,139 3,140 2,141 1,143 23,144 1,145 9,147 2,149 1,151 18,154 11,155 1,156 1,157 13,159 2,160 9,161 2,163 2,164 15,167 10,168 2,170 6,171 13,174 11,178 7,180 11,182 13,184 6,185 7,187 11,190 6,191 13,193 2704,194 23.368,195 23.368,196 23.368,197 23.368,198 23.368,199 20.835,200 16.13,201 14.105,202 23.818,203 18.195,204 18.195,205 18.195,206 18.195,207 18.195,208 14.366,209 14.785,210 6.598,211 18.845,212 4.483,213 2.636,214 1.647,215 1.06,216 0.799,217 0.769,218 4.267,221 979,222 5.099,224 438.88,226 2.24,227 44.933,230 0.75,231 0.67,232 0.67,233 0.9,234 0.5,235 0.67,236 0.5,237 0.66,238 75,239 467,240 4.951,241 4.733,242 7.734,243 4.486,244 3.558,245 4.766,246 3.272,247 13.974,248 3.283,249 4.215,250 4.251,251 6.328,252 3.855,253 2.86,254 3.836,255 2.105,256 9.291,257 2.849,258 3.958,259 3.94,260 6.133,261 3.713,262 2.735,263 3.444,264 0.713,265 8.998,266 2.656,267 3.896,268 3.231,269 5.371,270 3.503,271 2.52,272 3.163,273 0.329,274 6.965,275 2.478,276 3.543,277 2.842,278 5.339,279 3.212,280 2.222,281 2.997,283 6.136,284 2.192,285 3.259,286 2.795,287 4.703,288 3.009,289 2.009,290 2.397,292 5.129,293 2.009,294 3.078,295 2.629,296 4.474,297 2.696,298 1.724,299 2.197,301 4.366,302 1.675,303 2.959,304 2.124,305 4.271,306 2.589,307 1.657,308 2.118,309 3.789,310 1.534,311 2.79,312 2.04,313 3.82,314 2.464,315 1.471,316 1.786,317 3.309,318 1.455,319 2.586,320 1.942,321 3.637,322 2.195,323 1.268,324 1.617,325 2.874,326 1.158,327 2.5,328 1.593,329 3.494,330 2.039,331 1.063,332 1.5,333 2.606,334 1.023,335 2.5,336 1.392,337 3.414,338 2,339 1,340 1.5,341 2.275,342 1,343 2.5,344 1.185,345 3.318,346 2,347 1,348 1.5,349 2.136,350 1,351 2.425,352 1,353 3.247,354 2,355 1,356 1.391,357 2.136,358 1,359 1.817,360 1,361 3.247,362 1.62,363 0.707,364 0.761,365 1.724,366 0.634,367 17.3,368 0.494,369 0.848,370 0.024,371 42.75,372 1.221,373 22.5,374 0.643,375 20.25,376 0.579,377 36.299,378 1.037,379 38.5,380 0.575,381 36.065,382 1.03,383 7.794,384 0.223,385 9.03,386 0.258,387 0.135,388 0.048,389 0.225,391 0.526,392 1.146,393 0.84,394 1.083,395 0.666,396 0.976,397 0.581,398 1.093,399 1.062,400 1.091,401 0.567,402 1.04,403 0.738,404 1.164,405 1.158,406 1.197,407 0.734,408 1.086,409 1.373,410 0.955,411 1.189,412 1.028,413 1.409,414 0.889,415 1.427,416 1.099,417 1.318,418 1.215,419 1.53,420 1.055,421 1.413,422 1.043,423 1.077,424 1.034,425 1.517,426 1.037,427 1.244,428 1.059,429 1.087,430 1.03,431 1.18,432 1.028,433 1.458,434 0.915,435 1.17,436 0.964,437 1.345,438 0.875,439 7,440 0.293,441 4.444,442 2.625,443 2.044,444 1.528,445 0.933,446 0.658,447 0.518,448 0.446,449 17175,450 46189,451 1.987,452 47.8,453 6,454 21,456 2,458 1,459 2,460 1.772,461 1.85,462 3.618,463 0.162,467 106.046,468 1.583,469 3.43,470 4.419,471 5.006,472 5.267,473 5.297,474 3.132,475 4.558,476 5.093,477 3.845,478 2287.51,479 8.976,480 36012.1,484 406.428,485 1.531,486 5.047,487 0.189,488 0.007,489 0.089,490 0.049,491 0.037,492 0.026,493 0.018,494 0.014,495 0.012,496 0.01,497 0.449,498 0.17,499 0.75,500 1.055,501 189.337,502 0.142,503 0.014,504 0.163,505 0.026,506 -0.088,507 0.044,508 0.212,509 0.023,510 -0.023,511 -0.012,512 0.151,513 -0.038,514 0.115,515 -0.093,516 -0.027,517 -0.088,518 0.091,519 -0.075,520 -0.1,521 0.095,522 0.02,523 0.061,524 -0.118,525 0.082,526 0.04,527 -0.042,528 -0.081,529 -0.088,530 0.046,531 -0.086,532 -0.032,533 -0.074,534 -0.047,535 -0.048,536 -0.046,537 -0.08,538 -0.12,539 -0.063,540 -0.051,541 -0.042,542 -0.064,543 -0.06,544 -0.162,545 0.056,546 -0.035,547 0.066,548 -0.096,549 0.096,550 4.903,551 6.689,552 0.514,553 44.408,554 0.999,555 1.118,556 4.085,557 16.687,558 0.68,559 3.638,560 3.932,561 4.159,562 4.357,563 4.554,564 4.5,565 4.564,566 4.585,567 4.71,568 4.779,569 7.75,570 0.63,571 512.75,572 3.638,573 5.165,574 5.994,575 6.86,576 7.716,577 8.59,578 9.458,579 10.338,580 11.214,581 12.098,582 3,584 1,586 1,590 14,593 4,594 18,600 67,601 21,602 3,603 37,604 69,605 27,606 18,607 4,608 14,610 3,611 3,612 2,615 2,616 19,617 8,618 1,619 3,620 1,621 3,623 1,627 32,628 6,629 2,630 8,631 2,633 2,634 1,635 4,640 3,646 1,647 1,648 3,649 1,650 2,651 2,653 35,655 1,656 1,657 4,658 1,660 1,661 2,662 1,664 6,665 1,666 3,668 18.917,669 12.067,670 7.917,671 3.917,672 2.693,673 1.368,674 0.941,675 10.083,676 10.002,677 3.912,678 4.46,679 4.933,680 5.394,681 5.888,682 5.954,683 6.366,684 6.566,685 6.886,686 7.177,687 1,688 54,689 13.383,690 5.966,691 7.879,692 24.849,693 20.364,694 2.379,695 83.25,699 353.133,700 210.597,701 15.991,702 112.264,704 38.027,705 172.57,706 465.397,707 15.991,708 17.65,709 20.912,710 181.281,711 74.163,712 12.626,714 385.353,715 353.133,716 188.561,717 112.264,718 38.027,719 317.82,720 104.771,721 42.806,722 40.081,723 148.48,724 5.807,725 32.22,726 353.133,727 128.255,728 210.597,729 5.807,730 353.133,731 54.471,732 151.836,733 14.473,734 112.264,735 353.133,736 128.255,737 210.597,738 0.571,739 0.329,740 0.174,741 0.101,742 20,743 10,744 0.174,745 12,747 1,748 4.429,749 317.035,751 18,752 163.525,753 1,754 1,755 27.125,756 13.011,757 7.506,759 128.255,760 26.344,763 3.168,764 57.278,765 691.984,766 49,767 -3.987,768 40.018,770 -0.726,771 66.92,772 74.902,773 0.261,774 0.565,775 0.729,776 0.825,777 0.868,778 0.873,779 5.133,780 1.657,781 5.989,782 4.366,783 4.615,784 5.147,785 3.452,786 6.823,787 4.549,788 6.335,789 1.471,790 7.572,791 3.789,792 4.29,793 5.056,794 1.593,795 8.061,796 4.167,797 7.655,798 1.268,799 9.284,800 3.309,801 6.256,802 7.361,803 5.556,804 11.158,805 6.101,806 9.023,807 1.063,808 11.083,809 2.874,810 6.815,811 8.163,812 3.395,813 13.32,814 6.567,815 10.438,816 1,817 12.943,818 2.606,819 8.281,820 9.982,821 7.849,822 16.057,823 7.997,824 11.887,825 1,826 14.846,827 2.275,828 9.234,829 11.188,830 5.043,831 18.532,832 8.839,833 13.364,834 1,835 16.781,836 2.136,837 10.534,838 12.833,839 10.194,840 21.189,841 10.085,842 3.558,843 0.707,844 18.74,845 2.136,846 11.66,847 14.226,848 6.611,849 23.769,850 11.1,851 2.86,852 13.974,853 20.718,854 1.724,855 12.914,856 15.808,857 12.555,858 26.409,859 12.282,860 2.735,861 9.291,862 22.711,863 4.766,864 14.115,865 17.288,866 8.14,867 29.025,868 13.378,869 2.52,870 8.998,871 24.714,872 3.836,873 15.363,874 18.85,875 14.922,876 31.662,877 14.542,878 2.222,879 6.965,880 26.726,881 3.444,882 16.597,883 20.371,884 9.651,885 34.291,886 15.677,887 2.009,888 6.136,889 28.745,890 3.163,891 17.849,892 21.927,893 17.291,894 36.927,895 16.84,896 1.724,897 5.129,898 30.77,899 2.997,900 19.099,901 23.468,902 11.152,903 39.561,904 17.995,905 16817,906 27784,907 24.038,908 45.546,909 54.535,910 61.581,911 56.261,912 54.226,913 54.217,914 70.624,915 12.839,916 152.458,917 52.495,918 5.901,919 6.733,920 7.536,921 5.582,922 5.558,923 7.766,924 6.545,925 22.351,926 5.283,927 18.85,928 1.474,929 1.664,930 1.521,931 1.466,932 1.465,933 1.909,934 0.347,935 4.12,936 1.419,937 4.117,938 4.108,939 4.743,940 4.098,941 7.715,942 4.028,943 3.909,944 3.938,945 3.962,946 3.866,947 7.431,948 3.846,949 3.902,950 3.921,951 3.894,952 3.852,953 6.999,954 3.813,955 3.734,956 3.773,957 3.706,958 3.629,959 6.493,960 3.619,961 3.617,962 3.677,963 3.594,964 3.501,965 4.828,966 3.465,967 3.497,968 3.486,969 3.523,970 3.429,971 4.748,972 3.353,973 3.347,974 3.385,975 3.437,976 3.212,977 4.572,978 3.165,979 3.101,980 3.167,981 2.977,982 2.889,983 4.263,984 2.897,985 0.134,986 0.128,987 0.209,988 0.121,989 0.096,990 4.951,991 0.129,992 4.733,993 0.088,994 7.734,995 0.378,996 4.486,997 0.089,998 3.558,999 4.766,1000 3.272,1001 13.974,1002 3.283,1003 2.02,1004 2.017,1005 2.083,1006 2.082,1007 1.345,1008 2.112,1009 1.908,1010 1.881,1011 2.028,1012 1.987,1013 1.21,1014 2.009,1015 1.855,1016 1.843,1017 1.986,1018 1.973,1019 1.196,1020 1.993,1021 1.725,1022 1.678,1023 1.879,1024 1.843,1025 1.118,1026 1.875,1027 1.619,1028 1.564,1029 1.831,1030 1.798,1031 1.004,1032 1.817,1033 1.375,1034 1.388,1035 1.45,1036 1.519,1037 0.746,1038 1.569,1039 1.24,1040 1.221,1041 1.417,1042 1.507,1043 0.619,1044 1.486,1045 1.061,1046 0.998,1047 1.362,1048 1.296,1049 0.469,1050 1.336,1051 4.317,1052 5.617,1054 7.117,1056 8.709,1058 10.353,1059 3.804,1062 9.394,1063 1.748,1064 1.677,1066 1.622,1067 -1.038,1068 1.226,1069 42.178,1070 106.046,1071 229.822,1072 296.105,1073 335.408,1074 352.918,1075 354.918,1076 113.695,1077 7.309,1078 86.71,1079 120.39,1080 18,1081 12.633,1082 4.459,1083 3.7,1084 70.196,1085 152,1086 187,1087 0.21,1088 270.145,1089 473.66,1090 650.914,1091 14397,1093 25.261,1094 0.722,1095 0.618,1096 25.864,1097 21.635,1098 16.824,1099 0.455,1100 0.382,1101 11.686,1102 15.134,1103 11.084,1104 9.291,1105 18.112,1106 14.15,1107 14.905,1108 0.298,1109 0.233,1110 16.703,1111 11.673,1112 11.838,1113 0.188,1114 0.134,1115 13.685,1116 8.472,1117 9.255,1118 0.12,1119 0.085,1120 11.082,1121 6.522,1122 7.585,1123 0.081,1124 0.053,1125 9.453,1126 4.992,1127 0.33,1128 117.186,1129 0.204,1130 32.358,1131 0.576,1132 174,1133 503.055,1134 244.926,1135 530.507,1136 703.16,1137 488,1138 200,1139 458.173,1140 276.835,1141 513.18,1142 741.25,1143 479,1144 8.602} {0 CHEMBL47468,1 1.642,2 13.25,3 4.923,4 24.236,5 172.907,6 8.023,7 0.511,8 4.449,9 4.546,10 4.189,11 4.052,12 5.584,13 3.996,14 4.966,15 5.104,16 4.468,17 4.428,18 6.184,19 4.342,20 5.238,21 5.409,22 4.613,23 4.599,24 6.386,25 4.487,26 5.395,27 5.583,28 4.706,29 4.639,30 6.537,31 4.54,32 5.465,33 5.65,34 4.826,35 4.683,36 6.856,37 4.602,38 5.511,39 5.696,40 4.801,41 4.719,42 6.858,43 4.625,44 5.513,45 5.711,46 4.76,47 4.716,48 6.73,49 4.619,50 5.526,51 5.722,52 4.776,53 4.742,54 6.721,55 4.651,56 0.177,57 1.103,58 18.28,59 8.036,60 27.122,61 9.294,62 0.535,63 1.779,64 33.428,65 13.702,66 69.256,67 15.873,68 0.647,69 2.284,70 48.97,71 18.745,72 103.299,73 21.507,74 0.859,75 2.6,76 61.826,77 20.292,78 139.826,79 23.119,80 1.407,81 2.722,82 67.265,83 21.485,84 254.984,85 24.268,86 1.476,87 2.793,88 66.885,89 22.886,90 235.207,91 26.332,92 1.015,93 2.858,94 66.494,95 22.469,96 177.691,97 26.033,98 1.028,99 2.851,100 68.431,101 23.113,102 172.115,103 25.8,104 42,105 63,106 0.248,107 0.528,108 0.671,109 0.763,110 0.8,111 0.816,112 3.81,113 1.055,114 -4.62,115 -4.54,116 -4.27,117 41.8,119 1,121 1,122 3,123 2,125 19,126 3,127 2,132 2,137 1,138 20,139 3,140 3,141 2,142 2,143 23,144 2,145 9,147 3,149 5,151 17,154 11,155 1,156 5,157 11,159 4,160 8,161 4,163 4,164 15,166 4,167 15,168 4,169 1,170 5,171 12,174 18,176 1,177 1,178 8,180 9,182 19,184 7,185 11,186 2,187 20,189 2,190 11,191 20,193 5072,194 29.876,195 29.876,196 29.876,197 29.876,198 29.876,199 26.424,200 27.83,201 18.073,202 30.527,203 23.083,204 23.083,205 23.083,206 23.083,207 23.083,208 17.872,209 28.302,210 8.425,211 23.951,212 4.661,213 2.814,214 1.867,215 1.254,216 1.01,217 0.905,218 4.5,221 1232,222 5.612,224 755.735,226 2.08,227 65.079,230 0.75,231 0.5,232 0.67,233 0.7,234 0.5,235 0.5,236 0.5,237 0.59,238 95.5,239 583,240 4.951,241 4.734,242 7.734,243 4.486,244 3.558,245 4.766,246 3.272,247 13.975,248 3.284,249 4.26,250 4.251,251 6.513,252 4.009,253 3.024,254 3.734,255 2.106,256 10.245,257 2.978,258 3.999,259 3.942,260 6.326,261 3.747,262 2.774,263 3.459,264 1.96,265 9.264,266 2.682,267 3.896,268 3.657,269 5.451,270 3.503,271 2.521,272 3.444,273 1.161,274 6.966,275 2.478,276 3.852,277 3.312,278 5.34,279 3.432,280 2.474,281 3.298,282 0.86,283 6.944,284 2.37,285 3.736,286 3.211,287 5.247,288 3.28,289 2.278,290 3.113,291 0.715,292 6.4,293 2.278,294 3.613,295 2.818,296 5.246,297 3.278,298 2.274,299 2.813,300 0.377,301 6.352,302 2.265,303 3.171,304 2.794,305 4.962,306 2.782,307 1.815,308 2.38,309 5.313,310 1.738,311 3.083,312 2.514,313 4.362,314 2.652,315 1.684,316 2.293,317 3.934,318 1.645,319 2.96,320 2.361,321 4.095,322 2.592,323 1.649,324 2.118,325 3.68,326 1.529,327 2.817,328 2.098,329 3.846,330 2.457,331 1.468,332 1.908,333 3.328,334 1.445,335 2.781,336 1.791,337 3.647,338 2.317,339 1.317,340 1.807,341 2.905,342 1.317,343 2.5,344 1.7,345 3.555,346 2.16,347 1.249,348 1.5,349 2.88,350 1.112,351 2.5,352 1.4,353 3.414,354 2,355 1,356 1.5,357 2.275,358 1,359 2.5,360 1.38,361 3.372,362 2,363 1,364 1.5,365 2.136,366 1,367 21.367,368 0.486,369 0.93,370 0.021,371 57,372 1.295,373 30.5,374 0.693,375 26.5,376 0.602,377 44.245,378 1.006,379 47.633,380 0.603,381 55.984,382 1.272,383 11.254,384 0.256,385 10.074,386 0.229,387 0.101,388 0.039,389 0.229,391 0.611,392 1.152,393 0.803,394 1.065,395 0.644,396 0.932,397 0.733,398 1.116,399 1.077,400 1.094,401 0.614,402 1.042,403 0.845,404 1.127,405 1.176,406 1.176,407 0.862,408 1.076,409 1.251,410 1.147,411 1.188,412 1.147,413 1.384,414 1.013,415 1.11,416 1.033,417 1.01,418 1.012,419 1.282,420 0.931,421 1.061,422 1.054,423 1.05,424 1.06,425 1.266,426 0.998,427 1.244,428 1.086,429 1.081,430 1.034,431 1.352,432 0.976,433 1.498,434 0.933,435 1.124,436 0.924,437 1.477,438 0.867,439 8,440 0.367,441 5.111,442 3.188,443 2.676,444 1.757,445 1.098,446 1.115,447 0.991,448 0.683,449 30503,450 87745,451 2.027,452 44.3,454 30,456 3,459 2,460 1.833,461 1.906,462 3.628,463 0.718,467 129.744,468 1.642,469 3.49,470 4.437,471 5.05,472 5.294,473 5.399,474 3.068,475 4.397,476 5.427,477 3.872,478 3663.23,479 9.678,480 67554.3,484 497.999,485 1.434,486 5.389,487 0.17,488 0.004,489 0.081,490 0.046,491 0.038,492 0.022,493 0.014,494 0.014,495 0.012,496 0.008,497 0.41,498 0.17,499 0.63,500 0.843,501 252.421,502 0.072,503 -0.006,504 0.14,505 0.013,506 -0.08,507 0.04,508 0.119,509 -0.004,510 -0.069,511 -0.034,512 0.096,513 -0.076,514 0.054,515 -0.054,516 -0.065,517 -0.078,518 0.028,519 -0.085,520 -0.114,521 -0.089,522 -0.036,523 -0.074,524 -0.152,525 -0.044,526 0.154,527 0.012,528 0.08,529 0.004,530 0.166,531 0.014,532 0.18,533 -0.043,534 0.021,535 -0.043,536 0.108,537 -0.039,538 -0.079,539 -0.056,540 -0.013,541 -0.027,542 -0.058,543 -0.017,544 -0.218,545 0.088,546 -0.025,547 0.099,548 -0.139,549 0.089,550 5.311,551 7.046,552 0.545,553 56.669,554 1.007,555 1.117,556 3.388,557 11.482,558 0.686,559 3.871,560 4.159,561 4.407,562 4.615,563 4.828,564 4.796,565 4.875,566 4.942,567 5.05,568 5.05,569 8.299,570 0.648,571 633.85,572 3.871,573 5.398,574 6.232,575 7.096,576 7.954,577 8.827,578 9.696,579 10.575,580 11.45,581 12.333,582 3.8,584 1,586 2,590 19,593 5,594 24,598 1,600 79,601 28,602 4,603 47,604 82,605 33,606 24,607 5,608 19,610 4,611 4,615 3,616 26,617 7,619 4,620 1,621 4,623 2,627 35,628 9,629 3,630 11,631 2,633 3,634 1,635 6,640 4,642 1,646 1,647 1,648 4,649 1,650 2,651 1,653 44,655 1,656 1,657 4,658 2,659 1,660 1,661 2,662 1,664 7.6,665 1,666 4,667 1,668 23.083,669 13.817,670 10.028,671 4.319,672 2.061,673 1.27,674 0.952,675 12.415,676 9.693,677 4.159,678 4.7,679 5.168,680 5.623,681 6.119,682 6.09,683 6.333,684 6.452,685 6.72,686 6.831,687 0.889,688 69,689 16.922,690 7.698,691 7.945,692 30.772,693 25.025,694 2.445,695 107.583,699 376.675,700 261.159,701 34.002,702 148.408,704 38.027,705 223.132,706 525.084,707 34.002,708 10.883,709 38.923,710 228.662,711 104.012,712 28.869,714 408.895,715 376.675,716 257.134,717 148.408,718 38.027,719 353.133,720 129.145,721 42.806,722 40.442,723 216.692,724 5.807,725 32.22,726 376.675,727 182.41,728 261.159,729 5.807,730 376.675,731 64.419,732 192.45,733 32.483,734 148.408,735 376.675,736 182.41,737 261.159,738 0.567,739 0.335,740 0.179,741 0.101,742 25,743 12,744 0.183,745 15,747 1,748 5.033,749 450.718,751 24,752 210.215,753 1,754 1,755 33.248,756 16.43,757 9.182,759 182.41,760 34.049,763 3.012,764 75.289,765 820.244,766 63,767 -4.394,768 54.789,770 -1.551,771 79.56,772 88.235,773 0.261,774 0.554,775 0.704,776 0.801,777 0.84,778 0.856,779 5.375,780 1.815,781 6.213,782 6.352,783 4.844,784 5.389,785 3.729,786 7.034,787 4.776,788 6.568,789 1.684,790 7.784,791 5.313,792 4.443,793 5.207,794 2.297,795 8.204,796 4.32,797 7.878,798 1.649,799 9.48,800 3.934,801 6.466,802 7.565,803 5.641,804 11.309,805 6.313,806 9.232,807 1.468,808 11.261,809 3.68,810 6.967,811 8.27,812 3.98,813 13.421,814 6.725,815 10.63,816 1.317,817 13.102,818 3.328,819 8.455,820 10.119,821 7.876,822 16.15,823 8.182,824 12.061,825 1.249,826 14.987,827 2.905,828 9.368,829 11.249,830 5.538,831 18.598,832 8.99,833 13.519,834 1,835 16.905,836 2.88,837 10.671,838 12.907,839 10.203,840 21.245,841 10.245,842 3.558,843 1,844 18.849,845 2.275,846 11.772,847 14.255,848 7.042,849 23.81,850 11.24,851 3.024,852 13.975,853 20.814,854 2.136,855 13.02,856 15.841,857 12.558,858 26.442,859 12.423,860 2.774,861 10.245,862 22.794,863 4.766,864 14.205,865 17.298,866 8.521,867 29.05,868 13.506,869 2.521,870 9.264,871 24.786,872 3.734,873 15.445,874 18.861,875 14.923,876 31.681,877 14.668,878 2.474,879 6.966,880 26.789,881 3.459,882 16.668,883 20.371,884 9.988,885 34.306,886 15.794,887 2.278,888 6.944,889 28.8,890 3.444,891 17.913,892 21.928,893 17.292,894 36.939,895 16.954,896 2.274,897 6.4,898 30.817,899 3.298,900 19.154,901 23.464,902 11.45,903 39.57,904 18.102,905 29454,906 50225,907 31.087,908 54.222,909 68.957,910 76.166,911 71.18,912 68.6,913 68.65,914 90.292,915 20.903,916 191.524,917 66.352,918 5.92,919 6.734,920 7.536,921 5.582,922 5.558,923 7.766,924 6.545,925 22.352,926 5.284,927 21.832,928 1.467,929 1.621,930 1.514,931 1.46,932 1.461,933 1.921,934 0.445,935 4.075,936 1.412,937 4.107,938 4.097,939 4.743,940 4.08,941 7.715,942 4,943 3.985,944 4.005,945 3.97,946 3.933,947 7.432,948 3.919,949 3.903,950 3.932,951 3.921,952 3.862,953 7.427,954 3.842,955 3.808,956 3.841,957 3.739,958 3.753,959 6.999,960 3.743,961 3.774,962 3.807,963 3.729,964 3.646,965 6.493,966 3.637,967 3.579,968 3.597,969 3.69,970 3.485,971 4.856,972 3.416,973 3.492,974 3.495,975 3.536,976 3.293,977 4.806,978 3.296,979 3.348,980 3.387,981 3.432,982 3.206,983 4.746,984 3.166,985 0.105,986 0.101,987 0.165,988 0.095,989 0.076,990 4.951,991 0.101,992 4.734,993 0.07,994 7.734,995 0.297,996 4.486,997 0.07,998 3.558,999 4.766,1000 3.272,1001 13.975,1002 3.284,1003 1.979,1004 1.977,1005 2.087,1006 2.07,1007 1.304,1008 2.089,1009 1.96,1010 1.947,1011 2.028,1012 2.038,1013 1.238,1014 2.06,1015 1.907,1016 1.88,1017 1.975,1018 1.98,1019 1.169,1020 2.003,1021 1.824,1022 1.794,1023 1.961,1024 1.905,1025 1.106,1026 1.926,1027 1.719,1028 1.684,1029 1.868,1030 1.896,1031 1.01,1032 1.893,1033 1.485,1034 1.464,1035 1.64,1036 1.7,1037 0.876,1038 1.698,1039 1.344,1040 1.339,1041 1.567,1042 1.569,1043 0.678,1044 1.583,1045 1.252,1046 1.225,1047 1.436,1048 1.518,1049 0.61,1050 1.51,1051 4.554,1052 5.849,1054 7.348,1056 8.936,1058 10.574,1059 1.463,1062 9.625,1063 0.426,1064 4.564,1065 5.167,1066 1.515,1067 -1.935,1068 0.853,1069 51.156,1070 129.744,1071 275.717,1072 350.494,1073 398.94,1074 418.224,1075 426.489,1076 148.989,1077 7.632,1078 125.04,1079 158.72,1080 24,1081 12.869,1082 4.858,1083 4.087,1084 84.231,1085 202,1086 268,1087 0.183,1088 323.383,1089 572.22,1090 780.814,1091 19837,1093 31.365,1094 0.713,1095 0.587,1096 31.969,1097 25.838,1098 21.328,1099 0.454,1100 0.352,1101 13.996,1102 19.35,1103 13.433,1104 11.161,1105 22.617,1106 16.534,1107 18.428,1108 0.293,1109 0.204,1110 20.226,1111 12.862,1112 15.29,1113 0.189,1114 0.122,1115 17.137,1116 9.875,1117 12.01,1118 0.12,1119 0.072,1120 13.82,1121 7.22,1122 9.866,1123 0.08,1124 0.043,1125 11.725,1126 5.291,1127 0.284,1128 146.313,1129 0.179,1130 38.381,1131 0.514,1132 220,1133 692.859,1134 298.073,1135 705.485,1136 932.65,1137 652,1138 254,1139 614.326,1140 337.402,1141 669.387,1142 965.96,1143 625,1144 9.301} {0 CHEMBL514138,1 1.735,2 9.222,3 1.819,4 3.309,5 100.562,6 7.87,7 0.429,8 4,9 4.1,10 3.744,11 3.507,12 5.162,13 3.471,14 4.528,15 4.689,16 4.021,17 3.871,18 5.809,19 3.818,20 4.769,21 4.928,22 4.192,23 4.081,24 6.002,25 3.995,26 5.01,27 5.211,28 4.302,29 4.152,30 6.224,31 4.076,32 5.033,33 5.193,34 4.341,35 4.204,36 6.484,37 4.148,38 5.149,39 5.353,40 4.231,41 4.217,42 6.562,43 4.146,44 4.971,45 5.17,46 4.03,47 4.134,48 6.224,49 4.046,50 4.982,51 5.245,52 3.629,53 3.904,54 6.095,55 3.78,56 0.184,57 0.731,58 12.975,59 4.89,60 23.334,61 5.845,62 0.538,63 1.108,64 21.121,65 7.739,66 65.235,67 9.553,68 0.529,69 1.403,70 31.462,71 11.123,72 79.339,73 12.937,74 0.919,75 1.602,76 42.266,77 11.984,78 123.396,79 14.406,80 1.083,81 1.641,82 45.685,83 12.876,84 179.198,85 14.762,86 1.496,87 1.66,88 44.673,89 13.567,90 232.171,91 17.203,92 0.606,93 1.558,94 34.949,95 12.032,96 81.656,97 15.776,98 0.948,99 1.354,100 36.879,101 10.272,102 124.02,103 14.679,104 61,105 39,106 0.294,107 0.638,108 0.794,109 0.839,110 0.839,111 0.839,112 3.341,113 1.043,114 -1.96,115 -2.01,116 -2.01,117 36,118 2,120 1,121 1,122 1,123 1,125 6,126 1,127 2,128 2,132 1,137 1,138 6,139 3,140 6,141 1,143 4,144 1,145 13,147 2,149 1,151 2,153 1,154 13,155 1,156 3,157 1,159 2,160 7,161 2,163 3,164 7,166 5,167 6,168 2,170 4,171 13,173 1,174 7,176 1,178 6,180 10,182 4,183 1,184 3,185 2,186 1,187 3,189 1,193 1262,194 17.687,195 17.687,196 17.687,197 17.687,198 17.687,199 15.842,200 17.553,201 10.334,202 18.166,203 13.631,204 13.631,205 13.631,206 13.631,207 13.631,208 10.733,209 18.455,210 4.674,211 14.256,212 3.909,213 1.872,214 0.955,215 0.685,216 0.685,217 0.685,218 3.996,220 1,221 502,222 4.743,224 212.396,226 1.342,227 47.115,230 1,231 1,232 1,233 1,234 1,235 1,236 1,237 1,238 60.5,239 249,240 4.954,241 4.734,242 7.745,243 4.499,244 3.569,245 4.766,246 2.105,247 14.046,248 3.306,249 4.074,250 3.954,251 6.548,252 3.854,253 2.881,254 3.487,255 0.86,256 9.953,257 2.785,258 3.879,259 3.266,260 5.537,261 3.498,262 2.517,263 3.421,264 0.759,265 7.186,266 2.471,267 3.867,268 2.856,269 5.335,270 3.42,271 2.463,272 3.165,273 0.558,274 6.89,275 2.351,276 3.193,277 2.792,278 5.144,279 2.876,280 1.875,281 2.393,283 5.497,284 1.868,285 3.04,286 2.48,287 4.656,288 2.754,289 1.792,290 2.115,292 4.506,293 1.707,294 2.923,295 1.969,296 4.21,297 2.45,298 1.487,299 2.039,301 3.544,302 1.429,303 2.5,304 1.603,305 3.59,306 2.097,307 1.141,308 1.5,309 2.85,310 1.086,311 2.5,312 1.385,313 3.414,314 2,315 1,316 1.5,317 2.275,318 1,319 2.423,320 1.025,321 3.247,322 1.956,323 1,324 1.37,325 2.136,326 0.953,327 1.652,328 1,329 3.168,330 1.405,331 0.49,332 0.548,333 0.768,334 0.428,335 1.508,336 1,337 2.94,338 1.343,339 0.405,340 0.429,341 0.702,342 0.39,343 1.279,344 0.676,345 2.684,346 0.976,347 -0.051,348 -0.062,349 -0.099,350 -0.052,351 1,352 0.234,353 2.434,354 0.446,355 -0.524,356 -0.637,357 -1.052,358 -0.479,359 0.807,360 -0.054,361 2.325,362 0.366,363 -0.578,364 -0.745,365 -1.369,366 -0.56,367 12.7,368 0.47,369 0.78,370 0.029,371 33.75,372 1.25,373 17,374 0.63,375 16.75,376 0.62,377 23.886,378 0.885,379 31.1,380 0.622,381 29.672,382 1.099,383 6.757,384 0.25,385 6.049,386 0.224,387 0.223,388 0.066,389 0.268,391 0.623,392 1.439,393 0.844,394 1.334,395 0.691,396 1.054,397 0.787,398 1.016,399 0.82,400 0.871,401 0.623,402 0.877,403 0.818,404 1.343,405 1.247,406 1.386,407 0.801,408 1.154,409 1.276,410 0.958,411 1.141,412 1,413 1.404,414 0.889,415 1.274,416 1.159,417 1.465,418 1.381,419 1.489,420 1.105,421 1.167,422 0.813,423 0.925,424 0.777,425 1.43,426 0.876,427 0.857,428 1.273,429 1.039,430 1.243,431 0.912,432 1.235,433 1.149,434 0.831,435 0.894,436 0.763,437 1.055,438 0.994,439 6.5,440 0.041,441 3.778,442 2.688,443 2.213,444 1.59,445 0.857,446 0.399,447 0.368,448 0.174,449 6792,450 22805,451 1.905,452 46,453 6,454 12,455 2,456 2,458 1,460 1.713,461 1.733,462 3.085,463 0.341,464 1,465 1,467 86.728,468 1.735,469 3.772,470 4.688,471 4.959,472 4.959,473 4.959,474 2.634,475 4.208,476 4.722,477 3.268,478 1146.94,479 8.265,480 14365.2,482 1,483 1,484 282.193,485 1.706,486 4.642,487 0.232,488 0.004,489 0.097,490 0.061,491 0.048,492 0.032,493 0.018,494 0.01,495 0.015,496 0.012,497 0.528,498 0.33,499 1,500 1.385,501 130.547,502 0.083,503 -0.149,504 0.196,505 -0.079,506 -0.103,507 -0.002,508 0.098,509 0.13,510 0.12,511 0.171,512 0.129,513 0.107,514 0.034,515 -0.192,516 -0.059,517 -0.148,518 0.059,519 -0.118,520 -0.172,521 0.09,522 0.026,523 0.081,524 -0.163,525 0.074,526 -0.073,527 -0.066,528 -0.205,529 -0.187,530 0.001,531 -0.128,532 0.044,533 0.094,534 -0.002,535 0.134,536 -0.007,537 0.075,538 -0.046,539 -0.255,540 -0.174,541 -0.278,542 -0.03,543 -0.237,544 -0.165,545 0.039,546 -0.099,547 0.003,548 -0.149,549 -0.059,550 4.962,551 6.306,552 0.444,553 22.214,554 1.017,555 1.132,556 0.73,557 0.533,558 0.651,559 3.367,560 3.689,561 3.932,562 4.127,563 4.317,564 4.29,565 4.29,566 4.205,567 4.263,568 4.078,569 5.533,570 0.622,571 393.51,572 3.367,573 4.905,574 5.746,575 6.629,576 7.501,577 8.393,578 9.277,579 10.175,580 11.066,581 11.967,582 6,584 1,586 1,588 1,590 8,591 1,593 3,594 12,598 1,600 50,601 15,602 1,603 28,604 51,605 18,606 11,607 2,608 4,610 2,611 2,612 2,615 1,616 12,617 6,618 1,619 3,620 1,621 3,623 1,625 1,627 23,628 8,629 2,630 9,631 1,633 3,634 1,635 5,637 1,640 2,646 1,647 1,648 2,650 1,651 3,653 27,655 1,656 1,657 1,658 1,659 1,661 2,662 1,664 10,665 1,666 3,667 1,668 15.583,669 9.517,670 6.167,671 2.724,672 1.796,673 1.275,674 0.905,675 7.191,676 8.336,677 3.638,678 4.205,679 4.654,680 5.078,681 5.555,682 5.617,683 5.831,684 5.811,685 6.139,686 6.199,687 1,688 44,689 10.371,690 4.714,691 8.157,692 18.463,693 14.741,694 2.657,695 71.75,699 247.193,700 126.083,701 32.777,702 123.263,704 5.807,705 120.276,706 370.457,707 32.777,708 28.533,709 16.578,710 105.471,711 114.49,712 40.593,714 223.651,715 247.193,716 153.053,717 123.263,718 5.807,719 235.422,720 92.229,721 42.806,722 53.842,723 82.425,724 22.593,726 247.193,727 156.04,728 126.083,729 5.807,730 247.193,731 16.79,732 105.004,733 14.473,734 140.049,735 247.193,736 156.04,737 126.083,738 0.579,739 0.347,740 0.179,741 0.1,742 16,743 9,744 0.157,745 8,747 1,748 3.542,749 226.815,751 12,752 117.627,754 1,755 21.161,756 9.175,757 4.976,759 156.04,760 12.41,761 3.996,763 1.149,764 57.278,765 529.317,766 37,767 -4.046,768 38.872,770 -0.8,771 50.854,772 56.614,773 0.307,774 0.668,775 0.831,776 0.879,777 0.879,778 0.879,779 4.875,780 1.141,781 5.778,782 3.544,783 4.369,784 4.89,785 2.499,786 6.663,787 4.283,788 6.104,789 1,790 7.402,791 2.85,792 4.205,793 4.966,794 1.593,795 8.013,796 4.049,797 7.452,798 1,799 9.153,800 2.275,801 6.075,802 7.153,803 3.429,804 11.109,805 5.876,806 8.848,807 0.49,808 10.984,809 2.136,810 6.746,811 8.07,812 3.395,813 13.317,814 6.451,815 10.286,816 0.405,817 12.87,818 0.768,819 8.169,820 9.825,821 4.687,822 16.068,823 7.824,824 11.755,825 -0.051,826 14.794,827 0.702,828 9.187,829 11.101,830 5.043,831 18.562,832 8.74,833 13.249,834 -0.524,835 16.747,836 -0.099,837 10.477,838 12.72,839 6.072,840 21.229,841 9.966,842 3.569,843 -0.578,844 18.721,845 -1.052,846 11.638,847 14.153,848 6.611,849 23.817,850 11.029,851 2.881,852 14.046,853 20.711,854 -1.369,855 12.895,856 15.729,857 7.509,858 26.464,859 12.212,860 2.517,861 9.953,862 22.713,863 4.766,864 14.115,865 17.233,866 8.141,867 29.085,868 13.341,869 2.463,870 7.186,871 24.725,872 3.487,873 15.37,874 18.795,875 8.97,876 31.727,877 14.515,878 1.875,879 6.89,880 26.743,881 3.421,882 16.616,883 20.331,884 9.651,885 34.361,886 15.674,887 1.792,888 5.497,889 28.767,890 3.165,891 17.874,892 21.89,893 10.443,894 37.002,895 16.851,896 1.487,897 4.506,898 30.796,899 2.393,900 19.132,901 23.44,902 11.152,903 39.64,904 18.024,905 7044,906 13049,907 17.394,908 32.551,909 41.313,910 45.567,911 44.214,912 41.188,913 41.243,914 53.466,915 8.564,916 120.703,917 39.546,918 5.852,919 6.734,920 7.547,921 5.559,922 5.569,923 7.766,924 3.697,925 22.465,926 5.306,927 16.939,928 1.475,929 1.627,930 1.579,931 1.471,932 1.473,933 1.91,934 0.306,935 4.311,936 1.412,937 4.106,938 4.091,939 4.743,940 4.08,941 7.715,942 3.996,943 3.869,944 3.903,945 3.811,946 3.773,947 7.431,948 3.775,949 3.761,950 3.804,951 3.725,952 3.632,953 6.999,954 3.627,955 3.595,956 3.585,957 3.63,958 3.486,959 6.493,960 3.424,961 3.356,962 3.407,963 3.223,964 3.061,965 4.898,966 3.088,967 3.203,968 3.277,969 3.02,970 2.946,971 4.846,972 2.954,973 3.086,974 3.137,975 2.965,976 2.892,977 4.33,978 2.875,979 2.874,980 3.009,981 2.687,982 2.735,983 4.229,984 2.715,985 0.177,986 0.169,987 0.277,988 0.161,989 0.127,990 4.954,991 0.17,992 4.734,993 0.075,994 7.745,995 0.502,996 4.499,997 0.118,998 3.569,999 4.766,1000 2.105,1001 14.046,1002 3.306,1003 1.973,1004 1.981,1005 2.009,1006 2.069,1007 1.317,1008 2.095,1009 1.846,1010 1.811,1011 1.961,1012 1.962,1013 1.139,1014 1.969,1015 1.735,1016 1.689,1017 1.938,1018 1.9,1019 1.053,1020 1.911,1021 1.447,1022 1.457,1023 1.572,1024 1.644,1025 0.724,1026 1.672,1027 1.219,1028 1.173,1029 1.524,1030 1.568,1031 0.576,1032 1.535,1033 1.142,1034 1.075,1035 1.417,1036 1.457,1037 0.469,1038 1.465,1039 1.046,1040 0.998,1041 1.348,1042 1.24,1043 0.447,1044 1.308,1045 0.934,1046 0.821,1047 1.181,1048 1.239,1049 0.361,1050 1.281,1051 4.043,1052 5.361,1054 6.889,1056 8.509,1058 10.179,1059 4.901,1062 9.124,1063 -0.071,1064 1.574,1065 5.065,1067 -1.496,1068 1.071,1069 31.093,1070 86.728,1071 188.577,1072 234.418,1073 247.928,1074 247.928,1075 247.928,1076 96.735,1077 6.54,1078 108.83,1079 117.21,1080 12,1081 12.491,1082 4,1083 3.322,1084 57.617,1085 82,1086 115,1087 0.327,1088 199.649,1089 350.42,1090 478.904,1091 4434,1093 20.027,1094 0.742,1095 0.599,1096 20.277,1097 16.18,1098 12.806,1099 0.457,1100 0.348,1101 8.266,1102 11.386,1103 7.854,1104 6.624,1105 13.595,1106 9.737,1107 11.5,1108 0.295,1109 0.209,1110 12.801,1111 8.143,1112 9.279,1113 0.186,1114 0.118,1115 10.583,1116 5.889,1117 7.147,1118 0.117,1119 0.073,1120 8.415,1121 4.428,1122 5.571,1123 0.075,1124 0.041,1125 6.905,1126 3.063,1127 0.49,1128 89.696,1129 0.24,1130 25.254,1131 0.978,1132 134,1133 479.575,1134 190.25,1135 472.64,1136 618.19,1137 432,1138 156,1139 406.459,1140 222.126,1141 447.277,1142 643.23,1143 414,1144 8} {0 CHEMBL68315,1 1.753,2 10.958,3 2.522,4 6.358,5 86.925,6 8.641,7 0.615,8 3.765,9 3.885,10 3.431,11 3.304,12 5.059,13 3.323,14 4.222,15 4.364,16 3.795,17 3.652,18 5.572,19 3.66,20 4.467,21 4.663,22 3.82,23 3.695,24 5.833,25 3.698,26 4.436,27 4.646,28 3.69,29 3.583,30 5.932,31 3.571,32 4.265,33 4.47,34 3.467,35 3.437,36 5.569,37 3.408,38 4.192,39 4.389,40 3.53,41 3.328,42 5.867,43 3.317,44 4.088,45 4.315,46 3.283,47 3.235,48 5.38,49 3.209,50 3.934,51 4.134,52 3.263,53 3.192,54 5.264,55 3.181,56 0.14,57 0.725,58 5.711,59 3.075,60 18.354,61 3.353,62 0.26,63 1.116,64 10.016,65 5.169,66 28.539,67 5.919,68 0.519,69 1.337,70 16.712,71 6.346,72 63.603,73 7.123,74 0.714,75 1.341,76 17.567,77 6.237,78 101.493,79 6.943,80 0.456,81 0.941,82 14.796,83 5.664,84 71.63,85 6.541,86 0.659,87 0.842,88 13.462,89 4.633,90 99.827,91 5.931,92 0.428,93 0.76,94 13.236,95 4.455,96 58.569,97 5.423,98 0.279,99 0.763,100 10.086,101 3.924,102 37.01,103 4.548,104 18,105 36,106 0.311,107 0.671,108 0.802,109 0.874,110 0.874,111 0.874,112 3.228,113 0.829,114 -4.09,115 -4.03,116 -3.82,117 44.7,122 1,124 2,125 6,126 1,127 3,129 1,130 1,132 1,133 1,134 1,135 1,136 1,138 5,140 2,141 2,142 4,143 5,145 2,146 1,147 1,148 1,149 4,150 1,151 4,154 4,155 1,156 1,157 5,160 1,162 1,163 2,164 4,165 2,166 1,167 3,170 3,171 3,172 1,174 2,176 1,177 1,178 2,179 1,180 1,182 1,184 1,185 4,188 1,189 1,190 2,191 4,192 1,193 784,194 16.11,195 16.11,196 16.11,197 16.11,198 16.11,199 13.884,200 15.994,201 9.42,202 16.366,203 12.76,204 12.76,205 12.76,206 12.76,207 12.76,208 9.31,209 19.901,210 4.406,211 13.249,212 3.494,213 1.461,214 0.724,215 0.316,216 0.316,217 0.316,218 3.907,219 1,220 1,221 561,222 3.24,223 59.092,224 151.857,225 103.513,226 1.715,227 38.679,228 1,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 54,239 263,240 4.489,241 3.48,242 6.39,243 3.98,244 3.021,245 4.435,246 1.058,247 9.637,248 2.898,249 4.348,250 3.288,251 6.274,252 3.926,253 2.965,254 4.022,255 0.522,256 9.591,257 2.84,258 3.867,259 3.061,260 5.455,261 3.505,262 2.532,263 3.255,265 7.313,266 2.457,267 3.558,268 2.592,269 5.083,270 3.136,271 2.149,272 2.863,274 6.044,275 2.109,276 3.254,277 2.517,278 4.841,279 2.842,280 1.879,281 2.511,283 5.289,284 1.814,285 3.232,286 2.131,287 4.773,288 2.787,289 1.864,290 2.481,292 5.104,293 1.678,294 3.014,295 1.591,296 4.405,297 2.492,298 1.52,299 2.262,301 4.283,302 1.488,303 2.951,304 1.524,305 4.023,306 2.481,307 1.486,308 2.11,309 3.541,310 1.463,311 2.418,312 1.226,313 3.262,314 1.774,315 0.807,316 1.165,317 1.812,318 0.769,319 1.958,320 0.77,321 3.148,322 1.443,323 0.496,324 0.701,325 1.218,326 0.467,327 1.538,328 0.639,329 2.785,330 1.3,331 0.379,332 0.432,333 0.561,334 0.349,335 1.261,336 0.52,337 2.675,338 0.896,339 -0.024,340 -0.029,341 -0.061,342 -0.022,343 1.143,344 0.233,345 2.352,346 0.688,347 -0.307,348 -0.433,349 -0.757,350 -0.298,351 1,352 0.159,353 2.311,354 0.557,355 -0.347,356 -0.445,357 -0.769,358 -0.303,359 0.656,360 -0.485,361 2.14,362 0.179,363 -0.804,364 -1.096,365 -2.13,366 -0.784,367 11.005,368 0.459,369 0.609,370 0.025,371 33,372 1.375,373 17.5,374 0.729,375 15.5,376 0.646,377 15.324,378 0.638,379 25.595,380 0.674,381 24.839,382 1.035,383 6.993,384 0.291,385 4.57,386 0.19,387 0.119,389 0.363,390 2,391 0.667,392 0.95,393 0.674,394 0.876,395 0.604,396 0.787,397 0.629,398 1.101,399 0.726,400 1.125,401 0.604,402 1.011,403 1.075,404 1.056,405 0.991,406 0.976,407 0.976,408 0.952,409 1.135,410 1.003,411 1.128,412 1.014,413 1.054,414 1.042,415 1.09,416 0.964,417 1.074,418 1.088,419 1.173,420 1.086,421 0.545,422 0.776,423 0.835,424 1.023,425 0.637,426 1.037,427 0.976,428 0.747,429 0.966,430 0.807,431 1.016,432 0.858,433 0.985,434 0.98,435 0.902,436 0.921,437 0.931,438 0.889,439 5.5,440 0.124,441 2.667,442 2.042,443 1.147,444 0.702,445 0.361,446 0.352,447 0.155,448 0.142,449 6811,450 23468,451 2.04,452 36.8,454 10,456 4,460 1.664,461 1.895,462 3.394,463 1.819,464 1,465 1,466 1,467 66.631,468 1.753,469 3.787,470 4.524,471 4.932,472 4.932,473 4.932,474 2.872,475 4.002,476 4.56,477 3.579,478 987.836,479 7.839,480 12009.8,481 1,482 1,483 1,484 199.421,485 1.459,486 4.507,487 0.212,488 0.008,489 0.074,490 0.058,491 0.04,492 0.029,493 0.015,494 0.018,495 0.008,496 0.007,497 0.468,498 0.17,499 1,500 0.813,501 115.979,502 -0.099,503 -0.007,504 -0.012,505 0.085,506 -0.093,507 0.085,508 0.027,509 -0.169,510 0.02,511 -0.155,512 0.009,513 -0.1,514 -0.137,515 -0.077,516 -0.062,517 -0.026,518 -0.076,519 -0.016,520 -0.037,521 0.05,522 -0.128,523 -0.047,524 0.033,525 -0.091,526 -0.129,527 -0.072,528 -0.091,529 -0.099,530 -0.157,531 -0.087,532 0.403,533 0.044,534 0.143,535 -0.087,536 0.369,537 -0.078,538 -0.065,539 0.07,540 0.051,541 0.147,542 -0.084,543 0.147,544 -0.117,545 -0.082,546 0.04,547 0.061,548 -0.05,549 0.1,550 2.397,551 5.493,552 0.625,553 19.917,554 1.028,555 1.141,556 2.858,557 8.166,558 0.682,559 3.296,560 3.611,561 3.85,562 4.078,563 4.22,564 4.234,565 4.234,566 4.344,567 4.22,568 4.22,569 6.477,570 0.677,571 328.35,572 3.296,573 4.828,574 5.666,575 6.535,576 7.388,577 8.26,578 9.118,579 9.991,580 10.852,581 11.725,582 10.5,583 1,586 1,587 1,588 1,589 2,590 6,591 1,592 1,593 5,594 16,599 2,600 38,601 18,602 2,603 26,604 40,605 17,606 13,607 6,608 6,609 3,610 3,611 4,612 1,616 16,617 1,619 2,621 1,622 2,623 1,624 1,625 1,626 2,627 14,628 6,629 4,630 7,632 1,633 4,634 0.667,635 1,639 1,640 2,641 1,642 1,644 2,645 1,648 2,652 2,653 24,654 1,657 1,658 1,663 2,664 2.6,666 1,668 12.667,669 6.652,670 5.333,671 2.053,672 3.625,673 1.52,674 1.024,675 4.584,676 10.594,677 3.611,678 4.245,679 4.845,680 5.442,681 5.93,682 6.193,683 6.492,684 6.878,685 6.825,686 7.028,687 1,688 35,689 8.9,690 3.895,691 8.243,692 16.097,693 12.917,694 2.743,695 65.833,699 117.711,700 113.421,701 84.479,702 25.145,703 29.92,705 113.421,706 142.856,707 114.399,709 53.014,710 75.81,711 48.963,712 43.114,713 32.064,714 117.711,715 117.711,716 197.9,717 55.065,719 147.631,720 25.145,722 74.271,723 87.891,724 35.738,726 147.631,727 109.624,728 113.421,730 117.711,731 37.611,732 75.81,733 34.796,734 104.748,735 117.711,736 139.544,737 113.421,738 0.581,739 0.339,740 0.179,741 0.093,742 17,743 8,744 0.1,745 4,746 1,747 1.133,748 3.67,749 186.064,750 0.133,751 15,752 104.039,755 16.154,756 6.81,757 3.63,758 1.467,759 122.759,760 8.646,761 4.267,762 3.039,763 -0.565,764 67.693,765 370.676,766 36,768 11.915,769 2.168,770 -0.508,771 39.062,772 43.373,773 0.334,774 0.722,775 0.862,776 0.94,777 0.94,778 0.94,779 4.828,780 1.486,781 5.652,782 4.283,783 4.29,784 4.931,785 1.331,786 6.438,787 4.214,788 6.057,789 0.807,790 7.2,791 3.541,792 3.892,793 4.796,795 7.273,796 3.76,797 7.371,798 0.496,799 8.841,800 1.812,801 5.866,802 7.192,803 1.297,804 10.335,805 5.717,806 8.721,807 0.379,808 10.536,809 1.218,810 6.256,811 7.872,813 11.979,814 6.041,815 10.1,816 -0.024,817 12.266,818 0.561,819 7.711,820 9.744,821 1.348,822 14.55,823 7.483,824 11.5,825 -0.307,826 14.02,827 -0.061,828 8.471,829 10.824,831 16.544,832 8.177,833 12.917,834 -0.347,835 15.793,836 -0.757,837 9.715,838 12.473,839 1.425,840 18.93,841 9.402,842 3.021,843 -0.804,844 17.579,845 -0.769,846 10.652,847 13.755,849 21.076,850 10.278,851 2.965,852 9.637,853 19.377,854 -2.13,855 11.806,856 15.303,857 1.51,858 23.389,859 11.406,860 2.532,861 9.591,862 21.184,863 4.435,864 12.827,865 16.683,867 25.601,868 12.371,869 2.149,870 7.313,871 22.998,872 4.022,873 13.944,874 18.187,875 1.599,876 27.884,877 13.455,878 1.879,879 6.044,880 24.818,881 3.255,882 15.004,883 19.615,885 30.124,886 14.464,887 1.864,888 5.289,889 26.643,890 2.863,891 16.106,892 21.102,893 1.69,894 32.395,895 15.53,896 1.52,897 5.104,898 28.472,899 2.511,900 17.184,901 22.554,903 34.648,904 16.56,905 6613,906 12403,907 17.107,908 25.921,909 38.796,910 39.943,911 39.955,912 38.264,913 38.197,914 52.474,915 3.16,916 108.788,917 36.666,918 5.278,919 5.48,920 5.936,921 5.022,922 5.021,923 7.435,924 2.117,925 16.196,926 4.898,927 12.509,928 1.492,929 1.536,930 1.537,931 1.472,932 1.469,933 2.018,934 0.122,935 4.184,936 1.41,937 4.11,938 4.154,939 4.075,940 3.986,941 8.21,942 4.002,943 3.941,944 3.964,945 3.909,946 3.862,947 8.191,948 3.868,949 3.623,950 3.672,951 3.566,952 3.437,953 7.43,954 3.459,955 3.444,956 3.499,957 3.342,958 3.296,959 5.125,960 3.301,961 3.14,962 3.238,963 2.994,964 2.904,965 4.914,966 2.918,967 2.957,968 3.021,969 2.913,970 2.781,971 4.56,972 2.779,973 2.937,974 2.985,975 2.838,976 2.73,977 4.355,978 2.753,979 2.875,980 2.93,981 2.775,982 2.688,983 4.148,984 2.706,985 0.173,986 0.134,987 0.246,988 0.153,989 0.116,990 4.489,991 0.171,992 3.48,993 0.041,994 6.39,995 0.371,996 3.98,997 0.111,998 3.021,999 4.435,1000 1.058,1001 9.637,1002 2.898,1003 1.927,1004 1.902,1005 2.008,1006 2.037,1007 1.119,1008 2.029,1009 1.893,1010 1.871,1011 1.976,1012 1.988,1013 1.072,1014 1.983,1015 1.556,1016 1.486,1017 1.741,1018 1.819,1019 0.834,1020 1.801,1021 1.482,1022 1.446,1023 1.631,1024 1.666,1025 0.637,1026 1.65,1027 1.065,1028 1.001,1029 1.286,1030 1.356,1031 0.306,1032 1.347,1033 0.951,1034 0.873,1035 1.147,1036 1.221,1037 0.192,1038 1.205,1039 0.832,1040 0.787,1041 1.055,1042 1.074,1043 0.072,1044 1.062,1045 0.814,1046 0.763,1047 1.035,1048 1.051,1049 0.022,1050 1.047,1051 3.97,1052 5.283,1053 2.398,1054 6.781,1055 4.727,1056 8.365,1057 6.823,1058 9.993,1060 26.987,1061 5.518,1063 0.285,1064 2.615,1069 25.728,1070 66.631,1071 143.911,1072 171.911,1073 187.421,1074 187.421,1075 187.421,1076 54.808,1077 6.969,1078 83.8,1079 83.8,1080 17,1081 12.269,1082 4.248,1083 3.459,1084 39.546,1085 95,1086 88,1087 0.204,1088 158.883,1089 274.05,1090 379.435,1091 9912,1092 5.3,1093 17.104,1094 0.713,1095 0.521,1096 15.364,1097 12.515,1098 11.563,1099 0.445,1100 0.276,1101 7.057,1102 11.037,1103 6.966,1104 5.755,1105 10.742,1106 7.184,1107 10.412,1108 0.289,1109 0.141,1110 9.367,1111 5.077,1112 8.607,1113 0.187,1114 0.074,1115 7.626,1116 3.394,1117 7.007,1118 0.121,1119 0.039,1120 6.206,1121 2.246,1122 5.22,1123 0.078,1124 0.021,1125 4.983,1126 1.425,1127 0.327,1128 73.265,1129 0.242,1130 23.779,1131 0.539,1132 124,1133 501.581,1134 140.787,1135 436.198,1136 573.75,1137 404,1138 144,1139 408.05,1140 159.556,1141 400.898,1142 584.58,1143 378,1144 4.125} {0 CHEMBL68529,1 1.387,2 12.259,3 4.48,4 20.071,5 111.378,6 7.15,7 0.733,8 4.002,9 4.128,10 3.541,11 3.59,12 5.08,13 3.556,14 4.494,15 4.652,16 3.854,17 3.965,18 5.51,19 3.905,20 4.729,21 4.936,22 3.861,23 4.047,24 5.676,25 3.952,26 4.782,27 5.019,28 3.706,29 3.969,30 5.671,31 3.849,32 4.677,33 4.926,34 3.626,35 3.91,36 5.517,37 3.781,38 4.62,39 4.859,40 3.661,41 3.925,42 5.516,43 3.81,44 4.622,45 4.85,46 3.646,47 3.936,48 5.526,49 3.813,50 4.605,51 4.85,52 3.535,53 3.865,54 5.464,55 3.726,56 0.061,57 0.703,58 10.617,59 4.454,60 10.119,61 5.981,62 0.121,63 1.108,64 18.321,65 7.508,66 18.219,67 10.109,68 0.186,69 1.359,70 24.489,71 9.637,72 27.364,73 13.272,74 0.321,75 1.372,76 27.312,77 9.905,78 34.869,79 13.667,80 0.22,81 1.234,82 24.43,83 9.549,84 26.319,85 13.306,86 0.162,87 1.199,88 22.499,89 8.877,90 25.086,91 12.517,92 0.182,93 1.196,94 22.351,95 9.091,96 26.237,97 12.63,98 0.147,99 1.165,100 22.283,101 8.916,102 24.443,103 12.591,104 3,105 40,106 0.231,107 0.528,108 0.686,109 0.837,110 0.878,111 0.887,112 3.339,113 0.912,114 -4.43,115 -4.36,116 -4.11,117 46,122 3,125 13,126 3,127 2,130 2,134 1,135 1,136 1,138 13,140 3,142 6,143 13,145 4,148 1,149 6,150 1,151 8,152 1,154 3,155 1,156 4,157 5,158 1,160 1,162 1,163 3,164 10,165 2,167 2,170 2,171 16,172 1,174 2,177 1,178 3,179 1,180 15,182 1,184 3,185 10,189 1,190 4,191 8,192 1,193 1192,194 18.886,195 18.886,196 18.886,197 18.886,198 18.886,199 16.274,200 20.991,201 11.429,202 19.122,203 14.803,204 14.803,205 14.803,206 14.803,207 14.803,208 10.862,209 30.659,210 5.416,211 15.21,212 4.257,213 2.474,214 1.529,215 0.622,216 0.375,217 0.32,218 4.044,220 1,221 727,222 2.915,223 63.904,224 249.917,225 111.018,226 1.844,227 13.619,229 1,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 56.5,239 331,240 4.488,241 3.185,242 6.273,243 3.996,244 3.018,245 4.434,246 1.151,247 9.586,248 2.951,249 4.203,250 3.07,251 6.141,252 3.82,253 2.855,254 3.806,255 0.657,256 9.046,257 2.755,258 3.888,259 2.764,260 5.341,261 3.495,262 2.503,263 3.44,264 0.522,265 6.972,266 2.482,267 3.739,268 2.582,269 5.319,270 3.352,271 2.388,272 3.173,274 6.912,275 2.299,276 3.297,277 2.225,278 5.031,279 2.938,280 1.969,281 2.559,283 5.821,284 1.904,285 3.016,286 2.005,287 4.434,288 2.607,289 1.656,290 2.265,292 4.405,293 1.569,294 2.988,295 1.62,296 4.395,297 2.506,298 1.522,299 2.16,301 4.272,302 1.497,303 2.915,304 1.524,305 3.667,306 2.485,307 1.491,308 2.084,309 3.179,310 1.481,311 2.854,312 1.498,313 3.598,314 2.402,315 1.414,316 1.997,317 3.018,318 1.391,319 2.5,320 1,321 3.259,322 2,323 1,324 1.5,325 2.136,326 1,327 2.071,328 0.959,329 3.247,330 1.722,331 0.769,332 0.959,333 1.775,334 0.73,335 1.903,336 0.915,337 3.114,338 1.531,339 0.615,340 0.754,341 1.422,342 0.557,343 1.709,344 0.664,345 3.059,346 1.336,347 0.388,348 0.503,349 0.947,350 0.358,351 1.528,352 0.439,353 2.72,354 1.314,355 0.368,356 0.429,357 0.552,358 0.356,359 1.06,360 0.088,361 2.489,362 0.733,363 -0.227,364 -0.277,365 -0.559,366 -0.216,367 13.033,368 0.483,369 0.444,370 0.016,371 37.75,372 1.398,373 21,374 0.778,375 16.75,376 0.62,377 18.607,378 0.689,379 27.767,380 0.555,381 26.224,382 0.971,383 7.786,384 0.288,385 5.528,386 0.205,387 0.031,389 0.269,391 1.077,392 1.041,393 0.858,394 0.911,395 1.191,396 0.863,397 1.242,398 1.142,399 0.991,400 1.048,401 1.05,402 1.005,403 1.127,404 1.144,405 1.048,406 1.141,407 0.841,408 1.096,409 1.589,410 1.034,411 1.146,412 1.029,413 1.264,414 1.049,415 1.081,416 0.921,417 0.952,418 0.942,419 0.821,420 0.944,421 0.894,422 0.918,423 0.937,424 0.927,425 0.911,426 0.931,427 0.915,428 0.948,429 1.025,430 1.029,431 0.857,432 1.039,433 0.836,434 1.042,435 1.021,436 1.074,437 0.876,438 1.066,439 4.5,440 0.078,441 2.222,442 1.167,443 0.987,444 0.688,445 0.276,446 0.198,447 0.232,448 0.141,449 10141,450 23047,451 2.165,452 46,454 19,456 4,460 1.698,461 2.104,462 3.58,463 1.588,465 1,467 69.354,468 1.387,469 3.169,470 4.114,471 5.021,472 5.269,473 5.324,474 3.056,475 4.31,476 4.726,477 3.728,478 1308.7,479 8.189,480 17483.4,482 1,483 1,484 282.193,485 1.038,486 4.719,487 0.15,488 0.004,489 0.056,490 0.031,491 0.032,492 0.023,493 0.009,494 0.006,495 0.009,496 0.006,497 0.325,499 1,500 0.528,501 136.187,502 -0.086,503 0.084,504 0.035,505 0.072,506 -0.196,507 0.071,508 -0.103,509 -0.083,510 -0.063,511 -0.063,512 -0.113,513 -0.06,514 0.004,515 -0.131,516 -0.083,517 -0.167,518 0.039,519 -0.137,520 -0.089,521 -0.055,522 -0.126,523 -0.07,524 -0.134,525 -0.098,526 -0.004,527 0.025,528 0.042,529 0.047,530 0.065,531 0.045,532 -0.047,533 0.067,534 0.03,535 0.06,536 0.007,537 0.056,538 -0.021,539 0.028,540 -0.065,541 -0.034,542 -0.02,543 -0.051,544 -0.028,545 -0.08,546 -0.054,547 -0.082,548 -0.059,549 -0.072,550 0.983,551 2.541,552 0.778,553 26.165,554 0.989,555 1.117,556 3.202,557 10.252,558 0.682,559 3.434,560 3.714,561 3.97,562 4.205,563 4.407,564 4.394,565 4.489,566 4.615,567 4.644,568 4.71,569 7.081,570 0.641,571 357.49,572 3.434,573 4.949,574 5.784,575 6.637,576 7.487,577 8.346,578 9.202,579 10.063,580 10.923,581 11.786,582 6,583 1,585 1,587 1,589 2,590 13,592 1,593 5,594 22,597 1,598 1,600 50,601 22,602 3,603 30,604 53,605 23,606 20,607 6,608 12,610 4,611 5,612 1,616 20,617 3,625 1,627 23,628 3,629 4,630 4,633 3,634 0.75,635 1,638 1,639 1,640 3,641 1,645 1,648 3,653 27,654 1,657 3,658 1,659 1,664 2,667 1,668 12.833,669 8.583,670 6.056,671 2.826,672 4.248,673 1.562,674 1.035,675 5.421,676 11.803,677 3.738,678 4.347,679 4.941,680 5.519,681 6.027,682 6.176,683 6.522,684 6.911,685 7.011,686 7.321,687 1,688 38,689 9.936,690 4.136,691 7.525,692 19.363,693 15.819,694 2.025,695 54.667,697 1,698 1,699 223.651,700 153.84,701 67.693,702 11,705 153.84,706 234.651,707 67.693,709 41.701,710 123.191,711 18.011,712 44.73,713 4.901,714 223.651,715 223.651,716 221.534,717 11,719 223.651,720 11,722 58.487,723 145.036,724 18.011,726 223.651,727 78.693,728 153.84,730 223.651,731 30.649,732 123.191,733 34.796,734 43.897,735 223.651,736 78.693,737 153.84,738 0.566,739 0.33,740 0.179,741 0.098,742 19,743 7,744 0.132,745 7,746 1,747 1.095,748 4.103,749 222.321,750 0.095,751 21,752 122.382,755 17.65,756 8.293,757 4.327,758 2.265,759 61.908,760 26.747,762 3.315,763 5.311,764 67.693,765 456.184,766 41,771 49.469,772 55.856,773 0.246,774 0.562,775 0.729,776 0.89,777 0.934,778 0.943,779 4.931,780 1.491,781 5.727,782 4.272,783 4.394,784 5.034,785 1.621,786 6.472,787 4.34,788 6.121,789 1.414,790 7.236,791 3.179,792 3.761,793 4.691,795 7.209,796 3.689,797 7.408,798 1,799 8.843,800 3.018,801 5.922,802 7.251,803 1.615,804 10.282,805 5.816,806 8.734,807 0.769,808 10.508,809 2.136,810 6.155,811 7.79,813 11.877,814 6.022,815 10.093,816 0.615,817 12.212,818 1.775,819 7.715,820 9.76,821 1.766,822 14.419,823 7.56,824 11.476,825 0.388,826 13.942,827 1.422,828 8.369,829 10.743,831 16.376,832 8.184,833 12.877,834 0.368,835 15.692,836 0.947,837 9.664,838 12.446,839 1.979,840 18.729,841 9.459,842 3.018,843 -0.227,844 17.456,845 0.552,846 10.532,847 13.665,849 20.844,850 10.296,851 2.855,852 9.586,853 19.231,854 -0.559,855 11.705,856 15.242,857 2.217,858 23.126,859 11.449,860 2.503,861 9.046,862 21.015,863 4.434,864 12.681,865 16.586,867 25.312,868 12.395,869 2.388,870 6.972,871 22.806,872 3.806,873 13.8,874 18.105,875 2.469,876 27.568,877 13.494,878 1.969,879 6.912,880 24.603,881 3.44,882 14.83,883 19.515,885 29.785,886 14.495,887 1.656,888 5.821,889 26.404,890 3.173,891 15.927,892 21.009,893 2.728,894 32.032,895 15.571,896 1.522,897 4.405,898 28.21,899 2.559,900 16.985,901 22.454,903 34.263,904 16.602,905 9474,906 14382,907 20.86,908 34.086,909 43.928,910 44.272,911 44.529,912 43.848,913 43.911,914 60.125,915 4.659,916 120.086,917 42.663,918 5.354,919 5.185,920 6.075,921 5.057,922 5.018,923 7.434,924 2.302,925 15.931,926 4.951,927 7.176,928 1.464,929 1.476,930 1.484,931 1.462,932 1.464,933 2.004,934 0.155,935 4.003,936 1.422,937 4.132,938 4.168,939 4.089,940 4.043,941 5.075,942 4.05,943 3.952,944 3.976,945 3.889,946 3.876,947 4.898,948 3.874,949 3.865,950 3.896,951 3.793,952 3.809,953 4.854,954 3.802,955 3.556,956 3.622,957 3.463,958 3.403,959 4.718,960 3.41,961 3.268,962 3.365,963 3.109,964 3.073,965 4.343,966 3.07,967 3.227,968 3.271,969 3.097,970 3.038,971 4.287,972 3.041,973 3.054,974 3.144,975 2.883,976 2.855,977 3.9,978 2.849,979 2.927,980 2.993,981 2.802,982 2.786,983 3.732,984 2.785,985 0.15,986 0.106,987 0.209,988 0.133,989 0.101,990 4.488,991 0.148,992 3.185,993 0.038,994 6.273,995 0.32,996 3.996,997 0.098,998 3.018,999 4.434,1000 1.151,1001 9.586,1002 2.951,1003 1.954,1004 1.929,1005 2.056,1006 2.056,1007 1.195,1008 2.057,1009 1.912,1010 1.888,1011 2.027,1012 2.003,1013 1.139,1014 2.011,1015 1.866,1016 1.84,1017 1.977,1018 1.944,1019 1.1,1020 1.957,1021 1.621,1022 1.561,1023 1.796,1024 1.832,1025 0.923,1026 1.828,1027 1.282,1028 1.211,1029 1.523,1030 1.516,1031 0.676,1032 1.523,1033 1.188,1034 1.141,1035 1.452,1036 1.42,1037 0.607,1038 1.429,1039 1.034,1040 0.949,1041 1.33,1042 1.347,1043 0.352,1044 1.35,1045 0.942,1046 0.876,1047 1.181,1048 1.127,1049 0.244,1050 1.149,1051 4.111,1052 5.398,1053 2.398,1054 6.88,1055 4.727,1056 8.447,1057 6.823,1058 10.056,1061 5.713,1063 1.781,1064 3.494,1065 6.041,1069 32.047,1070 69.354,1071 158.472,1072 205.723,1073 251.073,1074 263.438,1075 266.193,1076 32.462,1077 7.556,1078 63.07,1079 63.07,1080 23,1081 12.335,1082 4.524,1083 3.585,1084 40.347,1085 114,1086 113,1087 0.168,1088 196.926,1089 328.81,1090 472.259,1091 22556,1093 18.476,1094 0.684,1095 0.56,1096 18.476,1097 15.112,1098 13.314,1099 0.444,1100 0.304,1101 9.035,1102 13.013,1103 8.828,1104 7.35,1105 13.314,1106 9.119,1107 11.408,1108 0.285,1109 0.163,1110 11.408,1111 6.536,1112 9.781,1113 0.188,1114 0.088,1115 9.781,1116 4.589,1117 7.991,1118 0.121,1119 0.048,1120 7.991,1121 3.136,1122 6.544,1123 0.081,1124 0.026,1125 6.544,1126 2.121,1127 0.269,1128 82.008,1129 0.219,1130 26.405,1131 0.443,1132 140,1133 335.714,1134 148.011,1135 335.53,1136 473.11,1137 318,1138 162,1139 355.821,1140 170.677,1141 366.44,1142 532.22,1143 346,1144 4.143} {0 CHEMBL70273,1 1.582,2 10.773,3 0.96,4 0.922,5 84.336,6 7.929,7 0.667,8 3.726,9 3.857,10 3.337,11 3.266,12 4.936,13 3.267,14 4.173,15 4.331,16 3.655,17 3.611,18 5.384,19 3.589,20 4.38,21 4.592,22 3.598,23 3.656,24 5.529,25 3.601,26 4.343,27 4.579,28 3.437,29 3.549,30 5.443,31 3.475,32 4.187,33 4.402,34 3.355,35 3.406,36 5.374,37 3.344,38 4.13,39 4.343,40 3.294,41 3.3,42 5.432,43 3.248,44 4.018,45 4.261,46 3.152,47 3.205,48 5.167,49 3.139,50 3.862,51 4.078,52 3.014,53 3.149,54 4.958,55 3.078,56 0.057,57 0.594,58 6.714,59 2.767,60 9.497,61 3.561,62 0.147,63 0.889,64 11.382,65 4.569,66 18.3,67 6.087,68 0.259,69 1.002,70 16.289,71 5.576,72 33.386,73 7.561,74 0.241,75 0.916,76 16.607,77 5.527,78 30.624,79 7.674,80 0.17,81 0.762,82 13.919,83 5.117,84 28.1,85 6.864,86 0.299,87 0.715,88 13.339,89 4.344,90 43.385,91 5.814,92 0.224,93 0.635,94 12.48,95 4.139,96 27.803,97 5.796,98 0.142,99 0.569,100 9.891,101 3.495,102 22.277,103 4.711,104 6,105 32,106 0.282,107 0.658,108 0.833,109 0.909,110 0.909,111 0.909,112 3.145,113 0.853,114 -1.91,115 -1.96,116 -1.97,117 43.2,122 1,124 2,125 5,126 1,127 1,128 2,129 1,130 1,132 1,133 1,134 1,135 1,136 1,138 5,140 4,141 2,142 4,143 4,145 4,146 1,147 1,148 1,149 4,150 1,151 3,154 5,155 1,156 1,157 3,160 2,162 1,163 3,164 3,165 2,166 2,167 2,168 1,170 2,171 3,172 1,174 1,176 1,177 1,178 1,179 1,180 3,182 3,184 1,185 3,187 2,188 1,189 1,190 2,191 1,192 1,193 642,194 15.11,195 15.11,196 15.11,197 15.11,198 15.11,199 12.989,200 12.739,201 9.124,202 15.328,203 11.831,204 11.831,205 11.831,206 11.831,207 11.831,208 8.533,209 17.915,210 4.337,211 12.201,212 3.627,213 1.517,214 0.53,215 0.108,216 0.108,217 0.108,218 3.83,220 1,221 511,222 3.082,223 53.223,224 137.99,225 93.686,226 1.702,227 19.38,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 47.5,239 237,240 4.489,241 3.477,242 6.274,243 3.979,244 3.02,245 4.435,246 1.058,247 9.591,248 2.897,249 3.988,250 3.061,251 5.47,252 3.581,253 2.593,254 3.529,255 0.522,256 7.349,257 2.561,258 3.826,259 2.526,260 5.336,261 3.439,262 2.465,263 3.243,265 6.959,266 2.396,267 3.535,268 2.496,269 5.078,270 3.118,271 2.131,272 2.837,274 6.023,275 2.092,276 3.249,277 2.13,278 4.749,279 2.833,280 1.852,281 2.506,283 5.232,284 1.807,285 3.014,286 1.524,287 4.404,288 2.485,289 1.52,290 2.261,292 4.28,293 1.464,294 2.949,295 1.522,296 3.625,297 2.445,298 1.477,299 2.11,301 3.123,302 1.426,303 2.5,304 1,305 3.247,306 1.956,307 1,308 1.5,309 2.136,310 0.954,311 2.31,312 0.868,313 3.2,314 1.606,315 0.627,316 0.953,317 1.481,318 0.611,319 1.956,320 0.732,321 3.064,322 1.417,323 0.453,324 0.673,325 1.091,326 0.435,327 1.538,328 0.579,329 2.731,330 1.3,331 0.379,332 0.432,333 0.558,334 0.349,335 1.144,336 0.27,337 2.577,338 0.749,339 -0.224,340 -0.285,341 -0.607,342 -0.216,343 0.821,344 -0.363,345 2.238,346 0.396,347 -0.605,348 -0.821,349 -1.338,350 -0.596,351 0.655,352 -0.619,353 1.938,354 0.179,355 -0.806,356 -1.12,357 -2.13,358 -0.789,359 0.5,360 -0.804,361 1.636,362 -0.012,363 -1,364 -1.451,365 -2.347,366 -0.973,367 10.333,368 0.47,369 0.43,370 0.02,371 32,372 1.455,373 17.5,374 0.795,375 14.5,376 0.659,377 12.627,378 0.574,379 22.667,380 0.613,381 21.522,382 0.978,383 6.635,384 0.302,385 4.106,386 0.187,387 0.071,389 0.29,391 0.918,392 1.215,393 0.77,394 0.912,395 0.764,396 0.819,397 0.729,398 1.244,399 0.858,400 1.091,401 0.651,402 1.008,403 1.116,404 0.984,405 1.069,406 0.988,407 0.969,408 1.012,409 1.105,410 0.932,411 1.064,412 0.99,413 1.007,414 1.008,415 1.124,416 1.082,417 0.955,418 1.138,419 1.339,420 1.055,421 1.32,422 0.982,423 1.091,424 1.032,425 1.677,426 1.041,427 0.977,428 0.782,429 0.871,430 0.841,431 1.083,432 0.841,433 1.201,434 0.944,435 1.089,436 0.964,437 1.254,438 1.004,439 4.5,440 0.073,441 1.556,442 1.292,443 0.924,444 0.479,445 0.361,446 0.227,447 0.105,448 0.082,449 5617,450 15942,451 2.097,452 40.5,454 9,455 2,456 4,460 1.638,461 2,462 3.41,463 1.87,465 1,466 1,467 58.537,468 1.582,469 3.692,470 4.679,471 5.101,472 5.101,473 5.101,474 2.902,475 4.005,476 4.431,477 3.544,478 818.773,479 7.577,480 9350.08,481 1,482 1,484 192.75,485 1.241,486 4.407,487 0.188,488 0.006,489 0.049,490 0.045,491 0.039,492 0.022,493 0.018,494 0.013,495 0.007,496 0.005,497 0.39,498 0.33,499 1,500 0.72,501 103.413,502 -0.153,503 -0.049,504 0.008,505 0.056,506 -0.147,507 0.064,508 0.079,509 -0.142,510 -0.024,511 -0.122,512 0.026,513 -0.097,514 -0.121,515 0.037,516 -0.126,517 -0.035,518 -0.072,519 -0.073,520 -0.118,521 0.034,522 -0.078,523 -0.024,524 -0.06,525 -0.035,526 -0.011,527 -0.163,528 0.03,529 -0.134,530 -0.007,531 -0.063,532 0.072,533 -0.028,534 -0.08,535 -0.079,536 -0.015,537 -0.104,538 0.111,539 0.141,540 0.155,541 0.142,542 0.079,543 0.157,544 -0.215,545 0.025,546 -0.134,547 0.026,548 -0.206,549 -0.028,550 1.877,551 4.917,552 0.682,553 19.215,554 1.007,555 1.129,556 0.677,557 0.458,558 0.684,559 3.219,560 3.497,561 3.714,562 3.951,563 4.127,564 4.094,565 4.174,566 4.263,567 4.127,568 4.06,569 6.257,570 0.661,571 293.36,572 3.219,573 4.727,574 5.549,575 6.402,576 7.242,577 8.101,578 8.95,579 9.812,580 10.666,581 11.531,582 13.5,583 1,586 1,587 1,588 2,589 2,590 7,591 2,592 1,593 3,594 16,600 37,601 18,602 1,603 24,604 39,605 16,606 12,607 3,608 3,609 3,610 3,611 4,612 1,616 15,617 1,619 2,621 1,622 2,623 1,624 1,625 1,627 15,628 5,629 4,630 6,632 1,633 5,634 0.667,635 1,637 1,639 1,640 2,641 1,642 1,644 2,645 1,648 2,653 22,654 1,657 1,658 1,664 2.7,666 1,668 11,669 6.4,670 4.944,671 1.99,672 3.491,673 1.516,674 1.02,675 4.167,676 10.263,677 3.555,678 4.155,679 4.746,680 5.343,681 5.858,682 6.077,683 6.46,684 6.826,685 6.761,686 6.884,687 1,688 29,689 8.058,690 3.36,691 7.841,692 15.126,693 11.986,694 2.341,695 51.5,699 129.482,700 103.797,701 101.265,702 25.145,705 103.797,706 154.627,707 101.265,709 53.014,710 66.334,711 89.291,712 42.967,713 2.144,714 105.94,715 129.482,716 205.062,717 25.145,719 129.482,720 25.145,722 92.366,723 60.172,724 52.524,726 129.482,727 126.409,728 103.797,730 129.482,731 19.369,732 84.429,733 34.796,734 91.613,735 129.482,736 126.409,737 103.797,738 0.567,739 0.322,740 0.173,741 0.097,742 15,743 6,744 0.103,745 4,746 1,747 1.133,748 3.6,749 162.062,750 0.133,751 15,752 98.107,755 14.295,756 6.413,757 3.528,758 1.666,759 109.624,760 12.554,761 8.321,762 3.103,763 2.27,764 67.693,765 359.689,766 34,768 11.917,769 3.18,770 -0.21,771 37.254,772 41.777,773 0.304,774 0.709,775 0.898,776 0.979,777 0.979,778 0.979,779 4.745,780 1,781 5.501,782 3.123,783 4.174,784 4.84,785 1.331,786 6.236,787 4.115,788 5.948,789 0.627,790 7.006,791 2.136,792 3.611,793 4.543,795 6.934,796 3.542,797 7.238,798 0.453,799 8.602,800 1.481,801 5.694,802 7.062,803 1.297,804 9.995,805 5.573,806 8.564,807 0.379,808 10.253,809 1.091,810 5.943,811 7.625,813 11.528,814 5.798,815 9.921,816 -0.224,817 11.938,818 0.558,819 7.468,820 9.574,821 1.348,822 14.077,823 7.282,824 11.3,825 -0.605,826 13.648,827 -0.607,828 8.12,829 10.581,831 15.996,832 7.896,833 12.697,834 -0.806,835 15.377,836 -1.338,837 9.398,838 12.275,839 1.425,840 18.356,841 9.138,842 3.02,843 -1,844 17.121,845 -2.13,846 10.263,847 13.521,849 20.46,850 9.957,851 2.593,852 9.591,853 18.877,854 -2.347,855 11.428,856 15.096,857 1.51,858 22.75,859 11.086,860 2.465,861 7.349,862 20.644,863 4.435,864 12.404,865 16.465,867 24.939,868 12.013,869 2.131,870 6.959,871 22.42,872 3.529,873 13.521,874 17.987,875 1.599,876 27.206,877 13.092,878 1.852,879 6.023,880 24.203,881 3.243,882 14.554,883 19.417,885 29.433,886 14.076,887 1.52,888 5.232,889 25.994,890 2.837,891 15.654,892 20.918,893 1.69,894 31.693,895 15.135,896 1.477,897 4.28,898 27.791,899 2.506,900 16.717,901 22.377,903 33.937,904 16.15,905 5399,906 9199,907 16.296,908 25.29,909 35.542,910 36.092,911 35.685,912 34.962,913 35.033,914 48.958,915 3.16,916 95.647,917 33.983,918 5.275,919 5.477,920 6.076,921 5.021,922 5.02,923 7.435,924 2.117,925 15.942,926 4.897,927 8.354,928 1.481,929 1.504,930 1.487,931 1.457,932 1.46,933 2.04,934 0.132,935 3.985,936 1.416,937 4.109,938 4.153,939 4.074,940 3.984,941 7.43,942 4.001,943 3.894,944 3.932,945 3.836,946 3.802,947 5.126,948 3.805,949 3.614,950 3.667,951 3.554,952 3.419,953 4.917,954 3.444,955 3.438,956 3.494,957 3.337,958 3.283,959 4.907,960 3.289,961 3.136,962 3.235,963 2.988,964 2.897,965 4.363,966 2.91,967 2.95,968 3.017,969 2.827,970 2.781,971 4.185,972 2.779,973 2.869,974 2.925,975 2.763,976 2.696,977 3.879,978 2.703,979 2.754,980 2.841,981 2.618,982 2.522,983 3.794,984 2.539,985 0.187,986 0.145,987 0.261,988 0.166,989 0.126,990 4.489,991 0.185,992 3.477,993 0.044,994 6.274,995 0.4,996 3.979,997 0.121,998 3.02,999 4.435,1000 1.058,1001 9.591,1002 2.897,1003 1.923,1004 1.895,1005 2.008,1006 2.035,1007 1.118,1008 2.028,1009 1.86,1010 1.828,1011 1.968,1012 1.972,1013 1.01,1014 1.974,1015 1.555,1016 1.482,1017 1.74,1018 1.818,1019 0.834,1020 1.801,1021 1.461,1022 1.425,1023 1.609,1024 1.66,1025 0.596,1026 1.64,1027 1.06,1028 0.994,1029 1.285,1030 1.355,1031 0.306,1032 1.345,1033 0.951,1034 0.873,1035 1.155,1036 1.216,1037 0.193,1038 1.203,1039 0.831,1040 0.776,1041 1.086,1042 1.051,1043 0.115,1044 1.067,1045 0.715,1046 0.626,1047 1.008,1048 0.983,1050 1.003,1051 3.892,1052 5.176,1053 2.398,1054 6.645,1055 4.727,1056 8.196,1057 6.823,1058 9.79,1061 5.55,1063 0.351,1064 2.8,1069 24.456,1070 58.537,1071 136.611,1072 173.14,1073 188.75,1074 188.75,1075 188.75,1076 29.678,1077 6.772,1078 96.69,1079 96.69,1080 17,1081 12.08,1082 4.248,1083 3.459,1084 34.761,1085 83,1086 74,1087 0.204,1088 153.689,1089 255.61,1090 366.761,1091 7676,1093 15.364,1094 0.698,1095 0.536,1096 15.364,1097 11.783,1098 10.742,1099 0.448,1100 0.284,1101 6.729,1102 10.364,1103 6.607,1104 5.505,1105 10.742,1106 6.822,1107 9.367,1108 0.293,1109 0.148,1110 9.367,1111 4.728,1112 7.626,1113 0.191,1114 0.078,1115 7.626,1116 3.105,1117 6.206,1118 0.122,1119 0.04,1120 6.206,1121 2.063,1122 4.983,1123 0.082,1124 0.022,1125 4.983,1126 1.339,1127 0.327,1128 67.105,1129 0.248,1130 22.215,1131 0.537,1132 112,1133 333.004,1134 122.513,1135 329.486,1136 451.23,1137 308,1138 128,1139 333.496,1140 138.071,1141 339.705,1142 489.6,1143 320,1144 4.071} {0 CHEMBL70561,1 1.465,2 11.577,3 4.369,4 19.086,5 110.41,6 7.837,7 0.759,8 3.926,9 4.051,10 3.59,11 3.576,12 5.021,13 3.517,14 4.398,15 4.553,16 3.951,17 3.962,18 5.437,19 3.868,20 4.629,21 4.837,22 3.977,23 4.059,24 5.584,25 3.915,26 4.605,27 4.824,28 3.8,29 3.972,30 5.505,31 3.813,32 4.528,33 4.754,34 3.674,35 3.906,36 5.415,37 3.768,38 4.543,39 4.759,40 3.715,41 3.936,42 5.483,43 3.801,44 4.587,45 4.831,46 3.625,47 3.9,48 5.46,49 3.731,50 4.457,51 4.72,52 3.513,53 3.726,54 5.302,55 3.57,56 0.056,57 0.681,58 9.395,59 4.013,60 9.549,61 5.16,62 0.107,63 1.087,64 16.604,65 7.012,66 15.535,67 8.977,68 0.215,69 1.362,70 26.415,71 9.834,72 26.546,73 12.117,74 0.217,75 1.324,76 28.398,77 9.869,78 23.096,79 12.034,80 0.147,81 1.157,82 22.744,83 8.982,84 19.263,85 11.763,86 0.122,87 1.172,88 20.118,89 8.351,90 22.445,91 11.321,92 0.174,93 1.22,94 24.345,95 9.464,96 25.664,97 12.485,98 0.152,99 1.065,100 21.914,101 8.096,102 21.999,103 10.949,104 3,105 39,106 0.248,107 0.545,108 0.68,109 0.828,110 0.873,111 0.884,112 3.304,113 0.969,114 -5.08,115 -4.98,116 -4.66,117 45.7,122 2,125 12,126 1,127 3,129 1,130 1,133 1,134 1,135 1,136 1,138 9,140 1,141 1,142 4,143 13,145 1,146 1,147 1,148 1,149 4,150 1,151 9,154 1,155 1,156 3,157 8,162 1,163 3,164 11,165 2,167 1,170 3,171 15,172 1,174 1,177 1,178 3,179 1,180 9,182 3,184 2,185 6,187 1,190 4,191 6,192 1,193 1014,194 18.179,195 18.179,196 18.179,197 18.179,198 18.179,199 15.567,200 17.155,201 10.984,202 18.537,203 14.319,204 14.319,205 14.319,206 14.319,207 14.319,208 10.405,209 23.456,210 5.216,211 14.98,212 4.058,213 2.305,214 1.508,215 0.633,216 0.364,217 0.304,218 4.008,220 1,221 663,222 2.739,223 60.435,224 232.88,225 105.045,226 1.654,227 11.926,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 54,239 301,240 4.488,241 4.572,242 6.273,243 3.977,244 3.018,245 4.434,246 2.95,247 9.586,248 2.894,249 4.23,250 3.236,251 6.168,252 3.827,253 2.886,254 3.832,255 0.657,256 9.173,257 2.721,258 3.848,259 3.073,260 5.347,261 3.404,262 2.458,263 3.404,264 0.522,265 6.99,266 2.309,267 3.735,268 2.636,269 5.298,270 3.327,271 2.368,272 3.172,274 6.822,275 2.263,276 3.297,277 2.343,278 5.03,279 2.922,280 1.966,281 2.559,283 5.817,284 1.875,285 3.016,286 2.118,287 4.418,288 2.56,289 1.61,290 2.265,292 4.324,293 1.518,294 2.986,295 1.719,296 4.347,297 2.486,298 1.521,299 2.174,301 4.18,302 1.464,303 2.915,304 1.556,305 3.652,306 2.469,307 1.481,308 2.083,309 3.135,310 1.452,311 2.765,312 1.523,313 3.552,314 2.285,315 1.31,316 1.882,317 2.896,318 1.267,319 2.5,320 1,321 3.259,322 2,323 1,324 1.5,325 2.136,326 1,327 2.06,328 0.924,329 3.247,330 1.706,331 0.756,332 0.94,333 1.754,334 0.716,335 1.798,336 0.726,337 3.107,338 1.353,339 0.413,340 0.562,341 1.024,342 0.386,343 1.533,344 0.647,345 2.803,346 1.3,347 0.377,348 0.431,349 0.557,350 0.348,351 1.344,352 0.454,353 2.713,354 0.965,355 0.074,356 0.091,357 0.186,358 0.065,359 0.918,360 0.341,361 2.439,362 0.528,363 -0.419,364 -0.529,365 -1.058,366 -0.392,367 12.933,368 0.497,369 0.444,370 0.017,371 37.25,372 1.433,373 21,374 0.808,375 16.25,376 0.625,377 18.06,378 0.695,379 26.067,380 0.567,381 24.764,382 0.952,383 7.443,384 0.286,385 5.371,386 0.207,387 0.031,389 0.271,391 1.165,392 0.994,393 0.776,394 0.777,395 1.223,396 0.791,397 0.959,398 1.089,399 0.889,400 0.95,401 0.93,402 0.962,403 1.091,404 0.975,405 1.21,406 1.072,407 0.803,408 0.995,409 1.199,410 1.101,411 1.475,412 1.303,413 1.008,414 1.123,415 0.743,416 0.951,417 1.01,418 1.033,419 0.674,420 0.997,421 0.934,422 1.005,423 0.867,424 0.954,425 1.047,426 1.07,427 0.863,428 0.938,429 1.023,430 1.024,431 0.822,432 1.057,433 0.867,434 0.92,435 0.844,436 0.894,437 0.816,438 0.903,439 4.5,440 0.091,441 2,442 1.292,443 1.147,444 0.521,445 0.252,446 0.281,447 0.175,448 0.13,449 8930,450 21786,451 2.172,452 43.5,454 16,456 4,460 1.688,461 2.108,462 3.511,463 1.659,465 1,467 67.407,468 1.465,469 3.218,470 4.015,471 4.891,472 5.159,473 5.219,474 2.917,475 4.239,476 4.673,477 3.637,478 1182.07,479 8.084,480 15133.1,482 1,483 1,484 254.084,485 1.058,486 4.663,487 0.155,488 0.005,489 0.051,490 0.035,491 0.037,492 0.017,493 0.008,494 0.01,495 0.007,496 0.006,497 0.332,499 1,500 0.542,501 128.728,502 -0.139,503 0.089,504 0.049,505 0.118,506 -0.231,507 0.087,508 0.03,509 -0.039,510 0.034,511 0.003,512 -0.062,513 -0.047,514 0.013,515 0.073,516 -0.036,517 0.012,518 0.056,519 -0.025,520 -0.092,521 -0.058,522 -0.215,523 -0.172,524 -0.109,525 -0.136,526 0.059,527 -0.004,528 -0.051,529 -0.044,530 0.095,531 -0.003,532 -0.1,533 -0.056,534 -0.06,535 -0.059,536 -0.125,537 -0.11,538 0.002,539 0.005,540 -0.056,541 -0.04,542 -0.016,543 -0.058,544 0.043,545 0.012,546 0.114,547 0.077,548 0.057,549 0.105,550 1.082,551 1.655,552 0.808,553 23.308,554 0.99,555 1.114,556 3.848,557 14.809,558 0.712,559 3.401,560 3.689,561 3.951,562 4.205,563 4.419,564 4.407,565 4.5,566 4.635,567 4.635,568 4.691,569 6.686,570 0.663,571 360.52,572 3.401,573 4.92,574 5.759,575 6.619,576 7.474,577 8.339,578 9.2,579 10.067,580 10.931,581 11.799,582 8.7,583 1,585 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,597 1,600 46,601 22,602 3,603 29,604 49,605 21,606 19,607 6,608 12,610 4,611 5,612 1,616 19,617 2,625 1,627 20,628 3,629 4,630 5,631 1,632 1,633 4,634 0.75,639 1,640 3,641 1,645 1,648 3,649 1,650 1,653 26,654 1,657 2,658 1,660 1,668 12.333,669 7.95,670 5.806,671 2.593,672 4.28,673 1.57,674 1.047,675 5.137,676 11.782,677 3.714,678 4.334,679 4.934,680 5.531,681 6.055,682 6.227,683 6.592,684 7.002,685 7.094,686 7.386,687 0.875,688 37,689 9.554,690 3.991,691 7.519,692 18.621,693 15.28,694 2.019,695 52.5,698 1,699 188.338,700 165.806,701 84.479,704 32.22,705 133.586,706 188.338,707 84.479,709 37.109,710 113.715,711 37.124,712 27.973,713 2.144,714 220.557,715 188.338,716 218.065,718 32.22,719 188.338,722 58.366,723 124.903,724 34.796,725 32.22,726 188.338,727 84.479,728 165.806,730 188.338,731 52.091,732 113.715,733 34.796,734 49.683,735 188.338,736 84.479,737 165.806,738 0.567,739 0.331,740 0.183,741 0.103,742 19,743 7,744 0.122,745 6,746 1,747 1.095,748 3.979,749 214.205,750 0.095,751 21,752 118.211,753 1,755 17.009,756 7.853,757 4.058,758 1.943,759 67.693,760 25.089,761 4.496,762 3.215,763 5.629,764 67.693,765 438.623,766 40,771 45.552,772 51.235,773 0.265,774 0.583,775 0.727,776 0.885,777 0.934,778 0.945,779 4.909,780 1.481,781 5.707,782 4.18,783 4.369,784 5.021,785 2.986,786 6.463,787 4.277,788 6.105,789 1.31,790 7.222,791 3.135,792 3.761,793 4.691,795 7.209,796 3.596,797 7.397,798 1,799 8.833,800 2.896,801 5.905,802 7.247,803 5.03,804 10.293,805 5.717,806 8.726,807 0.756,808 10.503,809 2.136,810 6.155,811 7.79,813 11.89,814 5.881,815 10.088,816 0.413,817 12.21,818 1.754,819 7.708,820 9.761,821 7.185,822 14.446,823 7.422,824 11.472,825 0.377,826 13.944,827 1.024,828 8.376,829 10.745,831 16.404,832 8.007,833 12.876,834 0.074,835 15.697,836 0.557,837 9.668,838 12.449,839 9.348,840 18.767,841 9.284,842 3.018,843 -0.419,844 17.464,845 0.186,846 10.547,847 13.669,849 20.886,850 10.088,851 2.886,852 9.586,853 19.242,854 -1.058,855 11.72,856 15.247,857 11.511,858 23.174,859 11.239,860 2.458,861 9.173,862 21.028,863 4.434,864 12.704,865 16.592,867 25.363,868 12.158,869 2.368,870 6.99,871 22.822,872 3.832,873 13.826,874 18.111,875 13.675,876 27.624,877 13.25,878 1.966,879 6.822,880 24.621,881 3.404,882 14.862,883 19.521,885 29.844,886 14.229,887 1.61,888 5.817,889 26.425,890 3.172,891 15.962,892 21.016,893 15.838,894 32.094,895 15.294,896 1.521,897 4.324,898 28.233,899 2.559,900 17.024,901 22.46,903 34.328,904 16.304,905 8341,906 13147,907 20.167,908 32.762,909 42.481,910 44.989,911 43.117,912 42.419,913 42.475,914 58.657,915 8.258,916 117.161,917 40.555,918 5.338,919 6.572,920 6.075,921 5.092,922 5.018,923 7.434,924 5.9,925 15.934,926 4.894,927 6.969,928 1.465,929 1.551,930 1.487,931 1.463,932 1.465,933 2.023,934 0.285,935 4.04,936 1.398,937 4.112,938 4.156,939 4.106,940 3.998,941 5.127,942 4.007,943 3.943,944 3.965,945 4.049,946 3.922,947 4.917,948 3.893,949 3.826,950 3.858,951 3.755,952 3.77,953 4.779,954 3.761,955 3.545,956 3.616,957 3.458,958 3.361,959 4.68,960 3.377,961 3.268,962 3.364,963 3.279,964 3.072,965 4.373,966 3.067,967 3.038,968 3.132,969 3.109,970 3.001,971 3.951,972 2.906,973 2.962,974 2.989,975 2.871,976 2.807,977 3.781,978 2.811,979 2.9,980 2.967,981 2.783,982 2.768,983 3.742,984 2.763,985 0.155,986 0.158,987 0.216,988 0.137,989 0.104,990 4.488,991 0.153,992 4.572,993 0.102,994 6.273,995 0.331,996 3.977,997 0.1,998 3.018,999 4.434,1000 2.95,1001 9.586,1002 2.894,1003 1.952,1004 1.929,1005 2.037,1006 2.045,1007 1.2,1008 2.049,1009 1.901,1010 1.877,1011 1.988,1012 1.968,1013 1.105,1014 1.988,1015 1.832,1016 1.804,1017 1.956,1018 1.913,1019 1.038,1020 1.931,1021 1.552,1022 1.478,1023 1.74,1024 1.814,1025 0.834,1026 1.799,1027 1.271,1028 1.198,1029 1.517,1030 1.512,1031 0.669,1032 1.518,1033 0.982,1034 0.949,1035 1.248,1036 1.318,1037 0.277,1038 1.307,1039 0.963,1040 0.884,1041 1.181,1042 1.091,1043 0.26,1044 1.107,1045 0.909,1046 0.855,1047 1.124,1048 1.062,1049 0.218,1050 1.105,1051 4.078,1052 5.371,1053 2.398,1054 6.86,1055 4.727,1056 8.434,1057 6.823,1058 10.05,1061 5.655,1063 1.178,1064 3.508,1066 1.787,1069 30.487,1070 67.407,1071 148.045,1072 184.7,1073 224.964,1074 237.329,1075 240.084,1076 29.446,1077 7.502,1078 66.73,1079 92.03,1080 23,1081 12.344,1082 4.524,1083 3.585,1084 38.148,1085 105,1086 104,1087 0.175,1088 191.67,1089 314.93,1090 459.435,1091 20536,1093 17.769,1094 0.683,1095 0.58,1096 18.123,1097 15.092,1098 12.814,1099 0.442,1100 0.323,1101 8.557,1102 12.108,1103 8.294,1104 6.895,1105 13.222,1106 9.367,1107 11.067,1108 0.284,1109 0.182,1110 11.735,1111 7.111,1112 9.471,1113 0.186,1114 0.103,1115 10.262,1116 5.278,1117 7.847,1118 0.119,1119 0.057,1120 8.668,1121 3.793,1122 6.51,1123 0.079,1124 0.033,1125 7.303,1126 2.703,1127 0.279,1128 82.591,1129 0.223,1130 25.415,1131 0.469,1132 136,1133 322.483,1134 168.201,1135 348.745,1136 494.03,1137 330,1138 158,1139 359.926,1140 186.624,1141 385.943,1142 562.8,1143 366,1144 4.252} {0 CHEMBL70817,1 1.361,2 9.211,3 2.411,4 5.813,5 79.974,6 6.574,7 0.476,8 3.751,9 3.904,10 3.215,11 3.274,12 4.731,13 3.232,14 4.299,15 4.498,16 3.538,17 3.684,18 5.201,19 3.6,20 4.585,21 4.852,22 3.488,23 3.769,24 5.406,25 3.632,26 4.567,27 4.865,28 3.266,29 3.648,30 5.322,31 3.479,32 4.354,33 4.651,34 3.113,35 3.479,36 5.087,37 3.311,38 4.192,39 4.452,40 3.055,41 3.417,42 5.014,43 3.268,44 4.185,45 4.465,46 2.949,47 3.353,48 4.951,49 3.183,50 4.051,51 4.341,52 2.808,53 3.166,54 4.811,55 3.01,56 0.06,57 0.607,58 9.332,59 3.342,60 7.112,61 5.087,62 0.121,63 0.965,64 16.442,65 5.939,66 14.17,67 9.018,68 0.228,69 1.125,70 22.478,71 7.467,72 25.241,73 11.638,74 0.228,75 1.03,76 22.305,77 7.009,78 23.251,79 11.192,80 0.155,81 0.827,82 17.767,83 6.23,84 17.873,85 9.581,86 0.113,87 0.754,88 14.953,89 5.27,90 15.997,91 8.1,92 0.138,93 0.717,94 14.933,95 5.308,96 15.969,97 8.093,98 0.12,99 0.619,100 13.177,101 4.132,102 13.46,103 6.63,104 3,105 28,106 0.245,107 0.645,108 0.837,109 0.887,110 0.896,111 0.896,112 3.009,113 0.989,114 -3.13,115 -3.12,116 -3,117 38.5,119 3,120 1,122 2,124 2,125 3,127 1,129 1,130 1,133 1,134 1,135 1,136 1,138 7,140 1,141 1,142 4,143 7,145 1,146 1,147 1,148 1,149 5,150 1,151 4,154 1,155 1,156 2,157 2,162 1,163 3,164 5,165 2,167 1,170 1,171 6,172 1,174 2,177 1,178 1,179 1,180 4,182 2,184 2,185 1,187 1,190 3,192 1,193 419,194 13.248,195 13.248,196 13.248,197 13.248,198 13.248,199 11.879,200 16.408,201 8.005,202 13.43,203 10.348,204 10.348,205 10.348,206 10.348,207 10.348,208 8.21,209 21.64,210 3.791,211 10.679,212 3.924,213 1.703,214 0.635,215 0.359,216 0.308,217 0.308,218 3.695,219 1,220 1,221 380,222 2.345,223 41.546,224 107.936,225 73.54,226 1.485,227 11.162,229 1,230 1,231 1,232 1,233 0.8,234 0.5,235 1,236 1,237 0.9,238 40,239 175,240 4.488,241 3.076,242 6.272,243 3.976,244 3.017,245 4.434,246 0.522,247 9.585,248 2.893,249 3.763,250 2.704,251 5.407,252 3.539,253 2.556,254 3.179,255 0.4,256 7.159,257 2.518,258 3.558,259 2.52,260 5.254,261 3.312,262 2.346,263 2.64,265 6.726,266 2.256,267 3.29,268 2.186,269 5.022,270 2.914,271 1.956,272 2.538,274 5.798,275 1.87,276 3.015,277 1.775,278 4.413,279 2.493,280 1.522,281 2.264,283 4.301,284 1.485,285 2.905,286 1.524,287 3.639,288 2.479,289 1.489,290 1.883,292 3.146,293 1.463,294 2.077,295 1.348,296 3.247,297 2,298 1,299 1.04,301 2.136,302 1,303 2.008,304 0.936,305 3.225,306 1.68,307 0.733,308 0.877,309 1.704,310 0.692,311 1.685,312 0.66,313 3.069,314 1.317,315 0.386,316 0.489,317 0.941,318 0.356,319 1.524,320 0.414,321 2.715,322 1.3,323 0.365,324 0.428,325 0.551,326 0.344,327 0.855,328 -0.251,329 2.416,330 0.55,331 -0.421,332 -0.485,333 -1.064,334 -0.408,335 0.611,336 -0.585,337 2.159,338 0.21,339 -0.767,340 -0.931,341 -1.843,342 -0.747,343 0.443,344 -0.778,345 1.728,346 0.05,347 -0.918,348 -1.151,349 -2.347,350 -0.885,351 0.179,352 -0.859,353 1.585,355 -1,356 -1.223,357 -2.464,358 -1,359 0.064,360 -1.005,361 1.555,362 -0.279,363 -1.241,364 -1.538,365 -3.362,366 -1.193,367 9.1,368 0.479,369 0.324,370 0.017,371 21.75,372 1.145,373 9.5,374 0.5,375 12.25,376 0.645,377 14.892,378 0.784,379 20.9,380 0.536,381 12.53,382 0.659,383 4.067,384 0.214,385 5.281,386 0.278,387 0.044,389 0.275,391 1.204,392 1.275,393 0.953,394 1.037,395 1.211,396 0.979,397 0.902,398 1.303,399 1.004,400 1.192,401 0.839,402 1.123,403 0.969,404 1.031,405 1.017,406 1.04,407 0.701,408 1.035,409 1.102,410 0.945,411 1.031,412 0.963,413 0.917,414 0.985,415 0.686,416 0.895,417 0.854,418 0.931,419 0.651,420 0.914,421 0.985,422 1.077,423 1.094,424 1.122,425 1.171,426 1.12,427 0.807,428 0.947,429 1.029,430 1.059,431 0.851,432 1.066,433 1.172,434 0.982,435 1.03,436 0.958,437 1.098,438 0.975,439 3.5,440 0.025,441 1.333,442 0.917,443 0.764,444 0.341,445 0.193,446 0.142,447 0.116,448 0.065,449 3660,450 7425,451 2.145,452 51.3,453 6,454 9,456 4,458 1,460 1.596,461 2.073,462 3.207,463 1.935,465 1,466 1,467 53.089,468 1.361,469 3.582,470 4.651,471 4.926,472 4.978,473 4.978,474 2.721,475 3.722,476 4.219,477 3.311,478 566.198,479 7.154,480 5644.47,481 1,482 1,483 1,484 206.131,485 1.105,486 4.207,487 0.167,488 0.004,489 0.048,490 0.037,491 0.04,492 0.02,493 0.012,494 0.01,495 0.01,496 0.007,497 0.354,498 0.33,499 1,500 0.671,501 83.595,502 -0.127,503 0.002,504 0.035,505 0.072,506 -0.135,507 0.071,508 0.054,509 -0.153,510 -0.032,511 -0.123,512 0.034,513 -0.092,514 0.055,515 -0.023,516 -0.039,517 -0.062,518 0.125,519 -0.06,520 -0.047,521 -0.002,522 -0.049,523 -0.025,524 -0.036,525 -0.035,526 0.121,527 0.014,528 0.104,529 0.052,530 0.112,531 0.072,532 -0.119,533 -0.072,534 -0.135,535 -0.108,536 -0.167,537 -0.121,538 0.03,539 0.009,540 -0.071,541 -0.063,542 -0.037,543 -0.076,544 -0.125,545 -0.028,546 -0.048,547 -0.012,548 -0.129,549 -0.02,550 1.05,551 1.592,552 0.789,553 14.371,554 0.987,555 1.136,556 1.897,557 3.597,558 0.644,559 3.091,560 3.367,561 3.611,562 3.85,563 4.043,564 4.007,565 4.078,566 4.19,567 4.111,568 4.094,569 5.382,570 0.597,571 256.39,572 3.091,573 4.595,574 5.425,575 6.279,576 7.127,577 7.987,578 8.843,579 9.707,580 10.568,581 11.435,582 10.3,583 1,585 1,587 1,588 1,589 2,590 3,591 1,592 1,593 2,594 10,597 1,600 39,601 11,602 1,603 21,604 41,605 15,606 7,607 3,608 3,610 3,611 4,612 1,613 3,614 1,615 3,616 9,617 6,618 1,619 1,622 2,625 1,627 20,628 3,629 4,630 4,632 1,633 4,634 0.667,639 1,640 2,641 1,644 2,645 1,648 2,653 19,654 1,657 5,658 1,661 1,668 9.167,669 6.533,670 4.278,671 2.406,672 2.281,673 1.347,674 1.012,675 3.736,676 8.86,677 3.332,678 3.897,679 4.47,680 5.075,681 5.571,682 5.843,683 6.188,684 6.539,685 6.29,686 6.328,687 1,688 25,689 7.022,690 2.933,691 7.474,692 13.925,693 11.655,694 1.974,695 37.5,696 0.002,699 188.338,700 68.569,701 84.479,705 68.569,706 188.338,707 84.479,709 44.712,710 47.381,711 37.124,712 21.686,713 2.144,714 188.338,715 188.338,716 153.048,719 176.567,720 11.771,722 65.97,723 33.33,724 53.749,726 188.338,727 84.479,728 68.569,730 188.338,731 21.188,732 47.381,733 34.796,734 49.683,735 188.338,736 84.479,737 68.569,738 0.565,739 0.327,740 0.176,741 0.099,742 14,743 5,744 0.098,745 4,746 1,747 1.133,748 3.316,749 134.744,750 0.133,751 15,752 80.711,755 12.548,756 5.657,757 2.923,758 2.028,759 67.693,760 6.244,761 4.455,762 3.205,763 1.974,764 67.693,765 341.386,766 27,769 4.57,771 38.476,772 44.315,773 0.258,774 0.678,775 0.88,776 0.932,777 0.942,778 0.942,779 4.538,780 0.733,781 5.371,782 2.136,783 4.043,784 4.58,785 0.623,786 6.111,787 3.979,788 5.71,789 0.386,790 6.876,791 1.704,792 3.434,793 4.311,795 6.823,796 3.334,797 6.993,798 0.365,799 8.476,800 0.941,801 5.565,802 6.776,803 0.182,804 9.892,805 5.433,806 8.314,807 -0.421,808 10.132,809 0.551,810 5.802,811 7.429,813 11.454,814 5.62,815 9.67,816 -0.767,817 11.825,818 -1.064,819 7.351,820 9.328,821 0.047,822 14.001,823 7.147,824 11.052,825 -0.918,826 13.542,827 -1.843,828 8.005,829 10.432,831 15.942,832 7.744,833 12.455,834 -1,835 15.279,836 -2.347,837 9.296,838 12.095,839 0.012,840 18.303,841 9.013,842 3.017,843 -1.241,844 17.031,845 -2.464,846 10.167,847 13.413,849 20.42,850 9.826,851 2.556,852 9.585,853 18.795,854 -3.362,855 11.341,856 14.975,857 0.003,858 22.713,859 10.974,860 2.346,861 7.159,862 20.569,863 4.434,864 12.324,865 16.39,867 24.909,868 11.9,869 1.956,870 6.726,871 22.352,872 3.179,873 13.448,874 17.91,875 0.001,876 27.179,877 12.992,878 1.522,879 5.798,880 24.142,881 2.64,882 14.487,883 19.366,885 29.41,886 13.978,887 1.489,888 4.301,889 25.938,890 2.538,891 15.592,892 20.868,894 31.672,895 15.045,896 1,897 3.146,898 27.74,899 2.264,900 16.66,901 22.343,903 33.919,904 16.063,905 3516,906 5102,907 14.504,908 25.114,909 30.908,910 31.197,911 31.193,912 30.684,913 30.741,914 39.545,915 1.843,916 84.094,917 29.751,918 5.387,919 5.076,920 6.074,921 5.013,922 5.017,923 7.434,924 1.043,925 15.929,926 4.893,927 5.529,928 1.472,929 1.486,930 1.485,931 1.461,932 1.464,933 1.883,934 0.088,935 4.004,936 1.417,937 4.11,938 4.155,939 4.073,940 3.986,941 5.126,942 4.001,943 3.879,944 3.932,945 3.757,946 3.781,947 4.916,948 3.768,949 3.55,950 3.622,951 3.455,952 3.365,953 4.492,954 3.38,955 3.306,956 3.395,957 3.144,958 3.132,959 4.357,960 3.122,961 3.077,962 3.175,963 2.91,964 2.878,965 3.952,966 2.858,967 3.039,968 3.132,969 2.806,970 2.835,971 3.777,972 2.833,973 2.915,974 2.984,975 2.789,976 2.775,977 3.499,978 2.77,979 2.708,980 2.823,981 2.477,982 2.443,983 3.357,984 2.431,985 0.214,986 0.146,987 0.299,988 0.189,989 0.144,990 4.488,991 0.211,992 3.076,993 0.025,994 6.272,995 0.456,996 3.976,997 0.138,998 3.017,999 4.434,1000 0.522,1001 9.585,1002 2.893,1003 1.936,1004 1.902,1005 2.095,1006 2.057,1007 1.432,1008 2.068,1009 1.865,1010 1.823,1011 1.991,1012 1.979,1013 1.119,1014 1.991,1015 1.553,1016 1.478,1017 1.741,1018 1.816,1019 0.847,1020 1.799,1021 1.33,1022 1.259,1023 1.587,1024 1.553,1025 0.819,1026 1.567,1027 1.081,1028 0.995,1029 1.433,1030 1.332,1031 0.662,1032 1.35,1033 1.005,1034 0.921,1035 1.271,1036 1.298,1037 0.372,1038 1.323,1039 0.936,1040 0.869,1041 1.166,1042 1.15,1043 0.233,1044 1.159,1045 0.736,1046 0.62,1047 1.091,1048 1.021,1049 0.171,1050 1.056,1051 3.761,1052 5.043,1053 2.398,1054 6.521,1055 4.727,1056 8.082,1057 6.823,1058 9.687,1061 5.592,1063 5.168,1064 3.515,1067 0.75,1069 23.3,1070 53.089,1071 139.712,1072 181.376,1073 192.131,1074 194.131,1075 194.131,1076 21.888,1077 6.579,1078 66.73,1079 66.73,1080 17,1081 11.982,1082 3.585,1083 2.807,1084 28.027,1085 61,1086 56,1087 0.227,1088 145.016,1089 239.98,1090 345.598,1091 5762,1093 13.079,1094 0.688,1095 0.58,1096 13.079,1097 11.024,1098 9.348,1099 0.445,1100 0.33,1101 6.86,1102 9.113,1103 6.729,1104 5.59,1105 9.348,1106 6.925,1107 8.026,1108 0.287,1109 0.184,1110 8.026,1111 5.151,1112 6.806,1113 0.189,1114 0.103,1115 6.806,1116 3.698,1117 5.518,1118 0.12,1119 0.056,1120 5.518,1121 2.569,1122 4.508,1123 0.081,1124 0.032,1125 4.508,1126 1.798,1127 0.357,1128 57.71,1129 0.263,1130 19.317,1131 0.611,1132 98,1133 213.623,1134 104.578,1135 215.372,1136 305.26,1137 204,1138 113,1139 233.183,1140 119.911,1141 238.048,1142 347.3,1143 226,1144 4.036} {0 CHEMBL70885,1 1.447,2 13.815,3 3.817,4 14.573,5 108.801,6 7.316,7 0.733,8 3.991,9 4.118,10 3.548,11 3.558,12 5.087,13 3.534,14 4.48,15 4.641,16 3.865,17 3.924,18 5.531,19 3.876,20 4.704,21 4.915,22 3.842,23 3.994,24 5.692,25 3.908,26 4.722,27 4.966,28 3.644,29 3.904,30 5.618,31 3.784,32 4.598,33 4.857,34 3.554,35 3.821,36 5.445,37 3.693,38 4.487,39 4.71,40 3.544,41 3.803,42 5.438,43 3.691,44 4.475,45 4.71,46 3.456,47 3.767,48 5.376,49 3.634,50 4.427,51 4.698,52 3.34,53 3.611,54 5.268,55 3.48,56 0.053,57 0.721,58 10.163,59 4.206,60 9.737,61 5.614,62 0.137,63 1.129,64 17.729,65 7.063,66 19.108,67 9.481,68 0.236,69 1.349,70 23.835,71 8.836,72 32.656,73 12.203,74 0.276,75 1.312,76 25.535,77 9.028,78 32.792,79 12.642,80 0.195,81 1.138,82 22.673,83 8.729,84 24.902,85 12.368,86 0.215,87 1.054,88 19.405,89 7.548,90 25.581,91 10.52,92 0.15,93 1.044,94 19.169,95 7.703,96 23.087,97 10.854,98 0.147,99 0.967,100 19.243,101 7.016,102 22.558,103 10.184,104 3,105 40,106 0.242,107 0.552,108 0.701,109 0.834,110 0.857,111 0.857,112 3.339,113 0.898,114 -4.24,115 -4.18,116 -3.95,117 44.9,122 3,125 12,126 2,127 2,129 1,130 1,133 1,134 1,135 1,136 1,138 11,140 4,141 1,142 4,143 11,145 5,146 1,147 1,148 1,149 5,150 1,151 6,154 4,155 1,156 2,157 4,160 1,162 1,163 2,164 11,165 2,167 1,168 1,170 1,171 15,172 1,174 2,177 1,178 1,179 1,180 10,182 4,184 3,185 4,187 1,190 5,191 1,192 1,193 1176,194 18.834,195 18.834,196 18.834,197 18.834,198 18.834,199 16.25,200 22.476,201 11.351,202 19.135,203 14.798,204 14.798,205 14.798,206 14.798,207 14.798,208 10.878,209 32.383,210 5.407,211 15.327,212 4.168,213 2.317,214 1.424,215 0.628,216 0.49,217 0.49,218 4.044,219 1,220 1,221 821,222 2.915,223 71.158,224 273.543,225 124.403,226 2.28,227 14.945,229 1,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 57,239 373,240 4.488,241 3.079,242 6.272,243 3.976,244 3.017,245 4.434,246 1.151,247 9.585,248 2.893,249 4.05,250 3.009,251 5.519,252 3.652,253 2.682,254 3.642,255 0.657,256 7.466,257 2.604,258 3.89,259 2.786,260 5.364,261 3.502,262 2.515,263 3.44,264 0.522,265 7.039,266 2.486,267 3.745,268 2.589,269 5.298,270 3.35,271 2.393,272 3.177,274 6.855,275 2.281,276 3.471,277 2.44,278 5.1,279 3.109,280 2.151,281 2.762,283 6.267,284 2.047,285 3.282,286 2.151,287 5.01,288 2.898,289 1.938,290 2.547,292 5.784,293 1.855,294 3.014,295 1.648,296 4.412,297 2.487,298 1.52,299 2.263,301 4.3,302 1.48,303 2.917,304 1.524,305 3.64,306 2.484,307 1.496,308 2.086,309 3.151,310 1.464,311 2.5,312 1.182,313 3.414,314 2,315 1,316 1.5,317 2.275,318 1,319 2.5,320 1,321 3.321,322 2,323 1,324 1.5,325 2.136,326 1,327 2.094,328 1,329 3.247,330 1.797,331 0.866,332 1.014,333 1.998,334 0.801,335 1.916,336 0.918,337 3.156,338 1.537,339 0.622,340 0.765,341 1.461,342 0.564,343 1.708,344 0.667,345 3.042,346 1.317,347 0.388,348 0.502,349 0.952,350 0.357,351 1.528,352 0.445,353 2.72,354 1.3,355 0.369,356 0.429,357 0.552,358 0.345,359 1.075,360 0.089,361 2.493,362 0.737,363 -0.222,364 -0.272,365 -0.539,366 -0.211,367 12.933,368 0.479,369 0.461,370 0.017,371 38.25,372 1.417,373 21,374 0.778,375 17.25,376 0.639,377 17.85,378 0.661,379 27.867,380 0.569,381 26.026,382 0.964,383 7.854,384 0.291,385 5.443,386 0.202,387 0.031,389 0.271,391 1.055,392 1.122,393 0.833,394 0.939,395 1.161,396 0.866,397 1.174,398 1.169,399 0.963,400 1.065,401 1.003,402 1.006,403 1.188,404 1.076,405 1.074,406 1.093,407 0.901,408 1.075,409 1.353,410 1.007,411 1.147,412 1.048,413 1.156,414 1.073,415 0.811,416 0.864,417 0.868,418 0.915,419 0.707,420 0.906,421 0.972,422 0.932,423 1.054,424 0.986,425 1.095,426 1.028,427 0.709,428 1.003,429 1.053,430 1.111,431 0.816,432 1.121,433 0.81,434 0.936,435 0.894,436 0.931,437 0.784,438 0.917,439 5,440 0.087,441 2,442 0.917,443 1.147,444 0.577,445 0.232,446 0.285,447 0.213,448 0.085,449 11221,450 26689,451 2.165,452 44.9,454 18,456 4,460 1.691,461 2.104,462 3.736,463 1.624,465 1,467 70.906,468 1.447,469 3.297,470 4.191,471 4.987,472 5.125,473 5.125,474 3.254,475 4.385,476 4.725,477 3.911,478 1372.77,479 8.149,480 19092.3,482 1,483 1,484 275.121,485 1.038,486 4.719,487 0.167,488 0.005,489 0.05,490 0.025,491 0.04,492 0.021,493 0.008,494 0.011,495 0.01,496 0.004,497 0.341,499 1,500 0.528,501 138.671,502 -0.093,503 0.021,504 0.037,505 0.049,506 -0.199,507 0.061,508 -0.049,509 -0.093,510 -0.046,511 -0.082,512 -0.062,513 -0.069,514 -0.032,515 -0.052,516 -0.107,517 -0.128,518 0.034,519 -0.126,520 -0.13,521 -0.032,522 -0.142,523 -0.086,524 -0.15,525 -0.112,526 0.054,527 0.058,528 0.122,529 0.09,530 0.121,531 0.108,532 -0.033,533 0.048,534 -0.097,535 0.012,536 -0.113,537 -0.042,538 0.001,539 -0.038,540 -0.107,541 -0.105,542 -0.04,543 -0.118,544 0.01,545 0.007,546 0.104,547 0.052,548 0.069,549 0.086,550 1.087,551 2.329,552 0.778,553 30.914,554 0.994,555 1.121,556 3.011,557 9.068,558 0.68,559 3.434,560 3.714,561 3.951,562 4.174,563 4.394,564 4.369,565 4.443,566 4.585,567 4.595,568 4.625,569 7.941,570 0.644,571 358.48,572 3.434,573 4.949,574 5.778,575 6.627,576 7.47,577 8.323,578 9.173,579 10.029,580 10.883,581 11.741,582 8.2,583 1,585 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,597 1,598 1,600 49,601 22,602 3,603 30,604 52,605 22,606 19,607 6,608 12,610 4,611 5,612 1,616 19,617 3,625 1,627 22,628 4,629 4,630 5,632 1,633 4,634 0.75,635 1,639 1,640 3,641 1,645 1,648 3,653 27,654 1,657 3,658 1,659 1,664 2,667 1,668 12.833,669 8.45,670 6.028,671 2.753,672 3.991,673 1.528,674 1.032,675 5.375,676 11.547,677 3.738,678 4.347,679 4.93,680 5.507,681 6.032,682 6.179,683 6.505,684 6.902,685 6.992,686 7.278,687 1,688 37,689 9.923,690 4.13,691 7.562,692 19.234,693 15.614,694 2.062,695 55.667,697 1,698 1,699 211.88,700 143.506,701 84.479,702 11,705 143.506,706 222.88,707 84.479,709 41.701,710 113.715,711 37.124,712 44.301,713 2.144,714 211.88,715 211.88,716 227.985,717 11,719 211.88,720 11,722 62.959,723 130.23,724 34.796,726 211.88,727 95.479,728 143.506,730 211.88,731 29.791,732 113.715,733 34.796,734 60.683,735 211.88,736 95.479,737 143.506,738 0.568,739 0.326,740 0.172,741 0.098,742 19,743 7,744 0.135,745 7,746 1,747 1.095,748 4.202,749 216.629,750 0.095,751 21,752 117.627,755 17.588,756 8.251,757 4.48,758 1.922,759 78.693,760 24.414,761 4.467,762 3.198,763 5.048,764 67.693,765 450.865,766 41,771 48.687,772 54.939,773 0.258,774 0.587,775 0.746,776 0.888,777 0.913,778 0.913,779 4.931,780 1.496,781 5.72,782 4.3,783 4.394,784 5.034,785 1.621,786 6.447,787 4.325,788 6.121,789 1,790 7.219,791 3.151,792 3.761,793 4.691,795 7.125,796 3.66,797 7.406,798 1,799 8.808,800 2.275,801 5.911,802 7.245,803 1.615,804 10.171,805 5.773,806 8.727,807 0.866,808 10.451,809 2.136,810 6.111,811 7.762,813 11.683,814 5.929,815 10.079,816 0.622,817 12.128,818 1.998,819 7.671,820 9.736,821 1.766,822 14.206,823 7.464,824 11.452,825 0.388,826 13.83,827 1.461,828 8.281,829 10.694,831 16.1,832 8.023,833 12.843,834 0.369,835 15.549,836 0.952,837 9.576,838 12.405,839 1.979,840 18.438,841 9.295,842 3.017,843 -0.222,844 17.282,845 0.552,846 10.406,847 13.609,849 20.522,850 10.072,851 2.682,852 9.585,853 19.027,854 -0.539,855 11.578,856 15.192,857 2.217,858 22.797,859 11.217,860 2.515,861 7.466,862 20.782,863 4.434,864 12.527,865 16.53,867 24.973,868 12.113,869 2.393,870 7.039,871 22.546,872 3.642,873 13.643,874 18.054,875 2.469,876 27.23,877 13.198,878 2.151,879 6.855,880 24.318,881 3.44,882 14.656,883 19.464,885 29.449,886 14.16,887 1.938,888 6.267,889 26.098,890 3.177,891 15.75,892 20.963,893 2.728,894 31.702,895 15.219,896 1.52,897 5.784,898 27.884,899 2.762,900 16.799,901 22.41,903 33.942,904 16.218,905 10421,906 16187,907 20.86,908 33.33,909 43.938,910 44.247,911 44.363,912 43.842,913 43.914,914 60.122,915 4.659,916 119.641,917 42.353,918 5.332,919 5.079,920 6.074,921 5.036,922 5.017,923 7.434,924 2.302,925 15.929,926 4.893,927 7.252,928 1.465,929 1.475,930 1.479,931 1.461,932 1.464,933 2.004,934 0.155,935 3.988,936 1.412,937 4.112,938 4.157,939 4.075,940 3.99,941 5.128,942 4.005,943 3.948,944 3.974,945 3.884,946 3.871,947 4.919,948 3.87,949 3.866,950 3.898,951 3.794,952 3.81,953 4.873,954 3.803,955 3.549,956 3.618,957 3.46,958 3.361,959 4.718,960 3.379,961 3.313,962 3.384,963 3.186,964 3.114,965 4.41,966 3.123,967 3.171,968 3.245,969 3.017,970 2.974,971 4.248,972 2.97,973 3.01,974 3.101,975 2.85,976 2.8,977 3.915,978 2.803,979 2.896,980 2.963,981 2.779,982 2.764,983 3.726,984 2.759,985 0.15,986 0.103,987 0.209,988 0.133,989 0.101,990 4.488,991 0.148,992 3.079,993 0.038,994 6.272,995 0.32,996 3.976,997 0.096,998 3.017,999 4.434,1000 1.151,1001 9.585,1002 2.893,1003 1.945,1004 1.918,1005 2.053,1006 2.053,1007 1.182,1008 2.054,1009 1.908,1010 1.881,1011 2.023,1012 2.003,1013 1.132,1014 2.011,1015 1.863,1016 1.837,1017 1.968,1018 1.944,1019 1.085,1020 1.956,1021 1.552,1022 1.478,1023 1.74,1024 1.815,1025 0.834,1026 1.799,1027 1.291,1028 1.236,1029 1.519,1030 1.538,1031 0.676,1032 1.534,1033 1.143,1034 1.079,1035 1.414,1036 1.381,1037 0.582,1038 1.391,1039 0.972,1040 0.88,1041 1.242,1042 1.303,1043 0.257,1044 1.297,1045 0.898,1046 0.845,1047 1.181,1048 1.082,1049 0.218,1050 1.107,1051 4.111,1052 5.398,1053 2.398,1054 6.874,1055 4.727,1056 8.43,1057 6.823,1058 10.026,1061 5.634,1063 1.724,1064 3.432,1065 5.829,1069 31.542,1070 70.906,1071 161.572,1072 205.346,1073 244.366,1074 251.121,1075 251.121,1076 32.042,1077 7.556,1078 75.96,1079 75.96,1080 23,1081 12.293,1082 4.524,1083 3.585,1084 40.692,1085 130,1086 117,1087 0.149,1088 194.128,1089 322.51,1090 465.432,1091 22556,1093 18.476,1094 0.684,1095 0.555,1096 18.476,1097 14.982,1098 13.297,1099 0.443,1100 0.299,1101 8.883,1102 12.932,1103 8.693,1104 7.229,1105 13.297,1106 8.983,1107 11.49,1108 0.287,1109 0.16,1110 11.49,1111 6.391,1112 9.755,1113 0.191,1114 0.086,1115 9.755,1116 4.394,1117 7.798,1118 0.122,1119 0.046,1120 7.798,1121 2.914,1122 6.508,1123 0.081,1124 0.025,1125 6.508,1126 2.004,1127 0.246,1128 82.315,1129 0.219,1130 26.917,1131 0.379,1132 140,1133 355.359,1134 150.121,1135 352.671,1136 495.79,1137 334,1138 161,1139 373.638,1140 171.565,1141 382.28,1142 554.75,1143 361,1144 4.292} {0 CHEMBL71110,1 1.479,2 12.259,3 4.107,4 16.867,5 107.144,6 7.489,7 0.733,8 3.976,9 4.089,10 3.55,11 3.544,12 5.094,13 3.527,14 4.465,15 4.612,16 3.867,17 3.907,18 5.546,19 3.868,20 4.683,21 4.883,22 3.872,23 3.978,24 5.714,25 3.905,26 4.718,27 4.941,28 3.713,29 3.901,30 5.668,31 3.803,32 4.613,33 4.849,34 3.63,35 3.848,36 5.516,37 3.741,38 4.585,39 4.812,40 3.668,41 3.873,42 5.545,43 3.778,44 4.564,45 4.776,46 3.653,47 3.883,48 5.532,49 3.777,50 4.576,51 4.815,52 3.548,53 3.813,54 5.49,55 3.687,56 0.042,57 0.675,58 9.626,59 4.268,60 9.507,61 5.397,62 0.137,63 1.075,64 16.982,65 7.012,66 19.512,67 8.977,68 0.255,69 1.299,70 22.85,71 8.579,72 33.721,73 11.653,74 0.34,75 1.274,76 25.237,77 9.134,78 35.268,79 12.159,80 0.218,81 1.15,82 22.672,83 8.758,84 27.886,85 11.94,86 0.19,87 1.133,88 21.614,89 8.382,90 28.417,91 11.403,92 0.197,93 1.124,94 20.528,95 8.335,96 27.246,97 11.338,98 0.198,99 1.125,100 21.59,101 8.425,102 28.812,103 11.776,104 3,105 40,106 0.248,107 0.562,108 0.695,109 0.836,110 0.879,111 0.889,112 3.339,113 0.89,114 -4.24,115 -4.18,116 -3.95,117 45.8,122 3,125 12,126 2,127 2,129 1,130 1,133 1,138 11,140 4,141 1,142 4,143 11,145 5,147 1,148 1,149 4,151 6,154 4,155 2,156 2,157 4,160 1,162 1,163 3,164 9,167 3,170 2,171 14,174 2,177 1,178 3,180 12,181 1,182 2,184 3,185 7,187 1,189 1,190 4,191 6,193 1192,194 18.886,195 18.886,196 18.886,197 18.886,198 18.886,199 16.274,200 20.488,201 11.429,202 19.192,203 14.803,204 14.803,205 14.803,206 14.803,207 14.803,208 10.862,209 28.83,210 5.416,211 15.345,212 4.106,213 2.241,214 1.446,215 0.607,216 0.349,217 0.292,218 4.044,220 1,221 727,222 2.915,223 63.904,224 249.917,225 111.018,226 1.844,227 17.568,229 1,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 57.5,239 331,240 4.488,241 3.186,242 6.273,243 3.976,244 3.018,245 4.434,246 1.151,247 9.586,248 2.893,249 4.203,250 3.078,251 6.141,252 3.819,253 2.855,254 3.806,255 0.765,256 9.046,257 2.753,258 3.888,259 2.765,260 5.341,261 3.495,262 2.503,263 3.44,264 0.657,265 6.972,266 2.482,267 3.739,268 2.599,269 5.319,270 3.341,271 2.388,272 3.173,274 6.912,275 2.271,276 3.297,277 2.258,278 5.031,279 2.919,280 1.969,281 2.559,283 5.821,284 1.865,285 3.016,286 2.01,287 4.434,288 2.607,289 1.656,290 2.265,292 4.405,293 1.569,294 2.988,295 1.621,296 4.395,297 2.491,298 1.522,299 2.16,301 4.272,302 1.484,303 2.915,304 1.525,305 3.667,306 2.479,307 1.491,308 2.084,309 3.179,310 1.462,311 2.854,312 1.498,313 3.598,314 2.402,315 1.414,316 1.997,317 3.018,318 1.391,319 2.5,320 1.001,321 3.259,322 2,323 1,324 1.5,325 2.136,326 1,327 2.071,328 1,329 3.247,330 1.72,331 0.769,332 0.959,333 1.775,334 0.729,335 1.903,336 0.958,337 3.114,338 1.529,339 0.615,340 0.754,341 1.422,342 0.556,343 1.709,344 0.853,345 3.059,346 1.315,347 0.388,348 0.503,349 0.947,350 0.351,351 1.528,352 0.442,353 2.72,354 1.246,355 0.368,356 0.429,357 0.552,358 0.327,359 1.06,360 0.089,361 2.489,362 0.73,363 -0.227,364 -0.277,365 -0.559,366 -0.215,367 12.867,368 0.477,369 0.444,370 0.016,371 38.25,372 1.417,373 21,374 0.778,375 17.25,376 0.639,377 18.157,378 0.672,379 27.933,380 0.582,381 26.674,382 0.988,383 7.91,384 0.293,385 5.404,386 0.2,387 0.026,389 0.272,391 0.993,392 1.132,393 0.808,394 0.952,395 1.001,396 0.867,397 1.134,398 1.183,399 0.972,400 1.056,401 1.003,402 1.007,403 0.937,404 1.127,405 1.027,406 1.089,407 0.664,408 1.065,409 1.313,410 1.001,411 1.139,412 1.042,413 0.989,414 1.067,415 0.933,416 0.907,417 0.942,418 0.951,419 0.682,420 0.952,421 0.948,422 0.872,423 0.941,424 0.904,425 0.961,426 0.915,427 0.781,428 1.028,429 1.027,430 1.065,431 0.704,432 1.08,433 0.686,434 1.06,435 0.991,436 1.072,437 0.712,438 1.074,439 4.5,440 0.078,441 2.222,442 1.167,443 0.987,444 0.688,445 0.276,446 0.198,447 0.232,448 0.141,449 10141,450 25627,451 2.165,452 43.8,454 18,456 3,460 1.698,461 2.104,462 3.58,463 0.872,465 1,467 70.977,468 1.479,469 3.344,470 4.139,471 4.978,472 5.236,473 5.293,474 3.056,475 4.31,476 4.726,477 3.728,478 1308.7,479 8.189,480 17483.4,482 1,483 1,484 268.078,485 1.038,486 4.719,487 0.15,488 0.004,489 0.056,490 0.031,491 0.032,492 0.023,493 0.009,494 0.006,495 0.009,496 0.006,497 0.325,498 0.17,499 1,500 0.528,501 136.187,502 -0.091,503 -0.024,504 0.032,505 0.036,506 -0.151,507 0.05,508 -0.087,509 -0.116,510 -0.075,511 -0.082,512 -0.119,513 -0.083,514 0.056,515 -0.084,516 -0.076,517 -0.134,518 0.08,519 -0.123,520 -0.069,521 -0.024,522 -0.13,523 -0.08,524 -0.082,525 -0.11,526 -0.016,527 0.044,528 0.044,529 0.041,530 0.053,531 0.047,532 -0.076,533 0.103,534 0.026,535 0.087,536 -0.032,537 0.078,538 0.005,539 -0.047,540 -0.089,541 -0.067,542 -0.011,543 -0.089,544 0.056,545 -0.096,546 -0.025,547 -0.082,548 -0.007,549 -0.069,550 1.594,551 3.2,552 0.778,553 26.165,554 0.998,555 1.118,556 3.011,557 9.068,558 0.683,559 3.434,560 3.714,561 3.97,562 4.205,563 4.407,564 4.394,565 4.489,566 4.615,567 4.644,568 4.71,569 7.081,570 0.651,571 359.46,572 3.434,573 4.949,574 5.784,575 6.637,576 7.487,577 8.346,578 9.202,579 10.063,580 10.923,581 11.786,582 6.3,585 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,597 1,598 1,600 48,601 22,602 3,603 30,604 51,605 22,606 19,607 6,608 12,610 4,611 5,612 1,616 19,617 3,625 1,627 21,628 4,629 3,630 5,632 1,633 3,634 0.75,635 2,636 1,639 1,640 3,641 1,647 1,648 3,653 27,656 1,657 3,658 1,659 1,664 4.2,665 1,667 1,668 12.833,669 8.317,670 6.056,671 2.693,672 4.248,673 1.562,674 1,675 5.375,676 11.803,677 3.738,678 4.347,679 4.941,680 5.519,681 6.027,682 6.176,683 6.522,684 6.911,685 7.011,686 7.321,687 1,688 38,689 9.935,690 4.157,691 7.636,692 19.142,693 15.543,694 2.136,695 57.667,698 1,699 211.88,700 141.401,701 51.582,702 53.683,705 141.401,706 265.563,707 51.582,709 6.698,710 156.398,711 37.124,712 44.301,713 2.144,714 211.88,715 211.88,716 192.982,717 53.683,719 211.88,720 11,721 42.683,722 27.956,723 130.23,724 34.796,726 211.88,727 105.265,728 141.401,730 211.88,731 27.686,732 113.715,733 34.796,734 70.469,735 211.88,736 105.265,737 141.401,738 0.566,739 0.33,740 0.179,741 0.098,742 19,743 7,744 0.137,745 7,746 1,747 1.095,748 4.103,749 222.321,750 0.095,751 21,752 124.382,755 17.588,756 8.251,757 4.3,758 1.744,759 88.48,760 24.109,761 4.357,762 3.079,763 4.644,764 77.48,765 458.545,766 41,771 47.912,772 53.651,773 0.265,774 0.599,775 0.741,776 0.891,777 0.938,778 0.948,779 4.931,780 1.491,781 5.727,782 4.272,783 4.394,784 5.034,785 1.737,786 6.472,787 4.322,788 6.121,789 1.414,790 7.236,791 3.179,792 3.761,793 4.691,795 7.209,796 3.66,797 7.408,798 1,799 8.843,800 3.018,801 5.922,802 7.251,803 1.717,804 10.282,805 5.779,806 8.734,807 0.769,808 10.508,809 2.136,810 6.155,811 7.79,813 11.877,814 5.968,815 10.093,816 0.615,817 12.212,818 1.775,819 7.715,820 9.76,821 1.826,822 14.419,823 7.501,824 11.476,825 0.388,826 13.942,827 1.422,828 8.369,829 10.743,831 16.376,832 8.105,833 12.877,834 0.368,835 15.692,836 0.947,837 9.664,838 12.446,839 2.009,840 18.729,841 9.374,842 3.018,843 -0.227,844 17.456,845 0.552,846 10.532,847 13.665,849 20.844,850 10.19,851 2.855,852 9.586,853 19.231,854 -0.559,855 11.705,856 15.242,857 2.232,858 23.126,859 11.335,860 2.503,861 9.046,862 21.015,863 4.434,864 12.681,865 16.586,867 25.312,868 12.259,869 2.388,870 6.972,871 22.806,872 3.806,873 13.8,874 18.105,875 2.475,876 27.568,877 13.346,878 1.969,879 6.912,880 24.603,881 3.44,882 14.83,883 19.515,885 29.785,886 14.327,887 1.656,888 5.821,889 26.404,890 3.173,891 15.927,892 21.009,893 2.731,894 32.032,895 15.388,896 1.522,897 4.405,898 28.21,899 2.559,900 16.985,901 22.454,903 34.263,904 16.398,905 9474,906 15182,907 20.86,908 32.779,909 43.928,910 44.525,911 44.529,912 43.803,913 43.911,914 60.125,915 5.146,916 120.086,917 42.266,918 5.354,919 5.186,920 6.075,921 5.041,922 5.018,923 7.434,924 2.302,925 15.931,926 4.893,927 7.176,928 1.464,929 1.484,930 1.484,931 1.46,932 1.464,933 2.004,934 0.172,935 4.003,936 1.409,937 4.111,938 4.154,939 4.075,940 3.989,941 6.458,942 4.005,943 3.95,944 3.976,945 3.888,946 3.872,947 5.045,948 3.871,949 3.864,950 3.896,951 3.793,952 3.808,953 4.871,954 3.801,955 3.532,956 3.591,957 3.448,958 3.343,959 4.718,960 3.363,961 3.238,962 3.306,963 3.098,964 3.059,965 4.394,966 3.057,967 3.226,968 3.27,969 3.087,970 3.035,971 4.291,972 3.037,973 2.98,974 3.043,975 2.828,976 2.769,977 3.953,978 2.765,979 2.9,980 2.967,981 2.783,982 2.746,983 3.777,984 2.754,985 0.15,986 0.106,987 0.209,988 0.133,989 0.101,990 4.488,991 0.148,992 3.186,993 0.038,994 6.273,995 0.32,996 3.976,997 0.096,998 3.018,999 4.434,1000 1.151,1001 9.586,1002 2.893,1003 1.946,1004 1.919,1005 2.053,1006 2.055,1007 1.186,1008 2.054,1009 1.907,1010 1.88,1011 2.021,1012 2.002,1013 1.13,1014 2.009,1015 1.862,1016 1.836,1017 1.969,1018 1.943,1019 1.084,1020 1.956,1021 1.515,1022 1.456,1023 1.68,1024 1.781,1025 0.792,1026 1.753,1027 1.268,1028 1.196,1029 1.513,1030 1.505,1031 0.667,1032 1.511,1033 1.188,1034 1.141,1035 1.452,1036 1.42,1037 0.607,1038 1.429,1039 0.913,1040 0.857,1041 1.186,1042 1.22,1043 0.248,1044 1.207,1045 0.903,1046 0.843,1047 1.181,1048 1.09,1049 0.218,1050 1.107,1051 4.111,1052 5.398,1053 2.398,1054 6.88,1055 4.727,1056 8.447,1057 6.823,1058 10.056,1062 9.2,1063 1.096,1064 3.423,1065 6.015,1069 31.235,1070 70.977,1071 160.529,1072 198.694,1073 238.959,1074 251.323,1075 254.078,1076 34.331,1077 7.556,1078 70.17,1079 70.17,1080 23,1081 12.335,1082 4.524,1083 3.585,1084 40.347,1085 114,1086 113,1087 0.168,1088 191.33,1089 320.3,1090 458.605,1091 22556,1093 18.476,1094 0.684,1095 0.55,1096 18.476,1097 14.852,1098 13.314,1099 0.444,1100 0.297,1101 8.79,1102 12.915,1103 8.607,1104 7.145,1105 13.314,1106 8.897,1107 11.408,1108 0.285,1109 0.158,1110 11.408,1111 6.309,1112 9.781,1113 0.188,1114 0.084,1115 9.781,1116 4.375,1117 7.991,1118 0.121,1119 0.045,1120 7.991,1121 2.967,1122 6.544,1123 0.081,1124 0.025,1125 6.544,1126 1.996,1127 0.269,1128 82.77,1129 0.219,1130 26.405,1131 0.443,1132 140,1133 378.196,1134 150.866,1135 369.639,1136 514.27,1137 350,1138 162,1139 379.73,1140 173.615,1141 388.019,1142 565.08,1143 366,1144 4} {0 CHEMBL71547,1 1.494,2 13.8,3 3.839,4 14.736,5 118.245,6 7.417,7 0.667,8 4.083,9 4.205,10 3.648,11 3.639,12 5.19,13 3.62,14 4.584,15 4.747,16 3.971,17 3.996,18 5.677,19 3.955,20 4.805,21 5.008,22 3.951,23 4.071,24 5.832,25 4,26 4.836,27 5.064,28 3.827,29 4.012,30 5.78,31 3.913,32 4.761,33 5.004,34 3.811,35 3.979,36 5.712,37 3.878,38 4.725,39 4.954,40 3.835,41 4.016,42 5.698,43 3.93,44 4.723,45 4.936,46 3.823,47 4.045,48 5.7,49 3.941,50 4.733,51 4.963,52 3.723,53 3.967,54 5.712,55 3.849,56 0.034,57 0.785,58 10.88,59 4.704,60 7.543,61 6.161,62 0.182,63 1.237,64 19.643,65 7.758,66 22.842,67 10.368,68 0.304,69 1.469,70 26.41,71 9.436,72 42.38,73 12.7,74 0.378,75 1.443,76 28.579,77 10.008,78 41.917,79 13.671,80 0.344,81 1.347,82 26.602,83 9.784,84 40.633,85 13.763,86 0.246,87 1.348,88 24.843,89 8.969,90 30.8,91 12.506,92 0.172,93 1.331,94 24.066,95 9.869,96 27.345,97 13.516,98 0.228,99 1.315,100 25.133,101 9.645,102 37.036,103 13.454,104 8,105 44,106 0.245,107 0.562,108 0.711,109 0.839,110 0.877,111 0.885,112 3.44,113 0.899,114 -4.23,115 -4.17,116 -3.94,117 44.4,118 1,122 3,125 12,126 2,127 2,129 1,130 1,132 1,133 1,138 11,140 5,141 2,142 5,143 11,145 5,147 1,148 1,149 4,151 6,154 4,155 2,156 2,157 4,159 1,160 2,161 1,162 1,163 4,164 9,167 3,170 2,171 14,174 4,177 1,178 3,180 14,181 1,182 3,184 3,185 8,187 1,189 2,190 5,191 6,193 1590,194 20.585,195 20.585,196 20.585,197 20.585,198 20.585,199 17.766,200 22.836,201 12.539,202 20.889,203 16.358,204 16.358,205 16.358,206 16.358,207 16.358,208 12.12,209 32.19,210 6.058,211 16.869,212 4.261,213 2.321,214 1.41,215 0.627,216 0.398,217 0.347,218 4.141,220 1,221 896,222 3.536,223 72.479,224 287.344,225 128.094,226 2.133,227 20.626,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 64,239 414,240 4.489,241 3.52,242 6.274,243 3.979,244 3.021,245 4.435,246 1.909,247 9.595,248 2.896,249 4.203,250 3.185,251 6.141,252 3.82,253 2.855,254 3.806,255 1.151,256 9.046,257 2.754,258 3.888,259 3.068,260 5.344,261 3.495,262 2.504,263 3.44,264 0.657,265 6.992,266 2.482,267 3.753,268 2.764,269 5.328,270 3.379,271 2.418,272 3.179,273 0.561,274 6.939,275 2.321,276 3.548,277 2.586,278 5.081,279 3.204,280 2.212,281 2.737,283 6.045,284 2.181,285 3.268,286 2.239,287 4.592,288 2.874,289 1.901,290 2.51,292 4.971,293 1.839,294 3.015,295 2.008,296 4.434,297 2.607,298 1.655,299 2.262,301 4.405,302 1.569,303 2.987,304 1.621,305 4.395,306 2.491,307 1.521,308 2.16,309 4.272,310 1.484,311 2.915,312 1.525,313 3.667,314 2.479,315 1.49,316 2.084,317 3.179,318 1.462,319 2.854,320 1.498,321 3.598,322 2.402,323 1.414,324 1.997,325 3.018,326 1.391,327 2.5,328 1.115,329 3.261,330 2,331 1,332 1.5,333 2.136,334 1,335 2.072,336 1,337 3.247,338 1.723,339 0.771,340 0.961,341 1.786,342 0.731,343 1.904,344 0.959,345 3.115,346 1.536,347 0.618,348 0.755,349 1.43,350 0.561,351 1.752,352 0.885,353 3.06,354 1.456,355 0.51,356 0.59,357 1.15,358 0.479,359 1.699,360 0.445,361 2.947,362 1.315,363 0.371,364 0.502,365 0.947,366 0.349,367 14.267,368 0.476,369 0.588,370 0.02,371 41.75,372 1.392,373 22.5,374 0.75,375 19.25,376 0.642,377 21.551,378 0.718,379 31.333,380 0.58,381 30.595,382 1.02,383 8.642,384 0.288,385 6.027,386 0.201,387 0.058,389 0.28,391 0.865,392 1.217,393 0.802,394 1.01,395 0.665,396 0.907,397 0.952,398 1.188,399 0.917,400 1.062,401 0.658,402 0.997,403 1.303,404 1.054,405 1.131,406 1.059,407 1.257,408 1.066,409 1.307,410 1.045,411 1.125,412 1.039,413 0.954,414 1.061,415 0.802,416 0.924,417 0.871,418 0.907,419 0.537,420 0.905,421 1.022,422 0.851,423 0.985,424 0.859,425 0.881,426 0.893,427 0.748,428 1.018,429 0.992,430 1.1,431 0.599,432 1.086,433 0.83,434 1.115,435 1.043,436 1.136,437 0.97,438 1.125,439 5.5,440 0.078,441 2.444,442 1.167,443 1.147,444 0.768,445 0.469,446 0.26,447 0.319,448 0.161,449 13588,450 34911,451 2.128,452 44.4,454 18,456 3,457 3,460 1.725,461 2.045,462 3.737,463 0.834,465 1,467 80.686,468 1.494,469 3.434,470 4.345,471 5.128,472 5.357,473 5.408,474 3.219,475 4.24,476 4.875,477 3.915,478 1703.18,479 8.486,480 25077.4,482 1,483 1,484 310.764,485 1.159,486 4.862,487 0.167,488 0.003,489 0.056,490 0.028,491 0.033,492 0.021,493 0.012,494 0.007,495 0.01,496 0.006,497 0.344,498 0.33,499 1,500 0.915,501 157.834,502 -0.06,503 -0.068,504 0.042,505 -0.003,506 -0.073,507 0.03,508 0.038,509 -0.1,510 -0.006,511 -0.078,512 0.057,513 -0.057,514 -0.126,515 -0.009,516 -0.16,517 -0.103,518 -0.171,519 -0.13,520 -0.082,521 -0.066,522 -0.119,523 -0.076,524 -0.094,525 -0.102,526 0.131,527 0.039,528 0.12,529 0.079,530 0.161,531 0.09,532 -0.133,533 0.176,534 -0.022,535 0.114,536 -0.069,537 0.079,538 -0.005,539 -0.035,540 -0.061,541 -0.084,542 0.037,543 -0.081,544 0.017,545 -0.148,546 -0.08,547 -0.139,548 -0.042,549 -0.128,550 1.744,551 4.088,552 0.7,553 35.467,554 0.998,555 1.122,556 2.999,557 8.993,558 0.677,559 3.526,560 3.807,561 4.025,562 4.263,563 4.477,564 4.489,565 4.635,566 4.771,567 4.796,568 4.89,569 7.963,570 0.644,571 400.52,572 3.526,573 5.043,574 5.866,575 6.718,576 7.56,577 8.416,578 9.268,579 10.129,580 10.986,581 11.849,582 7.4,585 1,586 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,597 1,598 1,600 54,601 23,602 3,603 33,604 57,605 24,606 19,607 6,608 12,610 4,611 5,612 1,616 20,617 4,619 1,621 1,623 1,625 1,627 24,628 5,629 3,630 6,632 1,633 4,634 0.75,635 2,639 1,640 3,641 1,642 1,648 3,651 1,653 30,657 3,658 2,659 1,664 3.7,666 1,667 1,668 14.667,669 9.783,670 6.639,671 3.072,672 4.334,673 1.555,674 1.01,675 6.426,676 12.15,677 3.829,678 4.422,679 4.969,680 5.543,681 6.059,682 6.23,683 6.621,684 7.03,685 7.155,686 7.5,687 1,688 41,689 11.043,690 4.585,691 7.661,692 21.226,693 17.057,694 2.161,695 64.833,697 1,698 1,699 247.193,700 157.036,701 69.593,702 36.145,705 157.036,706 283.338,707 69.593,708 8.825,709 26.815,710 113.715,711 66.974,712 44.301,713 2.144,714 247.193,715 247.193,716 226.629,717 36.145,719 247.193,720 36.145,722 56.897,723 134.935,724 34.796,726 247.193,727 105.737,728 157.036,730 247.193,731 34.496,732 122.54,733 52.807,734 52.93,735 247.193,736 105.737,737 157.036,738 0.569,739 0.313,740 0.167,741 0.095,742 20,743 8,744 0.14,745 8,746 1,747 1.095,748 4.372,749 253.038,750 0.095,751 21,752 143.207,755 20.143,756 9.571,757 5.482,758 1.793,759 88.952,760 24.176,761 4.546,762 3.22,763 4.795,764 52.807,765 509.967,766 45,768 11.088,770 -0.078,771 53.898,772 60.564,773 0.26,774 0.597,775 0.755,776 0.891,777 0.931,778 0.94,779 5.027,780 1.521,781 5.814,782 4.405,783 4.489,784 5.109,785 2.407,786 6.547,787 4.425,788 6.217,789 1.49,790 7.317,791 4.272,792 3.892,793 4.796,794 1.593,795 7.261,796 3.814,797 7.502,798 1.414,799 8.914,800 3.179,801 6.004,802 7.298,803 3.111,804 10.325,805 5.873,806 8.822,807 1,808 10.571,809 3.018,810 6.236,811 7.839,812 3.032,813 11.901,814 6.075,815 10.173,816 0.771,817 12.265,818 2.136,819 7.78,820 9.786,821 4.127,822 14.443,823 7.58,824 11.548,825 0.618,826 13.987,827 1.786,828 8.423,829 10.764,830 4.414,831 16.39,832 8.179,833 12.94,834 0.51,835 15.729,836 1.43,837 9.712,838 12.459,839 5.29,840 18.743,841 9.435,842 3.021,843 0.371,844 17.487,845 1.15,846 10.569,847 13.674,848 5.757,849 20.855,850 10.242,851 2.855,852 9.595,853 19.257,854 0.947,855 11.74,856 15.248,857 6.523,858 23.137,859 11.38,860 2.504,861 9.046,862 21.036,863 4.435,864 12.709,865 16.59,866 7.078,867 25.321,868 12.298,869 2.418,870 6.992,871 22.824,872 3.806,873 13.826,874 18.108,875 7.787,876 27.578,877 13.381,878 2.212,879 6.939,880 24.618,881 3.44,882 14.852,883 19.517,884 8.386,885 29.794,886 14.356,887 1.901,888 6.045,889 26.417,890 3.179,891 15.948,892 21.011,893 9.065,894 32.042,895 15.415,896 1.655,897 4.971,898 28.221,899 2.737,900 17.004,901 22.455,902 9.687,903 34.274,904 16.422,905 12862,906 20745,907 22.652,908 36.546,909 48.784,910 49.32,911 48.965,912 48.43,913 48.522,914 65.836,915 8.557,916 131.824,917 46.999,918 5.356,919 5.52,920 6.076,921 5.044,922 5.021,923 7.435,924 3.31,925 15.952,926 4.896,927 10.989,928 1.478,929 1.495,930 1.484,931 1.468,932 1.47,933 1.995,934 0.259,935 3.995,936 1.424,937 4.115,938 4.159,939 4.078,940 3.992,941 7.43,942 4.007,943 3.95,944 3.976,945 3.888,946 3.872,947 5.062,948 3.871,949 3.864,950 3.896,951 3.793,952 3.808,953 4.871,954 3.801,955 3.64,956 3.696,957 3.551,958 3.427,959 4.719,960 3.449,961 3.458,962 3.522,963 3.37,964 3.243,965 4.422,966 3.265,967 3.227,968 3.275,969 3.098,970 3.049,971 4.292,972 3.049,973 3.196,974 3.269,975 3.044,976 3.027,977 4.055,978 3.022,979 2.942,980 3.042,981 2.784,982 2.769,983 3.929,984 2.764,985 0.136,986 0.107,987 0.19,988 0.121,989 0.092,990 4.489,991 0.134,992 3.52,993 0.058,994 6.274,995 0.291,996 3.979,997 0.088,998 3.021,999 4.435,1000 1.909,1001 9.595,1002 2.896,1003 1.946,1004 1.919,1005 2.053,1006 2.055,1007 1.186,1008 2.054,1009 1.907,1010 1.88,1011 2.021,1012 2.002,1013 1.13,1014 2.009,1015 1.862,1016 1.836,1017 1.969,1018 1.944,1019 1.085,1020 1.957,1021 1.612,1022 1.548,1023 1.799,1024 1.871,1025 0.916,1026 1.851,1027 1.373,1028 1.311,1029 1.616,1030 1.637,1031 0.685,1032 1.627,1033 1.263,1034 1.191,1035 1.512,1036 1.495,1037 0.664,1038 1.505,1039 1.188,1040 1.141,1041 1.452,1042 1.42,1043 0.607,1044 1.429,1045 0.921,1046 0.857,1047 1.207,1048 1.206,1049 0.271,1050 1.222,1051 4.205,1052 5.493,1053 2.398,1054 6.963,1055 4.727,1056 8.516,1057 6.823,1058 10.114,1059 1.492,1063 1.562,1064 6.199,1065 6.04,1069 34.783,1070 80.686,1071 185.441,1072 234.625,1073 276.89,1074 289.254,1075 292.009,1076 42.345,1077 7.816,1078 79.04,1079 79.04,1080 23,1081 12.399,1082 4.585,1083 3.7,1084 47.249,1085 144,1086 140,1087 0.158,1088 214.381,1089 363.26,1090 514.85,1091 31586,1093 20.761,1094 0.692,1095 0.56,1096 20.761,1097 16.813,1098 14.67,1099 0.445,1100 0.3,1101 9.768,1102 14.201,1103 9.517,1104 7.926,1105 14.67,1106 9.888,1107 12.971,1108 0.295,1109 0.16,1110 12.971,1111 7.061,1112 10.356,1113 0.188,1114 0.086,1115 10.356,1116 4.73,1117 8.462,1118 0.121,1119 0.045,1120 8.462,1121 3.184,1122 7.026,1123 0.081,1124 0.025,1125 7.026,1126 2.165,1127 0.255,1128 91.229,1129 0.21,1130 29.03,1131 0.41,1132 154,1133 428.115,1134 167.362,1135 418.183,1136 576.75,1137 394,1138 176,1139 425.542,1140 189.059,1141 433.035,1142 625.61,1143 408,1144 4} {0 CHEMBL73115,1 1.447,2 12.259,3 3.817,4 14.573,5 108.801,6 7.316,7 0.733,8 3.991,9 4.118,10 3.548,11 3.558,12 5.088,13 3.534,14 4.48,15 4.641,16 3.865,17 3.924,18 5.527,19 3.876,20 4.704,21 4.915,22 3.866,23 3.994,24 5.69,25 3.914,26 4.733,27 4.965,28 3.709,29 3.919,30 5.657,31 3.814,32 4.636,33 4.88,34 3.626,35 3.875,36 5.501,37 3.757,38 4.597,39 4.834,40 3.663,41 3.899,42 5.516,43 3.792,44 4.598,45 4.821,46 3.652,47 3.908,48 5.526,49 3.793,50 4.593,51 4.841,52 3.546,53 3.826,54 5.484,55 3.695,56 0.053,57 0.721,58 10.163,59 4.206,60 9.848,61 5.614,62 0.137,63 1.129,64 17.729,65 7.063,66 18.831,67 9.481,68 0.223,69 1.349,70 23.809,71 8.834,72 31.157,73 12.21,74 0.352,75 1.317,76 25.8,77 8.986,78 35.159,79 12.363,80 0.221,81 1.19,82 23.315,83 8.913,84 26.175,85 12.418,86 0.173,87 1.184,88 21.864,89 8.355,90 25.623,91 11.802,92 0.174,93 1.18,94 21.552,95 8.647,96 25.832,97 12.006,98 0.206,99 1.157,100 22.12,101 8.41,102 27.778,103 12.026,104 3,105 40,106 0.242,107 0.552,108 0.696,109 0.833,110 0.875,111 0.885,112 3.339,113 0.899,114 -4.24,115 -4.18,116 -3.95,117 44.9,122 3,125 12,126 2,127 2,129 1,130 1,133 1,134 1,135 1,136 1,138 11,140 4,141 1,142 4,143 11,145 5,146 1,147 1,148 1,149 4,150 1,151 6,154 4,155 2,156 2,157 4,160 1,162 1,163 3,164 9,165 2,167 3,170 2,171 14,172 1,174 2,177 1,178 3,179 1,180 12,181 1,182 2,184 3,185 7,187 1,189 1,190 4,191 6,192 1,193 1192,194 18.886,195 18.886,196 18.886,197 18.886,198 18.886,199 16.274,200 20.991,201 11.429,202 19.18,203 14.803,204 14.803,205 14.803,206 14.803,207 14.803,208 10.862,209 30.659,210 5.416,211 15.32,212 4.168,213 2.317,214 1.457,215 0.635,216 0.383,217 0.327,218 4.044,219 1,220 1,221 727,222 2.915,223 63.904,224 249.917,225 111.018,226 1.844,227 15.364,229 1,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 57,239 331,240 4.488,241 3.185,242 6.273,243 3.977,244 3.018,245 4.434,246 1.151,247 9.586,248 2.894,249 4.203,250 3.07,251 6.141,252 3.819,253 2.855,254 3.806,255 0.657,256 9.046,257 2.753,258 3.888,259 2.764,260 5.341,261 3.495,262 2.503,263 3.44,264 0.522,265 6.972,266 2.482,267 3.739,268 2.582,269 5.319,270 3.343,271 2.388,272 3.173,274 6.912,275 2.275,276 3.297,277 2.225,278 5.031,279 2.924,280 1.969,281 2.559,283 5.821,284 1.877,285 3.016,286 2.005,287 4.434,288 2.607,289 1.656,290 2.265,292 4.405,293 1.569,294 2.988,295 1.62,296 4.395,297 2.491,298 1.522,299 2.16,301 4.272,302 1.484,303 2.915,304 1.524,305 3.667,306 2.48,307 1.491,308 2.084,309 3.179,310 1.463,311 2.854,312 1.498,313 3.598,314 2.402,315 1.414,316 1.997,317 3.018,318 1.391,319 2.5,320 1,321 3.259,322 2,323 1,324 1.5,325 2.136,326 1,327 2.071,328 0.959,329 3.247,330 1.721,331 0.769,332 0.959,333 1.775,334 0.729,335 1.903,336 0.915,337 3.114,338 1.529,339 0.615,340 0.754,341 1.422,342 0.557,343 1.709,344 0.664,345 3.059,346 1.317,347 0.388,348 0.503,349 0.947,350 0.357,351 1.528,352 0.439,353 2.72,354 1.3,355 0.368,356 0.429,357 0.552,358 0.345,359 1.06,360 0.088,361 2.489,362 0.73,363 -0.227,364 -0.277,365 -0.559,366 -0.215,367 12.933,368 0.479,369 0.444,370 0.016,371 38.25,372 1.417,373 21,374 0.778,375 17.25,376 0.639,377 18.297,378 0.678,379 27.867,380 0.569,381 26.534,382 0.983,383 7.87,384 0.291,385 5.444,386 0.202,387 0.031,389 0.271,391 1.055,392 1.122,393 0.833,394 0.939,395 1.156,396 0.866,397 1.174,398 1.169,399 0.963,400 1.065,401 1.027,402 1.006,403 1.153,404 1.077,405 1.029,406 1.088,407 0.871,408 1.051,409 1.562,410 0.992,411 1.169,412 1.028,413 1.223,414 1.06,415 1.06,416 0.92,417 0.96,418 0.959,419 0.834,420 0.96,421 0.914,422 0.903,423 0.951,424 0.927,425 0.935,426 0.937,427 0.879,428 0.994,429 1.028,430 1.078,431 0.83,432 1.076,433 0.767,434 1.032,435 1.001,436 1.06,437 0.832,438 1.058,439 4.5,440 0.078,441 2.222,442 1.167,443 0.987,444 0.688,445 0.276,446 0.198,447 0.232,448 0.141,449 10141,450 24113,451 2.165,452 44.9,454 18,456 4,460 1.698,461 2.104,462 3.58,463 1.624,465 1,467 70.906,468 1.447,469 3.297,470 4.158,471 4.98,472 5.232,473 5.288,474 3.056,475 4.31,476 4.726,477 3.728,478 1308.7,479 8.189,480 17483.4,482 1,483 1,484 275.121,485 1.038,486 4.719,487 0.15,488 0.004,489 0.056,490 0.031,491 0.032,492 0.023,493 0.009,494 0.006,495 0.009,496 0.006,497 0.325,499 1,500 0.528,501 136.187,502 -0.093,503 0.021,504 0.037,505 0.049,506 -0.194,507 0.061,508 -0.049,509 -0.093,510 -0.046,511 -0.082,512 -0.087,513 -0.069,514 0.004,515 -0.052,516 -0.061,517 -0.123,518 0.059,519 -0.102,520 -0.092,521 -0.013,522 -0.152,523 -0.071,524 -0.134,525 -0.114,526 -0.023,527 0.016,528 0.029,529 0.04,530 0.041,531 0.037,532 -0.073,533 0.079,534 0.011,535 0.066,536 -0.03,537 0.054,538 -0.02,539 -0.025,540 -0.078,541 -0.072,542 -0.021,543 -0.081,544 0.067,545 -0.076,546 -0.027,547 -0.069,548 0.004,549 -0.06,550 1.094,551 2.529,552 0.778,553 26.165,554 0.994,555 1.121,556 3.011,557 9.068,558 0.68,559 3.434,560 3.714,561 3.97,562 4.205,563 4.407,564 4.394,565 4.489,566 4.615,567 4.644,568 4.71,569 7.081,570 0.644,571 358.48,572 3.434,573 4.949,574 5.784,575 6.637,576 7.487,577 8.346,578 9.202,579 10.063,580 10.923,581 11.786,582 8.2,583 1,585 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,597 1,598 1,600 49,601 22,602 3,603 30,604 52,605 22,606 19,607 6,608 12,610 4,611 5,612 1,616 19,617 3,625 1,627 22,628 4,629 4,630 5,632 1,633 4,634 0.75,635 1,639 1,640 3,641 1,645 1,648 3,653 27,654 1,657 3,658 1,659 1,664 2,667 1,668 12.833,669 8.45,670 6.056,671 2.76,672 4.248,673 1.562,674 1.032,675 5.375,676 11.803,677 3.738,678 4.347,679 4.941,680 5.519,681 6.027,682 6.176,683 6.522,684 6.911,685 7.011,686 7.321,687 1,688 38,689 9.927,690 4.135,691 7.562,692 19.234,693 15.618,694 2.062,695 55.667,697 1,698 1,699 211.88,700 143.506,701 84.479,702 11,705 143.506,706 222.88,707 84.479,709 41.701,710 113.715,711 37.124,712 44.301,713 2.144,714 211.88,715 211.88,716 227.985,717 11,719 211.88,720 11,722 62.959,723 130.23,724 34.796,726 211.88,727 95.479,728 143.506,730 211.88,731 29.791,732 113.715,733 34.796,734 60.683,735 211.88,736 95.479,737 143.506,738 0.566,739 0.33,740 0.179,741 0.098,742 19,743 7,744 0.135,745 7,746 1,747 1.095,748 4.103,749 222.321,750 0.095,751 21,752 124.382,755 17.588,756 8.251,757 4.3,758 1.904,759 78.693,760 24.358,761 4.482,762 3.204,763 4.954,764 67.693,765 450.865,766 41,771 48.687,772 54.939,773 0.258,774 0.587,775 0.741,776 0.887,777 0.932,778 0.942,779 4.931,780 1.491,781 5.727,782 4.272,783 4.394,784 5.034,785 1.621,786 6.472,787 4.325,788 6.121,789 1.414,790 7.236,791 3.179,792 3.761,793 4.691,795 7.209,796 3.66,797 7.408,798 1,799 8.843,800 3.018,801 5.922,802 7.251,803 1.615,804 10.282,805 5.783,806 8.734,807 0.769,808 10.508,809 2.136,810 6.155,811 7.79,813 11.877,814 5.971,815 10.093,816 0.615,817 12.212,818 1.775,819 7.715,820 9.76,821 1.766,822 14.419,823 7.504,824 11.476,825 0.388,826 13.942,827 1.422,828 8.369,829 10.743,831 16.376,832 8.107,833 12.877,834 0.368,835 15.692,836 0.947,837 9.664,838 12.446,839 1.979,840 18.729,841 9.377,842 3.018,843 -0.227,844 17.456,845 0.552,846 10.532,847 13.665,849 20.844,850 10.193,851 2.855,852 9.586,853 19.231,854 -0.559,855 11.705,856 15.242,857 2.217,858 23.126,859 11.338,860 2.503,861 9.046,862 21.015,863 4.434,864 12.681,865 16.586,867 25.312,868 12.262,869 2.388,870 6.972,871 22.806,872 3.806,873 13.8,874 18.105,875 2.469,876 27.568,877 13.35,878 1.969,879 6.912,880 24.603,881 3.44,882 14.83,883 19.515,885 29.785,886 14.33,887 1.656,888 5.821,889 26.404,890 3.173,891 15.927,892 21.009,893 2.728,894 32.032,895 15.392,896 1.522,897 4.405,898 28.21,899 2.559,900 16.985,901 22.454,903 34.263,904 16.402,905 9474,906 14724,907 20.86,908 33.33,909 43.928,910 44.272,911 44.529,912 43.838,913 43.911,914 60.125,915 4.659,916 120.086,917 42.352,918 5.354,919 5.185,920 6.075,921 5.042,922 5.018,923 7.434,924 2.302,925 15.931,926 4.894,927 7.176,928 1.464,929 1.476,930 1.484,931 1.461,932 1.464,933 2.004,934 0.155,935 4.003,936 1.412,937 4.112,938 4.157,939 4.076,940 3.99,941 5.128,942 4.006,943 3.95,944 3.976,945 3.888,946 3.872,947 4.919,948 3.871,949 3.864,950 3.896,951 3.793,952 3.808,953 4.868,954 3.801,955 3.546,956 3.617,957 3.455,958 3.361,959 4.718,960 3.377,961 3.268,962 3.365,963 3.109,964 3.072,965 4.381,966 3.069,967 3.227,968 3.271,969 3.097,970 3.038,971 4.29,972 3.041,973 3.035,974 3.13,975 2.872,976 2.809,977 3.95,978 2.814,979 2.901,980 2.967,981 2.784,982 2.769,983 3.775,984 2.763,985 0.15,986 0.106,987 0.209,988 0.133,989 0.101,990 4.488,991 0.148,992 3.185,993 0.038,994 6.273,995 0.32,996 3.977,997 0.096,998 3.018,999 4.434,1000 1.151,1001 9.586,1002 2.894,1003 1.946,1004 1.919,1005 2.053,1006 2.055,1007 1.186,1008 2.054,1009 1.907,1010 1.88,1011 2.021,1012 2.002,1013 1.13,1014 2.009,1015 1.862,1016 1.836,1017 1.969,1018 1.943,1019 1.084,1020 1.956,1021 1.552,1022 1.478,1023 1.74,1024 1.815,1025 0.834,1026 1.799,1027 1.271,1028 1.198,1029 1.517,1030 1.513,1031 0.669,1032 1.518,1033 1.188,1034 1.141,1035 1.452,1036 1.42,1037 0.607,1038 1.429,1039 0.978,1040 0.885,1041 1.248,1042 1.318,1043 0.261,1044 1.307,1045 0.909,1046 0.856,1047 1.181,1048 1.091,1049 0.218,1050 1.107,1051 4.111,1052 5.398,1053 2.398,1054 6.88,1055 4.727,1056 8.447,1057 6.823,1058 10.056,1061 5.65,1063 1.632,1064 3.454,1065 6.029,1069 31.542,1070 70.906,1071 161.572,1072 203.737,1073 244.001,1074 256.366,1075 259.121,1076 32.635,1077 7.556,1078 75.96,1079 75.96,1080 23,1081 12.335,1082 4.524,1083 3.585,1084 40.347,1085 114,1086 113,1087 0.168,1088 194.128,1089 322.51,1090 465.432,1091 22556,1093 18.476,1094 0.684,1095 0.555,1096 18.476,1097 14.982,1098 13.314,1099 0.444,1100 0.3,1101 8.889,1102 12.953,1103 8.702,1104 7.237,1105 13.314,1106 8.989,1107 11.408,1108 0.285,1109 0.159,1110 11.408,1111 6.355,1112 9.781,1113 0.188,1114 0.085,1115 9.781,1116 4.418,1117 7.991,1118 0.121,1119 0.045,1120 7.991,1121 2.989,1122 6.544,1123 0.081,1124 0.025,1125 6.544,1126 2.02,1127 0.269,1128 82.416,1129 0.219,1130 26.405,1131 0.443,1132 140,1133 355.359,1134 150.121,1135 352.493,1136 496.35,1137 334,1138 162,1139 374.638,1140 172.898,1141 383.039,1142 557.62,1143 362,1144 4.886} {0 CHEMBL73117,1 1.494,2 12.1,3 3.335,4 11.122,5 116.586,6 7.417,7 0.667,8 4.083,9 4.205,10 3.648,11 3.639,12 5.206,13 3.62,14 4.584,15 4.748,16 3.986,17 4.003,18 5.669,19 3.965,20 4.807,21 5.002,22 4.025,23 4.107,24 5.863,25 4.049,26 4.875,27 5.082,28 3.961,29 4.111,30 5.897,31 4.03,32 4.876,33 5.098,34 3.976,35 4.133,36 5.876,37 4.044,38 4.893,39 5.106,40 4.047,41 4.167,42 6.009,43 4.089,44 4.902,45 5.113,46 3.956,47 4.157,48 5.942,49 4.059,50 4.864,51 5.105,52 3.791,53 4.063,54 5.82,55 3.938,56 0.034,57 0.785,58 10.88,59 4.704,60 9.348,61 6.161,62 0.185,63 1.238,64 19.666,65 7.758,66 20.644,67 10.368,68 0.286,69 1.485,70 26.129,71 9.469,72 39.507,73 12.672,74 0.381,75 1.514,76 28.95,77 10.433,78 43.113,79 13.897,80 0.247,81 1.494,82 29.141,83 11.354,84 37.851,85 15.388,86 0.378,87 1.545,88 29.331,89 11.065,90 55.69,91 15.104,92 0.351,93 1.554,94 29.586,95 11.207,96 46.46,97 15.074,98 0.309,99 1.482,100 29.306,101 10.853,102 45.203,103 15.157,104 14,105 45,106 0.245,107 0.568,108 0.711,109 0.833,110 0.871,111 0.879,112 3.441,113 0.896,114 -4.23,115 -4.17,116 -3.94,117 44.4,118 1,122 3,125 12,126 2,127 2,129 1,130 1,132 1,133 1,134 1,135 1,136 1,138 11,139 1,140 9,141 1,142 1,143 11,145 7,146 1,147 1,148 1,149 2,150 1,151 6,153 2,154 9,157 7,160 4,161 1,163 2,164 11,165 2,166 2,167 8,170 1,171 16,172 1,174 5,175 1,176 2,178 2,180 13,181 1,182 5,184 1,185 8,187 4,188 1,189 2,190 4,191 8,192 2,193 1566,194 20.593,195 20.593,196 20.593,197 20.593,198 20.593,199 17.823,200 22.455,201 12.31,202 20.894,203 16.265,204 16.265,205 16.265,206 16.265,207 16.265,208 12.09,209 30.722,210 5.802,211 16.802,212 4.261,213 2.284,214 1.41,215 0.664,216 0.435,217 0.384,218 4.139,220 1,221 788,222 3.674,223 73.637,224 284.437,225 127.25,226 1.787,227 23.827,230 1,231 1,232 1,233 0.6,234 0.5,235 1,236 1,237 0.87,238 64,239 363,240 4.508,241 3.722,242 6.488,243 4.055,244 3.097,245 4.44,246 1.943,247 10.142,248 2.965,249 4.242,250 3.168,251 6.226,252 3.873,253 2.916,254 3.818,255 1.151,256 9.388,257 2.792,258 4.027,259 3.065,260 6.077,261 3.678,262 2.723,263 3.442,264 0.736,265 8.783,266 2.596,267 3.885,268 2.77,269 5.337,270 3.487,271 2.494,272 3.4,273 0.522,274 6.955,275 2.477,276 3.496,277 2.625,278 5.125,279 3.101,280 2.132,281 2.785,282 0.079,283 6.15,284 2.062,285 3.199,286 2.273,287 4.847,288 2.779,289 1.78,290 2.421,292 5.098,293 1.767,294 3.012,295 2.007,296 4.417,297 2.601,298 1.647,299 2.253,301 4.325,302 1.564,303 2.987,304 1.631,305 4.408,306 2.486,307 1.519,308 2.16,309 4.254,310 1.478,311 2.91,312 1.524,313 3.681,314 2.477,315 1.481,316 2.075,317 3.18,318 1.463,319 2.853,320 1.5,321 3.602,322 2.402,323 1.414,324 1.994,325 3.019,326 1.391,327 2.5,328 1.202,329 3.471,330 2,331 1,332 1.5,333 2.136,334 1,335 2.179,336 1,337 3.247,338 1.802,339 0.818,340 1.043,341 2.018,342 0.799,343 1.904,344 0.957,345 3.156,346 1.545,347 0.629,348 0.764,349 1.447,350 0.57,351 1.796,352 0.672,353 3.074,354 1.336,355 0.398,356 0.543,357 1.022,358 0.371,359 1.53,360 0.439,361 2.774,362 1.3,363 0.374,364 0.43,365 0.553,366 0.347,367 14.267,368 0.476,369 0.623,370 0.021,371 41.75,372 1.392,373 22.5,374 0.75,375 19.25,376 0.642,377 22.822,378 0.761,379 31.333,380 0.58,381 32.126,382 1.071,383 8.589,384 0.286,385 6.046,386 0.202,387 0.086,389 0.308,391 0.865,392 1.217,393 0.802,394 1.01,395 0.762,396 0.907,397 0.948,398 1.152,399 0.879,400 1.017,401 0.703,402 0.951,403 1.274,404 1.025,405 1.061,406 1.018,407 1.091,408 1.007,409 1.402,410 1.005,411 1.145,412 1.042,413 1.12,414 1.061,415 1.013,416 0.965,417 0.9,418 0.995,419 1.014,420 0.951,421 0.946,422 0.97,423 0.922,424 0.978,425 1.054,426 0.952,427 1.171,428 1.002,429 1.118,430 1.076,431 1.132,432 1.095,433 0.961,434 1.037,435 1.077,436 1.071,437 1.129,438 1.089,439 5.5,440 0.115,441 2.889,442 1.667,443 1.507,444 1.142,445 0.602,446 0.46,447 0.38,448 0.2,449 12094,450 30519,451 2.107,452 44.4,454 18,456 3,457 3,460 1.731,461 2,462 3.542,463 0.834,465 1,467 80.686,468 1.494,469 3.471,470 4.345,471 5.091,472 5.32,473 5.371,474 3.002,475 4.374,476 4.876,477 3.69,478 1604.99,479 8.523,480 22397.3,482 1,483 1,484 310.764,485 1.295,486 4.851,487 0.167,488 0.005,489 0.064,490 0.037,491 0.037,492 0.027,493 0.013,494 0.011,495 0.011,496 0.006,497 0.378,498 0.33,499 1,500 0.756,501 154.347,502 -0.06,503 -0.068,504 0.042,505 -0.003,506 -0.112,507 0.03,508 0.043,509 -0.063,510 0.032,511 -0.032,512 0.004,513 -0.01,514 -0.104,515 0.03,516 -0.098,517 -0.059,518 -0.083,519 -0.072,520 -0.115,521 -0.007,522 -0.156,523 -0.072,524 -0.096,525 -0.113,526 -0.004,527 -0.02,528 0.077,529 0.014,530 0.024,531 0.048,532 0.113,533 0.013,534 0.05,535 0.015,536 0.127,537 0.027,538 -0.069,539 -0.021,540 -0.146,541 -0.086,542 -0.077,543 -0.122,544 -0.036,545 -0.078,546 -0.094,547 -0.083,548 -0.095,549 -0.096,550 1.721,551 5.474,552 0.7,553 29.293,554 0.998,555 1.122,556 2.999,557 8.993,558 0.677,559 3.526,560 3.829,561 4.094,562 4.344,563 4.564,564 4.615,565 4.745,566 4.883,567 4.905,568 4.905,569 6.948,570 0.644,571 400.52,572 3.526,573 5.056,574 5.9,575 6.767,576 7.63,577 8.504,578 9.374,579 10.251,580 11.126,581 12.005,582 7.4,583 1,586 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,598 1,600 54,601 23,602 3,603 33,604 57,605 24,606 19,607 6,608 12,610 4,611 5,612 2,616 20,617 4,619 1,621 1,623 1,625 1,627 24,628 5,629 3,630 6,632 1,633 4,634 0.75,635 2,639 1,640 3,641 1,643 1,645 1,648 3,651 1,653 30,654 1,657 3,659 1,662 1,664 3.7,666 1,667 1,668 15,669 9.817,670 6.694,671 3.064,672 4.155,673 1.542,674 1.01,675 6.123,676 11.825,677 3.829,678 4.434,679 5.01,680 5.594,681 6.116,682 6.333,683 6.737,684 7.151,685 7.284,686 7.533,687 1,688 45,689 11.067,690 4.642,691 7.694,692 21.168,693 17.125,694 2.194,695 65.833,697 1,698 1,699 247.193,700 157.036,701 69.593,702 36.145,705 157.036,706 283.338,707 69.593,708 8.825,709 44.825,710 113.715,711 48.963,712 44.301,713 2.144,714 247.193,715 247.193,716 226.629,717 36.145,719 247.193,720 36.145,722 74.908,723 134.935,724 16.786,726 247.193,727 105.737,728 157.036,730 247.193,731 34.496,732 125.664,733 16.786,734 85.828,735 247.193,736 105.737,737 157.036,738 0.573,739 0.335,740 0.182,741 0.101,742 21,743 9,744 0.123,745 7,746 1,747 1.095,748 4.177,749 265.387,750 0.095,751 21,752 143.207,755 20.143,756 9.119,757 4.725,758 1.683,759 88.952,760 23.552,761 4.478,762 3.172,763 4.293,764 49.683,765 509.967,766 45,768 12.474,770 -0.054,771 53.898,772 60.564,773 0.26,774 0.603,775 0.755,776 0.885,777 0.924,778 0.933,779 5.04,780 1.519,781 5.866,782 4.325,783 4.511,784 5.121,785 2.436,786 6.65,787 4.445,788 6.241,789 1.481,790 7.405,791 4.254,792 4.007,793 4.844,794 1.668,795 7.489,796 3.906,797 7.538,798 1.414,799 9.044,800 3.18,801 6.075,802 7.324,803 3.161,804 10.575,805 5.932,806 8.871,807 1,808 10.742,809 3.019,810 6.415,811 7.893,812 3.138,813 12.254,814 6.22,815 10.235,816 0.818,817 12.479,818 2.136,819 7.921,820 9.822,821 4.215,822 14.829,823 7.694,824 11.623,825 0.629,826 14.242,827 2.018,828 8.655,829 10.816,830 4.549,831 16.851,832 8.37,833 13.027,834 0.398,835 16.024,836 1.447,837 9.925,838 12.499,839 5.421,840 19.243,841 9.61,842 3.097,843 0.374,844 17.82,845 1.022,846 10.85,847 13.72,848 5.925,849 21.413,850 10.476,851 2.916,852 10.142,853 19.626,854 0.553,855 12.018,856 15.286,857 6.694,858 23.737,859 11.611,860 2.723,861 9.388,862 21.44,863 4.44,864 13.035,865 16.63,866 7.279,867 25.972,868 12.572,869 2.494,870 8.783,871 23.261,872 3.818,873 14.161,874 18.143,875 7.997,876 28.271,877 13.661,878 2.132,879 6.955,880 25.086,881 3.442,882 15.222,883 19.552,884 8.621,885 30.535,886 14.67,887 1.78,888 6.15,889 26.916,890 3.4,891 16.332,892 21.044,893 9.313,894 32.828,895 15.741,896 1.647,897 5.098,898 28.75,899 2.785,900 17.416,901 22.488,902 9.957,903 35.107,904 16.775,905 11467,906 18347,907 22.364,908 36.546,909 49.147,910 49.707,911 50.046,912 48.757,913 48.842,914 66.133,915 8.861,916 136.94,917 47.281,918 5.383,919 5.722,920 6.29,921 5.119,922 5.097,923 7.44,924 3.352,925 16.806,926 4.965,927 12.463,928 1.489,929 1.506,930 1.517,931 1.477,932 1.48,933 2.004,934 0.269,935 4.15,936 1.433,937 4.118,938 4.161,939 4.083,940 3.996,941 7.428,942 4.012,943 3.953,944 3.979,945 3.892,946 3.872,947 5.125,948 3.872,949 3.867,950 3.899,951 3.796,952 3.809,953 4.914,954 3.803,955 3.635,956 3.686,957 3.569,958 3.428,959 4.868,960 3.456,961 3.426,962 3.494,963 3.302,964 3.234,965 4.717,966 3.242,967 3.227,968 3.271,969 3.098,970 3.043,971 4.319,972 3.046,973 3.153,974 3.243,975 2.981,976 2.973,977 4.287,978 2.961,979 3.034,980 3.127,981 2.871,982 2.804,983 3.922,984 2.81,985 0.137,986 0.113,987 0.197,988 0.123,989 0.094,990 4.508,991 0.135,992 3.722,993 0.059,994 6.488,995 0.307,996 4.055,997 0.09,998 3.097,999 4.44,1000 1.943,1001 10.142,1002 2.965,1003 1.952,1004 1.926,1005 2.054,1006 2.065,1007 1.203,1008 2.06,1009 1.909,1010 1.882,1011 2.022,1012 2.003,1013 1.133,1014 2.011,1015 1.862,1016 1.836,1017 1.969,1018 1.944,1019 1.085,1020 1.956,1021 1.557,1022 1.485,1023 1.745,1024 1.82,1025 0.838,1026 1.803,1027 1.471,1028 1.419,1029 1.703,1030 1.707,1031 0.762,1032 1.703,1033 1.19,1034 1.143,1035 1.455,1036 1.42,1037 0.615,1038 1.429,1039 1.152,1040 1.079,1041 1.45,1042 1.386,1043 0.604,1044 1.411,1045 0.978,1046 0.883,1047 1.247,1048 1.311,1049 0.259,1050 1.306,1051 4.205,1052 5.509,1053 2.398,1054 7.008,1055 4.727,1056 8.591,1057 6.823,1058 10.218,1059 1.563,1061 5.677,1063 1.214,1065 6.059,1068 1.723,1069 34.783,1070 80.686,1071 187.441,1072 234.625,1073 274.89,1074 287.254,1075 290.009,1076 47.013,1077 7.67,1078 84.24,1079 84.24,1080 23,1081 12.542,1082 4.585,1083 3.7,1084 46.921,1085 123,1086 130,1087 0.182,1088 214.381,1089 363.26,1090 514.85,1091 24522,1093 20.924,1094 0.697,1095 0.561,1096 20.924,1097 16.838,1098 14.635,1099 0.443,1100 0.299,1101 9.734,1102 14.17,1103 9.477,1104 7.884,1105 14.635,1106 9.853,1107 12.869,1108 0.286,1109 0.157,1110 12.869,1111 7.076,1112 10.804,1113 0.183,1114 0.084,1115 10.804,1116 4.939,1117 8.896,1118 0.117,1119 0.044,1120 8.896,1121 3.377,1122 7.298,1123 0.077,1124 0.024,1125 7.298,1126 2.299,1127 0.285,1128 91.005,1129 0.211,1130 28.392,1131 0.498,1132 156,1133 430.406,1134 169.362,1135 420.576,1136 582.73,1137 396,1138 182,1139 434.105,1140 195.724,1141 441.115,1142 642.74,1143 416,1144 4.081} {0 CHEMBL73945,1 1.542,2 13,3 3.047,4 9.284,5 106.75,6 8.053,7 0.71,8 3.938,9 4.053,10 3.567,11 3.543,12 5.147,13 3.533,14 4.401,15 4.537,16 3.922,17 3.917,18 5.61,19 3.888,20 4.653,21 4.841,22 3.964,23 3.995,24 5.877,25 3.951,26 4.665,27 4.862,28 3.851,29 3.902,30 5.933,31 3.855,32 4.531,33 4.722,34 3.714,35 3.816,36 5.755,37 3.756,38 4.454,39 4.652,40 3.625,41 3.784,42 5.61,43 3.698,44 4.438,45 4.668,46 3.554,47 3.673,48 5.673,49 3.577,50 4.253,51 4.483,52 3.407,53 3.479,54 5.373,55 3.416,56 0.054,57 0.671,58 7.836,59 3.708,60 10.904,61 4.48,62 0.127,63 1.046,64 13.354,65 6.29,66 19.304,67 7.88,68 0.234,69 1.297,70 20.278,71 8.099,72 35.846,73 10.269,74 0.336,75 1.253,76 22.023,77 8.054,78 57.499,79 9.778,80 0.3,81 1.066,82 19.312,83 7.576,84 57.478,85 9.193,86 0.194,87 1.019,88 17.047,89 7.18,90 36.45,91 9.351,92 0.353,93 0.983,94 18.444,95 7.238,96 59,97 9.94,98 0.175,99 0.826,100 15.41,101 5.646,102 33.68,103 7.458,104 11,105 43,106 0.259,107 0.552,108 0.675,109 0.803,110 0.855,111 0.855,112 3.374,113 0.855,114 -4.27,115 -4.21,116 -3.97,117 47.8,122 1,125 12,126 3,127 1,129 1,130 1,131 1,132 1,133 1,134 1,135 1,136 1,138 13,140 4,141 2,142 4,143 14,145 7,146 1,147 1,148 1,149 5,150 1,151 11,154 9,155 1,156 2,157 10,160 4,162 1,163 3,164 15,165 2,166 1,167 1,170 1,171 14,172 1,173 1,174 3,176 2,177 1,178 2,179 1,180 8,182 4,184 4,185 2,187 5,188 1,189 1,190 5,191 2,192 1,193 1234,194 19.179,195 19.179,196 19.179,197 19.179,198 19.179,199 16.474,200 14.03,201 11.276,202 19.311,203 15.238,204 15.238,205 15.238,206 15.238,207 15.238,208 11.029,209 18.331,210 5.298,211 15.458,212 3.982,213 2.235,214 1.506,215 0.745,216 0.435,217 0.435,218 4.072,219 1,220 1,221 797,222 3.391,223 74.022,224 281.387,225 129.04,226 2.071,227 29.757,229 1,230 1,231 1,232 1,233 0.6,235 1,236 1,237 0.8,238 60,239 364,240 4.49,241 3.595,242 6.394,243 4.013,244 3.028,245 4.435,246 1.058,247 9.681,248 3.043,249 4.347,250 3.556,251 6.276,252 3.977,253 2.983,254 3.943,255 0.522,256 9.596,257 2.906,258 4.117,259 3.064,260 6.04,261 3.772,262 2.769,263 3.614,265 8.651,266 2.768,267 3.746,268 2.53,269 5.326,270 3.33,271 2.362,272 3.209,274 6.897,275 2.285,276 3.602,277 2.322,278 5.219,279 3.174,280 2.178,281 3.021,283 6.312,284 2.163,285 3.291,286 2.16,287 5.03,288 2.904,289 1.94,290 2.558,292 5.809,293 1.865,294 3.061,295 2.116,296 4.419,297 2.575,298 1.559,299 2.278,301 4.314,302 1.579,303 3.011,304 1.668,305 4.134,306 2.484,307 1.518,308 2.237,309 3.624,310 1.464,311 2.743,312 1.524,313 3.827,314 2.258,315 1.243,316 1.78,317 3.096,318 1.254,319 2.5,320 1.323,321 3.414,322 2,323 1,324 1.5,325 2.275,326 1,327 2.5,328 1,329 3.323,330 2,331 1,332 1.5,333 2.136,334 1,335 2.35,336 1,337 3.247,338 1.77,339 0.714,340 1.106,341 1.766,342 0.747,343 1.957,344 0.754,345 3.17,346 1.439,347 0.486,348 0.697,349 1.203,350 0.461,351 1.538,352 0.594,353 2.803,354 1.3,355 0.379,356 0.432,357 0.559,358 0.349,359 1.145,360 0.295,361 2.678,362 0.755,363 -0.22,364 -0.283,365 -0.597,366 -0.213,367 13.267,368 0.474,369 0.623,370 0.022,371 41.25,372 1.473,373 23.5,374 0.839,375 17.75,376 0.634,377 17.678,378 0.631,379 28.133,380 0.612,381 31.193,382 1.114,383 8.446,384 0.302,385 5.19,386 0.185,387 0.08,389 0.339,391 0.77,392 1.026,393 0.741,394 0.834,395 0.66,396 0.777,397 0.612,398 1.154,399 0.814,400 1.059,401 0.623,402 0.985,403 0.973,404 1.009,405 0.95,406 1.021,407 0.833,408 0.982,409 1.509,410 0.966,411 1.131,412 0.995,413 1.479,414 1,415 1.432,416 0.891,417 1.09,418 0.956,419 1.597,420 0.981,421 0.79,422 1.062,423 1.041,424 1.135,425 0.877,426 1.134,427 0.451,428 0.899,429 0.854,430 1.003,431 0.537,432 0.998,433 1.055,434 0.973,435 0.877,436 0.9,437 1.002,438 0.863,439 5.5,440 0.108,441 3.111,442 2.167,443 1.347,444 0.736,445 0.499,446 0.419,447 0.268,448 0.159,449 11204,450 30810,451 2.115,452 39.1,454 14,456 4,460 1.704,461 2,462 3.659,463 1.627,464 1,465 1,467 70.918,468 1.542,469 3.289,470 4.017,471 4.779,472 5.089,473 5.089,474 3.128,475 4.379,476 4.778,477 3.81,478 1440.32,479 8.275,480 19701.7,482 1,483 1,484 254.084,485 1.333,486 4.748,487 0.177,488 0.005,489 0.072,490 0.05,491 0.036,492 0.022,493 0.017,494 0.016,495 0.011,496 0.007,497 0.414,499 1,500 0.689,501 143.254,502 -0.108,503 0.074,504 0.009,505 0.098,506 -0.116,507 0.083,508 0.093,509 -0.104,510 -0.01,511 -0.108,512 -0.006,513 -0.086,514 -0.026,515 0.01,516 -0.018,517 -0.066,518 0.037,519 -0.042,520 -0.198,521 0.023,522 -0.127,523 -0.039,524 -0.113,525 -0.062,526 -0.179,527 0.046,528 -0.097,529 0.037,530 -0.195,531 -0.012,532 0.02,533 -0.11,534 -0.099,535 -0.137,536 -0.044,537 -0.139,538 0.408,539 0.031,540 0.167,541 0.008,542 0.309,543 0.04,544 -0.054,545 -0.014,546 0.156,547 0.088,548 -0.019,549 0.147,550 1.923,551 5.518,552 0.75,553 29.648,554 1.005,555 1.116,556 3.038,557 9.228,558 0.701,559 3.466,560 3.784,561 4.06,562 4.29,563 4.489,564 4.522,565 4.644,566 4.727,567 4.718,568 4.754,569 7.428,570 0.678,571 370.44,572 3.466,573 5.004,574 5.855,575 6.725,576 7.589,577 8.463,578 9.331,579 10.206,580 11.077,581 11.952,582 8.7,583 1,586 1,587 1,588 1,589 2,590 12,591 1,592 1,593 5,594 22,595 1,596 1,600 46,601 24,602 3,603 31,604 49,605 22,606 19,607 6,608 12,609 2,610 4,611 5,612 1,616 21,617 1,619 2,621 2,623 2,624 1,625 1,627 18,628 5,629 4,630 6,632 1,633 4,634 0.75,635 2,639 1,640 3,641 1,645 1,648 3,653 28,654 1,657 1,658 1,664 4.3,666 2,668 14,669 8.117,670 6.194,671 2.586,672 3.985,673 1.525,674 1.038,675 4.919,676 11.58,677 3.807,678 4.434,679 5.059,680 5.643,681 6.164,682 6.414,683 6.823,684 7.13,685 7.248,686 7.538,687 0.889,688 43,689 10.336,690 4.466,691 7.875,692 19.371,693 15.857,694 2.375,695 66.5,698 1,699 164.795,700 144.588,701 84.479,702 50.29,705 144.588,706 215.085,707 84.479,709 53.014,710 113.715,711 79.241,712 31.243,713 2.144,714 164.795,715 164.795,716 229.067,717 50.29,719 164.795,720 50.29,722 74.271,723 138.011,724 16.786,726 164.795,727 134.769,728 144.588,730 164.795,731 30.873,732 113.715,733 34.796,734 99.973,735 164.795,736 134.769,737 144.588,738 0.58,739 0.346,740 0.182,741 0.098,742 21,743 9,744 0.102,745 5,746 1,747 1.095,748 4.1,749 237.375,750 0.095,751 21,752 126.606,755 17.959,756 7.669,757 3.829,758 1.601,759 117.983,760 21.083,761 4.362,762 3.107,763 2.947,764 67.693,765 444.153,766 44,768 24.969,770 -0.333,771 46.247,772 51.318,773 0.279,774 0.595,775 0.727,776 0.865,777 0.921,778 0.921,779 5.021,780 1.518,781 5.832,782 4.314,783 4.466,784 5.121,785 1.331,786 6.624,787 4.441,788 6.239,789 1.243,790 7.381,791 3.624,792 4.007,793 4.89,795 7.462,796 3.984,797 7.547,798 1,799 9.027,800 3.096,801 6.047,802 7.359,803 1.297,804 10.54,805 5.999,806 8.892,807 1,808 10.728,809 2.275,810 6.415,811 7.967,813 12.184,814 6.372,815 10.267,816 0.714,817 12.465,818 2.136,819 7.902,820 9.88,821 1.348,822 14.756,823 7.839,824 11.664,825 0.486,826 14.226,827 1.766,828 8.648,829 10.897,831 16.736,832 8.59,833 13.078,834 0.379,835 16.004,836 1.203,837 9.906,838 12.567,839 1.425,840 19.121,841 9.834,842 3.028,843 -0.22,844 17.794,845 0.559,846 10.833,847 13.799,849 21.25,850 10.762,851 2.983,852 9.681,853 19.593,854 -0.597,855 11.993,856 15.356,857 1.51,858 23.559,859 11.912,860 2.769,861 9.596,862 21.4,863 4.435,864 13.006,865 16.703,867 25.757,868 12.924,869 2.362,870 8.651,871 23.212,872 3.943,873 14.124,874 18.209,875 1.599,876 28.036,877 14.035,878 2.178,879 6.897,880 25.03,881 3.614,882 15.178,883 19.616,885 30.265,886 15.086,887 1.94,888 6.312,889 26.851,890 3.209,891 16.279,892 21.101,893 1.69,894 32.531,895 16.183,896 1.559,897 5.809,898 28.675,899 3.021,900 17.353,901 22.541,903 34.776,904 17.254,905 10511,906 17558,907 20.978,908 32.262,909 46.766,910 48.538,911 47.564,912 46.266,913 46.319,914 64.62,915 3.16,916 131.837,917 45.767,918 5.323,919 5.595,920 6.196,921 5.058,922 5.028,923 7.435,924 2.117,925 16.439,926 5.043,927 12.001,928 1.509,929 1.566,930 1.534,931 1.492,932 1.494,933 2.085,934 0.102,935 4.253,936 1.476,937 4.114,938 4.157,939 4.079,940 3.996,941 7.431,942 4.01,943 3.988,944 4.007,945 3.942,946 3.921,947 7.426,948 3.923,949 3.835,950 3.863,951 3.772,952 3.773,953 5.126,954 3.768,955 3.554,956 3.617,957 3.481,958 3.365,959 4.914,960 3.386,961 3.342,962 3.383,963 3.273,964 3.164,965 4.743,966 3.188,967 3.138,968 3.201,969 3.029,970 2.909,971 4.649,972 2.929,973 2.985,974 3.039,975 2.866,976 2.783,977 4.338,978 2.785,979 2.887,980 2.943,981 2.781,982 2.735,983 3.887,984 2.732,985 0.145,986 0.116,987 0.206,988 0.129,989 0.098,990 4.49,991 0.143,992 3.595,993 0.034,994 6.394,995 0.312,996 4.013,997 0.098,998 3.028,999 4.435,1000 1.058,1001 9.681,1002 3.043,1003 1.973,1004 1.955,1005 2.063,1006 2.061,1007 1.153,1008 2.06,1009 1.915,1010 1.888,1011 2.002,1012 2.012,1013 1.112,1014 2.013,1015 1.831,1016 1.805,1017 1.948,1018 1.913,1019 1.024,1020 1.926,1021 1.552,1022 1.478,1023 1.739,1024 1.814,1025 0.834,1026 1.798,1027 1.276,1028 1.258,1029 1.374,1030 1.512,1031 0.403,1032 1.471,1033 1.052,1034 1.005,1035 1.252,1036 1.332,1037 0.283,1038 1.312,1039 0.954,1040 0.875,1041 1.181,1042 1.226,1043 0.218,1044 1.2,1045 0.886,1046 0.821,1047 1.181,1048 1.062,1049 0.218,1050 1.107,1051 4.143,1052 5.46,1053 2.398,1054 6.971,1055 4.727,1056 8.562,1057 6.823,1058 10.193,1061 5.592,1063 0.324,1064 2.849,1069 31.203,1070 70.918,1071 151.29,1072 184.8,1073 219.819,1074 234.084,1075 234.084,1076 48.96,1077 7.595,1078 100.87,1079 100.87,1080 23,1081 12.492,1082 4.644,1083 3.807,1084 42.776,1085 126,1086 120,1087 0.164,1088 192.269,1089 326.02,1090 460.897,1091 22180,1093 19.51,1094 0.697,1095 0.535,1096 19.51,1097 14.976,1098 13.635,1099 0.44,1100 0.285,1101 8.747,1102 13.275,1103 8.578,1104 7.119,1105 13.635,1106 8.837,1107 12.09,1108 0.281,1109 0.148,1110 12.09,1111 6.346,1112 10.561,1113 0.185,1114 0.078,1115 10.561,1116 4.429,1117 8.526,1118 0.118,1119 0.041,1120 8.526,1121 2.966,1122 6.749,1123 0.077,1124 0.023,1125 6.749,1126 1.98,1127 0.266,1128 84.545,1129 0.218,1130 27.275,1131 0.43,1132 148,1133 427.094,1134 159.229,1135 422.299,1136 579.39,1137 394,1138 174,1139 428.019,1140 185.396,1141 437.018,1142 638.43,1143 413,1144 4.337}