@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1641348

@attribute molecule_id {CHEMBL101,CHEMBL102,CHEMBL1144,CHEMBL1146,CHEMBL119625,CHEMBL1231530,CHEMBL1231562,CHEMBL1233636,CHEMBL129,CHEMBL1349,CHEMBL1435,CHEMBL1440,CHEMBL161,CHEMBL1644,CHEMBL1790041,CHEMBL252036,CHEMBL29,CHEMBL30,CHEMBL316157,CHEMBL324846,CHEMBL34259,CHEMBL461,CHEMBL463,CHEMBL483,CHEMBL484,CHEMBL494753,CHEMBL507674,CHEMBL510139,CHEMBL52333,CHEMBL527,CHEMBL548,CHEMBL589366,CHEMBL6,CHEMBL617,CHEMBL815,CHEMBL897,CHEMBL902}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.020 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_NN numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PN numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_NN numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PN numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CATS2D_09_PN numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 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.dm. 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.dm. 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.dm. 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.dm. 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.dm. 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.dm. 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.dm. 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.dm. 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.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 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.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute N.077 numeric
@attribute N.078 numeric
@attribute N.079 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCNO numeric
@attribute nArCO numeric
@attribute nArCONHR numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBeta.Lactams numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nC..N.N2 numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr. numeric
@attribute nDB numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdNH numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nImidazoles numeric
@attribute nN numeric
@attribute nN. numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nN.N numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxolanes numeric
@attribute nP numeric
@attribute nP..O.O2R numeric
@attribute nPyrazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nRCO numeric
@attribute nRCONH2 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nRCOOR numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute nRNHR numeric
@attribute nRNO2 numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO2N numeric
@attribute nSO3OH numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute NtN numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.120 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_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_0d numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_1d numeric
@attribute Psi_i_1s 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_4 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_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdNH numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdsssP 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 SsCl 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 SssssC numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.446,2 7.826,3 3.954,4 15.635,5 88.758,6 7.172,7 0.48,8 3.839,9 3.959,10 3.38,11 3.415,12 4.922,13 3.378,14 4.375,15 4.544,16 3.73,17 3.786,18 5.398,19 3.726,20 4.672,21 4.898,22 3.845,23 3.882,24 5.728,25 3.822,26 4.662,27 4.875,28 3.869,29 3.87,30 5.898,31 3.833,32 4.669,33 4.849,34 3.905,35 3.946,36 5.92,37 3.911,38 4.709,39 4.885,40 3.784,41 3.964,42 5.962,43 3.888,44 4.686,45 4.916,46 3.404,47 3.861,48 5.722,49 3.706,50 4.495,51 4.776,52 2.985,53 3.661,54 5.236,55 3.43,56 0.038,57 0.601,58 8.888,59 4.081,60 5.156,61 5.398,62 0.146,63 0.99,64 16.401,65 6.622,66 17.502,67 9.209,68 0.292,69 1.242,70 24.255,71 8.304,72 32.575,73 11.719,74 0.37,75 1.219,76 24.217,77 7.766,78 68.332,79 10.649,80 0.292,81 1.204,82 23.807,83 8.29,84 56.792,85 10.672,86 0.312,87 1.215,88 24.763,89 9.207,90 69.439,91 11.674,92 0.329,93 1.163,94 25.075,95 9.444,96 66.226,97 12.634,98 0.124,99 0.964,100 20.618,101 8.782,102 29.777,103 12.55,104 13,105 34,106 0.252,107 0.491,108 0.602,109 0.703,110 0.725,111 0.725,112 3.19,113 0.962,114 -4.93,115 -4.83,116 -4.53,117 44.2,118 1,119 3,120 1,133 10,135 2,147 2,155 1,160 12,163 2,164 8,172 11,175 2,176 12,184 6,187 1,188 14,196 5,203 14,211 12,216 10,224 18,228 2,236 18,247 14,260 7,264 723,265 15.872,266 15.872,267 15.872,268 15.872,269 15.872,270 14.208,271 15.204,272 9.751,273 15.963,274 12.311,275 12.311,276 12.311,277 12.311,278 12.311,279 9.84,280 23.887,281 4.573,282 12.445,283 3.98,284 2.614,285 1.977,286 1.402,287 1.273,288 1.273,289 3.87,291 1,292 1,293 1,294 380,295 2.55,297 63.213,298 143.506,303 1.153,304 23.604,305 1,306 1,307 1,308 1,309 1,310 0.8,311 0.5,312 1,313 1,314 0.9,315 49,316 180,317 4.558,318 4.137,319 7.184,320 4.375,321 3.4,322 3.87,323 2.166,324 12.579,325 3.31,326 3.929,327 3.393,328 6.019,329 3.535,330 2.562,331 3.464,332 1.722,333 8.37,334 2.511,335 3.826,336 2.918,337 6.002,338 3.524,339 2.527,340 3.223,341 0.215,342 8.336,343 2.491,344 3.286,345 2.524,346 4.992,347 2.85,348 1.827,349 2.453,350 0.109,351 5.15,352 1.855,353 3.113,354 1.932,355 4.736,356 2.818,357 1.826,358 2.274,360 4.765,361 1.809,362 2.825,363 1.784,364 3.674,365 2.48,366 1.476,367 1.93,369 2.974,370 1.48,371 2.636,372 1.519,373 3.666,374 2.347,375 1.338,376 1.637,378 2.943,379 1.344,380 2.5,381 1.321,382 3.471,383 2.04,384 1.046,385 1.5,387 2.435,388 1.038,389 2.5,390 1.056,391 3.247,392 2,393 1,394 1.5,396 2.136,397 1,398 2.286,399 1,400 3.247,401 2,402 1,403 1.252,405 2.136,406 1,407 1.793,408 1,409 2.918,410 1.495,411 0.455,412 0.526,414 0.851,415 0.469,416 1.177,417 0.489,418 2.914,419 0.806,420 -0.209,421 -0.27,423 -0.444,424 -0.206,425 1,426 0.23,427 2.219,428 0.789,429 -0.253,430 -0.303,432 -0.54,433 -0.266,434 0.635,435 -0.433,436 2.142,437 0.189,438 -0.805,439 -1.091,441 -1.778,442 -0.8,443 0.5,444 -0.664,445 2.082,446 0.02,447 -1,448 -1.262,450 -2.21,451 -1,452 10.967,453 0.477,454 0.436,455 0.019,456 30,457 1.304,458 16,459 0.696,460 14,461 0.609,462 17.891,463 0.778,464 24.433,465 0.568,466 21.562,467 0.937,468 5.71,469 0.248,470 5.527,471 0.24,472 0.106,474 0.301,476 0.54,477 1.199,478 0.792,479 1.073,480 0.505,481 0.984,482 0.531,483 1.388,484 0.866,485 1.166,486 0.56,487 1.078,488 0.999,489 1.083,490 0.82,491 0.908,492 0.973,493 0.843,494 1.439,495 0.951,496 0.917,497 0.803,498 1.204,499 0.774,500 1.826,501 0.914,502 1.067,503 0.882,504 1.765,505 0.868,506 1.854,507 1.03,508 1.304,509 1.099,510 1.956,511 1.13,512 1.439,513 0.919,514 1.342,515 1.061,516 1.53,517 1.177,518 0.318,519 0.999,520 1.036,521 1.161,522 0.38,523 1.198,524 2.5,525 0.025,526 2.222,527 2.611,528 1.807,529 0.983,530 0.333,531 0.191,532 0.098,533 0.051,534 4752,535 11372,536 2.067,537 46.5,538 9,539 10,543 1,547 1.669,548 1.944,549 2.945,550 -0.815,552 1,555 62.18,556 1.446,557 2.812,558 3.45,559 4.025,560 4.153,561 4.153,562 2.298,563 3.154,564 4.488,565 3.081,566 779.543,567 7.794,568 8643.46,570 1,572 1,573 233.329,574 1.371,575 4.458,576 0.1,577 0.012,578 0.065,579 0.071,580 0.048,581 0.025,582 0.01,583 0.009,584 0.007,585 0.007,586 0.353,587 0.33,588 1,589 1.17,590 104.518,591 0.082,592 -0.05,593 0.059,594 -0.034,595 -0.015,596 -0.005,597 0.212,598 -0.288,599 0.038,600 -0.173,601 0.013,602 -0.114,603 0.12,604 -0.044,605 0.177,606 0.031,607 0.015,608 0.098,609 0.002,610 0.11,611 0.109,612 0.116,613 0.149,614 0.134,615 -0.236,616 0.129,617 -0.054,618 0.071,619 -0.086,620 0.046,621 -0.296,622 -0.039,623 -0.304,624 -0.12,625 -0.183,626 -0.198,627 -0.275,628 0.021,629 -0.355,630 -0.079,631 -0.234,632 -0.206,633 0.038,634 -0.118,635 -0.108,636 -0.136,637 -0.007,638 -0.144,639 1.921,640 5.869,641 0.739,642 17.66,643 0.996,644 1.12,645 3.699,646 13.685,647 0.669,648 3.258,649 3.555,650 3.892,651 4.22,652 4.454,653 4.5,654 4.595,655 4.635,656 4.554,657 4.344,658 4.897,659 0.633,660 308.41,661 3.258,662 4.779,663 5.645,664 6.538,665 7.438,666 8.35,667 9.264,668 10.184,669 11.105,670 12.03,671 4.7,678 2,687 10,692 2,694 12,707 43,709 14,710 2,711 25,712 45,713 19,714 12,715 2,716 10,718 3,719 3,723 1,727 1,728 3,730 14,731 5,732 1,734 2,738 2,741 2,744 1,747 20,748 4,750 4,753 2,757 1,758 1,759 2,771 1,772 2,791 3,794 1,797 23,802 3,806 1,807 2,815 4.7,818 2,822 11.833,823 7.9,824 5.278,825 2.879,827 1.865,828 1.275,829 0.967,830 4.657,831 8.651,832 3.526,833 4.025,834 4.549,835 5.083,836 5.558,837 5.6,838 5.959,839 6.274,840 6.437,841 6.484,842 0.667,843 37,844 8.581,846 3.682,847 7.783,848 16.362,850 13.427,853 2.283,854 52.5,857 1,858 235.422,859 126.114,860 6.004,862 50.29,865 126.114,866 285.712,867 6.004,868 8.825,869 13.607,870 94.762,871 59.699,872 5.513,874 235.422,876 235.422,877 132.118,878 50.29,880 235.422,881 50.29,884 22.432,885 109.685,888 235.422,889 56.293,890 126.114,893 235.422,894 22.526,895 109.591,897 50.29,898 235.422,899 56.293,900 126.114,901 0.561,902 0.343,903 0.206,904 0.123,905 16,906 7,907 0.111,908 5,910 1,911 3.395,912 189.151,914 17,915 78.042,918 15.604,919 6.865,920 2.96,922 56.293,923 18.677,928 1.433,931 417.83,932 33,936 25.739,939 -0.281,941 42.811,942 48.152,943 0.266,944 0.518,945 0.636,946 0.742,947 0.765,948 0.765,949 4.745,950 1.046,951 5.617,952 2.943,953 4.234,954 4.71,955 2.641,956 6.482,957 4.21,958 5.909,959 1,960 7.201,961 2.435,962 3.761,963 4.248,964 2.179,965 7.535,966 3.701,967 7.192,968 1,969 8.904,970 2.136,971 5.844,972 6.74,973 3.76,974 10.749,975 5.771,976 8.514,977 0.455,978 10.679,979 2.136,980 6.312,981 7.106,982 3.84,983 12.717,984 6.194,985 9.876,986 -0.209,987 12.503,988 0.851,989 7.828,990 9.055,991 5.063,992 15.455,993 7.695,994 11.267,995 -0.253,996 14.358,997 -0.444,998 8.728,999 9.818,1000 5.416,1001 17.772,1002 8.553,1003 12.681,1004 -0.805,1005 16.237,1006 -0.54,1007 10.038,1008 11.513,1009 6.456,1010 20.365,1011 9.842,1012 3.4,1013 -1,1014 18.133,1015 -1.778,1016 11.126,1017 12.492,1018 6.969,1019 22.816,1020 10.893,1021 2.562,1022 12.579,1023 20.042,1024 -2.21,1025 12.367,1026 14.048,1027 7.904,1028 25.366,1029 12.109,1030 2.527,1031 8.37,1032 21.961,1033 3.87,1034 13.533,1035 15.158,1036 8.515,1037 27.867,1038 13.243,1039 1.827,1040 8.336,1041 23.89,1042 3.464,1043 14.754,1044 16.631,1045 9.386,1046 30.403,1047 14.438,1048 1.826,1049 5.15,1050 25.825,1051 3.223,1052 15.952,1053 17.823,1054 10.059,1055 32.924,1056 15.606,1057 1.476,1058 4.765,1059 27.766,1060 2.453,1061 17.171,1062 19.245,1063 10.891,1064 35.456,1065 16.797,1066 1.338,1067 2.974,1068 29.712,1069 2.274,1070 18.383,1071 20.491,1072 11.602,1073 37.984,1074 17.98,1075 4745,1076 7469,1077 16.701,1078 28.773,1079 37.463,1080 38.696,1081 38.856,1082 36.929,1083 36.913,1084 47.259,1085 8.425,1086 105.348,1087 36.616,1088 5.489,1089 6.137,1090 7.043,1091 5.386,1092 5.4,1093 6.87,1094 3.858,1095 20.171,1096 5.31,1097 9.945,1098 1.499,1099 1.548,1100 1.554,1101 1.477,1102 1.477,1103 1.89,1104 0.337,1105 4.214,1106 1.465,1107 4.02,1108 4.057,1109 3.976,1110 3.897,1111 7.444,1112 3.907,1113 3.846,1114 3.878,1115 3.774,1116 3.787,1117 7.409,1118 3.78,1119 3.758,1120 3.802,1121 3.663,1122 3.647,1123 4.791,1124 3.644,1125 3.55,1126 3.61,1127 3.392,1128 3.372,1129 4.718,1130 3.372,1131 3.106,1132 3.201,1133 2.931,1134 2.904,1135 4.172,1136 2.896,1137 2.957,1138 2.965,1139 2.914,1140 2.748,1141 4,1142 2.768,1143 2.854,1144 2.925,1145 2.687,1146 2.735,1147 3.674,1148 2.715,1149 2.854,1150 2.925,1151 2.687,1152 2.735,1153 3.674,1154 2.715,1155 0.182,1156 0.165,1157 0.287,1158 0.175,1159 0.136,1160 4.558,1161 0.155,1162 4.137,1163 0.087,1164 7.184,1165 0.503,1166 4.375,1167 0.132,1168 3.4,1169 3.87,1170 2.166,1171 12.579,1172 3.31,1173 1.908,1174 1.876,1175 2.021,1176 2.02,1177 1.326,1178 2.019,1179 1.865,1180 1.835,1181 2.006,1182 1.96,1183 1.093,1184 1.975,1185 1.751,1186 1.701,1187 1.979,1188 1.902,1189 1.048,1190 1.931,1191 1.451,1192 1.4,1193 1.698,1194 1.656,1195 0.927,1196 1.668,1197 1.183,1198 1.136,1199 1.309,1200 1.48,1201 0.469,1202 1.419,1203 0.989,1204 0.91,1205 1.276,1206 1.262,1207 0.358,1208 1.283,1209 0.886,1210 0.821,1211 1.181,1212 1.062,1213 0.218,1214 1.107,1215 0.886,1216 0.821,1217 1.181,1218 1.062,1219 0.218,1220 1.107,1221 3.932,1222 5.231,1223 2.398,1224 6.751,1225 4.949,1226 8.374,1227 7.209,1228 10.054,1229 2.063,1234 2.433,1238 -0.588,1239 3.024,1243 27.214,1244 62.18,1245 120.917,1246 148.336,1247 173.065,1248 178.574,1249 178.574,1250 46.205,1251 6.787,1252 40.62,1253 40.62,1254 17,1255 12.536,1256 3.907,1257 3.17,1258 36.321,1259 65,1260 81,1261 0.28,1262 169.007,1263 296.84,1264 404.136,1265 6332,1267 16.234,1268 0.706,1269 0.573,1270 16.234,1271 13.183,1272 11.236,1273 0.449,1274 0.321,1275 7.946,1276 10.94,1277 7.767,1278 6.505,1279 11.236,1280 8.017,1281 9.475,1282 0.279,1283 0.167,1284 9.475,1285 5.666,1286 8.289,1287 0.173,1288 0.085,1289 8.289,1290 4.062,1291 7.242,1292 0.108,1293 0.043,1294 7.242,1295 2.877,1296 5.931,1297 0.07,1298 0.024,1299 5.931,1300 2.01,1301 0.413,1302 69.573,1303 0.245,1304 21.936,1305 0.854,1306 118,1307 328.761,1308 128.59,1309 319.058,1310 438.9,1311 298,1312 141,1313 329.552,1314 153.561,1315 329.842,1316 489.19,1317 313,1318 4.46}
{0 CHEMBL102,1 2.007,2 11.567,3 -0.641,4 0.411,5 107.133,6 9.692,7 0.156,8 4.001,9 4.084,10 3.826,11 3.496,12 5.311,13 3.498,14 4.487,15 4.607,16 4.204,17 3.832,18 5.885,19 3.816,20 4.615,21 4.735,22 4.223,23 3.918,24 5.98,25 3.909,26 4.75,27 4.872,28 4.358,29 3.967,30 6.167,31 3.98,32 4.823,33 4.944,34 4.43,35 3.92,36 6.455,37 3.957,38 4.766,39 4.923,40 4.211,41 3.897,42 6.213,43 3.869,44 4.717,45 4.88,46 4.152,47 3.857,48 6.21,49 3.81,50 4.571,51 4.722,52 4.091,53 3.724,54 6.149,55 3.674,56 0.347,57 0.744,58 6.409,59 4.357,60 37.96,61 3.962,62 0.81,63 1.13,64 20.985,65 7.307,66 84.989,67 7.21,68 0.899,69 1.232,70 19.1,71 7.803,72 105.655,73 7.146,74 1.077,75 1.294,76 24.06,77 9.028,78 129.565,79 8.386,80 1.481,81 1.275,82 26.599,83 9.125,84 225.096,85 8.296,86 1.303,87 1.253,88 26.442,89 8.876,90 161.755,91 8.634,92 1.258,93 1.191,94 32.895,95 9.596,96 164.392,97 9.37,98 1.065,99 1.041,100 25.17,101 8.171,102 182.257,103 7.523,104 79,105 46,106 0.343,107 0.747,108 0.894,109 0.894,110 0.894,111 0.894,112 3.441,113 0.969,114 -1.45,115 -1.53,116 -1.58,117 34,118 1,122 1,123 2,125 1,126 1,129 1,131 1,137 1,142 1,146 1,147 4,151 1,152 1,153 1,154 1,155 1,156 1,159 1,163 2,164 6,165 1,166 1,167 3,169 1,172 1,173 1,174 1,175 3,176 1,179 4,181 2,187 4,188 5,189 2,191 2,196 1,197 1,202 4,203 4,205 1,206 3,208 3,209 1,215 4,216 3,217 1,218 2,219 3,220 2,223 1,224 1,225 1,227 5,228 4,229 1,231 2,233 1,239 2,240 4,241 1,243 1,247 1,251 2,252 2,253 2,254 2,255 4,257 2,262 1,264 1478,265 19.629,266 19.629,267 19.629,268 19.629,269 19.629,270 17.928,271 21.959,272 11.448,273 20.376,274 15.716,275 15.716,276 15.716,277 15.716,278 15.716,279 12.887,280 19.781,281 5.304,282 16.912,283 3.548,284 1.187,285 0.33,286 0.33,287 0.33,288 0.33,289 4.111,293 1,294 717,295 4.583,296 62.102,297 93.982,298 94.062,300 128.679,303 1.862,304 58.841,307 0.75,308 0.67,309 0.83,310 0.7,311 0.5,312 0.67,313 0.5,314 0.66,315 69.5,316 347,317 4.611,318 4.612,319 7.226,320 4.385,321 3.442,322 3.956,323 3.435,324 12.763,325 3.244,326 4.372,327 4.017,328 6.479,329 3.975,330 3.011,331 3.923,332 2.455,333 10.05,334 2.908,335 4.068,336 3.799,337 6.356,338 3.743,339 2.765,340 3.333,341 2.373,342 9.53,343 2.697,344 3.801,345 3.653,346 5.347,347 3.292,348 2.396,349 3.184,350 1.984,351 6.74,352 2.14,353 3.549,354 3.595,355 5.147,356 3.195,357 2.232,358 2.709,359 1.437,360 5.871,361 2.115,362 3.252,363 3.47,364 4.958,365 2.92,366 1.955,367 2.324,368 1.071,369 5.139,370 1.869,371 3.126,372 2.999,373 4.814,374 2.707,375 1.773,376 2.238,377 1.048,378 5.043,379 1.624,380 2.856,381 2.742,382 4.602,383 2.498,384 1.572,385 1.831,386 0.631,387 4.548,388 1.41,389 2.725,390 2.559,391 4.576,392 2.326,393 1.398,394 1.708,395 0.182,396 4.078,397 1.285,398 2.463,399 2.12,400 3.857,401 2.221,402 1.263,403 1.403,404 0.035,405 2.845,406 1.194,407 2.198,408 1.987,409 3.537,410 1.699,411 0.789,412 1.063,414 1.855,415 0.691,416 2.049,417 1.75,418 3.27,419 1.56,420 0.725,421 0.885,423 1.71,424 0.588,425 1.788,426 1.205,427 3.115,428 1.492,429 0.59,430 0.663,432 1.365,433 0.521,434 1.7,435 1.203,436 2.94,437 1.258,438 0.351,439 0.447,441 0.696,442 0.313,443 0.915,444 0.697,445 2.558,446 0.616,447 -0.296,448 -0.319,450 -0.743,451 -0.261,452 14,453 0.467,454 0.933,455 0.031,456 34,457 1.133,458 13.5,459 0.45,460 20.5,461 0.683,462 28.899,463 0.963,464 34,465 0.723,466 29.825,467 0.994,468 6.774,469 0.226,470 7.465,471 0.249,472 0.219,474 0.421,476 0.825,477 1.278,478 0.699,479 0.914,480 0.683,481 0.85,482 0.753,483 1.252,484 1.009,485 1.122,486 0.522,487 0.87,488 1.02,489 1.014,490 1.034,491 0.987,492 1.021,493 0.991,494 1.032,495 1.114,496 0.947,497 1.118,498 1.102,499 1.015,500 1.122,501 1.148,502 0.802,503 1.043,504 1.243,505 0.984,506 1.093,507 0.865,508 1.01,509 0.889,510 1.212,511 0.999,512 0.957,513 0.93,514 1.244,515 1.124,516 0.92,517 0.992,518 1.048,519 1.155,520 0.973,521 1.037,522 1.104,523 1.1,524 6.5,525 0.191,526 3.778,527 3.347,528 2.169,529 1.671,530 0.949,531 0.644,532 0.421,533 0.277,534 10633,535 45088,536 1.955,537 36.2,539 8,540 2,542 4,543 3,547 1.731,548 1.765,549 3.473,550 1.829,555 94.318,556 2.007,557 4.368,558 5.225,559 5.225,560 5.225,561 5.225,562 2.978,563 4.482,564 4.875,565 3.662,566 1593.18,567 8.523,568 22023.2,573 261.066,574 1.566,575 4.796,576 0.203,577 0.008,578 0.086,579 0.073,580 0.043,581 0.034,582 0.023,583 0.017,584 0.013,585 0.011,586 0.511,587 0.17,588 0.88,589 1.428,590 153.806,591 -0.121,592 -0.08,593 0.023,594 0.067,595 -0.089,596 0.044,597 0.071,598 -0.127,599 0.028,600 0.002,601 0.136,602 0.106,603 -0.14,604 0.099,605 -0.168,606 -0.012,607 -0.145,608 -0.089,609 -0.06,610 -0.074,611 -0.037,612 -0.135,613 -0.116,614 -0.086,615 0.031,616 -0.198,617 0.107,618 -0.112,619 0.018,620 -0.07,621 -0.076,622 0.117,623 -0.072,624 0.041,625 -0.134,626 -0.056,627 0.03,628 0.061,629 -0.099,630 -0.026,631 0.082,632 0.027,633 -0.05,634 -0.183,635 0.037,636 -0.03,637 0.048,638 -0.117,639 2.986,640 5.659,641 0.433,642 31.436,643 1.048,644 1.134,645 0.218,646 0.047,647 0.682,648 3.497,649 3.85,650 4.143,651 4.431,652 4.625,653 4.745,654 4.89,655 4.913,656 4.977,657 5.004,658 6.841,659 0.673,660 455.52,661 3.497,662 5.056,663 5.922,664 6.832,665 7.731,666 8.65,667 9.564,668 10.49,669 11.412,670 12.342,671 10.6,675 1,678 2,680 1,681 1,687 1,688 1,691 1,692 2,694 5,695 1,700 1,707 47,708 1,709 11,711 32,712 49,713 16,714 3,717 5,718 3,719 4,723 1,726 1,728 1,730 10,731 6,734 6,738 4,740 1,741 7,744 1,747 17,748 12,749 4,750 14,751 2,753 5,758 0.667,759 7,770 1,771 1,772 1,774 1,779 1,780 1,781 1,782 1,783 1,784 1,789 1,791 2,792 1,793 2,794 2,797 30,798 1,801 1,802 2,803 1,804 2,805 1,806 2,807 1,810 1,815 14.9,817 1,818 4,820 2,822 17,823 8.967,824 6.667,825 2.351,827 1.237,828 1.167,829 0.911,830 7.127,831 8.649,832 3.726,833 4.252,834 4.717,835 5.168,836 5.43,837 5.609,838 5.833,839 5.82,840 5.934,841 6.092,842 0.875,843 46,844 11.205,846 4.987,847 8.361,848 19.918,850 16.017,853 2.861,854 85.833,858 153.024,859 125.814,860 90.218,862 165.482,864 63.497,865 62.316,866 318.506,867 90.218,868 19.708,869 26.627,870 40.546,871 183.073,872 48.062,873 23.542,874 192.979,876 153.024,877 152.534,878 165.482,879 63.497,880 153.024,881 165.482,884 58.11,885 74.882,886 19.542,887 63.497,888 153.024,889 255.699,890 125.814,893 153.024,894 98.456,895 30.482,896 18.011,897 234.564,898 153.024,899 255.699,900 125.814,901 0.584,902 0.339,903 0.192,904 0.109,905 21,906 12,907 0.163,908 8,909 1,910 1.154,911 3.952,912 264.677,913 0.154,914 13,915 147.207,916 2,918 22.68,919 9.428,920 4.694,922 255.699,923 1.517,924 3.98,927 1.107,928 0.415,930 93.591,931 534.537,932 40.5,936 48.045,938 3.654,939 -3.306,941 49.255,942 53.289,943 0.361,944 0.786,945 0.941,946 0.941,947 0.941,948 0.941,949 5.006,950 1.572,951 5.943,952 5.043,953 4.533,954 4.938,955 4.124,956 6.823,957 4.403,958 6.216,959 1.398,960 7.549,961 4.548,962 4.29,963 4.868,964 2.619,965 7.892,966 4.169,967 7.544,968 1.263,969 9.259,970 4.078,971 6.201,972 7.018,973 6.05,974 11.08,975 5.97,976 8.905,977 0.789,978 11.031,979 2.845,980 6.781,981 7.746,982 4.563,983 13.024,984 6.548,985 10.299,986 0.725,987 12.845,988 1.855,989 8.209,990 9.406,991 8.291,992 15.756,993 7.891,994 11.715,995 0.59,996 14.69,997 1.71,998 9.148,999 10.477,1000 6.4,1001 18.049,1002 8.804,1003 13.149,1004 0.351,1005 16.557,1006 1.365,1007 10.415,1008 11.955,1009 10.656,1010 20.638,1011 10.001,1012 3.442,1013 -0.296,1014 18.443,1015 0.696,1016 11.508,1017 13.181,1018 8.225,1019 23.071,1020 11.051,1021 3.011,1022 12.763,1023 20.342,1024 -0.743,1025 12.726,1026 14.588,1027 13.076,1028 25.618,1029 12.205,1030 2.765,1031 10.05,1032 22.254,1033 3.956,1034 13.887,1035 15.886,1036 10.09,1037 28.111,1038 13.312,1039 2.396,1040 9.53,1041 24.174,1042 3.923,1043 15.095,1044 17.266,1045 15.521,1046 30.648,1047 14.458,1048 2.232,1049 6.74,1050 26.102,1051 3.333,1052 16.286,1053 18.598,1054 12.042,1055 33.167,1056 15.59,1057 1.955,1058 5.871,1059 28.037,1060 3.184,1061 17.496,1062 19.968,1063 17.978,1064 35.705,1065 16.738,1066 1.773,1067 5.139,1068 29.976,1069 2.709,1070 18.703,1071 21.318,1072 14.129,1073 38.237,1074 17.883,1075 10696,1076 22137,1077 20.115,1078 32.074,1079 49.681,1080 54.782,1081 51.943,1082 48.381,1083 48.525,1084 59.335,1085 29.302,1086 144.468,1087 45.2,1088 5.611,1089 6.535,1090 6.984,1091 5.544,1092 5.442,1093 6.637,1094 6.869,1095 20.763,1096 5.151,1097 20.411,1098 1.553,1099 1.712,1100 1.623,1101 1.512,1102 1.516,1103 1.854,1104 0.916,1105 4.515,1106 1.412,1107 3.997,1108 4.023,1109 4.22,1110 3.886,1111 7.475,1112 3.871,1113 3.86,1114 3.881,1115 4.1,1116 3.818,1117 7.436,1118 3.763,1119 3.636,1120 3.658,1121 3.615,1122 3.443,1123 7.431,1124 3.463,1125 3.502,1126 3.525,1127 3.514,1128 3.265,1129 7.423,1130 3.288,1131 3.407,1132 3.437,1133 3.392,1134 3.187,1135 6.351,1136 3.204,1137 3.206,1138 3.258,1139 3.359,1140 2.988,1141 5.165,1142 2.969,1143 3.196,1144 3.201,1145 3.049,1146 2.897,1147 4.902,1148 2.907,1149 2.912,1150 3.005,1151 2.948,1152 2.725,1153 4.519,1154 2.687,1155 0.144,1156 0.144,1157 0.226,1158 0.137,1159 0.108,1160 4.611,1161 0.124,1162 4.612,1163 0.107,1164 7.226,1165 0.399,1166 4.385,1167 0.101,1168 3.442,1169 3.956,1170 3.435,1171 12.763,1172 3.244,1173 1.886,1174 1.863,1175 1.934,1176 2.051,1177 1.305,1178 2.033,1179 1.615,1180 1.592,1181 1.734,1182 1.83,1183 0.966,1184 1.792,1185 1.496,1186 1.471,1187 1.662,1188 1.742,1189 0.701,1190 1.712,1191 1.379,1192 1.344,1193 1.604,1194 1.615,1195 0.688,1196 1.605,1197 1.305,1198 1.285,1199 1.511,1200 1.537,1201 0.567,1202 1.533,1203 1.181,1204 1.1,1205 1.335,1206 1.462,1207 0.487,1208 1.491,1209 1.038,1210 1.035,1211 1.225,1212 1.376,1213 0.331,1214 1.325,1215 1.001,1216 0.963,1217 1.174,1218 1.259,1219 0.145,1220 1.249,1221 4.174,1222 5.549,1223 2.398,1224 7.124,1225 4.595,1226 8.805,1227 6.555,1228 10.552,1229 2.458,1232 5.584,1233 9.548,1234 -0.009,1235 2.544,1236 9.567,1237 1.246,1238 -1.594,1239 1.078,1243 31.646,1244 94.318,1245 205.291,1246 245.556,1247 245.556,1248 245.556,1249 245.556,1250 98.858,1251 7.412,1252 173.51,1253 227.05,1254 15,1255 12.846,1256 3.585,1257 3.248,1258 55.189,1259 123,1260 122,1261 0.224,1262 202.856,1263 369.81,1264 486.728,1265 14795,1267 21.999,1268 0.733,1269 0.58,1270 22.706,1271 17.411,1272 14.239,1273 0.445,1274 0.323,1275 8.354,1276 12.363,1277 7.987,1278 6.56,1279 15.148,1280 10.338,1281 13.238,1282 0.288,1283 0.176,1284 14.4,1285 8.087,1286 10.409,1287 0.168,1288 0.099,1289 11.73,1290 6.162,1291 8.874,1292 0.107,1293 0.056,1294 10.372,1295 4.685,1296 7.084,1297 0.07,1298 0.033,1299 8.599,1300 3.326,1301 0.349,1302 101.58,1303 0.223,1304 28.172,1305 0.622,1306 156,1307 652.864,1308 229.163,1309 642.14,1310 834.53,1311 594,1312 186,1313 553.947,1314 250.747,1315 572.302,1316 840.33,1317 532,1318 6.538}
{0 CHEMBL1144,1 1.35,2 11.567,3 2.132,4 4.544,5 113.597,6 6.433,8 4.245,9 4.359,10 3.632,11 3.702,12 5.3,13 3.661,14 4.845,15 5.019,16 4.014,17 4.139,18 5.915,19 4.06,20 5.243,21 5.465,22 4.121,23 4.356,24 6.202,25 4.249,26 5.359,27 5.595,28 4.189,29 4.396,30 6.458,31 4.279,32 5.36,33 5.6,34 4.103,35 4.387,36 6.32,37 4.266,38 5.34,39 5.583,40 4.157,41 4.396,42 6.426,43 4.269,44 5.382,45 5.634,46 4.082,47 4.392,48 6.386,49 4.253,50 5.358,51 5.616,52 3.915,53 4.331,54 6.314,55 4.169,56 0.093,57 0.836,58 16.067,59 7.04,60 27.902,61 9.19,62 0.369,63 1.378,64 29.667,65 11.755,66 78.858,67 16.077,68 0.6,69 1.808,70 44.864,71 15.39,72 118.674,73 21.752,74 1.061,75 1.93,76 50.972,77 16.493,78 187.048,79 23.762,80 0.854,81 1.911,82 50.934,83 16.259,84 152.77,85 23.34,86 0.881,87 1.928,88 49.522,89 16.564,90 174.748,91 23.918,92 0.848,93 1.949,94 51.718,95 16.724,96 158.486,97 24.323,98 0.828,99 1.861,100 50.508,101 16.003,102 158.72,103 23.441,104 101,105 43,106 0.22,107 0.514,108 0.771,109 0.898,110 0.918,111 0.918,112 3.44,113 1.063,114 -3.28,115 -3.27,116 -3.14,117 34.8,118 3,119 6,120 4,125 4,128 3,129 1,147 2,156 1,159 1,160 13,161 1,163 1,164 5,167 1,169 7,172 19,176 6,181 2,182 1,184 16,185 1,188 9,191 2,192 2,193 6,196 14,203 5,208 5,209 1,211 15,212 1,216 5,219 2,220 1,221 8,224 14,225 1,228 5,231 1,233 10,236 18,237 1,240 1,245 5,247 13,248 2,252 4,255 2,256 1,257 7,260 7,261 3,264 1660,265 19.231,266 19.231,267 19.231,268 19.231,269 19.231,270 18.556,271 23.239,272 11.231,273 19.45,274 15.193,275 15.193,276 15.193,277 15.193,278 15.193,279 13.982,280 23.627,281 5.25,282 15.567,283 4.694,284 2.883,285 1.303,286 0.519,287 0.398,288 0.398,289 4.099,292 1,293 1,294 694,295 4.899,298 168.32,302 144.277,303 1.738,304 53.383,307 1,308 0.83,309 0.83,310 1,311 1,312 0.83,313 0.5,314 0.86,315 67,316 347,317 4.363,318 3.817,319 6.899,320 4.231,321 3.244,322 3.571,323 2.443,324 11.578,325 3.205,326 3.902,327 3.613,328 5.924,329 3.705,330 2.719,331 3.073,332 2.341,333 8.17,334 2.668,335 3.697,336 3.428,337 5.753,338 3.57,339 2.6,340 2.809,341 0.765,342 7.631,343 2.514,344 3.616,345 2.831,346 5.371,347 3.483,348 2.5,349 2.679,350 0.286,351 7.023,352 2.45,353 3.373,354 2.729,355 5.204,356 3.181,357 2.203,358 2.413,360 6.218,361 2.135,362 3.31,363 2.483,364 4.984,365 3.032,366 2.066,367 2.358,369 5.699,370 1.99,371 2.99,372 2.271,373 4.855,374 2.934,375 1.962,376 1.99,378 5.598,379 1.895,380 2.861,381 2.232,382 4.369,383 2.678,384 1.712,385 1.849,387 4.146,388 1.633,389 2.709,390 1.939,391 4.171,392 2.461,393 1.493,394 1.666,396 3.871,397 1.431,398 2.465,399 1.703,400 3.855,401 2.199,402 1.193,403 1.364,405 2.834,406 1.185,407 1.891,408 0.888,409 3.315,410 1.656,411 0.672,412 0.742,414 1.601,415 0.658,416 1.529,417 0.741,418 2.949,419 1.198,420 0.219,421 0.256,423 0.456,424 0.213,425 1.195,426 0.638,427 2.769,428 1.116,429 0.117,430 0.13,432 0.186,433 0.116,434 0.973,435 0.347,436 2.631,437 0.805,438 -0.187,439 -0.198,441 -0.518,442 -0.183,443 0.863,444 0.238,445 2.439,446 0.645,447 -0.326,448 -0.356,450 -0.834,451 -0.311,452 13.833,453 0.461,454 0.97,455 0.032,456 23.5,457 0.783,458 6,459 0.2,460 17.5,461 0.583,462 40.671,463 1.356,464 37.167,465 0.563,466 19.299,467 0.643,468 3.869,469 0.129,470 10.247,471 0.342,472 0.253,474 0.398,476 0.868,477 1.296,478 0.984,479 1.281,480 0.85,481 1.173,482 0.625,483 1.301,484 0.938,485 1.298,486 0.562,487 1.202,488 1.018,489 1.102,490 1.046,491 1.1,492 0.924,493 1.082,494 0.865,495 1.043,496 0.97,497 1.046,498 0.757,499 1.033,500 1.151,501 0.971,502 1.074,503 0.973,504 1.045,505 1.002,506 0.768,507 1.074,508 0.937,509 1.077,510 0.703,511 1.048,512 0.941,513 1.029,514 1.01,515 1.033,516 1.006,517 1.036,518 1.038,519 1.032,520 1.109,521 1.044,522 1.046,523 1.087,524 8,525 0.235,526 3.556,527 2.75,528 1.769,529 1.222,530 1.04,531 0.608,532 0.452,533 0.272,534 9961,535 28641,536 1.885,537 54.5,538 15,539 7,542 4,543 3,544 3,545 4,547 1.733,548 1.698,549 3.459,550 1.598,552 1,555 89.119,556 1.35,557 3.162,558 4.741,559 5.525,560 5.646,561 5.646,562 2.915,563 4.282,564 4.872,565 3.654,566 1589.7,567 8.532,568 22182.1,573 398.93,574 1.58,575 4.788,576 0.258,577 0.01,578 0.083,579 0.06,580 0.038,581 0.028,582 0.023,583 0.014,584 0.013,585 0.009,586 0.536,587 0.17,588 0.88,589 2.217,590 153.946,591 -0.092,592 0.077,593 -0.014,594 0.076,595 -0.106,596 0.052,597 0.114,598 -0.076,599 0.012,600 -0.078,601 0.106,602 -0.058,603 -0.107,604 -0.031,605 -0.071,606 -0.031,607 -0.1,608 -0.042,609 0.086,610 -0.025,611 0.01,612 -0.029,613 0.088,614 -0.027,615 -0.146,616 0.032,617 -0.084,618 0.028,619 -0.122,620 -0.009,621 0.079,622 -0.045,623 0.021,624 -0.045,625 0.113,626 -0.027,627 -0.047,628 -0.034,629 -0.045,630 -0.034,631 -0.058,632 -0.038,633 -0.124,634 -0.057,635 -0.143,636 -0.066,637 -0.122,638 -0.103,639 2.762,640 5.43,641 0.333,642 31.778,643 1.003,644 1.135,645 2.054,646 4.221,647 0.604,648 3.466,649 3.784,650 3.97,651 4.22,652 4.419,653 4.564,654 4.644,655 4.682,656 4.745,657 4.635,658 6.844,659 0.568,660 424.59,661 3.466,662 5.004,663 5.826,664 6.703,665 7.553,666 8.441,667 9.306,668 10.2,669 11.076,670 11.974,707 66,709 4,711 31,712 67,713 23,717 4,718 2,719 3,723 3,726 3,727 3,728 10,730 6,731 17,732 4,734 4,738 2,739 3,741 3,747 36,748 7,749 4,750 7,758 0.5,759 7,761 3,772 2,776 1,781 1,782 1,783 3,784 1,789 4,791 1,794 3,797 30,801 4,802 6,804 1,806 8,815 10.6,816 3,817 1,818 2,820 1,822 17.667,823 11.717,824 6.722,825 4.306,827 0.859,828 1.119,829 0.811,830 9.388,831 8.056,832 3.584,833 3.97,834 4.248,835 4.575,836 4.883,837 5.112,838 5.283,839 5.434,840 5.583,841 5.537,842 0.875,843 46,844 11.349,846 4.963,847 8.106,848 21.317,850 18.009,853 2.606,854 78.167,858 376.675,859 81.398,862 232.023,865 81.398,866 608.698,868 26.476,869 15.207,870 156.479,871 101.074,872 14.185,874 376.675,876 376.675,877 81.398,878 232.023,880 294.278,881 186.371,882 128.05,884 41.683,885 11.287,886 28.429,888 376.675,889 232.023,890 81.398,893 376.675,894 26.494,895 54.904,897 232.023,898 376.675,899 232.023,900 81.398,901 0.582,902 0.321,903 0.167,904 0.087,905 17,906 11,907 0.164,908 11,909 1,910 1.2,911 3.879,912 253.166,913 0.2,914 10,915 147.207,918 24.902,919 11.311,920 7.094,922 232.023,930 170.733,931 690.097,932 35,936 23.13,937 5.885,939 -0.393,941 66.196,942 74.939,943 0.223,944 0.523,945 0.784,946 0.914,947 0.934,948 0.934,949 4.868,950 1.712,951 5.838,952 5.598,953 4.466,954 4.654,955 3.034,956 6.642,957 4.418,958 6.019,959 1.493,960 7.403,961 4.146,962 4.205,963 4.443,964 2.882,965 7.567,966 4.123,967 7.29,968 1.193,969 9.065,970 3.871,971 6.057,972 6.45,973 4.43,974 10.657,975 5.972,976 8.581,977 0.672,978 10.782,979 2.834,980 6.524,981 6.957,982 4.879,983 12.421,984 6.415,985 9.901,986 0.219,987 12.537,988 1.601,989 7.922,990 8.522,991 6.046,992 15.084,993 7.809,994 11.241,995 0.117,996 14.319,997 0.456,998 8.737,999 9.376,1000 6.725,1001 17.244,1002 8.609,1003 12.597,1004 -0.187,1005 16.125,1006 0.186,1007 9.966,1008 10.766,1009 7.737,1010 19.761,1011 9.832,1012 3.244,1013 -0.326,1014 17.95,1015 -0.518,1016 10.956,1017 11.803,1018 8.518,1019 22.094,1020 10.81,1021 2.719,1022 11.578,1023 19.791,1024 -0.834,1025 12.125,1026 13.117,1027 9.461,1028 24.563,1029 11.972,1030 2.6,1031 8.17,1032 21.646,1033 3.571,1034 13.202,1035 14.254,1036 10.291,1037 26.966,1038 13.039,1039 2.5,1040 7.631,1041 23.512,1042 3.073,1043 14.355,1044 15.537,1045 11.201,1046 29.42,1047 14.185,1048 2.203,1049 7.023,1050 25.39,1051 2.809,1052 15.475,1053 16.729,1054 12.055,1055 31.851,1056 15.296,1057 2.066,1058 6.218,1059 27.276,1060 2.679,1061 16.629,1062 18,1063 12.949,1064 34.301,1065 16.441,1066 1.962,1067 5.699,1068 29.169,1069 2.413,1070 17.772,1071 19.224,1072 13.816,1073 36.743,1074 17.575,1075 10379,1076 17665,1077 19.016,1078 39.887,1079 46.45,1080 47.421,1081 48.717,1082 45.556,1083 45.401,1084 49.799,1085 11.669,1086 130.023,1087 44.19,1088 5.337,1089 5.769,1090 6.443,1091 5.282,1092 5.244,1093 6.172,1094 4.174,1095 18.783,1096 5.205,1097 21.805,1098 1.498,1099 1.53,1100 1.572,1101 1.47,1102 1.465,1103 1.606,1104 0.376,1105 4.194,1106 1.425,1107 4.033,1108 4.065,1109 3.95,1110 3.952,1111 7.474,1112 3.946,1113 3.781,1114 3.817,1115 3.669,1116 3.628,1117 7.432,1118 3.629,1119 3.748,1120 3.792,1121 3.637,1122 3.603,1123 6.463,1124 3.6,1125 3.613,1126 3.659,1127 3.486,1128 3.474,1129 6.449,1130 3.468,1131 3.506,1132 3.547,1133 3.381,1134 3.334,1135 6.436,1136 3.335,1137 3.297,1138 3.337,1139 3.171,1140 3.111,1141 6.35,1142 3.116,1143 3.215,1144 3.278,1145 3.055,1146 2.989,1147 4.618,1148 2.983,1149 3.134,1150 3.213,1151 2.935,1152 2.94,1153 4.357,1154 2.926,1155 0.141,1156 0.123,1157 0.223,1158 0.136,1159 0.105,1160 4.363,1161 0.115,1162 3.817,1163 0.079,1164 6.899,1165 0.373,1166 4.231,1167 0.103,1168 3.244,1169 3.571,1170 2.443,1171 11.578,1172 3.205,1173 2.002,1174 1.972,1175 2.146,1176 2.106,1177 1.539,1178 2.12,1179 1.749,1180 1.708,1181 1.973,1182 1.935,1183 1.297,1184 1.942,1185 1.724,1186 1.677,1187 1.948,1188 1.901,1189 1.229,1190 1.919,1191 1.603,1192 1.557,1193 1.831,1194 1.783,1195 1.145,1196 1.799,1197 1.474,1198 1.428,1199 1.721,1200 1.686,1201 0.975,1202 1.694,1203 1.254,1204 1.208,1205 1.605,1206 1.5,1207 0.703,1208 1.528,1209 1.204,1210 1.124,1211 1.489,1212 1.445,1213 0.695,1214 1.453,1215 1.139,1216 1.064,1217 1.461,1218 1.379,1219 0.629,1220 1.417,1221 4.143,1222 5.46,1224 6.954,1226 8.545,1228 10.197,1229 5.849,1233 39.066,1234 1.724,1236 5.836,1238 -2.93,1243 37.486,1244 89.119,1245 208.664,1246 312.917,1247 364.665,1248 372.665,1249 372.665,1250 138.949,1251 7.197,1252 124.29,1253 124.29,1254 12,1255 12.503,1256 2.322,1257 2.322,1258 68.906,1259 118,1260 138,1261 0.28,1262 232.872,1263 432.71,1264 559.967,1265 12136,1267 22.422,1268 0.747,1269 0.604,1270 22.422,1271 18.107,1272 14.116,1273 0.455,1274 0.354,1275 10.857,1276 13.569,1277 10.558,1278 8.734,1279 14.116,1280 10.982,1281 13.144,1282 0.306,1283 0.207,1284 13.144,1285 8.881,1286 9.678,1287 0.186,1288 0.124,1289 9.678,1290 6.443,1291 7.934,1292 0.118,1293 0.067,1294 7.934,1295 4.52,1296 5.713,1297 0.07,1298 0.04,1299 5.713,1300 3.281,1301 0.436,1302 88.978,1303 0.229,1304 28.202,1305 0.779,1306 148,1307 449.805,1308 165.271,1309 415.123,1310 527.87,1311 382,1312 169,1313 348.485,1314 182.953,1315 344.913,1316 500.97,1317 325,1318 4.863}
{0 CHEMBL1146,1 1.957,2 12.258,3 0.542,4 0.294,5 118.086,6 9.44,7 0.324,8 4.043,9 4.137,10 3.857,11 3.593,12 5.3,13 3.573,14 4.534,15 4.66,16 4.241,17 3.976,18 5.834,19 3.929,20 4.734,21 4.873,22 4.358,23 4.116,24 6.06,25 4.045,26 4.872,27 5.038,28 4.357,29 4.114,30 6.136,31 4.042,32 4.845,33 4.987,34 4.373,35 3.984,36 6.401,37 3.967,38 4.761,39 4.951,40 4.194,41 3.909,42 6.102,43 3.861,44 4.635,45 4.795,46 4.19,47 3.877,48 5.987,49 3.847,50 4.656,51 4.827,52 4.093,53 3.822,54 6.203,55 3.788,56 0.27,57 0.818,58 7.211,59 4.605,60 29.636,61 4.452,62 0.572,63 1.292,64 21.109,65 8.051,66 61.554,67 8.176,68 0.776,69 1.449,70 21.985,71 9.733,72 92.709,73 10.243,74 0.893,75 1.539,76 38.892,77 12.29,78 112.357,79 11.204,80 1.254,81 1.359,82 28.92,83 10.183,84 206.537,85 9.114,86 1.066,87 1.319,88 33.489,89 9.818,90 138.596,91 10.199,92 0.78,93 1.268,94 22.504,95 7.771,96 84.698,97 8.045,98 0.982,99 1.181,100 28.251,101 8.889,102 132.435,103 9.168,104 38,105 49,106 0.329,107 0.714,108 0.831,109 0.878,110 0.887,111 0.887,112 3.472,113 0.988,114 -3.11,115 -3.11,116 -2.99,117 36.7,122 1,123 2,125 2,126 1,129 1,131 1,133 5,134 1,147 3,151 1,155 3,156 1,159 1,160 6,163 4,164 4,165 1,167 2,169 1,172 8,173 1,175 1,176 4,179 4,180 1,181 5,184 3,188 7,189 1,193 4,196 1,197 2,202 3,203 7,206 1,208 6,209 1,215 2,216 6,217 2,219 3,220 1,221 2,224 1,227 4,228 7,229 3,231 2,233 1,236 2,239 5,240 4,243 3,245 1,246 1,247 3,248 1,251 2,252 4,255 3,256 1,257 1,260 3,261 2,264 1643,265 20.673,266 20.673,267 20.673,268 20.673,269 20.673,270 18.608,271 20.106,272 11.957,273 21.244,274 16.708,275 16.708,276 16.708,277 16.708,278 16.708,279 13.507,280 18.898,281 5.595,282 17.686,283 3.658,284 1.371,285 0.676,286 0.398,287 0.342,288 0.342,289 4.159,292 1,293 1,294 817,295 4.062,296 62.757,297 93.787,298 206.289,300 127.999,303 2.154,304 52.35,307 0.75,308 0.67,309 0.83,310 0.7,311 0.5,312 0.67,313 0.5,314 0.66,315 70,316 380,317 4.61,318 4.622,319 7.226,320 4.384,321 3.442,322 3.936,323 3.454,324 12.763,325 3.243,326 4.199,327 4.45,328 6.406,329 3.921,330 2.938,331 3.811,332 3.264,333 9.694,334 2.879,335 4.176,336 3.86,337 6.299,338 3.754,339 2.832,340 3.608,341 2.193,342 9.28,343 2.693,344 4.04,345 3.754,346 6.033,347 3.684,348 2.727,349 3.299,350 1.98,351 8.584,352 2.519,353 3.553,354 3.601,355 5.225,356 3.142,357 2.14,358 2.836,359 1.437,360 6.119,361 2.137,362 3.28,363 3.134,364 5.053,365 2.973,366 2.023,367 2.356,368 0.89,369 5.618,370 1.902,371 2.915,372 2.801,373 4.902,374 2.526,375 1.606,376 2.045,377 0.806,378 4.728,379 1.5,380 2.858,381 2.757,382 4.736,383 2.504,384 1.553,385 1.846,386 0.419,387 4.304,388 1.411,389 2.719,390 2.431,391 4.132,392 2.31,393 1.395,394 1.757,395 0.124,396 3.639,397 1.264,398 2.559,399 1.996,400 3.827,401 2.228,402 1.274,403 1.582,405 3.105,406 1.183,407 2.5,408 1.862,409 3.564,410 2.09,411 1.122,412 1.5,414 2.429,415 1.081,416 2.469,417 1.804,418 3.432,419 2,420 1,421 1.44,423 2.136,424 1,425 2.097,426 1.334,427 3.247,428 1.737,429 0.805,430 0.956,432 2.012,433 0.728,434 1.881,435 1.189,436 3.24,437 1.516,438 0.612,439 0.704,441 1.469,442 0.533,443 1.753,444 1.15,445 3.196,446 1.379,447 0.466,448 0.571,450 1.148,451 0.415,452 14.733,453 0.475,454 0.878,455 0.028,456 36.75,457 1.185,458 16.5,459 0.532,460 20.25,461 0.653,462 29.489,463 0.951,464 33.867,465 0.691,466 30.017,467 0.968,468 7.065,469 0.228,470 7.815,471 0.252,472 0.147,474 0.394,476 0.761,477 1.057,478 0.694,479 0.836,480 0.685,481 0.819,482 0.605,483 1.181,484 1.111,485 1.232,486 0.549,487 1.003,488 0.72,489 1.062,490 0.915,491 1.057,492 0.811,493 1.071,494 1.224,495 1.09,496 1.268,497 1.242,498 1.168,499 1.081,500 1.385,501 1.062,502 0.937,503 1.036,504 1.505,505 1.028,506 1.066,507 0.914,508 1.007,509 0.965,510 1.185,511 0.861,512 1.013,513 1.1,514 0.954,515 1.015,516 1.071,517 0.978,518 0.919,519 0.974,520 1.1,521 1.057,522 0.9,523 0.946,524 5.5,525 0.136,526 4.222,527 3.382,528 1.961,529 1.42,530 0.811,531 0.704,532 0.501,533 0.269,534 13173,535 47229,536 2.046,537 36.7,539 14,540 1,542 3,547 1.737,548 1.879,549 3.551,550 1.036,552 1,555 95.884,556 1.957,557 4.243,558 4.939,559 5.217,560 5.273,561 5.273,562 3.127,563 4.632,564 4.921,565 3.768,566 1752.08,567 8.602,568 25066.6,573 275.121,574 1.514,575 4.866,576 0.162,577 0.006,578 0.09,579 0.069,580 0.042,581 0.032,582 0.02,583 0.017,584 0.013,585 0.01,586 0.459,587 0.33,588 0.75,589 0.778,590 161.616,591 -0.06,592 0.107,593 0.031,594 0.109,595 -0.074,596 0.055,597 0.125,598 -0.031,599 -0.073,600 -0.108,601 0.089,602 -0.045,603 0.112,604 -0.02,605 0.033,606 -0.02,607 0.033,608 -0.093,609 -0.23,610 -0.08,611 -0.108,612 -0.111,613 -0.147,614 -0.072,615 -0.075,616 -0.139,617 0.042,618 -0.064,619 -0.039,620 -0.097,621 0.009,622 0.029,623 0.08,624 0.058,625 -0.059,626 0.149,627 -0.03,628 -0.065,630 -0.051,631 -0.082,632 -0.049,633 0.173,635 -0.048,636 -0.042,637 0.225,638 0.029,639 2.876,640 5.714,641 0.613,642 34.968,643 1.035,644 1.13,645 1.884,646 3.549,647 0.697,648 3.555,649 3.912,650 4.234,651 4.477,652 4.654,653 4.754,654 4.927,655 5.017,656 5.106,657 5.182,658 7.284,659 0.678,660 462.56,661 3.555,662 5.118,663 5.994,664 6.895,665 7.793,666 8.702,667 9.612,668 10.528,669 11.445,670 12.368,671 12.2,678 2,679 1,681 3,687 5,688 3,692 2,693 1,694 11,707 49,708 1,709 15,710 1,711 34,712 52,713 18,714 7,715 1,716 5,717 3,718 4,719 5,726 1,728 2,730 12,731 6,734 4,738 3,741 5,744 1,747 18,748 10,749 3,750 13,751 2,753 6,758 0.75,759 5,761 1,770 1,771 1,772 2,774 1,779 1,780 1,781 1,783 1,784 1,789 2,791 3,792 2,793 2,794 1,797 31,801 2,802 2,803 1,805 2,806 3,807 1,815 10.2,816 1,817 1,818 3,822 16.5,823 8.9,824 6.778,825 2.585,827 1.906,828 1.245,829 0.915,830 6.458,831 9.669,832 3.795,833 4.341,834 4.837,835 5.273,836 5.54,837 5.573,838 5.889,839 6.116,840 6.289,841 6.517,842 1,843 49,844 11.611,846 5.262,847 8.172,848 21.102,850 17.604,853 2.672,854 82.833,858 176.567,859 142.156,860 72.656,862 160.801,864 64.439,865 77.717,866 337.368,867 72.656,868 8.396,869 22.934,870 90.065,871 180.938,872 8.841,873 11.771,874 229.235,876 176.567,877 150.373,878 160.801,879 64.439,880 176.567,881 118.118,882 42.683,884 25.404,885 72.468,886 52.501,887 64.439,888 176.567,889 233.457,890 142.156,893 176.567,894 86.379,895 60.678,896 18.011,897 210.545,898 176.567,899 233.457,900 142.156,901 0.591,902 0.359,903 0.19,904 0.096,905 24,906 12,907 0.135,908 7,909 1,910 1.105,911 4.189,912 281.307,913 0.105,914 19,915 149.58,916 2,918 21.99,919 9.104,920 4.267,922 231.681,923 8.364,924 11.128,928 0.933,929 1.475,930 103.377,931 552.18,932 43.5,936 37.039,939 -1.943,941 50.702,942 55.368,943 0.349,944 0.756,945 0.88,946 0.929,947 0.939,948 0.939,949 5.067,950 1.553,951 6.004,952 4.728,953 4.595,954 5.027,955 4.216,956 6.876,957 4.488,958 6.267,959 1.395,960 7.607,961 4.304,962 4.29,963 4.832,964 2.451,965 7.923,966 4.155,967 7.585,968 1.274,969 9.316,970 3.639,971 6.26,972 7.11,973 6.351,974 11.11,975 6.054,976 8.937,977 1.122,978 11.088,979 3.105,980 6.815,981 7.736,982 4.19,983 13.036,984 6.569,985 10.325,986 1,987 12.901,988 2.429,989 8.265,990 9.489,991 8.704,992 15.759,993 7.959,994 11.735,995 0.805,996 14.742,997 2.136,998 9.187,999 10.473,1000 5.829,1001 18.039,1002 8.831,1003 13.164,1004 0.612,1005 16.606,1006 2.012,1007 10.459,1008 12.013,1009 11.113,1010 20.623,1011 10.045,1012 3.442,1013 0.466,1014 18.486,1015 1.469,1016 11.54,1017 13.166,1018 7.484,1019 23.052,1020 11.07,1021 2.938,1022 12.763,1023 20.38,1024 1.148,1025 12.755,1026 14.61,1027 13.541,1028 25.598,1029 12.228,1030 2.832,1031 9.694,1032 22.285,1033 3.936,1034 13.906,1035 15.849,1036 9.266,1037 28.09,1038 13.319,1039 2.727,1040 9.28,1041 24.199,1042 3.811,1043 15.11,1044 17.245,1045 15.978,1046 30.629,1047 14.463,1048 2.14,1049 8.584,1050 26.121,1051 3.608,1052 16.294,1053 18.531,1054 11.291,1055 33.15,1056 15.586,1057 2.023,1058 6.119,1059 28.049,1060 3.299,1061 17.5,1062 19.904,1063 18.418,1064 35.689,1065 16.732,1066 1.606,1067 5.618,1068 29.984,1069 2.836,1070 18.703,1071 21.216,1072 13.579,1073 38.223,1074 17.872,1075 12605,1076 24044,1077 22.194,1078 34.171,1079 52.838,1080 58.531,1081 54.57,1082 51.885,1083 51.869,1084 64.491,1085 29.13,1086 154.052,1087 48.977,1088 5.61,1089 6.622,1090 7.027,1091 5.554,1092 5.442,1093 6.936,1094 6.907,1095 20.763,1096 5.243,1097 17.672,1098 1.554,1099 1.722,1100 1.605,1101 1.526,1102 1.526,1103 1.897,1104 0.857,1105 4.531,1106 1.44,1107 4.005,1108 4.035,1109 4.139,1110 3.903,1111 7.475,1112 3.892,1113 3.904,1114 3.933,1115 3.981,1116 3.839,1117 7.433,1118 3.826,1119 3.831,1120 3.913,1121 3.856,1122 3.59,1123 7.423,1124 3.591,1125 3.592,1126 3.621,1127 3.556,1128 3.4,1129 6.444,1130 3.431,1131 3.4,1132 3.415,1133 3.433,1134 3.206,1135 6.351,1136 3.228,1137 3.217,1138 3.212,1139 3.35,1140 2.99,1141 5.214,1142 2.985,1143 2.998,1144 3.105,1145 3.256,1146 2.912,1147 4.728,1148 2.802,1149 2.899,1150 2.971,1151 2.784,1152 2.735,1153 4.385,1154 2.715,1155 0.136,1156 0.136,1157 0.213,1158 0.129,1159 0.101,1160 4.61,1161 0.116,1162 4.622,1163 0.102,1164 7.226,1165 0.375,1166 4.384,1167 0.095,1168 3.442,1169 3.936,1170 3.454,1171 12.763,1172 3.243,1173 1.92,1174 1.895,1175 2.033,1176 2.055,1177 1.312,1178 2.043,1179 1.876,1180 1.854,1181 1.923,1182 1.986,1183 1.131,1184 1.994,1185 1.564,1186 1.53,1187 1.701,1188 1.787,1189 0.995,1190 1.774,1191 1.454,1192 1.387,1193 1.659,1194 1.713,1195 0.76,1196 1.694,1197 1.306,1198 1.28,1199 1.463,1200 1.537,1201 0.6,1202 1.515,1203 1.066,1204 1.055,1205 1.199,1206 1.398,1207 0.534,1208 1.337,1209 1,1210 0.95,1211 1.181,1212 1.33,1213 0.218,1214 1.271,1215 0.886,1216 0.821,1217 1.165,1218 1.106,1219 0.172,1220 1.139,1221 4.234,1222 5.609,1223 2.398,1224 7.192,1225 4.595,1226 8.873,1227 6.529,1228 10.612,1229 1.677,1233 19.959,1234 0.686,1235 2.548,1237 2.635,1238 -2.865,1239 1.196,1243 33.237,1244 95.884,1245 207.927,1246 242.001,1247 255.611,1248 258.366,1249 258.366,1250 85.453,1251 7.763,1252 150.54,1253 201.14,1254 21,1255 12.876,1256 4,1257 3.392,1258 49.443,1259 135,1260 133,1261 0.18,1262 210.521,1263 371.93,1264 505.432,1265 25062,1267 22.121,1268 0.714,1269 0.575,1270 22.828,1271 17.838,1272 14.88,1273 0.438,1274 0.329,1275 9.16,1276 13.228,1277 8.802,1278 7.218,1279 15.788,1280 11.201,1281 13.639,1282 0.278,1283 0.181,1284 14.714,1285 8.888,1286 11.838,1287 0.174,1288 0.107,1289 13.319,1290 7.305,1291 9.613,1292 0.11,1293 0.064,1294 11.293,1295 5.569,1296 7.364,1297 0.071,1298 0.039,1299 9.167,1300 4.093,1301 0.284,1302 104.225,1303 0.212,1304 29.258,1305 0.491,1306 166,1307 601.785,1308 235.406,1309 608.863,1310 803.22,1311 564,1312 200,1313 546.933,1314 267.294,1315 567.186,1316 836.61,1317 529,1318 7.337}
{0 CHEMBL119625,1 1.9,2 7.5,3 -0.51,4 0.26,5 77.459,6 10.038,7 0.423,8 3.691,9 3.776,10 3.468,11 3.106,12 5.126,13 3.199,14 4.156,15 4.26,16 3.865,17 3.496,18 5.786,19 3.583,20 4.385,21 4.505,22 3.938,23 3.648,24 5.933,25 3.708,26 4.464,27 4.596,28 3.986,29 3.688,30 5.941,31 3.757,32 4.53,33 4.658,34 4.042,35 3.606,36 6.25,37 3.715,38 4.45,39 4.587,40 3.912,41 3.359,42 6.255,43 3.504,44 4.137,45 4.261,46 3.582,47 3.133,48 5.935,49 3.242,50 4.005,51 4.165,52 3.318,53 2.821,54 5.889,55 2.94,56 0.333,57 0.548,58 2.979,59 2.187,60 42.931,61 1.839,62 0.622,63 0.83,64 5.916,65 3.469,66 97.123,67 3.112,68 0.874,69 0.948,70 9.155,71 4.827,72 135.088,73 4.229,74 0.921,75 0.985,76 11.231,77 5.52,78 141.161,79 5.127,80 1.146,81 0.951,82 12.978,83 5.449,84 184.479,85 4.961,86 1.243,87 0.776,88 14.607,89 4.241,90 201.76,91 3.75,92 0.874,93 0.585,94 9.127,95 3.376,96 151.383,97 2.793,98 0.854,99 0.426,100 11.118,101 3.133,102 148.967,103 3.218,104 42,105 38,106 0.345,107 0.738,108 0.861,109 0.883,110 0.894,111 0.894,112 3.23,113 0.754,114 -1.63,115 -1.7,116 -1.73,117 39.4,123 1,133 2,135 4,136 1,142 1,147 3,149 1,155 2,156 1,159 1,163 3,164 3,165 1,167 2,169 1,175 4,176 5,179 3,181 1,184 1,187 3,188 5,189 1,191 1,197 1,202 3,203 4,204 1,206 4,208 1,209 1,212 1,215 8,216 1,217 1,219 2,220 1,221 1,227 5,229 1,231 2,239 4,241 3,243 1,251 4,255 3,264 710,265 15.637,266 15.637,267 15.637,268 15.637,269 15.637,270 13.646,271 23.675,272 9.023,273 15.973,274 12.812,275 12.812,276 12.812,277 12.812,278 12.812,279 9.648,280 32.479,281 4.269,282 13.321,283 3.144,284 0.981,285 0.303,286 0.182,287 0.121,288 0.121,289 3.901,293 1,294 375,295 3.317,297 55.959,298 116.654,302 99.965,303 1.125,304 51.797,307 0.75,308 0.83,309 0.83,310 0.3,312 0.67,313 0.5,314 0.55,315 56.5,316 180,317 4.607,318 3.96,319 6.841,320 4.24,321 3.275,322 4.331,323 2.612,324 11.355,325 3.155,326 4.302,327 3.81,328 6.58,329 3.95,330 2.989,331 3.73,332 2.377,333 10.357,334 2.873,335 3.911,336 3.601,337 5.81,338 3.392,339 2.448,340 3.478,341 1.203,342 7.687,343 2.336,344 3.758,345 3.098,346 5.612,347 3.312,348 2.304,349 3.149,350 1.058,351 7.163,352 2.272,353 3.571,354 2.975,355 5.297,356 3.225,357 2.249,358 2.738,359 0.34,360 6.427,361 2.177,362 3.209,363 2.761,364 4.596,365 2.84,366 1.869,367 2.463,369 4.861,370 1.794,371 3.162,372 2.077,373 4.415,374 2.582,375 1.621,376 2.287,378 4.107,379 1.553,380 2.668,381 1.881,382 3.939,383 2.08,384 1.071,385 1.624,387 2.827,388 1.074,389 2.373,390 1.371,391 3.392,392 1.825,393 0.887,394 1.291,396 2.128,397 0.829,398 2.118,399 1.078,400 3.274,401 1.553,402 0.618,403 0.927,405 1.372,406 0.577,407 2.003,408 1,409 3,410 1.499,411 0.451,412 0.619,414 1.118,415 0.461,416 1.397,417 0.658,418 2.964,419 1.019,420 0.043,421 0.056,423 0.121,424 0.042,425 1,426 0.618,427 2.627,428 0.464,429 -0.527,430 -0.655,432 -1.505,433 -0.513,434 0.874,435 0.539,436 2.362,437 0.238,438 -0.763,439 -0.985,441 -2,442 -0.743,443 0.651,444 0.126,445 2.226,446 0.1,447 -0.928,448 -1.197,450 -2,451 -0.896,452 10.5,453 0.438,454 0.792,455 0.033,456 35.75,457 1.49,458 18.5,459 0.771,460 17.25,461 0.719,462 14.365,463 0.599,464 26.1,465 0.791,466 29.715,467 1.238,468 7.384,469 0.308,470 3.996,471 0.167,472 0.19,474 0.448,476 0.694,477 1.488,478 0.576,479 1.032,480 0.617,481 0.823,482 0.596,483 1.232,484 0.664,485 0.959,486 0.471,487 0.856,488 0.809,489 0.983,490 0.985,491 0.987,492 0.794,493 1.054,494 0.911,495 1.072,496 0.919,497 1.131,498 0.903,499 1.062,500 1.021,501 1.111,502 0.958,503 1.192,504 0.998,505 1.09,506 1.201,507 0.879,508 1.1,509 0.851,510 1.292,511 0.901,512 1.135,513 0.907,514 1.211,515 1.037,516 1.193,517 1.128,518 1.187,519 0.815,520 1.128,521 0.999,522 1.229,523 1.024,524 5.5,526 3.111,527 1.84,528 2.2,529 1.267,530 0.891,531 0.489,532 0.256,533 0.074,534 5109,535 23914,536 1.991,537 27.3,539 4,540 1,541 2,542 2,547 1.68,548 1.8,549 2.939,550 0.502,555 62.711,556 1.9,557 4.064,558 4.741,559 4.863,560 4.923,561 4.923,562 2.22,563 4.085,564 4.557,565 3.067,566 846.589,567 7.921,568 9655.33,573 166.465,574 1.555,575 4.478,576 0.212,578 0.082,579 0.046,580 0.052,581 0.03,582 0.025,583 0.02,584 0.014,585 0.007,586 0.489,587 0.33,588 0.88,589 1.181,590 110.423,591 -0.05,592 -0.275,593 0.001,594 -0.032,595 -0.059,596 -0.006,597 0.099,598 -0.062,599 0.017,600 0.019,601 0.163,602 0.002,603 -0.012,604 0.093,605 -0.171,606 0.017,607 -0.033,608 -0.113,609 -0.099,610 -0.049,611 -0.024,612 -0.104,613 -0.111,614 -0.047,615 -0.061,616 -0.151,617 0.018,618 -0.215,619 -0.03,620 -0.106,621 -0.064,622 0.014,623 -0.003,624 0.047,625 -0.118,626 0.048,627 -0.053,628 0.015,629 -0.191,630 -0.098,631 -0.085,632 -0.183,633 0.003,634 -0.041,635 0.159,636 -0.039,637 0.011,638 0.096,639 2.994,640 4.938,641 0.625,642 17.882,643 1.068,644 1.139,645 0.403,646 0.162,647 0.675,648 3.296,649 3.664,650 3.951,651 4.263,652 4.533,653 4.7,654 4.844,655 4.963,656 4.956,657 4.71,658 4.93,659 0.711,660 331.27,661 3.296,662 4.86,663 5.727,664 6.635,665 7.532,666 8.447,667 9.355,668 10.273,669 11.187,670 12.105,671 15.2,678 2,679 1,681 1,682 1,687 5,688 1,692 4,693 1,694 11,702 1,707 33,709 16,710 1,711 26,712 35,713 13,714 9,715 4,716 2,717 2,718 3,719 4,730 12,731 1,734 5,735 1,738 5,741 3,744 1,747 9,748 9,749 2,750 11,752 1,753 5,758 0.667,759 6,771 1,772 2,776 1,779 1,780 1,781 1,789 1,791 2,797 24,801 1,802 1,803 1,807 1,815 18.2,817 1,818 3,821 2,822 13.333,823 6,824 5.194,825 1.69,827 2.241,828 1.317,829 0.944,830 3.948,831 9.312,832 3.624,833 4.23,834 4.759,835 5.335,836 5.863,837 6.298,838 6.733,839 7.067,840 7.306,841 7.292,842 0.8,843 40,844 8.932,846 4.096,847 8.653,848 15.403,850 12.417,853 3.153,854 75.667,858 82.398,859 69.118,860 45.49,862 168.865,865 69.118,866 251.263,867 45.49,868 5.67,869 23.241,870 28,871 177.384,872 21.974,873 11.771,874 47.084,875 50.747,876 82.398,877 114.608,878 168.865,880 82.398,881 118.118,882 50.747,884 42.806,885 49.346,886 22.456,888 82.398,889 214.355,890 69.118,893 82.398,894 23.452,895 56.359,896 18.011,897 185.651,898 82.398,899 214.355,900 69.118,901 0.593,902 0.342,903 0.191,904 0.114,905 19,906 10,907 0.114,908 4,909 1,910 1.133,911 3.355,912 205.25,913 0.133,914 15,915 108.039,918 15.954,919 5.939,920 2.847,922 206.786,923 6.517,924 3.801,928 -0.222,929 1.345,930 60.694,931 365.87,932 36.5,933 -0.653,936 57.155,939 -3.449,941 35.24,942 37.578,943 0.377,944 0.806,945 0.94,946 0.964,947 0.976,948 0.976,949 4.881,950 1.071,951 5.753,952 4.107,953 4.344,954 4.916,955 3.274,956 6.624,957 4.271,958 6.118,959 0.887,960 7.356,961 2.827,962 4.111,963 4.902,964 2.966,965 7.644,966 4.016,967 7.451,968 0.618,969 9.059,970 2.128,971 5.994,972 7.111,973 4.694,974 10.781,975 5.843,976 8.816,977 0.451,978 10.819,979 1.372,980 6.538,981 7.879,982 5.047,983 12.598,984 6.362,985 10.209,986 0.043,987 12.615,988 1.118,989 7.946,990 9.598,991 6.379,992 15.272,993 7.72,994 11.623,995 -0.527,996 14.434,997 0.121,998 8.832,999 10.714,1000 7.007,1001 17.424,1002 8.574,1003 13.053,1004 -0.763,1005 16.272,1006 -1.505,1007 10.073,1008 12.258,1009 8.161,1010 19.933,1011 9.772,1012 3.275,1013 -0.928,1014 18.122,1015 -2,1016 11.113,1017 13.539,1018 8.923,1019 22.23,1020 10.777,1021 2.989,1022 11.355,1023 19.983,1024 -2,1025 12.297,1026 15.018,1027 9.986,1028 24.677,1029 11.92,1030 2.448,1031 10.357,1032 21.853,1033 4.331,1034 13.407,1035 16.382,1036 10.822,1037 27.038,1038 12.993,1039 2.304,1040 7.687,1041 23.729,1042 3.73,1043 14.575,1044 17.838,1045 11.835,1046 29.462,1047 14.122,1048 2.249,1049 7.163,1050 25.61,1051 3.478,1052 15.716,1053 19.244,1054 12.715,1055 31.851,1056 15.226,1057 1.869,1058 6.427,1059 27.497,1060 3.149,1061 16.881,1062 20.695,1063 13.7,1064 34.267,1065 16.353,1066 1.621,1067 4.861,1068 29.387,1069 2.738,1070 18.038,1071 22.124,1072 14.606,1073 36.67,1074 17.472,1075 5161,1076 11265,1077 16.531,1078 22.278,1079 40.477,1080 42.235,1081 41.288,1082 39.678,1083 39.651,1084 53.384,1085 15.181,1086 119.048,1087 38.286,1088 5.555,1089 5.96,1090 6.436,1091 5.309,1092 5.275,1093 7.331,1094 4.612,1095 18.87,1096 5.155,1097 14.71,1098 1.557,1099 1.624,1100 1.588,1101 1.526,1102 1.525,1103 2.053,1104 0.584,1105 4.579,1106 1.473,1107 4.093,1108 4.129,1109 4.069,1110 3.941,1111 7.815,1112 3.965,1113 3.818,1114 3.871,1115 3.778,1116 3.602,1117 7.499,1118 3.638,1119 3.689,1120 3.714,1121 3.669,1122 3.383,1123 7.473,1124 3.436,1125 3.462,1126 3.473,1127 3.406,1128 3.152,1129 7.353,1130 3.211,1131 3.309,1132 3.31,1133 3.287,1134 2.945,1135 6.999,1136 3.041,1137 2.954,1138 2.996,1139 2.888,1140 2.713,1141 6.351,1142 2.739,1143 2.712,1144 2.751,1145 2.648,1146 2.397,1147 4.979,1148 2.465,1149 2.536,1150 2.595,1151 2.441,1152 2.273,1153 4.619,1154 2.292,1155 0.177,1156 0.152,1157 0.263,1158 0.163,1159 0.126,1160 4.607,1161 0.167,1162 3.96,1163 0.1,1164 6.841,1165 0.437,1166 4.24,1167 0.121,1168 3.275,1169 4.331,1170 2.612,1171 11.355,1172 3.155,1173 1.964,1174 1.937,1175 2.016,1176 2.137,1177 1.179,1178 2.095,1179 1.562,1180 1.53,1181 1.67,1182 1.872,1183 0.824,1184 1.793,1185 1.374,1186 1.325,1187 1.542,1188 1.677,1189 0.603,1190 1.607,1191 1.289,1192 1.257,1193 1.434,1194 1.619,1195 0.365,1196 1.555,1197 1.232,1198 1.177,1199 1.334,1200 1.525,1201 0.232,1202 1.506,1203 1.057,1204 1.045,1205 1.151,1206 1.365,1207 0.153,1208 1.31,1209 0.8,1210 0.753,1211 0.973,1212 1.137,1214 1.083,1215 0.489,1216 0.448,1217 0.797,1218 0.876,1220 0.877,1221 3.97,1222 5.323,1223 2.398,1224 6.866,1225 4.443,1226 8.512,1227 6.293,1228 10.22,1233 8.942,1234 -0.75,1235 2.228,1239 0.751,1243 23.449,1244 62.711,1245 134.1,1246 156.465,1247 160.465,1248 162.465,1249 162.465,1250 67.458,1251 7.071,1252 155.8,1253 155.8,1254 17,1255 12.616,1256 4.087,1257 3.524,1258 38.788,1259 72,1260 62,1261 0.281,1262 144.893,1263 258.56,1264 345.299,1265 9052,1267 17.43,1268 0.726,1269 0.495,1270 17.43,1271 11.871,1272 11.38,1273 0.438,1274 0.251,1275 6.351,1276 10.537,1277 6.312,1278 5.176,1279 11.38,1280 6.536,1281 10.877,1282 0.286,1283 0.127,1284 10.877,1285 4.824,1286 8.677,1287 0.17,1288 0.066,1289 8.677,1290 3.344,1291 7.308,1292 0.104,1293 0.033,1294 7.308,1295 2.344,1296 6.038,1297 0.066,1298 0.017,1299 6.038,1300 1.535,1301 0.416,1302 74.508,1303 0.246,1304 22.555,1305 0.851,1306 128,1307 565.741,1308 151.693,1309 528.188,1310 683.3,1311 482,1312 153,1313 487.713,1314 176.563,1315 479.54,1316 697.83,1317 447,1318 5.18}
{0 CHEMBL1231530,1 1.603,2 7.143,3 0.742,4 0.551,5 50.319,6 7.729,7 0.429,8 3.3,9 3.404,10 2.851,11 2.8,12 4.574,13 2.798,14 3.748,15 3.896,16 3.112,17 3.096,18 5.161,19 3.057,20 3.999,21 4.21,22 3.03,23 3.107,24 5.221,25 3.048,26 3.888,27 4.093,28 2.882,29 2.885,30 5.249,31 2.842,32 3.662,33 3.863,34 2.669,35 2.725,36 4.96,37 2.685,38 3.524,39 3.725,40 2.614,41 2.645,42 5.145,43 2.566,44 3.396,45 3.635,46 2.353,47 2.473,48 4.607,49 2.383,50 3.187,51 3.397,52 2.129,53 2.085,54 4.617,55 2.063,56 0.077,57 0.332,58 4.726,59 2.244,60 13.94,61 2.701,62 0.23,63 0.489,64 8.215,65 3.446,66 38.68,67 4.498,68 0.299,69 0.551,70 12.492,71 4.05,72 55.992,73 5.451,74 0.399,75 0.462,76 11.627,77 3.25,78 61.788,79 4.341,80 0.261,81 0.372,82 9.064,83 2.688,84 47.366,85 3.475,86 0.303,87 0.322,88 7.735,89 2.703,90 64.44,91 3.679,92 0.124,93 0.276,94 6.958,95 2.463,96 19.909,97 3.409,98 0.169,99 0.193,100 5.924,101 1.685,102 28.338,103 2.144,104 15,105 17,106 0.327,107 0.676,108 0.764,109 0.826,110 0.849,111 0.849,112 2.728,113 0.911,114 -2.56,115 -2.58,116 -2.52,117 40,119 1,123 1,133 5,134 1,147 2,156 1,159 1,160 6,161 1,164 2,167 2,169 3,172 6,176 2,181 2,182 1,184 3,188 3,191 1,192 1,193 2,196 1,203 1,204 1,208 1,211 2,212 1,215 1,216 1,219 1,221 1,224 2,225 2,228 2,233 2,236 1,237 2,240 2,245 2,248 1,252 1,257 1,264 200,265 9.173,266 9.173,267 9.173,268 9.173,269 9.173,270 8.123,271 7.249,272 5.791,273 9.218,274 6.911,275 6.911,276 6.911,277 6.911,278 6.911,279 5.34,280 6.467,281 2.768,282 6.95,283 3.041,284 1.329,285 0.895,286 0.59,287 0.48,288 0.48,289 3.345,292 1,293 1,294 195,295 3.082,298 50.188,303 1.163,304 19.689,307 1,308 0.83,309 0.83,310 0.6,312 1,313 1,314 0.75,315 31.5,316 100,317 4.141,318 3.603,319 6.018,320 3.791,321 2.784,322 3.67,323 2.341,324 8.537,325 2.797,326 3.55,327 3.548,328 4.665,329 3.227,330 2.225,331 2.716,332 1.058,333 5.194,334 2.203,335 3.281,336 2.188,337 4.293,338 2.827,339 1.827,340 2.541,342 4.221,343 1.819,344 2.629,345 1.638,346 3.51,347 2.243,348 1.268,349 1.642,351 2.771,352 1.231,353 2.5,354 1.323,355 3.247,356 2,357 1,358 1.5,360 2.136,361 1,362 2.135,363 1,364 3,365 1.815,366 0.792,367 0.984,369 1.701,370 0.799,371 1,372 0.776,373 2.232,374 0.715,375 -0.288,376 -0.327,378 -0.633,379 -0.282,380 0.745,381 0.261,382 1.616,383 0.28,384 -0.753,385 -1.069,387 -1.611,388 -0.771,389 0.5,390 -0.337,391 1.555,392 0.001,393 -1,394 -1.3,396 -2,397 -0.964,398 0.43,399 -0.751,400 1.219,402 -1,403 -1.5,405 -2.347,406 -1,407 -0.03,408 -1,409 1,410 -0.272,411 -1.263,412 -1.642,414 -3.136,415 -1.283,416 -0.497,417 -1.37,418 1,419 -0.657,420 -1.667,421 -2,422 -0.757,423 -4.164,424 -1.698,425 -0.5,426 -1.74,427 0.447,428 -0.97,429 -1.924,430 -2.214,431 -1.058,432 -4.789,433 -1.851,434 -0.884,435 -2,436 0.198,437 -1,438 -2,439 -3,440 -1.584,441 -5.88,442 -2,452 6.4,453 0.457,454 0.302,455 0.022,456 17.25,457 1.232,458 9,459 0.643,460 8.25,461 0.589,462 7.572,463 0.541,464 15.8,465 0.632,466 11.108,467 0.793,468 3.801,469 0.272,470 2.897,471 0.207,472 0.156,474 0.234,476 0.769,477 1.193,478 0.799,479 1.053,480 0.682,481 0.947,482 0.449,483 1.222,484 0.875,485 1.208,486 0.457,487 1.161,488 1.026,489 1.076,490 1.018,491 1.009,492 1.016,493 1.008,494 1.257,495 0.928,496 1.158,497 0.892,498 1.348,499 0.982,500 1.359,501 0.899,502 1.173,503 0.898,504 1.374,505 0.96,506 0.459,507 0.935,508 0.86,509 1.058,510 0.471,511 1.067,512 0.683,513 1.024,514 0.779,515 1.122,516 0.671,517 1.01,518 1.526,519 0.93,520 1.068,521 0.994,522 1.463,523 0.934,524 2.5,526 1.333,527 0.688,528 0.271,529 0.264,530 0.142,531 0.106,532 0.054,533 0.031,534 1292,535 5019,536 1.88,537 44,539 7,542 2,543 2,547 1.502,548 1.75,549 2.886,550 0.547,554 1,555 40.068,556 1.603,557 3.315,558 3.749,559 4.054,560 4.164,561 4.164,562 2.306,563 3.093,564 3.778,565 2.998,566 272.787,567 6.267,568 2206.09,570 1,573 116.096,574 1.414,575 3.726,576 0.179,578 0.078,579 0.046,580 0.023,581 0.026,582 0.016,583 0.015,584 0.011,585 0.016,586 0.409,587 0.5,588 1,589 2.108,590 54.566,591 -0.111,592 0.009,593 -0.034,594 0.053,595 -0.09,596 0.036,597 0.23,598 -0.098,599 -0.052,600 -0.165,601 0.177,602 -0.183,603 -0.143,604 -0.112,605 -0.066,606 -0.056,607 -0.133,608 -0.043,609 -0.116,610 0.022,611 -0.146,612 -0.002,613 -0.188,614 -0.078,615 -0.276,616 0.057,617 -0.184,618 0.02,619 -0.246,620 -0.037,621 0.435,622 -0.013,623 0.097,624 -0.074,625 0.461,626 -0.074,627 0.061,628 -0.158,629 0.188,630 -0.136,631 0.081,632 0.028,633 -0.221,634 -0.133,635 0.009,636 -0.093,637 -0.167,639 2.585,640 4.322,641 0.429,642 8.612,643 1.02,644 1.128,645 1.331,646 1.77,647 0.647,648 2.708,649 2.89,650 2.944,651 2.996,652 3.045,653 2.833,654 2.708,655 2.398,656 2.197,657 1.946,658 4.457,659 0.632,660 193.22,661 2.708,662 4.143,663 4.89,664 5.68,665 6.45,666 7.246,667 8.026,668 8.825,669 9.611,670 10.411,671 4,678 1,687 5,692 1,694 6,697 1,707 25,709 8,710 1,711 14,712 25,713 10,714 6,715 1,716 5,717 1,718 1,719 1,728 1,730 8,731 2,734 2,738 2,741 2,744 1,747 11,748 4,749 2,750 4,753 1,758 1,759 3,772 1,781 1,789 1,791 1,797 14,801 1,802 2,803 1,815 12,817 1,818 2,822 8,823 4.2,824 3.278,825 1.369,827 1.286,828 1.253,829 0.879,830 3.982,831 6.367,832 2.996,833 3.418,834 3.755,835 4.121,836 4.505,837 4.246,838 4.343,839 3.841,840 3.841,841 3.841,842 0.8,843 15,844 5.137,845 0.002,846 2.066,847 8.393,848 9.289,849 0.001,850 6.903,851 0.001,853 2.893,854 40.5,855 0.002,858 105.94,859 60.822,860 18.011,862 92.973,865 60.822,866 198.913,867 18.011,869 22.651,870 47.381,871 98.588,872 3.186,874 105.94,876 105.94,877 78.832,878 92.973,880 105.94,881 92.973,884 22.651,885 56.181,888 105.94,889 110.984,890 60.822,893 105.94,894 13.44,895 47.381,896 18.011,897 92.973,898 105.94,899 110.984,900 60.822,901 0.552,902 0.282,903 0.133,904 0.068,905 6,906 3,907 0.16,908 4,910 1,911 2.664,912 74.448,914 6,915 49.303,918 10.574,919 5.272,920 3.843,922 110.984,923 8.679,928 0.54,930 60.694,931 277.745,932 19,936 21.488,939 -1.162,941 25.502,942 28.203,943 0.345,944 0.714,945 0.807,946 0.873,947 0.897,948 0.897,949 4.135,950 -0.753,951 4.812,952 -0.633,953 3.555,954 4.094,955 2.468,956 5.442,957 3.547,958 5.279,959 -1,960 6.267,961 -1.611,962 2.944,963 3.651,964 2.243,965 6.071,966 2.957,967 6.521,968 -1,969 7.828,970 -2,971 4.963,972 6.062,973 3.693,974 9.062,975 4.952,976 7.796,977 -1.263,978 9.455,979 -2.347,980 5.142,981 6.377,982 4.112,983 10.584,984 5.163,985 9.101,986 -1.667,987 11.127,988 -3.136,989 6.65,990 8.317,991 5.217,992 13.067,993 6.646,994 10.427,995 -1.924,996 12.831,997 -4.164,998 7.225,999 9.007,1000 5.889,1001 14.949,1002 7.253,1003 11.77,1004 -2,1005 14.558,1006 -4.789,1007 8.488,1008 10.718,1009 6.852,1010 17.239,1011 8.497,1012 2.784,1014 16.303,1015 -5.88,1016 9.272,1017 11.624,1018 7.625,1019 19.271,1020 9.308,1021 2.225,1022 8.537,1023 18.06,1025 10.413,1026 13.198,1027 8.526,1028 21.48,1029 10.437,1030 1.827,1031 5.194,1032 19.827,1033 3.67,1034 11.31,1035 14.24,1036 9.342,1037 23.575,1038 11.354,1039 1.268,1040 4.221,1041 21.601,1042 2.716,1043 12.389,1044 15.725,1045 10.216,1046 25.749,1047 12.429,1048 1,1049 2.771,1050 23.38,1051 2.541,1052 13.346,1053 16.855,1054 11.051,1055 27.871,1056 13.4,1057 0.792,1058 2.136,1059 25.163,1060 1.642,1061 14.395,1062 18.28,1063 11.912,1064 30.029,1065 14.449,1066 -0.288,1067 1.701,1068 26.949,1069 1.5,1070 15.383,1071 19.468,1072 12.755,1073 32.164,1074 15.448,1075 1420,1076 2854,1077 8.841,1078 16.176,1079 20.185,1080 21.013,1081 20.321,1082 19.806,1083 19.791,1084 26.104,1085 6.798,1086 49.12,1087 19.699,1088 5.025,1089 5.603,1090 5.82,1091 4.791,1092 4.784,1093 6.67,1094 3.925,1095 14.418,1096 4.797,1097 7.367,1098 1.442,1099 1.501,1100 1.452,1101 1.415,1102 1.414,1103 1.865,1104 0.486,1105 3.509,1106 1.407,1107 3.925,1108 3.953,1109 3.863,1110 3.851,1111 7.474,1112 3.849,1113 3.66,1114 3.705,1115 3.557,1116 3.456,1117 7.429,1118 3.471,1119 3.314,1120 3.33,1121 3.257,1122 3.053,1123 6.351,1124 3.094,1125 2.931,1126 2.962,1127 2.794,1128 2.735,1129 4.729,1130 2.715,1131 2.854,1132 2.925,1133 2.687,1134 2.646,1135 4.101,1136 2.679,1137 2.542,1138 2.611,1139 2.384,1140 2.249,1141 3.674,1142 2.284,1143 2.238,1144 2.336,1145 1.937,1146 1.788,1147 3.566,1148 1.796,1149 1.969,1150 2.014,1151 1.747,1152 1.298,1153 3.195,1154 1.388,1155 0.296,1156 0.257,1157 0.43,1158 0.271,1159 0.199,1160 4.141,1161 0.262,1162 3.603,1163 0.167,1164 6.018,1165 0.61,1166 3.791,1167 0.2,1168 2.784,1169 3.67,1170 2.341,1171 8.537,1172 2.797,1173 1.904,1174 1.878,1175 2.021,1176 2.002,1177 1.107,1178 2.008,1179 1.597,1180 1.548,1181 1.822,1182 1.827,1183 1.042,1184 1.825,1185 1.167,1186 1.145,1187 1.319,1188 1.478,1189 0.325,1190 1.42,1191 0.886,1192 0.821,1193 1.181,1194 1.141,1195 0.218,1196 1.115,1197 0.822,1198 0.781,1199 1.084,1200 1.062,1201 0.158,1202 1.107,1203 0.453,1204 0.398,1205 0.791,1206 0.814,1208 0.829,1209 0.155,1210 0.04,1211 0.666,1212 0.615,1214 0.633,1217 0.381,1218 0.337,1220 0.297,1221 3.367,1222 4.575,1224 5.964,1226 7.432,1228 8.942,1233 8.346,1234 0.099,1235 2.511,1243 15.8,1244 40.068,1245 82.877,1246 93.732,1247 101.342,1248 104.096,1249 104.096,1250 28.739,1251 5.081,1252 66.4,1253 66.4,1254 6,1255 11.011,1256 3.17,1257 2.585,1258 28.123,1259 36,1260 32,1261 0.386,1262 103.446,1263 182.47,1264 244.169,1265 728,1267 10.389,1268 0.742,1269 0.54,1270 10.389,1271 7.565,1272 6.698,1273 0.478,1274 0.304,1275 4.186,1276 6.413,1277 4.119,1278 3.434,1279 6.698,1280 4.25,1281 5.7,1282 0.335,1283 0.163,1284 5.7,1285 2.766,1286 3.896,1287 0.216,1288 0.092,1289 3.896,1290 1.66,1291 2.787,1292 0.147,1293 0.051,1294 2.787,1295 0.975,1296 1.936,1297 0.097,1298 0.029,1299 1.936,1300 0.577,1301 0.601,1302 42.376,1303 0.336,1304 14.655,1305 1.051,1306 62,1307 247.954,1308 70.363,1309 234.042,1310 294.27,1311 214,1312 66,1313 191.993,1314 72.316,1315 192.186,1316 271,1317 180,1318 4.316}
{0 CHEMBL1231562,1 1.45,2 6.882,3 2.258,4 5.1,5 60.174,6 7.281,7 0.294,8 3.574,9 3.666,10 3.063,11 3.016,12 4.799,13 3.013,14 4.088,15 4.251,16 3.411,17 3.355,18 5.452,19 3.323,20 4.302,21 4.487,22 3.417,23 3.436,24 5.436,25 3.403,26 4.367,27 4.524,28 3.489,29 3.46,30 5.662,31 3.433,32 4.359,33 4.534,34 3.294,35 3.411,36 5.628,37 3.339,38 4.349,39 4.586,40 3.136,41 3.28,42 5.516,43 3.186,44 4.215,45 4.476,46 3.024,47 2.972,48 5.817,49 2.877,50 3.906,51 4.146,52 2.058,53 2.478,54 5.21,55 2.367,56 0.117,57 0.405,58 7.057,59 3.33,60 19.878,61 4.002,62 0.35,63 0.617,64 13.017,65 5.188,66 69.681,67 6.84,68 0.443,69 0.696,70 17.21,71 5.777,72 67.883,73 7.611,74 0.629,75 0.724,76 18.342,77 5.964,78 71.495,79 7.754,80 0.679,81 0.703,82 18.592,83 5.865,84 95.107,85 7.795,86 0.471,87 0.659,88 18.939,89 5.59,90 82.859,91 8.024,92 0.72,93 0.515,94 17.534,95 4.426,96 137.945,97 6.819,98 0.593,99 0.321,100 13.636,101 2.615,102 107.554,103 3.73,104 51,105 23,106 0.277,107 0.582,108 0.797,109 0.863,110 0.863,111 0.863,112 2.908,113 0.976,114 -2.45,115 -2.47,116 -2.42,117 36.4,118 2,119 4,134 2,143 2,147 2,156 2,159 2,160 5,161 2,164 6,167 2,169 2,172 4,173 2,176 5,177 1,181 2,184 5,185 2,187 1,188 3,189 1,191 1,193 2,196 6,197 3,202 1,203 3,206 1,208 3,211 5,212 2,213 1,216 2,217 2,221 2,222 2,224 2,225 3,227 1,228 3,231 2,232 1,233 3,236 1,237 1,240 1,245 1,248 1,252 1,257 1,264 329,265 10.836,266 10.836,267 10.836,268 10.836,269 10.836,270 9.81,271 11.986,272 6.499,273 10.847,274 8.317,275 8.317,276 8.317,277 8.317,278 8.317,279 6.677,280 11.182,281 2.962,282 8.328,283 3.595,284 2.002,285 0.879,286 0.531,287 0.531,288 0.531,289 3.524,292 1,293 1,294 222,295 3.464,297 52.314,303 1.08,304 30.427,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 1,315 39,316 117,317 4.579,318 3.679,319 6.841,320 4.219,321 3.219,322 4.297,323 2.341,324 11.24,325 3.217,326 3.614,327 3.594,328 5.632,329 3.313,330 2.311,331 2.877,332 1.437,333 7.162,334 2.306,335 3.556,336 3.077,337 5.05,338 3.231,339 2.226,340 2.724,342 5.747,343 2.214,344 3.207,345 2.405,346 4.598,347 2.858,348 1.854,349 2.374,351 4.906,352 1.846,353 2.699,354 1.862,355 4.179,356 2.412,357 1.409,358 1.7,360 3.344,361 1.404,362 2.099,363 1.096,364 3.195,365 1.915,366 0.913,367 1.046,369 1.679,370 0.911,371 1.767,372 1.015,373 3.031,374 1.552,375 0.546,376 0.622,378 1.222,379 0.542,380 1.002,381 0.6,382 2.311,383 0.829,384 -0.176,385 -0.194,387 -0.346,388 -0.175,389 0.659,390 0.39,391 2.193,392 0.435,393 -0.574,394 -0.623,396 -1.187,397 -0.569,398 0.457,399 0.146,400 1.755,401 0.047,402 -1,403 -1.085,405 -2,406 -0.933,407 0.365,408 -0.165,409 1.668,410 -0.009,411 -1,412 -1.33,414 -2,415 -0.971,416 0.138,417 -0.685,418 1.374,419 -0.056,420 -1,421 -1.402,423 -2.465,424 -1.04,425 -0.202,426 -1.174,427 1.24,428 -0.453,429 -1.442,430 -1.747,432 -3.906,433 -1.456,434 -0.308,435 -1.367,436 1,437 -0.577,438 -1.575,439 -1.833,441 -4.47,442 -1.578,443 -0.598,444 -1.582,445 1,446 -0.858,447 -1.855,448 -2.112,449 -0.757,450 -5.345,451 -1.861,452 7.667,453 0.451,454 0.532,455 0.031,456 17,457 1,458 7,459 0.412,460 10,461 0.588,462 14.855,463 0.874,464 20.533,465 0.622,466 11.983,467 0.705,468 3.399,469 0.2,470 4.57,471 0.269,472 0.304,474 0.391,476 0.833,477 1.271,478 0.85,479 1.247,480 0.759,481 1.084,482 0.458,483 1.176,484 0.666,485 1.167,486 0.343,487 1.01,488 1.048,489 0.989,490 0.928,491 0.972,492 0.872,493 0.922,494 1.072,495 1.177,496 1.095,497 1.174,498 0.84,499 1.147,500 1.081,501 1.118,502 1.241,503 1.142,504 1.102,505 1.226,506 0.932,507 1.118,508 0.97,509 1.113,510 1.058,511 1.063,512 0.562,513 0.902,514 0.704,515 0.905,516 0.643,517 0.858,518 1.992,519 0.558,520 1.596,521 0.579,522 2.325,523 0.905,524 4,526 2,527 1.917,528 1.14,529 0.493,530 0.519,531 0.062,532 0.049,534 1804,535 6861,536 1.807,537 48.5,538 8,542 2,543 6,547 1.577,548 1.619,549 2.785,550 0.468,552 1,553 1,554 1,555 47.836,556 1.45,557 3.043,558 4.165,559 4.514,560 4.514,561 4.514,562 2.257,563 3.572,564 4.05,565 2.933,566 398.846,567 6.888,568 3650.56,570 1,572 1,573 166.465,574 1.58,575 3.954,576 0.235,578 0.087,579 0.083,580 0.05,581 0.027,582 0.035,583 0.005,584 0.016,586 0.539,587 0.5,588 1,589 1.816,590 69.813,591 -0.103,592 0.011,593 -0.024,594 0.018,595 -0.094,596 0.02,597 0.247,598 -0.043,599 0.206,600 -0.032,601 0.285,602 0.058,603 -0.144,604 0.048,605 0.009,606 0.062,607 -0.109,608 0.08,609 -0.03,610 -0.133,611 -0.14,612 -0.145,613 -0.028,614 -0.172,615 -0.064,616 -0.104,617 -0.285,618 -0.139,619 -0.13,620 -0.259,621 -0.075,622 -0.189,623 -0.011,624 -0.171,625 -0.101,626 -0.087,627 0.395,628 -0.07,629 0.313,630 -0.055,631 0.466,632 0.078,633 -0.519,634 0.18,635 -0.467,636 0.146,637 -0.57,638 -0.099,639 2.728,640 4.097,641 0.294,642 12.374,643 1.021,644 1.132,645 1.215,646 1.477,647 0.617,648 2.89,649 3.178,650 3.367,651 3.611,652 3.638,653 3.611,654 3.526,655 2.996,656 2.303,657 1.946,658 4.386,659 0.6,660 240.28,661 2.89,662 4.394,663 5.209,664 6.084,665 6.938,666 7.825,667 8.696,668 9.587,669 10.466,670 11.357,690 1,692 4,694 5,698 1,707 33,709 7,711 17,712 33,713 12,714 4,717 1,718 1,719 1,723 2,728 4,730 6,731 6,734 2,738 2,741 2,744 1,746 1,747 16,748 5,749 2,750 5,758 1,759 5,771 1,781 1,789 2,791 1,794 2,797 17,801 2,802 4,815 15.2,817 2,818 2,820 1,822 10.5,823 6.4,824 3.944,825 2.142,827 1.191,828 1.214,829 0.844,830 4.757,831 6.759,832 3.114,833 3.644,834 4.101,835 4.64,836 4.841,837 4.973,838 4.992,839 4.633,840 3.944,841 4.038,842 0.8,843 23,844 6.308,846 2.619,847 8.412,848 11.435,850 8.802,853 2.912,854 49.5,855 0.001,858 164.795,859 46.877,862 145.164,865 46.877,866 309.959,868 17.65,869 10.138,871 137.476,872 15.878,873 10.898,874 164.795,876 164.795,877 46.877,878 145.164,880 164.795,881 145.164,884 27.789,885 19.089,888 164.795,889 145.164,890 46.877,893 164.795,894 29.227,895 17.65,897 145.164,898 164.795,899 145.164,900 46.877,901 0.568,902 0.316,903 0.179,904 0.098,905 9,906 6,907 0.182,908 6,910 1,911 2.747,912 107.715,914 5,915 69.487,918 13.778,919 5.869,920 3.333,922 145.164,926 5.454,928 1.639,930 85.367,931 356.836,932 21.5,936 21.58,939 -2.026,941 33.705,942 37.369,943 0.287,944 0.603,945 0.826,946 0.895,947 0.895,948 0.895,949 4.334,950 -0.176,951 5.22,952 1.222,953 3.85,954 4.324,955 2.617,956 6.047,957 3.847,958 5.549,959 -0.574,960 6.801,961 -0.346,962 3.611,963 4.369,964 2.243,965 7.071,966 3.598,967 6.868,968 -1,969 8.49,970 -1.187,971 5.442,972 6.486,973 3.832,974 10.174,975 5.438,976 8.227,977 -1,978 10.24,979 -2,980 5.994,981 7.346,982 4.112,983 12.051,984 5.983,985 9.62,986 -1,987 12.031,988 -2,989 7.382,990 9.031,991 5.294,992 14.707,993 7.377,994 11.038,995 -1.442,996 13.852,997 -2.465,998 8.288,999 10.243,1000 5.889,1001 16.923,1002 8.28,1003 12.478,1004 -1.575,1005 15.694,1006 -3.906,1007 9.524,1008 11.781,1009 6.886,1010 19.427,1011 9.518,1012 3.219,1013 -1.855,1014 17.553,1015 -4.47,1016 10.584,1017 13.141,1018 7.625,1019 21.771,1020 10.577,1021 2.311,1022 11.24,1023 19.426,1024 -5.345,1025 11.77,1026 14.628,1027 8.54,1028 24.221,1029 11.763,1030 2.226,1031 7.162,1032 21.31,1033 4.297,1034 12.894,1035 16.048,1036 9.342,1037 26.613,1038 12.887,1039 1.854,1040 5.747,1041 23.201,1042 2.877,1043 14.066,1044 17.516,1045 10.221,1046 29.044,1047 14.059,1048 1.409,1049 4.906,1050 25.099,1051 2.724,1052 15.216,1053 18.959,1054 11.051,1055 31.453,1056 15.209,1057 0.913,1058 3.344,1059 27.002,1060 2.374,1061 16.384,1062 20.42,1063 11.914,1064 33.876,1065 16.376,1066 0.546,1067 1.679,1068 28.909,1069 1.7,1070 17.545,1071 21.872,1072 12.755,1073 36.292,1074 17.537,1075 2059,1076 4102,1077 10.057,1078 20.364,1079 25.337,1080 25.96,1081 27.17,1082 25,1083 24.953,1084 31.279,1085 7.555,1086 70.6,1087 24.882,1088 5.401,1089 5.534,1090 6.604,1091 5.168,1092 5.167,1093 6.987,1094 3.925,1095 18.286,1096 5.167,1097 11.752,1098 1.49,1099 1.527,1100 1.598,1101 1.471,1102 1.468,1103 1.84,1104 0.444,1105 4.153,1106 1.464,1107 4.013,1108 4.017,1109 3.976,1110 3.885,1111 7.477,1112 3.904,1113 3.605,1114 3.653,1115 3.496,1116 3.444,1117 7.472,1118 3.437,1119 3.51,1120 3.554,1121 3.361,1122 3.327,1123 6.352,1124 3.327,1125 3.207,1126 3.219,1127 3.121,1128 2.915,1129 6.35,1130 2.945,1131 3.092,1132 3.127,1133 2.921,1134 2.778,1135 4.979,1136 2.822,1137 2.908,1138 2.99,1139 2.649,1140 2.642,1141 4.074,1142 2.638,1143 2.632,1144 2.705,1145 2.366,1146 2.278,1147 3.895,1148 2.299,1149 2.214,1150 2.343,1151 1.882,1152 1.865,1153 3.706,1154 1.845,1155 0.269,1156 0.216,1157 0.402,1158 0.248,1159 0.189,1160 4.579,1161 0.253,1162 3.679,1163 0.138,1164 6.841,1165 0.661,1166 4.219,1167 0.189,1168 3.219,1169 4.297,1170 2.341,1171 11.24,1172 3.217,1173 1.748,1174 1.72,1175 1.953,1176 1.885,1177 1.216,1178 1.906,1179 1.682,1180 1.648,1181 1.872,1182 1.874,1183 1.147,1184 1.868,1185 1.469,1186 1.419,1187 1.729,1188 1.677,1189 0.876,1190 1.687,1191 1.211,1192 1.193,1193 1.399,1194 1.515,1195 0.523,1196 1.469,1197 0.963,1198 0.901,1199 1.329,1200 1.316,1201 0.396,1202 1.3,1203 0.844,1204 0.8,1205 1.081,1206 1.2,1207 0.084,1208 1.189,1209 0.464,1210 0.412,1211 0.851,1212 0.903,1214 0.873,1215 0.375,1216 0.306,1217 0.741,1218 0.729,1220 0.755,1221 3.555,1222 4.844,1223 2.398,1224 6.312,1225 4.844,1226 7.875,1227 7.018,1228 9.497,1229 3.668,1233 17.681,1234 1.505,1243 19.788,1244 47.836,1245 100.407,1246 137.445,1247 148.955,1248 148.955,1249 148.955,1250 53.718,1251 5.568,1252 87.74,1253 87.74,1254 5,1255 11.888,1256 3,1257 2.459,1258 37.744,1259 43,1260 45,1261 0.458,1262 126.757,1263 226.29,1264 301.047,1265 1216,1267 13,1268 0.765,1269 0.585,1270 13,1271 9.948,1272 7.968,1273 0.469,1274 0.325,1275 5.445,1276 7.56,1277 5.27,1278 4.413,1279 7.968,1280 5.531,1281 7.196,1282 0.313,1283 0.169,1284 7.196,1285 3.897,1286 5.045,1287 0.18,1288 0.092,1289 5.045,1290 2.575,1291 4.265,1292 0.118,1293 0.049,1294 4.265,1295 1.767,1296 2.895,1297 0.078,1298 0.029,1299 2.895,1300 1.072,1301 0.68,1302 50.936,1303 0.315,1304 16.935,1305 1.369,1306 80,1307 323.506,1308 93.064,1309 297.52,1310 378.92,1311 272,1312 91,1313 258.606,1314 101.631,1315 254.027,1316 367.94,1317 238,1318 4.569}
{0 CHEMBL1233636,1 1.933,2 5.571,3 1.119,4 1.253,5 49.117,6 10.154,7 0.667,8 3.235,9 3.27,10 3.315,11 2.773,12 4.426,13 2.793,14 3.72,15 3.76,16 3.457,17 3.078,18 5.67,19 3.108,20 3.772,21 3.915,22 3.244,23 3.088,24 4.991,25 3.041,26 3.683,27 3.811,28 3.26,29 2.966,30 5.014,31 2.916,32 3.648,33 3.785,34 3.098,35 2.671,36 5.229,37 2.655,38 3.308,39 3.448,40 2.58,41 2.243,42 4.93,43 2.243,44 2.842,45 2.987,46 1.804,47 1.625,48 4.476,49 1.659,50 2.01,51 2.252,52 0.361,53 0.784,54 3.219,55 0.677,56 0.147,57 0.313,58 5.122,59 2.349,60 30.135,61 1.498,62 0.606,63 0.446,64 5.17,65 3.134,66 84.592,67 2.813,68 0.408,69 0.483,70 7.056,71 3.715,72 45.64,73 3.649,74 0.342,75 0.455,76 7.761,77 3.584,78 34.467,79 3.213,80 0.475,81 0.383,82 10.275,83 3.453,84 54.063,85 2.818,86 0.384,87 0.247,88 8.905,89 2.523,90 57.559,91 1.7,92 0.269,93 0.135,94 5.233,95 1.404,96 45.169,97 0.913,98 0.123,99 0.05,100 2.389,101 0.543,102 21.27,103 0.531,104 12,105 22,106 0.398,107 0.692,108 0.787,109 0.865,110 0.885,111 0.885,112 2.735,113 1.031,114 -2.29,115 -2.32,116 -2.29,117 38.1,133 4,134 1,135 1,142 1,143 1,156 3,159 1,160 4,163 3,164 1,167 3,169 2,172 4,176 1,179 1,181 2,184 2,185 1,188 4,193 2,194 1,197 1,203 3,206 2,207 1,208 1,212 2,216 4,221 2,225 1,228 2,233 1,264 166,265 8.947,266 8.947,267 8.947,268 8.947,269 8.947,270 7.414,271 4.677,272 5.212,273 9.049,274 7.436,275 7.436,276 7.436,277 7.436,278 7.436,279 5.115,280 4.123,281 2.496,282 7.623,283 2.46,284 1.029,285 0.571,286 0.19,287 0.095,288 0.095,289 3.37,292 1,293 1,294 160,295 2.915,297 25.865,298 31.375,301 48.522,303 1,304 21.14,307 1,308 1,309 1,310 0.4,312 1,313 1,314 0.77,315 32.5,316 78,317 4.679,318 5.035,319 6.622,320 4.181,321 3.202,322 4.539,323 3.302,324 10.662,325 3.135,326 4.461,327 3.14,328 6.323,329 3.927,330 2.939,331 4.356,333 9.683,334 2.9,335 3.357,336 2.372,337 5.064,338 2.882,339 1.92,340 2.715,342 5.792,343 1.84,344 3.045,345 1.723,346 4.17,347 2.518,348 1.546,349 2.318,351 3.732,352 1.501,353 2.634,354 1.545,355 3.588,356 2.138,357 1.159,358 1.695,360 2.755,361 1.131,362 2.092,363 1.156,364 3.223,365 1.579,366 0.638,367 0.911,369 1.488,370 0.598,371 1.068,372 0.655,373 2.919,374 0.691,375 -0.255,376 -0.317,378 -0.73,379 -0.239,380 1,381 0.039,382 2,383 0.158,384 -0.836,385 -1.176,387 -2.043,388 -0.829,389 0.662,390 -0.457,391 2,393 -1,394 -1.259,396 -2.657,397 -0.985,398 0.48,399 -0.842,400 2,402 -1,403 -1.445,405 -3,406 -1,407 0.246,408 -1,409 2,410 -0.014,411 -1,412 -1.97,414 -3,415 -1,416 -0.089,417 -1.152,418 1.752,419 -0.544,420 -1.508,421 -2,423 -4.529,424 -1.449,425 -0.377,426 -1.675,427 1.274,428 -0.895,429 -1.865,430 -2.543,432 -5.444,433 -1.783,434 -0.5,435 -1.882,436 0.746,437 -1,438 -1.94,439 -2.823,441 -5.813,442 -1.82,443 -0.758,444 -2,445 0.318,446 -1.022,447 -2,448 -3,449 -3.302,450 -6.898,451 -2,452 6.567,453 0.469,454 0.525,455 0.037,456 20.75,457 1.482,458 11.5,459 0.821,460 9.25,461 0.661,462 6.723,463 0.48,464 15.633,465 0.744,466 12.835,467 0.917,468 4.111,469 0.294,470 2.45,471 0.175,472 0.152,473 0.127,474 0.228,476 0.671,477 1.297,478 0.751,479 1.456,480 0.872,481 0.842,482 0.271,483 0.964,484 0.668,485 0.811,486 0.2,487 0.926,488 0.78,489 0.943,490 0.735,491 0.784,492 0.605,493 1.007,494 0.893,495 1.278,496 1.024,497 1.199,498 0.662,499 1.182,500 1.221,501 0.961,502 1.246,503 1.102,504 1.288,505 1.05,506 1.834,507 0.85,508 1.541,509 1.059,510 1.961,511 0.944,512 2.096,513 0.795,514 1.494,515 0.914,516 2.504,517 1.059,518 1.774,519 0.266,520 1.065,521 0.258,522 2.186,523 0.838,524 4,526 1.556,527 1.167,528 0.572,529 0.553,530 0.144,531 0.083,534 1200,535 5296,536 1.976,537 33.3,539 4,540 1,542 2,547 1.511,548 1.806,549 2.532,550 0.686,554 1,555 40.587,556 1.933,557 3.363,558 3.821,559 4.202,560 4.297,561 4.297,562 1.985,563 3.093,564 3.783,565 2.637,566 239.982,567 6.312,568 1849.39,570 1,573 92.239,574 1.724,575 3.698,576 0.267,578 0.071,579 0.069,580 0.038,581 0.046,582 0.021,583 0.028,586 0.538,587 0.67,588 1,589 1.292,590 52.037,591 0.021,592 -0.14,593 0.3,594 -0.268,595 -0.282,596 0.049,597 0.685,598 0.03,599 -0.048,600 -0.003,601 0.652,602 -0.145,603 -0.046,604 -0.003,605 0.019,606 0.042,607 -0.04,608 -0.032,609 -0.119,610 -0.293,611 -0.036,612 -0.201,613 -0.005,614 -0.193,615 -0.117,616 -0.016,617 -0.1,618 -0.081,619 -0.118,620 -0.072,621 -0.561,622 0.018,623 -0.296,624 0.013,625 -0.395,626 0.066,627 -0.688,628 -0.041,629 -0.428,630 -0.018,631 -0.654,632 -0.083,633 -0.504,634 0.377,635 -0.028,636 0.477,637 -0.624,638 0.34,639 5.375,640 3.462,641 0.643,642 6.837,643 1.054,644 1.119,645 1.058,646 1.119,647 0.703,648 2.773,649 3.135,650 3.258,651 3.555,652 3.664,653 3.611,654 3.611,655 3.434,656 2.944,657 2.565,658 3.624,659 0.698,660 213.23,661 2.773,662 4.317,663 5.13,664 6.033,665 6.872,666 7.775,667 8.627,668 9.527,669 10.386,670 11.283,671 4.8,679 1,686 2,687 5,689 1,692 1,694 10,707 21,709 12,710 1,711 15,712 22,713 8,714 8,715 2,716 4,718 2,719 3,730 8,734 2,736 1,738 2,744 1,747 7,748 4,749 2,750 6,751 1,753 1,758 0.5,759 4,769 1,771 1,772 1,775 1,789 1,791 1,793 1,797 14,800 1,801 1,804 1,815 19,816 1,818 2,820 1,822 7.75,823 3.533,824 2.931,825 1.013,827 2.283,828 1.403,829 0.982,830 2.13,831 7.953,832 3.135,833 3.855,834 4.292,835 4.96,836 5.418,837 5.687,838 6.054,839 6.276,840 5.878,841 5.812,842 0.75,843 17,844 5.509,845 0.002,846 2.678,847 8.494,848 9.235,849 0.001,850 7.469,851 -0.001,853 2.994,854 41.917,855 0.002,858 58.856,859 59.956,860 16.786,862 91.954,864 3.043,865 56.913,866 150.81,867 16.786,870 89.091,871 44.313,872 33.147,873 13.915,874 47.084,876 58.856,877 73.698,878 91.954,879 3.043,880 58.856,881 52.858,882 39.096,884 16.786,885 56.913,886 3.043,888 58.856,889 108.74,890 59.956,892 3.043,893 58.856,894 9.961,895 46.952,896 16.786,897 91.954,898 58.856,899 108.74,900 59.956,901 0.595,902 0.295,903 0.167,904 0.092,905 12,906 5,907 0.091,908 2,909 1,910 1.222,911 2.569,912 88.442,913 0.222,914 9,915 51.303,917 1,918 9.364,919 3.184,920 2.02,921 1.344,922 91.954,923 8.375,925 2.81,928 0.086,930 55.882,931 227.551,932 22,934 -4.459,936 20.923,941 22.138,942 23.502,943 0.44,944 0.766,945 0.87,946 0.957,947 0.978,948 0.978,949 4.363,950 -0.836,951 5.198,952 -0.73,953 3.807,954 4.538,955 3.127,956 6.057,957 3.757,958 5.662,959 -1,960 6.792,961 -2.043,962 3.761,963 4.844,965 7.334,966 3.718,967 7.056,968 -1,969 8.498,970 -2.657,971 5.533,972 7.007,973 5.476,974 10.241,975 5.445,976 8.49,977 -1,978 10.266,979 -3,980 6.217,981 8.047,983 12.21,984 6.131,985 9.953,986 -1.508,987 12.07,988 -3,989 7.583,990 9.787,991 7.861,992 14.739,993 7.463,994 11.435,995 -1.865,996 13.896,997 -4.529,998 8.545,999 11.103,1001 16.939,1002 8.418,1003 12.931,1004 -1.94,1005 15.736,1006 -5.444,1007 9.769,1008 12.696,1009 10.25,1010 19.349,1011 9.616,1012 3.202,1013 -2,1014 17.585,1015 -5.813,1016 10.839,1017 14.12,1019 21.635,1020 10.672,1021 2.939,1022 10.662,1023 19.441,1024 -6.898,1025 12.012,1026 15.657,1027 12.639,1028 24.004,1029 11.822,1030 1.92,1031 9.683,1032 21.302,1033 4.539,1034 13.125,1035 17.124,1037 26.324,1038 12.917,1039 1.546,1040 5.792,1041 23.167,1042 4.356,1043 14.28,1044 18.638,1045 15.028,1046 28.679,1047 14.05,1048 1.159,1049 3.732,1050 25.034,1051 2.715,1052 15.412,1053 20.123,1055 31.016,1056 15.163,1057 0.638,1058 2.755,1059 26.903,1060 2.318,1061 16.561,1062 21.628,1063 17.417,1064 33.367,1065 16.29,1066 -0.255,1067 1.488,1068 28.774,1069 1.695,1070 17.701,1071 23.121,1073 35.711,1074 17.41,1075 1277,1076 2818,1077 9.534,1078 14.756,1079 22.938,1080 25.039,1081 22.78,1082 22.772,1083 22.808,1084 33.068,1085 6.604,1086 68.225,1087 22.209,1088 5.437,1089 7.035,1090 6.303,1091 5.203,1092 5.202,1093 7.539,1094 6.604,1095 17.56,1096 5.135,1097 6.995,1098 1.529,1099 1.669,1100 1.519,1101 1.518,1102 1.521,1103 2.205,1104 0.44,1105 4.548,1106 1.481,1107 4.126,1108 4.148,1109 4.697,1110 4.031,1111 7.769,1112 4.033,1113 3.821,1114 3.711,1115 4.045,1116 3.72,1117 6.999,1118 3.585,1119 3.378,1120 3.432,1121 3.285,1122 3.242,1123 6.313,1124 3.237,1125 2.933,1126 2.987,1127 2.826,1128 2.806,1129 5,1130 2.799,1131 2.409,1132 2.485,1133 2.257,1134 2.282,1135 4.368,1136 2.267,1137 2.292,1138 2.364,1139 2.132,1140 1.912,1141 4.051,1142 1.95,1143 2.121,1144 2.175,1145 1.888,1146 1.429,1147 3.586,1148 1.514,1149 1.609,1150 1.765,1151 1.331,1152 1.189,1153 3.133,1154 1.142,1155 0.312,1156 0.336,1157 0.441,1158 0.279,1159 0.213,1160 4.679,1161 0.303,1162 5.035,1163 0.22,1164 6.622,1165 0.711,1166 4.181,1167 0.209,1168 3.202,1169 4.539,1170 3.302,1171 10.662,1172 3.135,1173 1.926,1174 1.906,1175 2.02,1176 2.012,1177 1.134,1178 2.017,1179 1.553,1180 1.618,1181 1.605,1182 1.787,1183 0.648,1184 1.792,1185 1.33,1186 1.333,1187 1.189,1188 1.572,1189 0.305,1190 1.58,1191 0.985,1192 0.944,1193 1.07,1194 1.142,1195 0.164,1196 1.152,1197 0.755,1198 0.686,1199 0.875,1200 0.947,1201 0.104,1202 0.992,1205 0.465,1206 0.553,1208 0.514,1211 0.315,1212 0.29,1214 0.351,1217 0.292,1218 0.069,1220 0.152,1221 3.434,1222 4.779,1223 2.398,1224 6.293,1225 4.727,1226 7.884,1227 6.823,1228 9.517,1233 8.485,1236 4.351,1243 14.648,1244 40.587,1245 70.629,1246 80.239,1247 88.239,1248 90.239,1249 90.239,1250 19.55,1251 5.67,1252 79.39,1253 87.77,1254 11,1255 11.814,1256 3.7,1257 3,1258 21.265,1259 30,1260 22,1261 0.376,1262 94.923,1263 154.55,1264 223.372,1265 1549,1267 10.182,1268 0.727,1269 0.556,1270 10.432,1271 7.783,1272 6.561,1273 0.437,1274 0.344,1275 3.825,1276 5.504,1277 3.671,1278 3.051,1279 7.488,1280 5.157,1281 6.811,1282 0.31,1283 0.17,1284 8.193,1285 3.732,1286 4.356,1287 0.174,1288 0.085,1289 4.793,1290 2.137,1291 3.898,1292 0.115,1293 0.047,1294 4.418,1295 1.592,1296 2.958,1297 0.078,1298 0.026,1299 3.445,1300 0.995,1301 0.549,1302 51.352,1303 0.324,1304 13.9,1305 1.149,1306 74,1307 306.55,1308 118.084,1309 309.604,1310 406.31,1311 278,1312 84,1313 267.628,1314 136.192,1315 307.877,1316 443.59,1317 285,1318 3.58}
{0 CHEMBL129,1 1.846,2 7.737,3 0.659,4 1.243,5 87.066,6 8.353,8 3.611,9 3.724,10 3.239,11 2.965,12 4.911,13 3.023,14 4.161,15 4.316,16 3.608,17 3.365,18 5.415,19 3.397,20 4.436,21 4.616,22 3.688,23 3.483,24 5.691,25 3.51,26 4.491,27 4.699,28 3.637,29 3.422,30 5.912,31 3.441,32 4.353,33 4.581,34 3.449,35 3.319,36 5.641,37 3.308,38 4.211,39 4.424,40 3.289,41 3.13,42 5.694,43 3.128,44 3.983,45 4.207,46 3.066,47 2.883,48 5.495,49 2.873,50 3.688,51 3.937,52 2.69,53 2.457,54 5.311,55 2.465,56 0.218,57 0.473,58 5.649,59 2.37,60 28.836,61 3.033,62 0.549,63 0.691,64 12.135,65 3.996,66 55.808,67 5.437,68 0.798,69 0.771,70 17.691,71 4.51,72 85.563,73 6.765,74 1.057,75 0.725,76 20.48,77 4.092,78 136.675,79 6.502,80 0.751,81 0.645,82 17.976,83 4.043,84 106.667,85 6.518,86 0.774,87 0.529,88 15.786,89 3.411,90 114.619,91 5.246,92 0.594,93 0.41,94 12.628,95 2.665,96 95.281,97 4.422,98 0.442,99 0.262,100 9.972,101 1.612,102 78.472,103 2.973,104 31,105 28,106 0.352,107 0.743,108 0.901,109 0.901,110 0.901,111 0.901,112 3.011,113 0.858,114 -0.66,115 -0.78,116 -0.91,117 31.3,118 1,119 1,123 1,125 2,126 1,129 1,130 1,147 1,148 1,157 1,160 1,162 1,163 2,164 5,165 1,167 3,169 1,175 1,176 2,179 1,181 1,186 1,187 4,188 3,190 1,191 2,193 2,196 1,197 1,203 2,204 1,205 1,206 1,210 1,211 1,215 2,216 2,217 1,219 1,222 1,228 1,230 1,231 1,232 1,233 1,235 1,238 1,239 1,241 1,245 1,246 1,248 1,249 1,254 1,255 1,261 1,264 414,265 12.602,266 12.602,267 12.602,268 12.602,269 12.602,270 11.596,271 15.451,272 7.343,273 12.88,274 9.737,275 9.737,276 9.737,277 9.737,278 9.737,279 8.37,280 15.83,281 3.293,282 10.214,283 3.154,284 1.101,285 0.274,286 0.274,287 0.274,288 0.274,289 3.659,292 1,293 1,294 297,295 2.55,297 52.402,298 63.208,303 1.147,304 34.101,307 1,308 0.83,309 1,310 0.9,311 1,312 1,313 1,314 0.96,315 44.5,316 147,317 4.307,318 3.84,319 6.559,320 4.076,321 3.138,322 3.601,323 1.722,324 10.399,325 2.949,326 3.988,327 3.452,328 6.136,329 3.803,330 2.835,331 3.101,332 1.089,333 8.991,334 2.731,335 3.659,336 3.237,337 5.777,338 3.394,339 2.413,340 2.825,341 0.971,342 7.594,343 2.348,344 3.237,345 2.583,346 4.939,347 2.81,348 1.838,349 2.351,350 0.429,351 5.312,352 1.767,353 3.077,354 2.071,355 4.401,356 2.553,357 1.617,358 2.103,360 4.211,361 1.505,362 2.707,363 1.93,364 4.276,365 2.338,366 1.364,367 1.636,369 3.83,370 1.316,371 2.317,372 1.377,373 3.164,374 1.895,375 0.916,376 1.213,378 1.617,379 0.891,380 1.701,381 0.989,382 3.067,383 1.406,384 0.432,385 0.496,387 0.975,388 0.407,389 1.317,390 0.946,391 2.664,392 1.16,393 0.28,394 0.29,396 0.448,397 0.247,398 1.169,399 0.811,400 2.637,401 0.547,402 -0.419,403 -0.518,405 -0.694,406 -0.395,407 1,408 -0.188,409 2.219,410 0.523,411 -0.503,412 -0.638,414 -1.241,415 -0.504,416 0.58,417 -0.21,418 1.81,419 0.227,420 -0.763,421 -0.934,423 -1.955,424 -0.757,425 0.071,426 -0.587,427 1.537,428 -0.218,429 -1.158,430 -1.326,432 -2.502,433 -1.095,434 -0.041,435 -0.971,436 1.458,437 -0.305,438 -1.319,439 -1.54,441 -3.564,442 -1.265,443 -0.287,444 -1.045,445 1.329,446 -0.458,447 -1.438,448 -1.719,450 -4.167,451 -1.454,452 8.333,453 0.439,454 0.524,455 0.028,456 19.25,457 1.013,458 6.5,459 0.342,460 12.75,461 0.671,462 15.29,463 0.805,464 22.267,465 0.696,466 15.391,467 0.81,468 4.279,469 0.225,470 4.783,471 0.252,472 0.228,474 0.408,476 0.798,477 1.492,478 0.699,479 1.352,480 0.62,481 1.044,482 0.787,483 1.089,484 0.806,485 1.111,486 0.59,487 1.001,488 1.075,489 1.323,490 0.996,491 1.232,492 0.778,493 1.111,494 1.072,495 0.817,496 1.115,497 0.846,498 1.015,499 0.96,500 0.935,501 0.954,502 0.988,503 1.002,504 0.994,505 1.005,506 1.103,507 0.85,508 1.116,509 0.937,510 1.203,511 1.027,512 0.895,513 1.039,514 0.994,515 1.064,516 1.144,517 1.071,518 1.079,519 0.889,520 1.033,521 0.903,522 1.264,523 0.94,524 4.5,526 2.667,527 1.667,528 1.424,529 0.778,530 0.366,531 0.284,532 0.127,533 0.036,534 2735,535 11682,536 1.935,537 40.6,538 3,539 4,540 2,542 2,546 2,547 1.607,548 1.754,549 2.973,550 0.6,552 1,555 59.065,556 1.846,557 3.899,558 4.726,559 4.726,560 4.726,561 4.726,562 2.439,563 3.892,564 4.217,565 3.049,566 521.317,567 7.207,568 5051.81,570 1,573 160,574 1.568,575 4.14,576 0.225,578 0.095,579 0.057,580 0.055,581 0.035,582 0.02,583 0.02,584 0.014,585 0.009,586 0.532,587 0.67,588 1,589 1.296,590 81.314,591 -0.078,592 -0.102,593 0.023,594 -0.114,595 -0.018,596 -0.033,597 0.069,598 0.095,599 0.038,600 0.017,601 0.037,602 0.002,603 -0.124,604 -0.295,605 -0.073,606 -0.184,607 -0.046,608 -0.119,609 -0.03,610 0.121,611 -0.124,612 0.057,613 -0.04,614 -0.037,615 -0.046,616 -0.015,617 -0.006,618 -0.039,619 -0.105,620 -0.009,621 -0.064,622 0.05,623 -0.11,624 -0.006,625 -0.08,626 -0.07,627 0.081,628 -0.157,629 0.021,630 -0.131,631 0.004,632 -0.089,633 -0.05,634 -0.101,635 0.044,636 -0.092,637 0.02,638 -0.006,639 2.265,640 4.7,641 0.579,642 13.147,643 1.042,644 1.156,645 -0.57,646 0.324,647 0.622,648 3.045,649 3.367,650 3.638,651 3.871,652 4.043,653 4.094,654 4.06,655 4.025,656 3.951,657 3.638,658 4.647,659 0.627,660 267.28,661 3.045,662 4.575,663 5.425,664 6.308,665 7.185,666 8.074,667 8.958,668 9.85,669 10.737,670 11.63,671 15.6,678 2,684 1,685 1,707 32,709 5,711 20,712 33,713 10,717 3,718 2,719 2,722 1,723 2,726 3,728 3,730 4,731 6,734 5,738 2,739 1,740 1,741 3,744 1,747 13,748 8,749 2,750 9,753 5,754 1,756 1,758 1,759 4,760 1,763 1,771 1,772 1,784 1,789 1,790 1,791 2,794 1,797 19,801 1,802 2,803 1,804 1,806 3,807 1,815 12.5,816 1,818 2,819 1,822 10.833,823 5.85,824 4.361,825 1.768,827 0.842,828 1.136,829 0.862,830 3.955,831 7.042,832 3.258,833 3.689,834 4.025,835 4.369,836 4.635,837 4.796,838 4.796,839 4.934,840 5.017,841 4.905,842 1,843 29,844 7.026,846 3.063,847 8.447,848 12.57,850 10.12,853 2.947,854 56,858 129.482,859 32.573,860 84.663,862 103.973,865 32.573,866 233.455,867 84.663,868 8.825,869 22.731,870 55.002,871 121.9665,872 14.185,873 11.3345,874 176.567,876 129.482,877 117.236,878 103.973,880 153.024,881 118.118,884 33.7975,885 51.9705,886 18.164,888 129.482,889 188.636,890 32.573,893 129.482,894 14.701,895 20.997,896 18.011,897 167.501,898 129.482,899 188.636,900 32.573,901 0.576,902 0.352,903 0.19,904 0.106,905 13,906 7,907 0.091,908 3,910 1,911 2.991,912 136.195,914 11,915 80.711,918 13.686,919 5.491,920 2.659,922 173.321,930 60.694,931 350.691,932 25,936 22.978,937 1.388,938 3.53,939 -0.681,941 33.353,942 36.99,943 0.369,944 0.78,945 0.945,946 0.945,947 0.945,948 0.945,949 4.522,950 0.432,951 5.434,952 1.617,953 4.043,954 4.369,955 2.354,956 6.271,957 3.949,958 5.69,959 0.28,960 7.02,961 0.975,962 3.761,963 4.111,964 1.305,965 7.222,966 3.643,967 6.981,968 -0.419,969 8.704,970 0.448,971 5.666,972 6.275,973 2.866,974 10.309,975 5.469,976 8.297,977 -0.503,978 10.441,979 -0.694,980 6.176,981 6.77,982 2.491,983 12.035,984 5.944,985 9.642,986 -0.763,987 12.21,988 -1.241,989 7.586,990 8.437,991 3.621,992 14.643,993 7.282,994 11.004,995 -1.158,996 14,997 -1.955,998 8.438,999 9.292,1000 3.662,1001 16.694,1002 8.089,1003 12.382,1004 -1.319,1005 15.804,1006 -2.502,1007 9.665,1008 10.748,1009 4.531,1010 19.126,1011 9.248,1012 3.138,1013 -1.438,1014 17.62,1015 -3.564,1016 10.667,1017 11.792,1018 4.805,1019 21.323,1020 10.196,1021 2.835,1022 10.399,1023 19.444,1024 -4.167,1025 11.824,1026 13.149,1027 5.528,1028 23.688,1029 11.289,1030 2.413,1031 8.991,1032 21.274,1033 3.601,1034 12.893,1035 14.295,1036 5.927,1037 25.952,1038 12.298,1039 1.838,1040 7.594,1041 23.11,1042 3.101,1043 14.027,1044 15.606,1045 6.57,1046 28.292,1047 13.368,1048 1.617,1049 5.312,1050 24.95,1051 2.825,1052 15.126,1053 16.808,1054 7.034,1055 30.59,1056 14.405,1057 1.364,1058 4.211,1059 26.794,1060 2.351,1061 16.253,1062 18.098,1063 7.634,1064 32.923,1065 15.468,1066 0.916,1067 3.83,1068 28.641,1069 2.103,1070 17.367,1071 19.332,1072 8.133,1073 35.238,1074 16.519,1075 2894,1076 6034,1077 12.542,1078 19.892,1079 30.12,1080 32.013,1081 31.842,1082 29.591,1083 29.669,1084 35.228,1085 8.421,1086 86.754,1087 28.324,1088 5.276,1089 5.672,1090 6.322,1091 5.159,1092 5.138,1093 6.19,1094 3.035,1095 17.365,1096 4.839,1097 11.652,1098 1.506,1099 1.601,1100 1.592,1101 1.48,1102 1.483,1103 1.761,1104 0.421,1105 4.338,1106 1.416,1107 3.945,1108 3.986,1109 3.887,1110 3.748,1111 7.447,1112 3.774,1113 3.757,1114 3.799,1115 3.693,1116 3.575,1117 7.411,1118 3.593,1119 3.313,1120 3.412,1121 3.283,1122 3.045,1123 6.727,1124 3.062,1125 3.279,1126 3.336,1127 3.157,1128 2.928,1129 6.456,1130 2.975,1131 3.169,1132 3.237,1133 3.036,1134 2.812,1135 4.669,1136 2.89,1137 2.886,1138 2.923,1139 2.803,1140 2.525,1141 4.341,1142 2.597,1143 2.685,1144 2.758,1145 2.461,1146 2.404,1147 4.165,1148 2.4,1149 2.465,1150 2.546,1151 2.235,1152 2.13,1153 3.699,1154 2.146,1155 0.215,1156 0.192,1157 0.328,1158 0.204,1159 0.157,1160 4.307,1161 0.18,1162 3.84,1163 0.086,1164 6.559,1165 0.52,1166 4.076,1167 0.147,1168 3.138,1169 3.601,1170 1.722,1171 10.399,1172 2.949,1173 1.771,1174 1.733,1175 1.902,1176 1.986,1177 1.227,1178 1.954,1179 1.631,1180 1.578,1181 1.82,1182 1.863,1183 1.003,1184 1.843,1185 1.385,1186 1.342,1187 1.63,1188 1.647,1189 0.854,1190 1.637,1191 1.126,1192 1.058,1193 1.39,1194 1.479,1195 0.425,1196 1.448,1197 0.996,1198 0.902,1199 1.175,1200 1.404,1201 0.235,1202 1.354,1203 0.719,1204 0.65,1205 0.986,1206 1.119,1208 1.076,1209 0.627,1210 0.564,1211 0.865,1212 0.971,1214 0.949,1215 0.537,1216 0.484,1217 0.721,1218 0.929,1220 0.88,1221 3.714,1222 5.03,1223 2.398,1224 6.544,1225 4.727,1226 8.15,1227 6.823,1228 9.806,1229 1.568,1233 9.142,1234 -0.044,1235 2.17,1236 5.464,1238 -1.866,1239 1.228,1243 20.073,1244 59.065,1245 124.781,1246 151.245,1247 151.245,1248 151.245,1249 151.245,1250 49.617,1251 6.201,1252 133.08,1253 133.08,1254 11,1255 12.158,1256 2.585,1257 2.585,1258 33.488,1259 52,1260 55,1261 0.331,1262 127.227,1263 233.8,1264 302.193,1265 2971,1267 13.991,1268 0.736,1269 0.537,1270 13.991,1271 10.198,1272 9.062,1273 0.453,1274 0.286,1275 5.559,1276 8.38,1277 5.48,1278 4.484,1279 9.062,1280 5.719,1281 8.016,1282 0.286,1283 0.154,1284 8.016,1285 4.314,1286 6.757,1287 0.183,1288 0.083,1289 6.757,1290 3.059,1291 5.377,1292 0.114,1293 0.044,1294 5.377,1295 2.054,1296 4.126,1297 0.074,1298 0.023,1299 4.126,1300 1.282,1301 0.497,1302 59.408,1303 0.282,1304 18.653,1305 0.973,1306 96,1307 404.561,1308 114.678,1309 373.18,1310 476.54,1311 344,1312 113,1313 321.489,1314 131.764,1315 315.732,1316 459.61,1317 294,1318 3.838}
{0 CHEMBL1349,1 1.751,2 10.696,3 0.042,4 0.002,5 81.357,6 7.544,7 0.417,8 3.881,9 4.012,10 3.421,11 3.196,12 5.09,13 3.241,14 4.405,15 4.593,16 3.771,17 3.55,18 5.625,19 3.57,20 4.584,21 4.782,22 3.82,23 3.649,24 5.846,25 3.646,26 4.695,27 4.933,28 3.719,29 3.592,30 5.941,31 3.571,32 4.557,33 4.789,34 3.402,35 3.425,36 5.716,37 3.381,38 4.369,39 4.61,40 3.274,41 3.342,42 5.468,43 3.257,44 4.368,45 4.643,46 3.172,47 3.218,48 5.332,49 3.134,50 4.129,51 4.368,52 3.119,53 3.083,54 5.21,55 3.056,56 0.192,57 0.602,58 9.33,59 2.891,60 22.481,61 4.405,62 0.662,63 0.853,64 18.276,65 4.952,66 55.586,67 7.4,68 0.732,69 0.921,70 22.133,71 5.609,72 72.111,73 8.973,74 0.938,75 0.826,76 26.82,77 5.724,78 94.696,79 9.465,80 0.971,81 0.693,82 24.164,83 4.894,84 102.89,85 7.885,86 0.634,87 0.63,88 18.782,89 4.628,90 62.982,91 7.591,92 0.681,93 0.537,94 20.427,95 4.524,96 57.953,97 7.558,98 0.485,99 0.497,100 15.179,101 3.295,102 45.897,103 5.396,104 45,105 33,106 0.31,107 0.673,108 0.832,109 0.848,110 0.848,111 0.848,112 3.187,113 0.884,114 -2.4,115 -2.43,116 -2.38,117 30.2,118 2,120 1,123 2,124 1,125 1,137 1,138 1,141 1,147 1,149 1,150 1,152 2,153 2,154 2,160 2,163 5,166 2,167 3,169 1,172 1,174 1,175 3,176 2,178 2,179 3,181 2,186 2,187 3,188 4,190 1,191 3,192 1,195 1,202 2,205 1,206 1,215 1,216 1,218 2,219 3,227 3,228 2,240 1,242 1,243 1,251 3,252 2,254 1,255 2,264 718,265 14.897,266 14.897,267 14.897,268 14.897,269 14.897,270 13.54,271 17.377,272 8.766,273 15.527,274 11.78,275 11.78,276 11.78,277 11.78,278 11.78,279 9.634,280 18.781,281 4.119,282 12.789,283 3.676,284 1.629,285 0.733,286 0.64,287 0.64,288 0.64,289 3.843,292 1,293 1,294 504,295 4.062,297 55.612,298 66.929,301 103.063,303 1.588,304 34.566,307 1,308 0.83,309 1,310 1,311 1,312 0.83,313 0.5,314 0.88,315 53,316 246,317 4.624,318 3.818,319 6.701,320 4.099,321 3.17,322 4.596,323 2.471,324 10.847,325 2.945,326 3.99,327 3.253,328 6.196,329 3.835,330 2.853,331 3.206,332 1.041,333 8.739,334 2.792,335 3.753,336 2.671,337 5.626,338 3.29,339 2.394,340 3.136,341 0.404,342 7.295,343 2.143,344 3.489,345 2.441,346 5.016,347 3.01,348 2.099,349 2.872,351 5.928,352 1.908,353 3.077,354 2.257,355 4.694,356 2.892,357 1.943,358 2.086,360 4.751,361 1.833,362 2.855,363 2.219,364 4.499,365 2.54,366 1.64,367 1.952,369 4.254,370 1.457,371 2.604,372 1.77,373 3.7,374 2.256,375 1.334,376 1.613,378 3.138,379 1.221,380 2.432,381 1.37,382 3.692,383 1.95,384 1.054,385 1.407,387 2.556,388 0.942,389 1.881,390 1.12,391 3.228,392 1.676,393 0.8,394 0.847,396 1.796,397 0.695,398 1.65,399 1.093,400 2.78,401 1.39,402 0.44,403 0.491,405 0.95,406 0.41,407 1.211,408 0.556,409 2.681,410 0.822,411 -0.079,412 -0.094,414 -0.183,415 -0.07,416 0.968,417 0.045,418 2.352,419 0.552,420 -0.348,421 -0.436,423 -0.848,424 -0.308,425 0.755,426 -0.12,427 2.094,428 0.368,429 -0.527,430 -0.628,432 -1.254,433 -0.469,434 0.285,435 -0.27,436 2,438 -0.933,439 -1,441 -2,442 -0.856,443 0.135,444 -0.747,445 1.679,446 -0.008,447 -1,448 -1.074,450 -2.261,451 -1,452 10.233,453 0.445,454 0.689,455 0.03,456 26.75,457 1.163,458 10.5,459 0.457,460 16.25,461 0.707,462 18.623,463 0.81,464 27.567,465 0.641,466 20.076,467 0.873,468 5.34,469 0.232,470 5.557,471 0.242,472 0.241,474 0.381,476 1.009,477 1.819,478 0.826,479 1.424,480 0.955,481 1.097,482 0.887,483 0.983,484 0.802,485 0.943,486 0.617,487 0.869,488 0.902,489 1.321,490 0.913,491 1.248,492 0.799,493 1.11,494 1.104,495 0.905,496 0.993,497 0.998,498 1.212,499 0.973,500 1.529,501 0.81,502 1.243,503 0.826,504 1.631,505 0.965,506 0.79,507 1.022,508 1.098,509 1.219,510 0.719,511 1.233,512 0.981,513 0.778,514 0.852,515 0.832,516 0.742,517 0.832,518 1.299,519 0.924,520 1.021,521 0.884,522 1.088,523 0.883,524 5,525 0.173,526 3.111,527 1.819,528 1.169,529 0.528,530 0.279,531 0.209,532 0.181,533 0.17,534 5787,535 18900,536 1.922,537 46.5,538 6,539 5,540 2,541 1,542 5,544 1,547 1.649,548 1.747,549 3.372,550 2.846,552 1,555 75.275,556 1.751,557 3.797,558 4.693,559 4.787,560 4.787,561 4.787,562 2.699,563 4.176,564 4.499,565 3.583,566 906.494,567 7.701,568 11089.7,570 1,573 233.329,574 1.565,575 4.417,576 0.208,577 0.01,578 0.094,579 0.055,580 0.042,581 0.026,582 0.016,583 0.013,584 0.011,585 0.01,586 0.487,587 0.17,588 1,589 2.276,590 110.702,591 -0.185,592 -0.396,593 0.013,594 -0.169,595 -0.19,596 -0.029,597 0.111,598 0.183,599 0.133,600 0.134,601 0.109,602 0.128,603 0.077,604 -0.218,605 0.028,606 -0.179,607 0.081,608 -0.106,609 -0.005,610 0.017,611 0.015,612 -0.066,613 -0.034,614 -0.025,615 -0.251,616 0.039,617 -0.203,618 0.091,619 -0.263,620 -0.035,621 0.098,622 -0.03,623 -0.144,624 -0.209,625 0.011,626 -0.232,627 0.041,628 -0.001,629 0.173,630 0.11,631 0.025,632 0.163,633 -0.226,634 -0.006,635 -0.02,636 0.076,637 -0.141,638 0.085,639 2.123,640 4.549,641 0.391,642 19.966,643 1.026,644 1.157,645 1.168,646 1.364,647 0.609,648 3.219,649 3.526,650 3.738,651 3.912,652 3.989,653 4.025,654 3.989,655 4.025,656 3.892,657 3.829,658 6.68,659 0.597,660 324.39,661 3.219,662 4.745,663 5.572,664 6.435,665 7.284,666 8.154,667 9.014,668 9.889,669 10.755,670 11.634,671 14,672 1,675 1,679 1,681 3,686 2,687 1,688 3,692 2,693 1,694 10,700 1,704 1,707 43,709 11,711 24,712 44,713 13,714 5,718 2,719 3,723 2,728 1,730 6,731 7,732 1,734 1,738 1,741 1,743 1,744 1,747 20,748 9,749 5,750 10,752 1,753 6,758 0.5,759 4,768 1,771 1,772 1,775 1,782 1,785 1,790 1,791 1,794 2,797 23,798 2,801 1,802 3,804 2,806 2,815 9.3,817 1,818 1,819 1,820 1,822 13.167,823 7.917,824 5.139,825 2.347,827 2.117,828 1.322,829 0.89,830 5.844,831 8.686,832 3.434,833 4.012,834 4.568,835 5.138,836 5.571,837 5.884,838 6.134,839 6.431,840 6.147,841 5.902,842 0.857,843 33,844 8.474,846 3.528,847 8.13,848 15.47,850 11.934,853 2.63,854 60.5,858 176.567,859 52.567,860 118.05,862 89.828,865 52.567,866 266.395,867 118.05,868 17.65,869 46.246,870 32.897,871 158.481,872 15.043,873 25.441,874 141.253,876 176.567,877 170.617,878 89.828,880 164.795,881 90.599,882 11,884 80.172,885 40.089,886 50.357,888 176.567,889 207.878,890 52.567,893 176.567,894 26.298,895 28.168,897 205.979,898 176.567,899 207.878,900 52.567,901 0.584,902 0.337,903 0.164,904 0.077,905 14,906 8,907 0.182,908 8,909 1,910 1.222,911 3.508,912 165.898,913 0.222,914 9,915 102.042,918 17.56,919 7.655,920 4.358,921 0.589,922 205.979,923 1.444,924 11.582,928 -0.351,929 1.55,930 108.478,931 437.012,932 30,936 11.549,939 -0.456,941 44.105,942 49.734,943 0.323,944 0.7,945 0.865,946 0.882,947 0.882,948 0.882,949 4.668,950 1.054,951 5.572,952 3.138,953 4.205,954 4.696,955 2.621,956 6.372,957 4.053,958 5.874,959 0.8,960 7.14,961 2.556,962 3.892,963 4.663,964 2.243,965 7.298,966 3.725,967 7.185,968 0.44,969 8.81,970 1.796,971 5.79,972 6.925,973 3.941,974 10.383,975 5.514,976 8.536,977 -0.079,978 10.54,979 0.95,980 6.275,981 7.746,982 4.321,983 12.14,984 5.988,985 9.923,986 -0.348,987 12.307,988 -0.183,989 7.684,990 9.543,991 5.565,992 14.762,993 7.303,994 11.335,995 -0.527,996 14.1,997 -0.848,998 8.525,999 10.755,1000 6.24,1001 16.866,1002 8.12,1003 12.767,1004 -0.933,1005 15.912,1006 -1.254,1007 9.754,1008 12.381,1009 7.3,1010 19.328,1011 9.269,1012 3.17,1013 -1,1014 17.738,1015 -2,1016 10.757,1017 13.77,1018 8.097,1019 21.584,1020 10.23,1021 2.853,1022 10.847,1023 19.576,1024 -2.261,1025 11.92,1026 15.332,1027 9.077,1028 23.988,1029 11.321,1030 2.394,1031 8.739,1032 21.423,1033 4.596,1034 12.995,1035 16.799,1036 9.929,1037 26.311,1038 12.341,1039 2.099,1040 7.295,1041 23.277,1042 3.206,1043 14.136,1044 18.338,1045 10.87,1046 28.696,1047 13.412,1048 1.943,1049 5.928,1050 25.137,1051 3.136,1052 15.244,1053 19.838,1054 11.749,1055 31.049,1056 14.458,1057 1.64,1058 4.751,1059 27.002,1060 2.872,1061 16.381,1062 21.368,1063 12.672,1064 33.429,1065 15.523,1066 1.334,1067 4.254,1068 28.871,1069 2.086,1070 17.505,1071 22.882,1072 13.564,1073 35.797,1074 16.579,1075 5925,1076 10872,1077 15.027,1078 26.182,1079 35.706,1080 37.271,1081 37.265,1082 35.458,1083 35.457,1084 44.411,1085 7.831,1086 100.507,1087 32.694,1088 5.571,1089 5.818,1090 6.469,1091 5.215,1092 5.17,1093 7.596,1094 4.212,1095 17.974,1096 4.827,1097 15.186,1098 1.488,1099 1.553,1100 1.553,1101 1.477,1102 1.477,1103 1.85,1104 0.326,1105 4.188,1106 1.362,1107 4.082,1108 4.135,1109 4.066,1110 3.876,1111 7.432,1112 3.919,1113 3.793,1114 3.839,1115 3.692,1116 3.625,1117 6.477,1118 3.629,1119 3.564,1120 3.612,1121 3.446,1122 3.313,1123 5.23,1124 3.334,1125 3.407,1126 3.48,1127 3.31,1128 3.124,1129 4.988,1130 3.167,1131 3.237,1132 3.305,1133 3.102,1134 2.966,1135 4.892,1136 2.988,1137 3.064,1138 3.145,1139 2.948,1140 2.772,1141 4.578,1142 2.804,1143 2.874,1144 3.009,1145 2.696,1146 2.618,1147 4.266,1148 2.57,1149 2.867,1150 2.932,1151 2.534,1152 2.489,1153 4.159,1154 2.529,1155 0.193,1156 0.159,1157 0.279,1158 0.171,1159 0.132,1160 4.624,1161 0.191,1162 3.818,1163 0.103,1164 6.701,1165 0.452,1166 4.099,1167 0.123,1168 3.17,1169 4.596,1170 2.471,1171 10.847,1172 2.945,1173 1.782,1174 1.741,1175 1.975,1176 2.009,1177 1.219,1178 1.962,1179 1.745,1180 1.695,1181 1.831,1182 1.942,1183 1.011,1184 1.946,1185 1.527,1186 1.475,1187 1.735,1188 1.81,1189 0.9,1190 1.786,1191 1.381,1192 1.317,1193 1.572,1194 1.657,1195 0.629,1196 1.64,1197 1.156,1198 1.09,1199 1.446,1200 1.467,1201 0.47,1202 1.469,1203 1.02,1204 0.927,1205 1.417,1206 1.369,1207 0.469,1208 1.347,1209 0.934,1210 0.804,1211 1.259,1212 1.239,1213 0.167,1214 1.308,1215 0.738,1216 0.65,1217 1.088,1218 1.149,1219 0.05,1220 1.119,1221 3.892,1222 5.198,1223 2.398,1224 6.683,1225 4.727,1226 8.259,1227 6.843,1228 9.887,1229 3.686,1232 11.147,1233 9.616,1234 0.386,1236 10.389,1238 -0.631,1243 25.675,1244 75.275,1245 163.272,1246 201.82,1247 205.82,1248 205.82,1249 205.82,1250 52.941,1251 6.569,1252 151.4,1253 151.4,1254 11,1255 12.174,1256 3.585,1257 2.807,1258 45.809,1259 94,1260 76,1261 0.239,1262 162.798,1263 274.9,1264 388.987,1265 5773,1267 16.983,1268 0.738,1269 0.564,1270 16.983,1271 12.969,1272 10.897,1273 0.454,1274 0.295,1275 6.875,1276 10.147,1277 6.703,1278 5.599,1279 10.897,1280 7.071,1281 9.937,1282 0.301,1283 0.16,1284 9.937,1285 5.267,1286 7.889,1287 0.192,1288 0.077,1289 7.889,1290 3.156,1291 5.956,1292 0.122,1293 0.036,1294 5.956,1295 1.773,1296 4.035,1297 0.076,1298 0.018,1299 4.035,1300 0.979,1301 0.389,1302 70.866,1303 0.258,1304 23.123,1305 0.619,1306 114,1307 432.561,1308 135.645,1309 400.928,1310 529.34,1311 372,1312 131,1313 376.504,1314 152.816,1315 374.592,1316 549.18,1317 348,1318 4.237}
{0 CHEMBL1435,1 2.092,2 12.034,3 -0.689,4 0.475,5 113.41,6 10.571,7 0.313,8 3.94,9 4.033,10 3.885,11 3.511,12 5.218,13 3.478,14 4.428,15 4.556,16 4.327,17 3.901,18 5.742,19 3.827,20 4.548,21 4.683,22 4.222,23 3.955,24 5.796,25 3.869,26 4.683,27 4.841,28 4.322,29 3.988,30 5.969,31 3.907,32 4.656,33 4.773,34 4.353,35 3.874,36 6.296,37 3.835,38 4.546,39 4.714,40 4.161,41 3.82,42 5.808,43 3.721,44 4.461,45 4.62,46 4.194,47 3.727,48 5.854,49 3.698,50 4.385,51 4.53,52 4.079,53 3.607,54 6.021,55 3.586,56 0.282,57 0.803,58 4.021,59 4.021,60 26.596,61 3.377,62 0.574,63 1.254,64 21.382,65 7.876,66 59.902,67 6.563,68 0.727,69 1.267,70 17.387,71 8.245,72 76.941,73 7.003,74 0.83,75 1.337,76 30.505,77 10.682,78 99.918,79 8.592,80 1.153,81 1.196,82 22.319,83 9.4,84 188.584,85 6.638,86 0.849,87 1.169,88 31.254,89 9.485,90 100.238,91 7.756,92 0.714,93 1.096,94 18.015,95 6.91,96 81.102,97 6.091,98 0.779,99 0.98,100 18.614,101 6.617,102 111.148,103 5.869,104 27,105 46,106 0.362,107 0.731,108 0.871,109 0.895,110 0.895,111 0.895,112 3.408,113 1.042,114 -2.3,115 -2.33,116 -2.3,117 32.6,118 1,123 3,125 1,126 1,129 1,131 1,147 3,149 1,150 1,151 1,155 4,156 1,159 1,163 4,164 6,165 1,167 2,172 4,173 1,175 2,176 3,179 4,181 2,187 1,188 4,189 1,191 1,196 3,197 2,202 5,203 4,206 3,208 3,209 1,215 3,216 4,217 1,219 1,220 1,224 2,225 1,227 4,228 4,229 2,231 1,233 2,239 7,240 5,241 1,243 2,247 1,248 1,251 2,252 3,253 1,255 2,257 2,264 1427,265 19.361,266 19.361,267 19.361,268 19.361,269 19.361,270 17.404,271 21.351,272 11.286,273 20.239,274 15.795,275 15.795,276 15.795,277 15.795,278 15.795,279 12.734,280 22.469,281 5.366,282 17.26,283 3.334,284 1.199,285 0.39,286 0.25,287 0.25,288 0.25,289 4.096,293 1,294 756,295 3.808,296 58.664,297 176.09,298 86.829,300 119.26,303 2.245,304 45.64,307 0.75,308 0.67,309 0.83,310 0.7,312 0.67,313 0.5,314 0.59,315 66,316 349,317 4.609,318 4.621,319 7.225,320 4.383,321 3.44,322 3.934,323 3.454,324 12.761,325 3.24,326 4.11,327 4.431,328 6.379,329 3.774,330 2.803,331 3.706,332 3.264,333 9.602,334 2.727,335 4.062,336 3.808,337 5.554,338 3.572,339 2.683,340 3.511,341 2,342 7.575,343 2.506,344 3.96,345 3.628,346 5.503,347 3.508,348 2.605,349 3.301,350 1.935,351 7.423,352 2.209,353 3.503,354 3.556,355 5.177,356 3.106,357 2.117,358 2.706,359 1.437,360 5.991,361 2.08,362 3.299,363 3.103,364 4.994,365 2.982,366 2.044,367 2.404,368 0.812,369 5.527,370 1.903,371 3.118,372 2.747,373 4.831,374 2.669,375 1.822,376 2.258,377 0.435,378 4.989,379 1.507,380 2.857,381 2.558,382 4.632,383 2.494,384 1.568,385 1.83,386 0.254,387 4.617,388 1.409,389 2.594,390 2.481,391 4.603,392 2.32,393 1.373,394 1.618,395 0.036,396 4.095,397 1.287,398 2.463,399 2.278,400 3.597,401 2.091,402 1.117,403 1.415,405 2.504,406 1.08,407 2.22,408 1.866,409 3.369,410 1.704,411 0.81,412 1.097,414 1.909,415 0.702,416 2.118,417 1.353,418 3.3,419 1.655,420 0.727,421 0.927,423 1.79,424 0.651,425 2.05,426 1.335,427 3.22,428 1.567,429 0.618,430 0.877,432 1.384,433 0.585,434 1.773,435 0.883,436 3,437 1.384,438 0.551,439 0.654,441 1.372,442 0.445,443 0.972,444 0.658,445 2.801,446 0.701,447 -0.193,448 -0.206,450 -0.533,451 -0.166,452 14.033,453 0.484,454 0.822,455 0.028,456 34,457 1.172,458 14.5,459 0.5,460 19.5,461 0.672,462 28.425,463 0.98,464 31.567,465 0.734,466 24.565,467 0.847,468 6.26,469 0.216,470 7.675,471 0.265,472 0.131,474 0.378,476 0.722,477 1.057,478 0.685,479 0.791,480 0.596,481 0.79,482 0.592,483 1.198,484 1.016,485 1.13,486 0.48,487 0.938,488 0.928,489 0.913,490 1.11,491 1.018,492 1.017,493 1.101,494 1.142,495 0.975,496 1.115,497 1.109,498 1.114,499 1.048,500 1.314,501 0.973,502 1.07,503 1.112,504 1.501,505 1.105,506 1.094,507 0.95,508 1.183,509 1.095,510 1.214,511 1.022,512 0.992,513 1.059,514 0.79,515 0.94,516 1.036,517 0.872,518 0.787,519 1.064,520 0.962,521 1.082,522 0.822,523 0.992,524 6,525 0.149,526 2.889,527 3.167,528 1.884,529 1.229,530 0.67,531 0.638,532 0.415,533 0.228,534 11314,535 45542,536 2.07,537 32.6,539 7,540 1,541 1,542 2,543 3,547 1.72,548 1.912,549 3.524,550 0.501,555 89.969,556 2.092,557 4.227,558 5.037,559 5.176,560 5.176,561 5.176,562 3.125,563 4.513,564 4.822,565 3.731,566 1514.73,567 8.404,568 20741.3,573 233.329,574 1.487,575 4.777,576 0.188,577 0.008,578 0.066,579 0.077,580 0.044,581 0.03,582 0.019,583 0.017,584 0.012,585 0.01,586 0.469,587 0.33,588 0.88,589 0.772,590 148.245,591 -0.042,592 0.092,593 0.026,594 0.101,595 -0.02,596 0.036,597 0.138,598 -0.073,599 0.043,600 -0.016,601 0.141,602 0.026,603 -0.064,604 0.121,605 -0.174,606 -0.012,607 -0.131,608 -0.141,609 -0.176,610 -0.006,611 -0.054,612 -0.046,613 -0.103,614 -0.017,615 0.007,616 -0.044,617 -0.066,618 -0.084,619 0.045,620 -0.166,621 -0.091,622 0.007,623 -0.042,624 0.012,625 -0.161,626 0.038,627 -0.002,628 -0.092,629 0.148,630 0.003,631 -0.041,632 0.092,633 0.295,634 -0.09,635 0.008,636 -0.112,637 0.313,638 -0.049,639 2.828,640 5.598,641 0.621,642 33.042,643 1.047,644 1.136,645 1.068,646 1.141,647 0.723,648 3.497,649 3.85,650 4.143,651 4.431,652 4.564,653 4.673,654 4.852,655 4.934,656 5.024,657 5.106,658 7.077,659 0.702,660 454.57,661 3.497,662 5.056,663 5.922,664 6.825,665 7.716,666 8.627,667 9.532,668 10.45,669 11.364,670 12.288,671 18.6,678 2,679 1,681 5,687 1,688 5,691 1,692 2,693 1,694 10,707 43,708 1,709 14,711 32,712 46,713 14,714 3,717 3,718 4,719 5,723 1,726 1,728 1,730 8,731 6,734 4,738 3,741 5,744 1,747 14,748 11,749 2,750 15,751 3,753 8,758 0.75,759 4,770 1,771 2,772 1,774 1,779 1,780 1,781 1,783 1,784 1,789 1,791 3,792 2,793 3,794 1,797 29,801 1,802 3,803 1,805 2,806 2,807 1,815 9.3,817 1,818 3,822 15.167,823 8.1,824 6.278,825 2.273,827 1.685,828 1.221,829 0.94,830 6.083,831 9.305,832 3.738,833 4.284,834 4.747,835 5.221,836 5.321,837 5.433,838 5.778,839 5.984,840 6.242,841 6.477,842 1,843 41,844 10.79,846 4.824,847 8.149,848 19.709,850 16.356,853 2.649,854 76.833,858 141.253,859 134.257,860 105.982,862 118.118,864 95.717,865 38.54,866 259.371,867 105.982,868 8.825,869 25.04,871 235.583,872 4.962,873 11.771,874 213.428,876 141.253,877 144.522,878 118.118,879 95.717,880 141.253,881 118.118,884 45.19,885 13.505,886 85.827,887 95.717,888 141.253,889 224.1,890 134.257,893 141.253,894 116.813,895 22.345,896 18.011,897 201.188,898 141.253,899 224.1,900 134.257,901 0.588,902 0.343,903 0.193,904 0.096,905 23,906 11,907 0.152,908 7,909 1,910 1.111,911 4.106,912 254.467,913 0.111,914 18,915 140.881,916 3,918 20.567,919 8.577,920 4.271,922 222.323,923 1.29,924 18.436,927 1.43,928 1.575,929 1.233,930 60.694,931 499.61,932 41,936 36.57,939 -1.406,941 45.004,942 48.83,943 0.386,944 0.779,945 0.928,946 0.954,947 0.954,948 0.954,949 5.007,950 1.568,951 5.927,952 4.989,953 4.533,954 4.97,955 4.175,956 6.781,957 4.376,958 6.206,959 1.373,960 7.51,961 4.617,962 4.205,963 4.783,964 2.221,965 7.779,966 4.025,967 7.521,968 1.117,969 9.197,970 4.095,971 6.176,972 7.043,973 6.331,974 10.974,975 5.891,976 8.867,977 0.81,978 10.946,979 2.504,980 6.698,981 7.681,982 3.849,983 12.896,984 6.392,985 10.247,986 0.727,987 12.741,988 1.909,989 8.149,990 9.392,991 8.694,992 15.635,993 7.758,994 11.65,995 0.618,996 14.57,997 1.79,998 9.054,999 10.394,1000 5.376,1001 17.936,1002 8.632,1003 13.07,1004 0.551,1005 16.426,1006 1.384,1007 10.327,1008 11.888,1009 11.108,1010 20.537,1011 9.835,1012 3.44,1013 -0.193,1014 18.304,1015 1.372,1016 11.407,1017 13.062,1018 6.968,1019 22.985,1020 10.871,1021 2.803,1022 12.761,1023 20.2,1024 -0.533,1025 12.627,1026 14.464,1027 13.539,1028 25.544,1029 12.029,1030 2.683,1031 9.602,1032 22.11,1033 3.934,1034 13.784,1035 15.72,1036 8.805,1037 28.05,1038 13.135,1039 2.605,1040 7.575,1041 24.033,1042 3.706,1043 14.995,1044 17.083,1045 15.976,1046 30.597,1047 14.286,1048 2.117,1049 7.423,1050 25.965,1051 3.511,1052 16.189,1053 18.381,1054 10.996,1055 33.126,1056 15.423,1057 2.044,1058 5.991,1059 27.904,1060 3.301,1061 17.404,1062 19.73,1063 18.418,1064 35.671,1065 16.578,1066 1.822,1067 5.527,1068 29.85,1069 2.706,1070 18.615,1071 21.049,1072 13.436,1073 38.209,1074 17.731,1075 10766,1076 21768,1077 21.096,1078 31.091,1079 49.597,1080 54.847,1081 50.263,1082 48.518,1083 48.556,1084 60.474,1085 27.253,1086 143.08,1087 44.667,1088 5.609,1089 6.401,1090 6.84,1091 5.578,1092 5.44,1093 6.594,1094 6.907,1095 20.761,1096 5.147,1097 15.548,1098 1.55,1099 1.714,1100 1.571,1101 1.516,1102 1.517,1103 1.89,1104 0.852,1105 4.471,1106 1.396,1107 3.996,1108 4.031,1109 4.304,1110 3.901,1111 7.475,1112 3.872,1113 3.849,1114 3.929,1115 4.097,1116 3.767,1117 7.432,1118 3.672,1119 3.777,1120 3.804,1121 3.826,1122 3.547,1123 7.423,1124 3.596,1125 3.569,1126 3.603,1127 3.614,1128 3.403,1129 6.351,1130 3.413,1131 3.313,1132 3.35,1133 3.429,1134 3.063,1135 5.234,1136 3.082,1137 3.225,1138 3.22,1139 3.371,1140 3.005,1141 4.997,1142 3.001,1143 3.044,1144 3.116,1145 3.224,1146 2.954,1147 4.386,1148 2.875,1149 2.851,1150 2.926,1151 2.8,1152 2.686,1153 4.023,1154 2.631,1155 0.144,1156 0.144,1157 0.226,1158 0.137,1159 0.108,1160 4.609,1161 0.123,1162 4.621,1163 0.108,1164 7.225,1165 0.399,1166 4.383,1167 0.101,1168 3.44,1169 3.934,1170 3.454,1171 12.761,1172 3.24,1173 1.887,1174 1.865,1175 1.93,1176 2.049,1177 1.312,1178 2.033,1179 1.608,1180 1.566,1181 1.743,1182 1.858,1183 1.008,1184 1.827,1185 1.485,1186 1.456,1187 1.668,1188 1.661,1189 0.875,1190 1.665,1191 1.443,1192 1.397,1193 1.608,1194 1.626,1195 0.795,1196 1.652,1197 1.175,1198 1.159,1199 1.233,1200 1.412,1201 0.563,1202 1.374,1203 1.052,1204 1.017,1205 1.194,1206 1.392,1207 0.218,1208 1.33,1209 1.022,1210 0.985,1211 1.158,1212 1.31,1213 0.175,1214 1.276,1215 0.836,1216 0.742,1217 0.912,1218 1.254,1219 0.09,1220 1.197,1221 4.174,1222 5.549,1223 3.045,1224 7.114,1225 5.209,1226 8.782,1227 7.096,1228 10.516,1229 1.845,1233 9.681,1234 0.718,1235 2.634,1237 2.813,1238 -1.234,1239 1.25,1243 30.172,1244 89.969,1245 181.766,1246 216.574,1247 222.574,1248 222.574,1249 222.574,1250 70.518,1251 7.62,1252 156.09,1253 234.93,1254 20,1255 12.797,1256 3.907,1257 3.322,1258 44.74,1259 121,1260 124,1261 0.18,1262 195.803,1263 337.09,1264 469.518,1265 20823,1267 20.543,1268 0.708,1269 0.598,1270 21.604,1271 17.33,1272 13.936,1273 0.435,1274 0.347,1275 8.324,1276 11.788,1277 7.907,1278 6.462,1279 15.252,1280 11.119,1281 13.012,1282 0.283,1283 0.209,1284 14.941,1285 9.604,1286 10.59,1287 0.171,1288 0.122,1289 12.738,1290 7.539,1291 9.178,1292 0.111,1293 0.074,1294 11.624,1295 6.125,1296 6.745,1297 0.071,1298 0.048,1299 9.187,1300 4.553,1301 0.284,1302 102.971,1303 0.218,1304 27.79,1305 0.492,1306 156,1307 603.786,1308 258.169,1309 629.974,1310 832.3,1311 584,1312 186,1313 558.513,1314 270.615,1315 591.192,1316 864.65,1317 550,1318 6.26}
{0 CHEMBL1440,1 1.626,2 8.625,3 -1.111,4 1.233,5 113.327,6 7.937,7 0.171,8 4.154,9 4.245,10 3.726,11 3.636,12 5.423,13 3.652,14 4.695,15 4.826,16 4.231,17 4.124,18 5.93,19 4.135,20 5.106,21 5.217,22 4.559,23 4.426,24 6.495,25 4.44,26 5.401,27 5.555,28 4.687,29 4.54,30 6.915,31 4.541,32 5.474,33 5.643,34 4.601,35 4.516,36 6.973,37 4.498,38 5.415,39 5.606,40 4.439,41 4.391,42 6.877,43 4.361,44 5.3,45 5.513,46 4.186,47 4.207,48 6.701,49 4.165,50 5.058,51 5.294,52 3.887,53 3.966,54 6.458,55 3.884,56 0.289,57 0.779,58 10.997,59 5.341,60 56.177,61 6.024,62 0.445,63 1.309,64 20.157,65 9.291,66 86.996,67 11.208,68 0.937,69 1.818,70 31.11,71 13.73,72 184.722,73 15.948,74 1.791,75 2.216,76 47.575,77 17.031,78 358.401,79 21.188,80 2.265,81 2.263,82 54.282,83 17.404,84 419.294,85 21.691,86 2.121,87 2.083,88 53.268,89 15.844,90 380.616,91 20.5,92 1.992,93 1.796,94 49.982,95 13.34,96 345.245,97 17.528,98 1.457,99 1.401,100 39.986,101 11.44,102 267.107,103 15.888,104 149,105 58,106 0.268,107 0.687,108 0.84,109 0.874,110 0.88,111 0.88,112 3.504,113 0.855,114 -0.35,115 -0.49,116 -0.65,117 39.3,118 1,119 1,120 2,122 2,125 1,127 2,129 2,131 2,133 3,134 2,135 1,145 1,146 1,147 1,152 1,153 1,154 1,160 7,164 5,166 1,167 1,169 9,172 10,174 1,175 1,176 5,180 2,181 12,184 12,187 1,188 5,190 1,191 6,192 2,193 10,195 1,196 10,202 1,203 6,205 1,206 7,207 3,208 8,210 1,211 7,214 1,216 6,219 4,220 3,221 8,223 1,224 3,226 2,227 1,228 5,231 1,232 2,233 8,236 3,238 1,239 2,240 4,242 1,243 1,244 1,245 5,247 2,249 1,252 4,255 2,256 1,257 3,259 1,260 1,262 2,264 1244,265 20.056,266 20.056,267 20.056,268 20.056,269 20.056,270 18.427,271 26.725,272 10.668,273 20.234,274 17.068,275 17.068,276 17.068,277 17.068,278 17.068,279 14.453,280 33.087,281 4.852,282 17.411,283 4.181,284 1.642,285 0.71,286 0.505,287 0.469,288 0.469,289 4.179,293 1,294 582,295 4.243,298 221.13,302 269.926,303 1.234,304 87.441,307 0.75,308 0.67,309 0.83,310 0.8,311 1,312 0.67,313 0.5,314 0.75,315 73,316 276,317 4.978,318 4.285,319 8.203,320 4.797,321 3.823,322 4.385,323 1.707,324 15.938,325 3.722,326 4.744,327 3.993,328 7.815,329 4.561,330 3.585,331 4.171,332 1.408,333 14.411,334 3.497,335 4.254,336 3.737,337 6.804,338 3.967,339 2.975,340 3.664,341 0.98,342 10.862,343 2.947,344 4.076,345 3.454,346 6.597,347 3.819,348 2.829,349 3.284,350 0.765,351 10.122,352 2.795,353 3.838,354 3.39,355 6.441,356 3.631,357 2.662,358 2.995,359 0.744,360 9.446,361 2.572,362 3.789,363 2.873,364 6.376,365 3.502,366 2.505,367 2.927,368 0.497,369 9.227,370 2.489,371 3.147,372 2.722,373 5.366,374 2.807,375 1.83,376 2.299,378 5.585,379 1.785,380 3.057,381 2.463,382 4.951,383 2.653,384 1.675,385 2.121,387 4.78,388 1.649,389 2.997,390 2.116,391 4.945,392 2.641,393 1.618,394 2.089,396 4.234,397 1.609,398 2.771,399 2.028,400 4.534,401 2.499,402 1.537,403 1.755,405 4,406 1.466,407 2.696,408 1.642,409 4.353,410 2.305,411 1.337,412 1.686,414 3.479,415 1.283,416 2.334,417 1.334,418 4.011,419 1.914,420 0.901,421 1.183,423 2.385,424 0.902,425 1.752,426 1.263,427 3.695,428 1.443,429 0.498,430 0.562,432 1.402,433 0.459,434 1.286,435 0.804,436 3.426,437 1.133,438 0.167,439 0.177,441 0.47,442 0.159,443 1.109,444 0.708,445 3.364,446 0.849,447 -0.1,448 -0.11,450 -0.272,451 -0.094,452 14.467,453 0.452,454 1.485,455 0.046,456 34.5,457 1.078,458 14,459 0.438,460 20.5,461 0.641,462 38.181,463 1.193,464 36.533,465 0.652,466 37.443,467 1.17,468 6.8,469 0.213,470 7.972,471 0.249,472 0.316,473 0.069,474 0.477,476 0.913,477 1.082,478 0.809,479 0.945,480 0.876,481 0.856,482 0.657,483 0.967,484 0.609,485 0.93,486 0.589,487 0.772,488 0.895,489 1.24,490 0.85,491 1.227,492 0.917,493 1.066,494 0.884,495 1.149,496 0.89,497 1.15,498 0.878,499 1.051,500 1.087,501 1.028,502 1.102,503 1.07,504 1.156,505 1.093,506 1.126,507 1.044,508 1.119,509 1.038,510 1.092,511 1.07,512 1.298,513 0.844,514 1.209,515 0.857,516 1.265,517 0.97,518 0.953,519 0.908,520 1.006,521 0.921,522 0.921,523 0.975,524 9,525 0.074,526 6.667,527 5.938,528 5.173,529 2.91,530 1.401,531 0.891,532 0.485,533 0.307,534 9947,535 33967,536 1.923,537 42.9,538 2,539 10,542 7,544 4,545 1,547 1.757,548 1.67,549 3.046,550 4.093,555 91.065,556 1.626,557 4.166,558 5.097,559 5.303,560 5.338,561 5.338,562 2.491,563 3.976,564 4.976,565 3.19,566 1582.17,567 8.771,568 20611.2,573 325.212,574 1.677,575 4.835,576 0.257,577 0.006,578 0.115,579 0.078,580 0.064,581 0.041,582 0.024,583 0.02,584 0.015,585 0.013,586 0.632,587 0.33,588 0.75,589 0.937,590 159.121,591 -0.175,592 0.157,593 -0.045,594 0.206,595 -0.168,596 0.14,597 -0.009,598 0.231,599 0.188,600 0.195,601 0.039,602 0.253,603 -0.018,604 -0.121,605 -0.008,606 -0.118,607 -0.04,608 -0.07,609 0.105,610 -0.13,611 0.05,612 -0.126,613 0.103,614 -0.07,615 0.01,616 -0.05,617 -0.112,618 -0.094,619 -0.025,620 -0.137,621 -0.04,622 -0.097,623 -0.101,624 -0.089,625 -0.025,626 -0.111,627 -0.168,628 0.079,629 -0.151,630 0.047,631 -0.155,632 -0.024,633 0.021,634 -0.029,635 0.046,636 0.017,637 0.046,638 0.033,639 3.924,640 6.322,641 0.563,642 23.25,643 1.028,644 1.129,645 -0.875,646 0.766,647 0.643,648 3.584,649 4.078,650 4.489,651 4.86,652 5.193,653 5.421,654 5.624,655 5.793,656 5.981,657 6.068,658 5.288,659 0.635,660 444.48,661 3.584,662 5.231,663 6.172,664 7.151,665 8.115,666 9.097,667 10.071,668 11.054,669 12.032,670 13.016,671 3.6,674 1,678 1,687 3,692 3,694 6,696 1,704 1,707 56,709 11,710 1,711 35,712 59,713 22,714 6,715 3,716 3,717 7,718 4,719 10,723 1,726 2,727 4,728 2,730 13,731 9,732 4,734 5,738 3,741 7,744 1,747 24,748 10,749 7,750 10,753 2,758 0.25,759 8,762 2,772 4,776 3,777 1,778 1,783 2,784 2,788 1,789 4,791 1,794 3,797 32,798 1,801 5,802 1,806 3,807 1,808 2,815 14.3,816 2,817 3,818 3,822 19.167,823 10.533,824 6.667,825 3.029,827 2.174,828 1.259,829 0.845,830 4.935,831 10.56,832 3.784,833 4.425,834 5.029,835 5.581,836 6.045,837 6.377,838 6.74,839 7.107,840 7.46,841 7.758,842 0.833,843 76,844 12.458,846 6.442,847 8.427,848 21.574,850 19.218,853 2.927,854 93.667,858 200.109,859 84.295,860 36.022,862 288.851,865 84.295,866 488.96,867 36.022,868 25.618,869 35.432,870 113.795,871 218.456,872 15.867,874 200.109,876 200.109,877 120.317,878 288.851,880 141.253,881 262.34,882 85.367,884 47.381,885 72.935,888 200.109,889 324.873,890 84.295,893 200.109,894 30.248,895 57.171,897 321.749,898 200.109,899 324.873,900 84.295,901 0.627,902 0.403,903 0.228,904 0.127,905 32,906 18,907 0.034,908 2,909 3,910 1.333,911 3.595,912 346.653,913 0.333,914 18,915 156,918 22.641,919 6.974,920 2.731,922 324.873,923 4.179,928 -0.536,930 246.314,931 609.277,932 43,936 38.283,939 -6.394,941 57.542,942 63.239,943 0.28,944 0.717,945 0.878,946 0.913,947 0.919,948 0.919,949 5.162,950 1.675,951 6.293,952 5.585,953 4.762,954 5.112,955 2.671,956 7.351,957 4.724,958 6.452,959 1.618,960 8.031,961 4.78,962 4.89,963 5.286,964 1.327,965 8.903,966 4.811,967 7.854,968 1.537,969 9.88,970 4.234,971 6.661,972 7.335,973 3.143,974 12.102,975 6.583,976 9.288,977 1.337,978 11.793,979 4,980 7.534,981 8.237,982 2.535,983 14.415,984 7.412,985 10.755,986 0.901,987 13.746,988 3.479,989 8.937,990 9.891,991 3.853,992 17.261,993 8.806,994 12.244,995 0.498,996 15.728,997 2.385,998 10.083,999 11.094,1000 3.685,1001 19.846,1002 9.914,1003 13.751,1004 0.167,1005 17.731,1006 1.402,1007 11.398,1008 12.617,1009 4.7,1010 22.607,1011 11.209,1012 3.823,1013 -0.1,1014 19.749,1015 0.47,1016 12.645,1017 13.952,1018 4.793,1019 25.291,1020 12.423,1021 3.585,1022 15.938,1023 21.78,1024 -0.272,1025 13.946,1026 15.429,1027 5.629,1028 28.035,1029 13.7,1030 2.975,1031 14.411,1032 23.821,1033 4.385,1034 15.232,1035 16.826,1036 5.88,1037 30.758,1038 14.956,1039 2.829,1040 10.862,1041 25.871,1042 4.171,1043 16.538,1044 18.287,1045 6.607,1046 33.501,1047 16.235,1048 2.662,1049 10.122,1050 27.928,1051 3.664,1052 17.842,1053 19.714,1054 6.957,1055 36.24,1056 17.51,1057 2.505,1058 9.446,1059 29.991,1060 3.284,1061 19.154,1062 21.171,1063 7.616,1064 38.987,1065 18.795,1066 1.83,1067 9.227,1068 32.058,1069 2.995,1070 20.468,1071 22.614,1072 8.029,1073 41.734,1074 20.08,1075 9941,1076 18422,1077 20.926,1078 36.023,1079 57.04,1080 59.481,1081 62.333,1082 55.985,1083 55.883,1084 66.595,1085 12.202,1086 192.685,1087 54.67,1088 5.94,1089 6.285,1090 7.727,1091 5.797,1092 5.823,1093 7.385,1094 3.102,1095 24.853,1096 5.722,1097 24.129,1098 1.63,1099 1.699,1100 1.781,1101 1.6,1102 1.597,1103 1.903,1104 0.349,1105 5.505,1106 1.562,1107 4.116,1108 4.128,1109 4.078,1110 4.036,1111 7.449,1112 4.044,1113 3.918,1114 3.932,1115 3.881,1116 3.822,1117 7.427,1118 3.833,1119 3.631,1120 3.661,1121 3.572,1122 3.508,1123 7.415,1124 3.519,1125 3.537,1126 3.602,1127 3.429,1128 3.31,1129 6.529,1130 3.329,1131 3.406,1132 3.44,1133 3.312,1134 3.217,1135 6.47,1136 3.233,1137 3.262,1138 3.303,1139 3.166,1140 3.068,1141 6.451,1142 3.077,1143 3.083,1144 3.149,1145 2.982,1146 2.84,1147 6.444,1148 2.861,1149 3.065,1150 3.073,1151 2.925,1152 2.784,1153 6.388,1154 2.815,1155 0.142,1156 0.122,1157 0.234,1158 0.137,1159 0.109,1160 4.978,1161 0.125,1162 4.285,1163 0.049,1164 8.203,1165 0.455,1166 4.797,1167 0.106,1168 3.823,1169 4.385,1170 1.707,1171 15.938,1172 3.722,1173 2.051,1174 2.04,1175 2.133,1176 2.15,1177 1.512,1178 2.142,1179 1.876,1180 1.862,1181 1.97,1182 1.999,1183 1.211,1184 1.988,1185 1.588,1186 1.562,1187 1.776,1188 1.762,1189 0.932,1190 1.768,1191 1.469,1192 1.402,1193 1.688,1194 1.724,1195 0.8,1196 1.707,1197 1.341,1198 1.305,1199 1.564,1200 1.582,1201 0.659,1202 1.577,1203 1.207,1204 1.161,1205 1.417,1206 1.434,1207 0.564,1208 1.419,1209 0.995,1210 0.947,1211 1.394,1212 1.326,1213 0.469,1214 1.322,1215 0.944,1216 0.907,1217 1.279,1218 1.239,1219 0.275,1220 1.308,1221 4.263,1222 5.714,1224 7.382,1226 9.161,1228 11.002,1229 4.426,1232 5.277,1233 55.161,1234 -0.2,1238 -3.494,1239 1.408,1240 -4.442,1243 35.556,1244 91.065,1245 233.28,1246 285.437,1247 296.947,1248 298.947,1249 298.947,1250 139.569,1251 8.386,1252 181.62,1253 181.62,1254 24,1255 13.485,1256 3.585,1257 3.17,1258 51.219,1259 108,1260 84,1261 0.26,1262 214.368,1263 400.02,1264 514.817,1265 45481,1267 23.911,1268 0.747,1269 0.552,1270 23.911,1271 17.657,1272 14.773,1273 0.422,1274 0.285,1275 9.804,1276 14.119,1277 9.514,1278 7.783,1279 14.773,1280 9.97,1281 15.244,1282 0.263,1283 0.154,1284 15.244,1285 8.96,1286 13.529,1287 0.154,1288 0.08,1289 13.529,1290 7.026,1291 12.206,1292 0.095,1293 0.043,1294 12.206,1295 5.503,1296 9.796,1297 0.055,1298 0.023,1299 9.796,1300 4.178,1301 0.38,1302 94.132,1303 0.219,1304 28.084,1305 0.811,1306 186,1307 600.912,1308 207.045,1309 570.578,1310 747.01,1311 520,1312 239,1313 528.666,1314 262.208,1315 534.419,1316 804.27,1317 500,1318 3.247}
{0 CHEMBL161,1 2.079,2 13.75,3 -0.163,4 0.026,5 131.188,6 10.271,7 0.128,8 4.155,9 4.244,10 4.046,11 3.678,12 5.47,13 3.67,14 4.64,15 4.764,16 4.448,17 4.032,18 6.034,19 4.01,20 4.787,21 4.905,22 4.533,23 4.161,24 6.263,25 4.128,26 4.923,27 5.056,28 4.613,29 4.228,30 6.306,31 4.175,32 4.938,33 5.05,34 4.622,35 4.126,36 6.522,37 4.131,38 4.939,39 5.119,40 4.4,41 4.098,42 6.292,43 4.055,44 4.86,45 5.003,46 4.463,47 4.105,48 6.249,49 4.068,50 4.879,51 5.037,52 4.509,53 4.092,54 6.381,55 4.049,56 0.402,57 0.935,58 5.925,59 4.855,60 43.456,61 4.041,62 0.833,63 1.444,64 24.287,65 8.436,66 89.91,67 7.654,68 1.022,69 1.592,70 18.986,71 9.43,72 127.116,73 8.262,74 1.178,75 1.691,76 37.234,77 12.878,78 143.216,79 10.513,80 1.469,81 1.552,82 25.847,83 11.128,84 238.223,85 8.432,86 1.446,87 1.585,88 34.397,89 11.081,90 192.882,91 10.495,92 1.26,93 1.549,94 28.919,95 10.578,96 145.7,97 9.481,98 1.252,99 1.534,100 36.936,101 11.835,102 169.395,103 10.48,104 87,105 57,106 0.342,107 0.744,108 0.881,109 0.9,110 0.9,111 0.9,112 3.616,113 0.99,114 -2.23,115 -2.27,116 -2.24,117 33.3,122 2,123 2,125 1,126 1,129 1,131 1,137 1,142 1,146 1,147 5,148 1,151 1,152 1,153 1,154 1,155 1,156 1,158 1,159 1,163 3,164 5,165 1,166 1,167 4,169 1,172 2,173 1,174 1,175 6,176 1,179 6,181 3,187 4,188 7,189 1,191 2,196 1,197 2,202 3,203 6,205 1,206 2,208 5,209 1,215 4,216 5,217 2,218 2,219 3,220 2,223 1,227 6,228 4,229 1,231 3,233 2,234 1,239 4,240 4,241 2,243 2,244 1,247 1,251 3,252 4,253 3,254 2,255 7,257 1,262 1,264 2472,265 23.646,266 23.646,267 23.646,268 23.646,269 23.646,270 21.722,271 28.295,272 13.546,273 24.578,274 19.128,275 19.128,276 19.128,277 19.128,278 19.128,279 15.77,280 25.761,281 6.268,282 20.64,283 3.676,284 1.234,285 0.398,286 0.287,287 0.287,288 0.287,289 4.299,294 1048,295 4.472,296 76.694,297 114.74,298 245.174,300 155.269,303 2.444,304 69.657,307 0.5,308 0.67,309 0.67,310 0.6,311 0.5,312 0.5,313 0.5,314 0.56,315 83,316 495,317 4.612,318 4.629,319 7.226,320 4.385,321 3.442,322 3.956,323 3.843,324 12.763,325 3.243,326 4.372,327 4.538,328 6.479,329 3.975,330 3.011,331 3.923,332 3.43,333 10.051,334 2.908,335 4.258,336 4.017,337 6.357,338 3.915,339 2.966,340 3.603,341 2.373,342 9.537,343 2.843,344 4.065,345 3.824,346 6.196,347 3.737,348 2.758,349 3.332,350 1.984,351 9.14,352 2.692,353 3.801,354 3.797,355 5.642,356 3.312,357 2.397,358 3.184,359 1.437,360 7.161,361 2.195,362 3.663,363 3.613,364 5.346,365 3.287,366 2.355,367 2.848,368 1.313,369 6.737,370 2.133,371 3.27,372 3.471,373 5.134,374 2.967,375 2.015,376 2.341,377 1.061,378 5.771,379 1.898,380 3.126,381 3.178,382 4.958,383 2.707,384 1.775,385 2.238,386 0.98,387 5.133,388 1.625,389 2.984,390 2.888,391 4.79,392 2.607,393 1.674,394 1.98,395 0.942,396 4.671,397 1.546,398 2.857,399 2.781,400 4.591,401 2.497,402 1.567,403 1.832,404 0.661,405 4.503,406 1.409,407 2.726,408 2.74,409 4.491,410 2.327,411 1.399,412 1.709,413 0.269,414 4.078,415 1.285,416 2.477,417 2.433,418 3.857,419 2.223,420 1.266,421 1.416,422 0.088,423 2.847,424 1.195,425 2.24,426 2.117,427 3.547,428 1.831,429 0.928,430 1.066,432 2.241,433 0.8,434 2.198,435 1.96,436 3.514,437 1.689,438 0.78,439 1.058,441 1.822,442 0.683,443 2.049,444 1.84,445 3.27,446 1.542,447 0.703,448 0.878,450 1.706,451 0.573,452 17.033,453 0.473,454 1.142,455 0.032,456 41.5,457 1.153,458 16.5,459 0.458,460 25,461 0.694,462 37.738,463 1.048,464 39.967,465 0.74,466 37.583,467 1.044,468 7.919,469 0.22,470 9.197,471 0.255,472 0.2,474 0.429,476 0.809,477 1.243,478 0.699,479 0.831,480 0.656,481 0.79,482 0.708,483 1.27,484 1.067,485 1.151,486 0.525,487 0.855,488 0.768,489 1.006,490 0.966,491 0.977,492 0.812,493 0.997,494 0.96,495 1.084,496 1.206,497 1.25,498 0.969,499 1.078,500 1.241,501 1.194,502 0.894,503 1.144,504 1.294,505 1.127,506 1.079,507 0.822,508 0.985,509 0.855,510 1.112,511 0.93,512 0.973,513 1.052,514 1.064,515 1.055,516 0.961,517 1.038,518 0.879,519 1.087,520 1.033,521 1.118,522 0.893,523 1.001,524 8,525 0.261,526 5.111,527 3.972,528 2.734,529 1.761,530 0.989,531 0.887,532 0.729,533 0.497,534 19120,535 80733,536 1.991,537 33.3,539 11,540 2,542 5,547 1.775,548 1.8,549 3.701,550 2.493,555 112.24,556 2.079,557 4.521,558 5.357,559 5.468,560 5.468,561 5.468,562 3.229,563 4.892,564 5.139,565 3.916,566 2467.2,567 9.039,568 39646.2,573 310.764,574 1.555,575 5.063,576 0.205,577 0.008,578 0.093,579 0.067,580 0.046,581 0.031,582 0.02,583 0.017,584 0.014,585 0.012,586 0.513,587 0.17,588 0.75,589 1.019,590 197.072,591 -0.129,592 -0.059,593 0.015,594 0.098,595 -0.082,596 0.06,597 0.059,598 -0.121,599 -0.018,600 -0.036,601 0.115,602 0.102,603 0.06,604 0.109,605 -0.084,606 0.008,607 0.026,608 -0.096,609 -0.059,610 -0.022,611 -0.087,612 -0.105,613 -0.074,614 -0.071,615 -0.109,616 -0.237,617 0.024,618 -0.173,619 -0.077,620 -0.197,621 -0.109,622 0.118,623 -0.016,624 0.08,625 -0.138,626 0.08,627 -0.024,628 -0.043,629 -0.075,630 -0.044,631 -0.072,632 -0.061,633 0.058,634 -0.089,635 0.05,636 -0.057,637 0.076,638 0.021,639 2.975,640 5.915,641 0.528,642 43.63,643 1.051,644 1.135,645 0.998,646 0.996,647 0.703,648 3.689,649 4.06,650 4.369,651 4.635,652 4.836,653 4.927,654 5.056,655 5.147,656 5.283,657 5.416,658 8.089,659 0.692,660 554.65,661 3.689,662 5.263,663 6.138,664 7.047,665 7.946,666 8.859,667 9.769,668 10.686,669 11.602,670 12.524,671 14.8,674 1,675 1,678 3,680 2,681 1,687 1,688 1,691 1,692 2,694 5,695 1,700 1,707 54,708 1,709 13,711 39,712 57,713 18,714 3,717 8,718 4,719 5,726 1,728 1,730 12,731 6,734 8,738 5,740 2,741 9,747 18,748 15,749 5,750 18,751 3,753 8,757 1,758 0.75,759 7,770 1,771 1,772 2,774 1,779 1,780 1,781 1,783 1,784 1,789 1,791 3,792 2,793 3,794 2,797 36,798 1,801 1,802 2,803 2,804 1,805 2,806 2,807 2,810 1,815 13,817 1,818 5,820 1,822 20,823 10.283,824 7.889,825 2.668,827 1.482,828 1.183,829 0.936,830 8.133,831 9.578,832 3.922,833 4.457,834 4.955,835 5.364,836 5.642,837 5.799,838 6.008,839 6.109,840 6.336,841 6.569,842 1,843 59,844 13.467,846 6.091,847 8.333,848 23.966,850 19.566,853 2.833,854 102,858 153.024,859 156.823,860 127.893,862 179.627,864 95.717,865 61.106,866 332.651,867 127.893,868 19.279,869 40.823,870 40.546,871 210.435,872 56.849,873 24.235,874 225.199,876 153.024,877 188.999,878 179.627,879 95.717,880 153.024,881 179.627,884 83.267,885 86.19,886 19.542,887 95.717,888 153.024,889 307.52,890 156.823,893 153.024,894 129.894,895 33.055,896 35.899,897 265.495,898 153.024,899 307.52,900 156.823,901 0.592,902 0.358,903 0.195,904 0.106,905 27,906 15,907 0.14,908 8,909 1,910 1.105,911 4.468,912 346.342,913 0.105,914 19,915 186.117,916 3,918 26.718,919 10.959,920 5.369,922 307.52,923 1.513,924 4,927 1.099,928 0.39,930 111.48,931 617.367,932 49.5,936 60.734,938 7.359,939 -4.26,941 56.753,942 61.288,943 0.361,944 0.786,945 0.931,946 0.95,947 0.95,948 0.95,949 5.216,950 1.775,951 6.163,952 5.771,953 4.745,954 5.145,955 4.446,956 7.043,957 4.613,958 6.431,959 1.674,960 7.774,961 5.133,962 4.511,963 5.075,964 2.457,965 8.087,966 4.383,967 7.762,968 1.567,969 9.484,970 4.671,971 6.422,972 7.23,973 6.669,974 11.256,975 6.19,976 9.123,977 1.399,978 11.251,979 4.503,980 6.995,981 7.953,982 5.123,983 13.153,984 6.761,985 10.517,986 1.266,987 13.057,988 4.078,989 8.419,990 9.61,991 9.16,992 15.868,993 8.1,994 11.932,995 0.928,996 14.89,997 2.847,998 9.341,999 10.671,1000 7.985,1001 18.126,1002 9.001,1003 13.363,1004 0.78,1005 16.743,1006 2.241,1007 10.599,1008 12.143,1009 11.724,1010 20.701,1011 10.189,1012 3.442,1013 0.703,1014 18.614,1015 1.822,1016 11.675,1017 13.358,1018 10.861,1019 23.115,1020 11.225,1021 3.011,1022 12.763,1023 20.498,1024 1.706,1025 12.881,1026 14.756,1027 14.316,1028 25.652,1029 12.368,1030 2.966,1031 10.051,1032 22.394,1033 3.956,1034 14.025,1035 16.043,1036 13.71,1037 28.135,1038 13.461,1039 2.758,1040 9.537,1041 24.3,1042 3.923,1043 15.22,1044 17.413,1045 16.924,1046 30.666,1047 14.594,1048 2.397,1049 9.14,1050 26.214,1051 3.603,1052 16.397,1053 18.735,1054 16.532,1055 33.18,1056 15.714,1057 2.355,1058 7.161,1059 28.135,1060 3.332,1061 17.596,1062 20.096,1063 19.543,1064 35.714,1065 16.85,1066 2.015,1067 6.737,1068 30.063,1069 3.184,1070 18.791,1071 21.436,1072 19.331,1073 38.243,1074 17.984,1075 18571,1076 38326,1077 24.797,1078 37.977,1079 61.23,1080 69.032,1081 63.273,1082 59.393,1083 59.509,1084 72.561,1085 36.76,1086 179.456,1087 55.344,1088 5.612,1089 6.553,1090 6.984,1091 5.552,1092 5.442,1093 6.637,1094 7.549,1095 20.763,1096 5.15,1097 24.537,1098 1.57,1099 1.77,1100 1.622,1101 1.523,1102 1.526,1103 1.861,1104 0.943,1105 4.601,1106 1.419,1107 3.998,1108 4.026,1109 4.221,1110 3.897,1111 7.501,1112 3.877,1113 3.859,1114 3.881,1115 4.125,1116 3.821,1117 7.475,1118 3.764,1119 3.8,1120 3.844,1121 3.937,1122 3.585,1123 7.433,1124 3.596,1125 3.585,1126 3.612,1127 3.621,1128 3.419,1129 7.423,1130 3.437,1131 3.423,1132 3.455,1133 3.531,1134 3.218,1135 7.354,1136 3.224,1137 3.253,1138 3.295,1139 3.389,1140 3.04,1141 6.351,1142 3.039,1143 3.21,1144 3.264,1145 3.348,1146 2.985,1147 5.165,1148 2.963,1149 3.204,1150 3.215,1151 3.059,1152 2.921,1153 4.902,1154 2.911,1155 0.118,1156 0.119,1157 0.185,1158 0.112,1159 0.088,1160 4.612,1161 0.101,1162 4.629,1163 0.099,1164 7.226,1165 0.327,1166 4.385,1167 0.083,1168 3.442,1169 3.956,1170 3.843,1171 12.763,1172 3.243,1173 1.888,1174 1.866,1175 1.927,1176 2.046,1177 1.311,1178 2.03,1179 1.646,1180 1.614,1181 1.734,1182 1.922,1183 0.999,1184 1.871,1185 1.596,1186 1.568,1187 1.685,1188 1.811,1189 0.762,1190 1.77,1191 1.46,1192 1.433,1193 1.606,1194 1.65,1195 0.693,1196 1.638,1197 1.305,1198 1.286,1199 1.511,1200 1.537,1201 0.568,1202 1.533,1203 1.181,1204 1.104,1205 1.417,1206 1.462,1207 0.546,1208 1.493,1209 1.162,1210 1.1,1211 1.334,1212 1.458,1213 0.331,1214 1.456,1215 1.061,1216 1.05,1217 1.195,1218 1.375,1219 0.303,1220 1.328,1221 4.369,1222 5.753,1223 2.398,1224 7.334,1225 4.595,1226 9.014,1227 6.555,1228 10.753,1229 2.738,1232 5.618,1233 9.828,1234 0.346,1235 4.88,1236 4.721,1237 2.311,1238 -1.646,1239 2.369,1243 37.37,1244 112.24,1245 244.135,1246 289.254,1247 295.254,1248 295.254,1249 295.254,1250 116.831,1251 8.096,1252 214.96,1253 293.8,1254 21,1255 13.033,1256 3.807,1257 3.524,1258 62.159,1259 175,1260 170,1261 0.174,1262 240.306,1263 438.28,1264 578.106,1265 37704,1267 26.146,1268 0.726,1269 0.584,1270 27.206,1271 21.031,1272 17.116,1273 0.439,1274 0.33,1275 9.946,1276 14.66,1277 9.475,1278 7.782,1279 18.479,1280 12.869,1281 16.007,1282 0.281,1283 0.18,1284 17.72,1285 10.237,1286 13.396,1287 0.172,1288 0.105,1289 15.456,1290 8.151,1291 11.111,1292 0.109,1293 0.062,1294 13.408,1295 6.315,1296 8.863,1297 0.071,1298 0.037,1299 11.249,1300 4.57,1301 0.275,1302 124.528,1303 0.201,1304 33.012,1305 0.471,1306 192,1307 779.348,1308 293.364,1309 787.5,1310 1030.92,1311 728,1312 231,1313 687.807,1314 323.007,1315 720.256,1316 1062.07,1317 669,1318 5.358}
{0 CHEMBL1644,1 1.824,2 10.24,3 0.145,4 0.021,5 90.823,6 8.653,7 0.222,8 3.868,9 3.965,10 3.57,11 3.399,12 5.124,13 3.389,14 4.355,15 4.483,16 3.964,17 3.791,18 5.679,19 3.748,20 4.622,21 4.769,22 4.094,23 3.939,24 5.954,25 3.887,26 4.757,27 4.941,28 4.047,29 3.9,30 6.053,31 3.855,32 4.717,33 4.896,34 3.997,35 3.724,36 6.278,37 3.702,38 4.519,39 4.735,40 3.658,41 3.564,42 5.866,43 3.491,44 4.311,45 4.496,46 3.58,47 3.478,48 5.703,49 3.418,50 4.239,51 4.425,52 3.544,53 3.435,54 5.712,55 3.365,56 0.196,57 0.633,58 7.551,59 3.903,60 31.5,61 4.138,62 0.417,63 1.009,64 17.177,65 6.85,66 59.257,67 7.742,68 0.638,69 1.222,70 21.009,71 8.479,72 87.687,73 9.659,74 0.728,75 1.279,76 30.141,77 9.477,78 111.979,79 10.58,80 1.12,81 1.112,82 28.28,83 8.157,84 208.057,85 9.089,86 0.817,87 0.943,88 25.195,89 7.183,90 134.319,91 8.707,92 0.627,93 0.802,94 19.104,95 6,96 98.132,97 6.702,98 0.562,99 0.754,100 17.764,101 5.924,102 105.507,103 6.83,104 51,105 40,106 0.322,107 0.718,108 0.847,109 0.88,110 0.88,111 0.88,112 3.267,113 0.954,114 -1.73,115 -1.8,116 -1.82,117 38.1,118 1,123 1,125 2,126 1,129 1,131 1,133 4,134 1,135 1,147 3,152 1,153 1,154 1,156 1,159 1,160 5,163 1,164 2,165 1,167 2,169 3,172 5,173 1,174 1,175 1,176 3,178 1,179 4,180 1,181 7,183 1,184 3,185 1,186 2,188 5,189 1,193 6,197 1,199 2,202 3,203 5,206 1,208 4,209 1,216 2,218 2,219 3,220 2,221 2,223 1,224 1,226 1,228 5,229 1,231 1,232 1,236 2,239 1,240 5,243 1,245 1,246 1,247 3,248 1,249 1,250 1,252 1,254 1,255 1,256 1,257 2,259 1,260 3,261 2,262 1,264 865,265 16.19,266 16.19,267 16.19,268 16.19,269 16.19,270 14.721,271 19.318,272 9.116,273 16.508,274 13.22,275 13.22,276 13.22,277 13.22,278 13.22,279 10.903,280 19.2,281 4.247,282 13.772,283 3.568,284 1.322,285 0.589,286 0.399,287 0.399,288 0.399,289 3.935,292 1,293 1,294 540,295 3.742,296 47.722,298 161.592,300 101.495,303 1.549,304 47.139,307 1,308 1,309 1,310 1,311 1,312 0.83,313 0.5,314 0.9,315 56.5,316 256,317 4.602,318 4.61,319 7.219,320 4.38,321 3.437,322 3.917,323 3.434,324 12.723,325 3.239,326 4.206,327 3.843,328 6.38,329 3.936,330 2.945,331 3.706,332 2.083,333 9.555,334 2.915,335 4.039,336 3.74,337 6.282,338 3.709,339 2.721,340 3.301,341 1.976,342 9.178,343 2.677,344 3.743,345 3.594,346 5.239,347 3.353,348 2.379,349 3.05,350 1.437,351 6.396,352 2.309,353 3.276,354 2.945,355 5.026,356 2.894,357 1.942,358 2.485,359 0.847,360 5.564,361 1.857,362 3.223,363 2.827,364 4.966,365 2.884,366 1.905,367 2.288,368 0.695,369 5.234,370 1.829,371 2.852,372 2.508,373 4.779,374 2.487,375 1.549,376 1.822,377 0.439,378 4.465,379 1.408,380 2.5,381 2.485,382 4.634,383 2.306,384 1.358,385 1.5,386 0.122,387 4.191,388 1.274,389 2.464,390 1.899,391 3.692,392 2,393 1,394 1.441,396 2.275,397 1,398 2.128,399 1.468,400 3.414,401 1.803,402 0.852,403 1.002,405 2.15,406 0.791,407 1.933,408 1.353,409 3.399,410 1.556,411 0.594,412 0.711,414 1.447,415 0.553,416 1.019,417 1,418 2.693,419 0.81,420 -0.11,421 -0.116,423 -0.264,424 -0.099,425 1,426 0.659,427 2.622,428 0.66,429 -0.273,430 -0.327,432 -0.585,433 -0.251,434 0.88,435 0.373,436 2.251,437 0.514,438 -0.477,439 -0.566,441 -1.378,442 -0.453,443 0.523,444 0.168,445 2,446 0.167,447 -0.853,448 -0.993,450 -2,451 -0.826,452 11.7,453 0.468,454 0.865,455 0.035,456 28.75,457 1.15,458 12.5,459 0.5,460 16.25,461 0.65,462 22.385,463 0.895,464 27.9,465 0.664,466 23.04,467 0.922,468 5.548,469 0.222,470 6.259,471 0.25,472 0.219,474 0.462,476 0.858,477 1.132,478 0.744,479 0.851,480 0.758,481 0.816,482 0.526,483 1.285,484 1.023,485 1.227,486 0.501,487 1.016,488 0.775,489 1.107,490 0.947,491 1.084,492 0.835,493 1.099,494 1.11,495 1.169,496 1.148,497 1.191,498 1.072,499 1.056,500 1.241,501 1.056,502 0.956,503 0.986,504 1.323,505 1.016,506 1.05,507 0.829,508 1.023,509 0.866,510 1.148,511 0.906,512 1.112,513 0.886,514 1.128,515 0.914,516 1.06,517 0.924,518 0.831,519 0.98,520 1.046,521 1.013,522 0.796,523 0.967,524 5.5,525 0.136,526 3.778,527 3.125,528 1.907,529 1.215,530 0.588,531 0.42,532 0.271,533 0.212,534 6705,535 24170,536 1.969,537 40.5,538 3,539 8,540 1,542 5,547 1.68,548 1.765,549 3.319,550 2.686,552 1,555 76.626,556 1.824,557 4.071,558 4.803,559 4.993,560 4.993,561 4.993,562 2.759,563 4.324,564 4.616,565 3.476,566 1042.69,567 7.981,568 12529.8,570 1,573 226.477,574 1.55,575 4.527,576 0.204,577 0.009,578 0.099,579 0.076,580 0.05,581 0.038,582 0.024,583 0.018,584 0.012,585 0.011,586 0.541,587 0.17,588 1,589 0.886,590 120.351,591 -0.168,592 0.063,593 0.001,594 0.155,595 -0.127,596 0.11,597 0.139,598 -0.116,599 -0.02,600 -0.086,601 0.111,602 -0.028,603 0.046,604 -0.025,605 -0.042,606 -0.076,607 -0.027,608 -0.141,609 -0.169,610 -0.152,611 -0.092,612 -0.167,613 -0.12,614 -0.082,615 -0.011,616 -0.127,617 0.025,618 -0.078,619 -0.013,620 -0.093,621 -0.018,622 0.103,623 0.015,624 0.083,625 -0.068,626 0.078,627 -0.098,628 0.112,629 -0.089,630 0.088,631 -0.044,632 0.042,633 0.086,634 0.01,635 0.004,636 0.025,637 0.154,638 0.036,639 2.818,640 5.324,641 0.56,642 20.272,643 1.029,644 1.128,645 0.502,646 0.252,647 0.673,648 3.332,649 3.714,650 4.025,651 4.263,652 4.477,653 4.543,654 4.615,655 4.564,656 4.543,657 4.554,658 6.05,659 0.655,660 363.43,661 3.332,662 4.905,663 5.784,664 6.696,665 7.599,666 8.518,667 9.433,668 10.357,669 11.278,670 12.206,671 7.1,672 1,678 2,687 4,692 2,694 6,704 1,707 42,708 1,709 10,710 1,711 27,712 44,713 16,714 6,715 2,716 4,717 3,718 3,719 4,723 1,726 1,728 2,730 11,731 5,734 4,738 3,741 5,743 1,744 1,747 17,748 8,749 5,750 9,751 1,753 3,758 0.667,759 5,770 1,772 2,774 1,779 1,780 1,781 1,783 1,784 1,785 1,789 1,791 2,792 1,793 1,794 1,797 25,798 1,801 2,802 1,803 1,805 1,806 3,807 1,815 11.9,817 2,818 3,822 14.167,823 7.433,824 5.417,825 2.204,827 1.421,828 1.201,829 0.909,830 4.885,831 8.506,832 3.555,833 4.103,834 4.567,835 4.983,836 5.364,837 5.365,838 5.548,839 5.547,840 5.554,841 5.77,842 0.857,843 41,844 9.364,846 4.282,847 8.32,848 16.901,850 14.265,853 2.82,854 70.5,858 141.253,859 99.296,860 54.032,862 160.801,864 32.22,865 67.077,866 302.055,867 54.032,868 8.825,869 54.932,870 37.905,871 173.877,872 6.371,873 11.771,874 161.702,876 141.253,877 121.109,878 160.801,879 32.22,880 141.253,881 160.801,884 63.757,885 54.595,886 2.757,887 32.22,888 141.253,889 214.834,890 99.296,893 141.253,894 52.566,895 49.855,896 18.011,897 193.699,898 141.253,899 214.834,900 99.296,901 0.601,902 0.364,903 0.189,904 0.103,905 20,906 11,907 0.091,908 4,909 1,910 1.143,911 3.57,912 207.119,913 0.143,914 14,915 112.096,916 1,918 17.95,919 6.804,920 3.181,922 214.834,923 5.891,928 0.556,930 136.275,931 455.383,932 34,936 36.008,939 -1.538,941 43.204,942 47.368,943 0.338,944 0.755,945 0.891,946 0.926,947 0.926,948 0.926,949 4.848,950 1.358,951 5.82,952 4.465,953 4.394,954 4.787,955 3.809,956 6.713,957 4.317,958 6.064,959 1,960 7.442,961 4.191,962 4.205,963 4.718,964 2.335,965 7.799,966 4.109,967 7.397,968 0.852,969 9.166,970 2.275,971 6.089,972 6.866,973 5.811,974 10.985,975 5.937,976 8.758,977 0.594,978 10.947,979 2.15,980 6.698,981 7.542,982 4.013,983 12.927,984 6.514,985 10.152,986 -0.11,987 12.768,988 1.447,989 8.119,990 9.232,991 8.15,992 15.666,993 7.882,994 11.566,995 -0.273,996 14.616,997 -0.264,998 9.071,999 10.225,1000 5.593,1001 17.958,1002 8.786,1003 12.997,1004 -0.477,1005 16.486,1006 -0.585,1007 10.337,1008 11.74,1009 10.58,1010 20.554,1011 9.997,1012 3.437,1013 -0.853,1014 18.373,1015 -1.378,1016 11.436,1017 12.887,1018 7.208,1019 22.989,1020 11.039,1021 2.945,1022 12.723,1023 20.274,1024 -2,1025 12.655,1026 14.321,1027 13.036,1028 25.541,1029 12.2,1030 2.721,1031 9.555,1032 22.186,1033 3.917,1034 13.819,1035 15.549,1036 9.005,1037 28.037,1038 13.3,1039 2.379,1040 9.178,1041 24.108,1042 3.706,1043 15.029,1044 16.943,1045 15.499,1046 30.577,1047 14.449,1048 1.942,1049 6.396,1050 26.037,1051 3.301,1052 16.222,1053 18.219,1054 11.11,1055 33.099,1056 15.577,1057 1.905,1058 5.564,1059 27.972,1060 3.05,1061 17.434,1062 19.593,1063 17.965,1064 35.638,1065 16.725,1066 1.549,1067 5.234,1068 29.913,1069 2.485,1070 18.643,1071 20.897,1072 13.483,1073 38.17,1074 17.867,1075 6665,1076 12733,1077 16.937,1078 28.267,1079 42.229,1080 46.216,1081 44.873,1082 41.428,1083 41.363,1084 50.443,1085 22.068,1086 126.354,1087 39.705,1088 5.602,1089 6.61,1090 6.633,1091 5.536,1092 5.437,1093 6.917,1094 6.868,1095 20.723,1096 5.239,1097 16.577,1098 1.564,1099 1.712,1100 1.662,1101 1.534,1102 1.532,1103 1.868,1104 0.817,1105 4.68,1106 1.471,1107 4.002,1108 4.031,1109 4.104,1110 3.895,1111 7.475,1112 3.891,1113 3.911,1114 3.935,1115 3.873,1116 3.833,1117 7.432,1118 3.824,1119 3.607,1120 3.642,1121 3.548,1122 3.434,1123 7.423,1124 3.453,1125 3.431,1126 3.471,1127 3.42,1128 3.235,1129 6.471,1130 3.256,1131 3.218,1132 3.219,1133 3.331,1134 2.988,1135 6.351,1136 2.976,1137 2.956,1138 3.033,1139 2.961,1140 2.77,1141 5.002,1142 2.722,1143 2.902,1144 2.964,1145 2.859,1146 2.735,1147 4.549,1148 2.715,1149 2.854,1150 2.925,1151 2.687,1152 2.638,1153 4.413,1154 2.671,1155 0.17,1156 0.171,1157 0.267,1158 0.162,1159 0.127,1160 4.602,1161 0.145,1162 4.61,1163 0.127,1164 7.219,1165 0.471,1166 4.38,1167 0.12,1168 3.437,1169 3.917,1170 3.434,1171 12.723,1172 3.239,1173 1.92,1174 1.896,1175 2.02,1176 2.061,1177 1.3,1178 2.048,1179 1.875,1180 1.851,1181 1.943,1182 1.994,1183 1.134,1184 1.996,1185 1.543,1186 1.505,1187 1.723,1188 1.746,1189 0.942,1190 1.736,1191 1.351,1192 1.311,1193 1.535,1194 1.594,1195 0.61,1196 1.582,1197 1.046,1198 1.044,1199 1.298,1200 1.402,1201 0.495,1202 1.344,1203 0.93,1204 0.85,1205 1.181,1206 1.202,1207 0.218,1208 1.237,1209 0.886,1210 0.821,1211 1.169,1212 1.134,1213 0.15,1214 1.12,1215 0.774,1216 0.742,1217 1.002,1218 1.062,1220 1.107,1221 4.007,1222 5.407,1224 7.018,1226 8.727,1228 10.49,1229 1.673,1232 5.898,1233 18.565,1234 0.479,1235 2.599,1237 1.401,1238 -2.242,1239 1.211,1243 27.513,1244 76.626,1245 170.968,1246 201.722,1247 209.722,1248 209.722,1249 209.722,1250 74.66,1251 7.085,1252 132.96,1253 158.26,1254 16,1255 12.711,1256 3.459,1257 3,1258 41.841,1259 91,1260 96,1261 0.23,1262 173.071,1263 314.36,1264 414.053,1265 10176,1267 18.301,1268 0.732,1269 0.565,1270 18.654,1271 14.117,1272 11.807,1273 0.437,1274 0.318,1275 7.503,1276 10.854,1277 7.244,1278 5.939,1279 12.262,1280 8.584,1281 11.232,1282 0.281,1283 0.175,1284 11.757,1285 7.004,1286 9.499,1287 0.173,1288 0.102,1289 10.264,1290 5.618,1291 7.575,1292 0.108,1293 0.058,1294 8.443,1295 4.07,1296 6.039,1297 0.069,1298 0.034,1299 7.028,1300 2.993,1301 0.359,1302 79.47,1303 0.243,1304 24.141,1305 0.638,1306 134,1307 465.657,1308 173.961,1309 460.887,1310 600.04,1311 424,1312 162,1313 404.163,1314 201.092,1315 415.389,1316 616.96,1317 389,1318 5.064}
{0 CHEMBL1790041,1 1.729,2 11.19,3 1.466,4 2.15,5 85.127,6 7.313,7 0.238,8 3.833,9 3.97,10 3.412,11 3.253,12 4.945,13 3.204,14 4.356,15 4.569,16 3.64,17 3.582,18 5.513,19 3.495,20 4.471,21 4.68,22 3.606,23 3.651,24 5.427,25 3.522,26 4.609,27 4.887,28 3.624,29 3.685,30 5.55,31 3.517,32 4.52,33 4.754,34 3.513,35 3.596,36 5.524,37 3.467,38 4.511,39 4.765,40 3.36,41 3.543,42 5.481,43 3.345,44 4.197,45 4.435,46 3.342,47 3.342,48 5.15,49 3.156,50 4.132,51 4.41,52 3.015,53 3.209,54 4.941,55 3.039,56 0.149,57 0.619,58 10.49,59 3.711,60 9.044,61 5.212,62 0.384,63 0.869,64 22.41,65 6.061,66 47.774,67 8.289,68 0.449,69 0.922,70 24.473,71 6.963,72 31.61,73 9.626,74 0.481,75 0.964,76 27.902,77 7.884,78 43.632,79 11.391,80 0.498,81 0.861,82 25.269,83 6.654,84 48.536,85 9.354,86 0.526,87 0.817,88 28.401,89 7.182,90 61.356,91 9.922,92 0.296,93 0.659,94 21.933,95 5.857,96 31.97,97 7.572,98 0.257,99 0.591,100 20.204,101 5.194,102 19.957,103 7.192,104 45,105 26,106 0.309,107 0.599,108 0.776,109 0.827,110 0.835,111 0.835,112 3.1,113 1.105,114 -1.89,115 -1.95,116 -1.95,117 30.2,122 3,123 4,130 1,132 1,133 2,143 2,155 2,160 1,163 1,164 2,168 1,175 1,176 2,179 2,181 1,184 1,188 1,191 4,196 1,208 1,216 2,219 1,221 1,228 2,233 1,243 1,245 1,251 1,252 1,255 1,257 1,264 606,265 13.715,266 13.715,267 13.715,268 13.715,269 13.715,270 12.538,271 19.828,272 8.55,273 14.237,274 10.343,275 10.343,276 10.343,277 10.343,278 10.343,279 8.507,280 24.185,281 4.045,282 11.093,283 3.697,284 2.07,285 1.082,286 0.797,287 0.75,288 0.75,289 3.738,291 1,292 1,293 1,294 458,295 4.243,297 72.51,303 1.819,304 19.327,306 1,307 1,308 0.83,309 0.83,310 1,311 1,312 1,313 1,314 0.95,315 47,316 235,317 4.124,318 4.25,319 5.675,320 3.75,321 2.763,322 3.735,323 3.272,324 7.971,325 2.728,326 4.05,327 3.687,328 5.406,329 3.499,330 2.561,331 3.592,332 2.612,333 7.118,334 2.402,335 3.462,336 2.998,337 5.029,338 3.177,339 2.243,340 2.654,341 0.916,342 6.084,343 2.097,344 3.37,345 2.728,346 4.415,347 2.895,348 1.95,349 2.507,350 0.647,351 4.551,352 1.84,353 2.918,354 2.625,355 4.338,356 2.694,357 1.776,358 1.954,359 0.247,360 4.34,361 1.629,362 2.618,363 2.241,364 3.673,365 2.408,366 1.504,367 1.615,368 0.172,369 3.215,370 1.333,371 2.214,372 1.725,373 3.281,374 1.784,375 0.863,376 1.093,378 1.879,379 0.782,380 1.877,381 1.239,382 3.068,383 1.605,384 0.687,385 0.819,387 1.545,388 0.624,389 1.591,390 1,391 2.551,392 1.247,393 0.327,394 0.373,396 0.485,397 0.299,398 1.097,399 0.76,400 2.461,401 0.834,402 -0.088,403 -0.102,405 -0.207,406 -0.079,407 1,408 0.698,409 2.31,410 0.599,411 -0.348,412 -0.39,414 -0.913,415 -0.327,416 0.799,417 0.053,418 1.779,419 0.208,420 -0.702,421 -0.804,423 -1.624,424 -0.63,425 0.442,426 0.003,427 1.396,429 -1,430 -1,432 -2,433 -0.9,434 0.066,435 -0.6,436 1.227,437 -0.1,438 -1,439 -1.176,441 -2,442 -1,444 -0.611,445 1.106,446 -0.161,447 -1.096,448 -1.566,449 -0.247,450 -2.527,451 -1.021,452 9.933,453 0.473,454 0.493,455 0.023,456 21.5,457 1.024,458 8,459 0.381,460 13.5,461 0.643,462 18.066,463 0.86,464 25.467,465 0.592,466 14.649,467 0.698,468 4.311,469 0.205,470 5.697,471 0.271,472 0.218,474 0.232,476 0.634,477 1.603,478 0.814,479 1.189,480 0.531,481 1.166,482 0.896,483 1.039,484 1.198,485 1.136,486 0.38,487 0.951,488 1.014,489 1.15,490 1.162,491 1.249,492 0.732,493 1.244,494 0.476,495 0.963,496 0.826,497 0.956,498 0.37,499 0.927,500 1.432,501 0.912,502 1.077,503 0.917,504 1.136,505 1.004,506 1.161,507 1.021,508 1.295,509 1.195,510 1.51,511 1.113,512 0.901,513 1.241,514 1.302,515 1.43,516 1.034,517 1.167,518 0.573,519 1.075,520 1.305,521 1.33,522 0.389,523 0.968,524 5,525 0.086,526 1.111,527 1.319,528 0.685,529 0.462,530 0.178,531 0.197,532 0.099,533 0.149,534 4532,535 14798,536 1.868,537 51.2,539 19,540 1,542 2,547 1.622,548 1.726,549 3.466,550 0.472,551 1,552 1,554 1,555 74.361,556 1.729,557 3.357,558 4.344,559 4.629,560 4.676,561 4.676,562 2.915,563 3.821,564 4.365,565 3.665,566 769.606,567 7.429,568 9115.78,570 1,572 1,573 233.329,574 1.475,575 4.302,576 0.238,577 0.007,578 0.043,579 0.06,580 0.03,581 0.023,582 0.012,583 0.014,584 0.007,585 0.011,586 0.444,587 0.33,588 1,589 2.681,590 99.58,591 0.139,592 -0.229,593 0.073,594 -0.05,595 0.011,596 -0.069,597 0.009,598 0.149,599 -0.054,600 0.024,601 0.273,602 0.074,603 -0.06,604 -0.04,605 -0.143,606 -0.149,607 -0.098,608 -0.212,609 0.223,610 0.005,611 0.152,612 0.045,613 0.178,614 0.078,615 -0.269,616 0.061,617 -0.095,618 0.064,619 -0.138,620 -0.034,621 -0.124,622 -0.083,623 -0.129,624 -0.065,625 -0.212,626 -0.104,627 -0.041,628 -0.186,629 0.002,630 -0.135,631 -0.08,632 -0.098,633 0.098,634 -0.072,635 -0.067,636 -0.123,637 0.093,638 0.079,639 2.485,640 3.349,641 0.238,642 20.041,643 1.01,644 1.146,645 0.658,646 0.434,647 0.625,648 3.091,649 3.296,650 3.332,651 3.497,652 3.401,653 3.332,654 3.296,655 3.135,656 3.135,657 3.178,658 6.868,659 0.585,660 314.46,661 3.091,662 4.554,663 5.303,664 6.116,665 6.887,666 7.703,667 8.484,668 9.302,669 10.09,670 10.908,671 9.3,673 2,674 1,683 1,687 2,690 1,692 2,694 5,707 43,709 8,711 21,712 43,713 13,714 4,718 1,719 1,730 6,731 7,734 3,735 1,738 2,739 1,741 1,743 1,744 1,746 1,747 22,748 6,749 2,750 8,751 1,753 4,758 1,759 3,771 1,786 2,787 1,788 1,791 1,792 1,793 1,794 3,797 21,802 4,803 2,805 1,807 1,815 7,820 1,821 2,822 12.167,823 8.317,824 4.917,825 2.244,827 1.289,828 1.22,829 0.895,830 8.451,831 7.158,832 3.314,833 3.767,834 4.041,835 4.467,836 4.42,837 4.379,838 4.408,839 4.172,840 4.261,841 4.563,842 1,843 22,844 7.702,846 2.954,847 7.944,848 14.541,850 10.664,853 2.444,854 51.333,858 235.422,859 104.645,860 44.816,862 60.254,864 32.22,865 72.425,866 295.676,867 44.816,868 30.859,869 15.058,870 54.974,872 14.96,873 22.669,874 255.87,875 50.747,876 235.422,877 117.241,878 60.254,879 32.22,880 235.422,881 9.507,882 50.747,884 45.157,885 72.085,887 32.22,888 235.422,889 105.07,890 104.645,893 235.422,894 51.456,895 61.983,896 36.022,897 60.254,898 235.422,899 105.07,900 104.645,901 0.551,902 0.276,903 0.149,904 0.072,905 8,906 5,907 0.233,908 10,910 1,911 3.426,912 130.155,914 5,915 86.239,916 1,918 18.037,919 9.839,920 8.113,922 99.4,923 3.984,926 5.7,928 1.909,930 36.022,931 445.137,932 26.5,933 -0.485,936 20.699,937 0.921,939 0.409,941 43.418,942 49.278,943 0.319,944 0.619,945 0.801,946 0.853,947 0.862,948 0.862,949 4.491,950 0.687,951 5.242,952 1.879,953 3.97,954 4.449,955 3.586,956 5.883,957 3.852,958 5.645,959 0.327,960 6.696,961 1.545,962 3.434,963 4.248,964 2.396,965 6.447,966 3.319,967 6.906,968 -0.088,969 8.238,970 0.485,971 5.398,972 6.478,973 5.685,974 9.405,975 5.198,976 8.199,977 -0.348,978 9.828,979 -0.207,980 5.602,981 7.074,982 4.512,983 10.747,984 5.421,985 9.521,986 -0.702,987 11.45,988 -0.913,989 7.054,990 8.786,991 7.951,992 13.191,993 6.8,994 10.86,995 -1,996 13.092,997 -1.624,998 7.623,999 9.745,1000 6.557,1001 14.892,1002 7.392,1003 12.214,1004 -1,1005 14.749,1006 -2,1007 8.842,1008 11.238,1009 10.266,1010 17.121,1011 8.555,1012 2.763,1013 -1.096,1014 16.418,1015 -2,1016 9.608,1017 12.373,1018 8.548,1019 18.999,1020 9.338,1021 2.561,1022 7.971,1023 18.095,1024 -2.527,1025 10.712,1026 13.767,1027 12.603,1028 21.132,1029 10.402,1030 2.243,1031 7.118,1032 19.779,1033 3.735,1034 11.585,1035 14.988,1036 10.509,1037 23.1,1038 11.285,1039 1.95,1040 6.084,1041 21.47,1042 3.592,1043 12.634,1044 16.334,1045 14.954,1046 25.19,1047 12.305,1048 1.776,1049 4.551,1050 23.165,1051 2.654,1052 13.565,1053 17.597,1054 12.452,1055 27.204,1056 13.241,1057 1.504,1058 4.34,1059 24.863,1060 2.507,1061 14.587,1062 18.922,1063 17.312,1064 29.277,1065 14.242,1066 0.863,1067 3.215,1068 26.566,1069 1.954,1070 15.549,1071 20.206,1072 14.386,1073 31.314,1074 15.206,1075 4828,1076 8875,1077 13.118,1078 26.887,1079 29.732,1080 32.752,1081 30.304,1082 29.321,1083 29.347,1084 36.681,1085 15.736,1086 74.378,1087 27.468,1088 5.049,1089 6.011,1090 5.449,1091 4.859,1092 4.749,1093 6.347,1094 6.545,1095 13.548,1096 4.616,1097 13.45,1098 1.416,1099 1.56,1100 1.443,1101 1.396,1102 1.397,1103 1.747,1104 0.749,1105 3.542,1106 1.308,1107 3.95,1108 3.967,1109 3.99,1110 3.812,1111 7.816,1112 3.818,1113 3.848,1114 3.893,1115 3.812,1116 3.569,1117 6.999,1118 3.6,1119 3.565,1120 3.642,1121 3.706,1122 3.407,1123 5.034,1124 3.363,1125 3.506,1126 3.572,1127 3.374,1128 3.269,1129 4.541,1130 3.266,1131 3.341,1132 3.433,1133 3.289,1134 2.975,1135 4.272,1136 3.021,1137 3.077,1138 3.153,1139 2.98,1140 2.921,1141 4.05,1142 2.883,1143 2.874,1144 3.009,1145 2.646,1146 2.618,1147 3.758,1148 2.588,1149 2.844,1150 2.933,1151 2.507,1152 2.604,1153 3.621,1154 2.57,1155 0.196,1156 0.202,1157 0.27,1158 0.179,1159 0.132,1160 4.124,1161 0.178,1162 4.25,1163 0.156,1164 5.675,1165 0.38,1166 3.75,1167 0.13,1168 2.763,1169 3.735,1170 3.272,1171 7.971,1172 2.728,1173 1.695,1174 1.642,1175 1.868,1176 2.013,1177 1.123,1178 1.945,1179 1.647,1180 1.589,1181 1.846,1182 1.882,1183 1.032,1184 1.881,1185 1.568,1186 1.539,1187 1.709,1188 1.745,1189 0.877,1190 1.754,1191 1.394,1192 1.332,1193 1.649,1194 1.658,1195 0.749,1196 1.629,1197 1.275,1198 1.215,1199 1.53,1200 1.578,1201 0.656,1202 1.596,1203 1.225,1204 1.13,1205 1.491,1206 1.529,1207 0.488,1208 1.531,1209 0.934,1210 0.804,1211 1.417,1212 1.239,1213 0.469,1214 1.308,1215 0.846,1216 0.776,1217 1.174,1218 1.137,1219 0.351,1220 1.162,1221 3.761,1222 4.99,1223 2.398,1224 6.358,1225 4.595,1226 7.794,1227 6.555,1228 9.274,1229 5.644,1234 3.073,1235 5.708,1237 1.715,1239 2.056,1243 25.158,1244 74.361,1245 144.333,1246 186.8,1247 199.065,1248 201.065,1249 201.065,1250 48.799,1251 5.869,1252 86.26,1253 111.56,1254 5,1255 11.498,1256 3.17,1257 2.7,1258 54.338,1259 88,1260 67,1261 0.301,1262 166.665,1263 288.52,1264 398.422,1265 2326,1267 15.665,1268 0.746,1269 0.638,1270 16.018,1271 13.404,1272 10.007,1273 0.477,1274 0.368,1275 6.522,1276 8.866,1277 6.142,1278 5.21,1279 10.507,1280 7.734,1281 8.716,1282 0.335,1283 0.222,1284 9.214,1285 5.768,1286 5.561,1287 0.206,1288 0.129,1289 6.118,1290 3.481,1291 4.52,1292 0.141,1293 0.074,1294 5.028,1295 2.378,1296 2.893,1297 0.1,1298 0.052,1299 3.417,1300 1.505,1301 0.496,1302 69.589,1303 0.276,1304 21.792,1305 0.757,1306 94,1307 350.023,1308 127.572,1309 346.819,1310 443.61,1311 320,1312 100,1313 296.164,1314 129.947,1315 302.032,1316 421.55,1317 276,1318 3.631}
{0 CHEMBL252036,1 2.181,2 8.682,3 -1.562,4 2.441,5 71.958,6 10.037,7 0.417,8 3.694,9 3.786,10 3.65,11 3.124,12 4.978,13 3.154,14 4.231,15 4.335,16 3.938,17 3.438,18 5.886,19 3.512,20 4.387,21 4.519,22 3.859,23 3.429,24 5.93,25 3.497,26 4.338,27 4.529,28 3.809,29 3.449,30 5.672,31 3.459,32 4.274,33 4.432,34 3.759,35 3.388,36 5.819,37 3.384,38 4.199,39 4.39,40 3.633,41 3.153,42 5.601,43 3.209,44 3.997,45 4.157,46 3.516,47 3.021,48 5.898,49 3.006,50 3.841,51 4.067,52 3.222,53 2.885,54 5.243,55 2.805,56 0.45,57 0.572,58 6.117,59 3.256,60 55.09,61 2.195,62 0.992,63 0.833,64 14.085,65 5.154,66 109.963,67 3.825,68 1.264,69 0.877,70 12.269,71 4.817,72 139.553,73 4.289,74 1.054,75 0.861,76 16.811,77 5.389,78 91.859,79 5.323,80 1,81 0.854,82 12.57,83 5.354,84 102.778,85 4.984,86 1.026,87 0.711,88 17.167,89 4.589,90 116.391,91 4.141,92 0.958,93 0.59,94 9.972,95 3.887,96 141.561,97 3.718,98 0.7,99 0.419,100 12.855,101 3.274,102 80.399,103 2.999,104 29,105 36,106 0.404,107 0.792,108 0.891,109 0.891,110 0.891,111 0.891,112 3.147,113 0.971,114 -1.76,115 -1.82,116 -1.84,117 30.3,124 1,126 2,128 1,131 1,137 1,138 1,139 1,149 1,150 1,152 1,153 1,154 1,156 1,159 2,163 5,164 2,165 1,166 1,167 3,168 1,175 3,176 1,178 1,179 3,187 4,189 1,190 2,191 2,197 1,202 1,203 3,206 2,208 2,215 3,217 1,218 1,219 1,227 1,228 1,231 2,233 1,238 1,239 1,241 2,242 1,243 1,251 2,255 4,264 630,265 14.171,266 14.171,267 14.171,268 14.171,269 14.171,270 12.526,271 14.462,272 8.023,273 14.609,274 11.838,275 11.838,276 11.838,277 11.838,278 11.838,279 9.322,280 15.015,281 3.805,282 12.624,283 2.863,284 0.773,285 0.242,286 0.242,287 0.242,288 0.242,289 3.818,293 1,294 404,295 3.391,297 101.857,298 56.231,301 84.842,303 1.529,304 45.227,307 1,308 0.83,309 1,310 0.4,312 0.83,313 0.5,314 0.65,315 52.667,316 191,317 4.644,318 3.728,319 6.864,320 4.181,321 3.253,322 4.583,323 1.97,324 11.428,325 3.082,326 4.381,327 3.214,328 6.399,329 4.094,330 3.103,331 3.718,332 1.464,333 9.965,334 3.01,335 4.139,336 3.095,337 6.281,338 3.803,339 2.858,340 3.455,341 0.479,342 9.365,343 2.693,344 3.618,345 2.801,346 5.521,347 3.231,348 2.286,349 2.982,350 0.174,351 7.092,352 2.157,353 3.052,354 2.4,355 5.048,356 2.833,357 1.899,358 2.323,360 5.665,361 1.756,362 3.029,363 1.862,364 4.5,365 2.454,366 1.55,367 2.065,369 4.067,370 1.4,371 2.799,372 1.548,373 4.091,374 2.302,375 1.399,376 1.848,378 3.665,379 1.254,380 2.378,381 1.354,382 3.82,383 1.848,384 0.944,385 1.311,387 2.468,388 0.849,389 2.002,390 1.08,391 3.339,392 1.595,393 0.709,394 0.86,396 1.762,397 0.623,398 1.661,399 0.834,400 3.288,401 1.459,402 0.559,403 0.6,405 1.409,406 0.497,407 1.059,408 0.308,409 2.54,410 0.613,411 -0.292,412 -0.37,414 -0.67,415 -0.264,416 0.677,417 -0.153,418 2.469,419 0.293,420 -0.582,421 -0.649,423 -1.459,424 -0.494,425 0.657,426 -0.298,427 2.366,428 0.18,429 -0.774,430 -0.853,432 -2.18,433 -0.719,434 0.466,435 -0.734,436 2,438 -1,439 -1,441 -2.969,442 -0.933,443 0.183,444 -0.935,445 2,447 -1,448 -1.252,450 -3,451 -1,452 9.952,453 0.452,454 0.823,455 0.037,456 27.5,457 1.25,458 11,459 0.5,460 16.5,461 0.75,462 15.896,463 0.723,464 25.448,465 0.771,466 21.416,467 0.973,468 5.541,469 0.252,470 4.808,471 0.219,472 0.169,473 0.1,474 0.342,475 1,476 1.078,477 1.474,478 0.753,479 1.564,480 0.95,481 0.912,482 0.87,483 1.015,484 1.086,485 1.295,486 0.57,487 0.88,488 1.098,489 1.092,490 0.901,491 0.667,492 1.202,493 1.077,494 0.874,495 0.867,496 0.854,497 0.778,498 0.677,499 0.841,500 0.868,501 1.198,502 0.966,503 1.023,504 0.927,505 1.221,506 1.303,507 1.08,508 0.965,509 0.931,510 1.271,511 0.834,512 0.789,513 1.166,514 0.888,515 0.853,516 0.884,517 1.189,518 1.274,519 0.944,520 1.339,521 1.163,522 1.308,523 0.997,524 6,525 0.112,526 2.889,527 1.854,528 1.388,529 0.643,530 0.625,531 0.281,532 0.199,533 0.18,534 4660,535 21114,536 2.006,537 33.3,539 1,540 4,541 2,542 4,547 1.645,548 1.821,549 3.093,550 2.138,555 71.973,556 2.181,557 4.271,558 4.802,559 4.802,560 4.802,561 4.802,562 2.556,563 3.936,564 4.429,565 3.297,566 761.535,567 7.609,568 8255.9,573 166.465,574 1.742,575 4.35,576 0.25,577 0.014,578 0.08,579 0.058,580 0.046,581 0.024,582 0.027,583 0.015,584 0.015,585 0.014,586 0.543,587 0.17,588 0.88,589 1.297,590 100.547,591 -0.334,592 -0.341,593 0.151,594 -0.2,595 -0.276,596 0.024,597 0.057,598 -0.006,599 -0.196,600 -0.167,601 0.194,602 -0.007,603 -0.07,604 -0.065,605 -0.189,606 -0.005,607 -0.179,608 -0.213,609 -0.013,610 0.107,611 0.057,612 0.083,613 -0.012,614 0.158,615 0.079,616 -0.115,617 -0.081,618 -0.109,619 0.023,620 -0.237,621 -0.235,622 -0.096,623 0.066,624 -0.017,625 -0.233,626 0.169,627 0.366,628 0.056,629 0.056,630 0.034,631 0.429,632 -0.232,633 -0.256,634 0.124,635 -0.099,636 0.049,637 -0.225,638 0.053,639 5.179,640 5.989,641 0.636,642 17.331,643 1.066,644 1.159,645 0.526,646 0.277,647 0.666,648 3.219,649 3.611,650 3.829,651 4.127,652 4.304,653 4.407,654 4.564,655 4.663,656 4.575,657 4.554,658 5.418,659 0.67,660 331.23,661 3.219,662 4.796,663 5.645,664 6.558,665 7.433,666 8.346,667 9.235,668 10.148,669 11.044,670 11.957,671 15.2,675 1,679 1,681 3,686 2,687 2,688 3,692 1,693 1,694 10,700 1,707 33,709 12,711 24,712 35,713 10,714 5,718 3,719 4,730 7,731 3,733 1,734 2,738 1,739 1,741 1,742 1,745 1,747 11,748 10,749 4,750 12,751 1,752 1,753 5,758 0.667,759 5,764 1,765 1,768 1,771 2,772 1,775 1,783 2,789 2,790 2,791 2,796 1,797 22,798 1,801 2,802 1,804 2,806 2,814 1,815 15.2,816 2,818 1,819 2,822 12.083,823 5.543,824 4.597,825 1.518,826 1,827 2.479,828 1.357,829 0.96,830 3.887,831 9.426,832 3.466,833 4.115,834 4.634,835 5.246,836 5.7,837 6.068,838 6.467,839 6.827,840 6.851,841 7.025,842 0.833,843 32,844 8.531,846 4.209,847 8.529,848 14.439,850 11.984,853 3.029,854 66.639,858 83.646,859 44.145,860 85.153,862 116.527,863 14.96,864 1.248,865 44.145,866 198.924,867 100.113,869 1.763,870 118.245,871 135.617,872 12.662,873 64.372,874 11.771,876 82.398,877 129.297,878 131.487,879 1.248,880 97.358,881 20.263,882 96.263,883 0.36,884 24.759,885 35.225,886 70.202,888 97.358,889 201.68,890 44.145,891 1.248,892 1.248,893 82.757,894 17.072,895 28.613,897 214.741,898 82.398,899 216.64,900 45.393,901 0.604,902 0.325,903 0.173,904 0.094,905 19,906 9,907 0.114,908 4,909 1,910 1.143,911 3.334,912 175,913 0.143,914 14,915 96.107,918 15.342,919 5.574,920 3.143,921 0.551,922 214.741,923 2.48,924 11.711,928 0.139,929 1.278,930 107.161,931 344.43,932 31,936 10.745,937 0.969,939 -0.702,940 -4.374,941 35.167,942 38.263,943 0.432,944 0.847,945 0.952,946 0.952,947 0.952,948 0.952,949 4.749,950 0.944,951 5.707,952 3.665,953 4.29,954 4.8,955 2.504,956 6.586,957 4.166,958 6.011,959 0.709,960 7.318,961 2.468,962 4.205,963 4.902,964 1.69,965 7.789,966 4.078,967 7.372,968 0.559,969 9.032,970 1.762,971 6.014,972 7.086,973 3.387,974 10.779,975 5.795,976 8.768,977 -0.292,978 10.803,979 1.409,980 6.673,981 7.964,982 3.218,983 12.715,984 6.446,985 10.193,986 -0.582,987 12.609,988 -0.67,989 8.048,990 9.711,991 4.469,992 15.303,993 7.747,994 11.637,995 -0.774,996 14.437,997 -1.459,998 8.999,999 10.927,1000 4.649,1001 17.508,1002 8.675,1003 13.097,1004 -1,1005 16.281,1006 -2.18,1007 10.226,1008 12.519,1009 5.664,1010 19.972,1011 9.842,1012 3.253,1013 -1,1014 18.137,1015 -2.969,1016 11.295,1017 13.892,1018 6.043,1019 22.288,1020 10.876,1021 3.103,1022 11.428,1023 20.001,1024 -3,1025 12.471,1026 15.428,1027 6.924,1028 24.713,1029 12,1030 2.858,1031 9.965,1032 21.872,1033 4.583,1034 13.588,1035 16.875,1036 7.421,1037 27.079,1038 13.076,1039 2.286,1040 9.365,1041 23.749,1042 3.718,1043 14.747,1044 18.393,1045 8.224,1046 29.493,1047 14.187,1048 1.899,1049 7.092,1050 25.63,1051 3.455,1052 15.886,1053 19.876,1054 8.791,1055 31.885,1056 15.281,1057 1.55,1058 5.665,1059 27.515,1060 2.982,1061 17.041,1062 21.39,1063 9.546,1064 34.299,1065 16.388,1066 1.399,1067 4.067,1068 29.404,1069 2.323,1070 18.19,1071 22.891,1072 10.157,1073 36.705,1074 17.491,1075 4656,1076 10004,1077 15.315,1078 21.966,1079 37.575,1080 37.929,1081 38.303,1082 37.017,1083 37.121,1084 47.491,1085 8.173,1086 113.772,1087 34.642,1088 5.578,1089 5.728,1090 6.393,1091 5.267,1092 5.253,1093 7.583,1094 3.522,1095 18.94,1096 4.986,1097 13.048,1098 1.566,1099 1.58,1100 1.596,1101 1.542,1102 1.547,1103 1.979,1104 0.341,1105 4.741,1106 1.443,1107 4.102,1108 4.154,1109 4.433,1110 3.928,1111 8.201,1112 3.943,1113 3.796,1114 3.809,1115 4.081,1116 3.882,1117 7.468,1118 3.635,1119 3.646,1120 3.65,1121 3.708,1122 3.559,1123 6.435,1124 3.497,1125 3.301,1126 3.381,1127 3.241,1128 3.036,1129 6.23,1130 3.074,1131 2.992,1132 3.103,1133 2.893,1134 2.693,1135 5.272,1136 2.728,1137 2.885,1138 2.908,1139 2.833,1140 2.547,1141 4.879,1142 2.566,1143 2.567,1144 2.654,1145 2.444,1146 2.255,1147 4.732,1148 2.268,1149 2.464,1150 2.538,1151 2.262,1152 2.132,1153 4.482,1154 2.132,1155 0.194,1156 0.155,1157 0.286,1158 0.174,1159 0.136,1160 4.644,1161 0.191,1162 3.728,1163 0.082,1164 6.864,1165 0.476,1166 4.181,1167 0.128,1168 3.253,1169 4.583,1170 1.97,1171 11.428,1172 3.082,1173 1.795,1174 1.749,1175 1.838,1176 2.004,1177 0.982,1178 1.961,1179 1.6,1180 1.591,1181 1.67,1182 1.778,1183 0.934,1184 1.793,1185 1.534,1186 1.493,1187 1.565,1188 1.731,1189 0.744,1190 1.737,1191 1.332,1192 1.296,1193 1.377,1194 1.494,1195 0.601,1196 1.54,1197 0.981,1198 0.937,1199 1.168,1200 1.295,1201 0.182,1202 1.263,1203 0.793,1204 0.687,1205 1.121,1206 1.219,1208 1.202,1209 0.739,1210 0.66,1211 0.905,1212 1.018,1214 1.003,1215 0.518,1216 0.455,1217 0.769,1218 0.917,1220 0.913,1221 3.892,1222 5.263,1223 3.045,1224 6.797,1225 5.416,1226 8.408,1227 7.526,1228 10.063,1231 13.989,1232 5.638,1233 17.471,1234 -0.881,1236 10.059,1238 -2.435,1243 22.095,1244 71.973,1245 140.955,1246 158.465,1247 158.465,1248 158.465,1249 158.465,1250 44.729,1251 6.947,1252 145.61,1253 155.42,1254 16,1255 12.474,1256 3.7,1257 3,1258 34.5,1259 70,1260 65,1261 0.246,1262 138.957,1263 234.33,1264 330.814,1265 8506,1266 3,1267 15.905,1268 0.723,1269 0.536,1270 15.285,1271 11.799,1272 10.349,1273 0.431,1274 0.324,1275 5.913,1276 8.817,1277 5.743,1278 4.667,1279 10.865,1280 7.766,1281 10.555,1282 0.293,1283 0.168,1284 11.421,1285 6.039,1286 7.755,1287 0.172,1288 0.074,1289 7.798,1290 3.326,1291 6.57,1292 0.108,1293 0.037,1294 6.461,1295 2.283,1296 5.135,1297 0.07,1298 0.02,1299 5.077,1300 1.428,1301 0.379,1302 76.715,1303 0.256,1304 21.49,1305 0.696,1306 120,1307 547.122,1308 176.843,1309 494.179,1310 642.77,1311 454,1312 141,1313 429.629,1314 203.88,1315 447.824,1316 664.5,1317 416,1318 2.915}
{0 CHEMBL29,1 1.722,2 9.522,3 1.312,4 1.722,5 84.583,6 8.157,7 0.24,8 3.822,9 3.921,10 3.498,11 3.393,12 4.976,13 3.354,14 4.364,15 4.509,16 3.969,17 3.828,18 5.565,19 3.748,20 4.654,21 4.811,22 3.958,23 3.979,24 5.796,25 3.863,26 4.767,27 4.982,28 4.024,29 3.854,30 5.985,31 3.798,32 4.649,33 4.834,34 3.757,35 3.628,36 6.197,37 3.577,38 4.418,39 4.655,40 3.386,41 3.434,42 5.633,43 3.351,44 4.134,45 4.324,46 3.42,47 3.397,48 5.354,49 3.318,50 4.18,51 4.35,52 3.401,53 3.382,54 5.667,55 3.283,56 0.09,57 0.598,58 8.072,59 4.111,60 14.53,61 4.744,62 0.346,63 1.012,64 18.097,65 7.3,66 52.755,67 8.671,68 0.529,69 1.272,70 30.242,71 10.342,72 71.481,73 11.518,74 0.528,75 1.247,76 31.634,77 9.854,78 77.643,79 12.02,80 0.958,81 1.023,82 27.126,83 7.961,84 181.22,85 9.157,86 0.66,87 0.849,88 23.444,89 6.315,90 98.738,91 7.65,92 0.245,93 0.681,94 14.316,95 5.563,96 41.208,97 6.697,98 0.508,99 0.691,100 17.299,101 5.905,102 101.938,103 6.595,104 38,105 38,106 0.307,107 0.641,108 0.772,109 0.823,110 0.835,111 0.835,112 3.189,113 0.99,114 -3.05,115 -3.05,116 -2.94,117 39,118 2,119 1,125 2,126 1,127 1,133 5,134 1,147 3,156 1,159 1,160 7,163 1,164 2,165 1,167 2,169 1,172 11,175 1,176 3,179 3,181 2,184 5,185 3,188 6,189 1,193 5,196 1,202 3,203 7,206 1,208 4,209 1,211 1,216 3,219 1,220 1,221 1,224 1,228 6,229 1,236 4,237 1,239 1,240 5,243 1,245 1,247 4,248 1,252 3,257 1,260 5,261 2,264 700,265 14.8,266 14.8,267 14.8,268 14.8,269 14.8,270 13.606,271 15.167,272 8.481,273 15.066,274 12.338,275 12.338,276 12.338,277 12.338,278 12.338,279 10.52,280 15.841,281 4.031,282 12.813,283 3.636,284 1.757,285 1.021,286 0.738,287 0.671,288 0.671,289 3.855,291 1,292 1,293 1,294 464,295 3.742,296 44.915,297 56.455,298 80.865,299 81.414,303 1.456,304 36.824,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 1,315 51,316 219,317 4.689,318 4.952,319 7.645,320 4.576,321 3.648,322 3.771,323 3.152,324 14.063,325 3.379,326 4.114,327 3.952,328 6.819,329 3.981,330 3.017,331 3.477,332 2.377,333 11.021,334 2.895,335 3.945,336 3.715,337 5.723,338 3.61,339 2.607,340 3.208,341 2.01,342 7.503,343 2.61,344 3.517,345 3.594,346 5.483,347 3.204,348 2.243,349 2.717,350 1.953,351 7.16,352 2.142,353 3.463,354 3.173,355 5.041,356 3.093,357 2.09,358 2.58,359 0.612,360 5.684,361 2.066,362 2.865,363 2.612,364 4.844,365 2.452,366 1.474,367 2.005,368 0.325,369 4.487,370 1.438,371 2.747,372 2.225,373 4.613,374 2.4,375 1.441,376 1.696,377 0.051,378 4.094,379 1.345,380 2.5,381 1.861,382 3.793,383 2.264,384 1.286,385 1.5,387 2.983,388 1.24,389 2.487,390 1.561,391 3.566,392 2,393 1,394 1.441,396 2.136,397 1,398 1.79,399 1,400 3.247,401 1.476,402 0.524,403 0.604,405 1.463,406 0.483,407 1.179,408 0.799,409 2.939,410 0.861,411 -0.148,412 -0.176,414 -0.379,415 -0.147,416 0.813,417 0.653,418 2.863,419 0.55,420 -0.412,421 -0.442,423 -1.26,424 -0.377,425 0.651,426 0.456,427 2.513,428 0.337,429 -0.637,430 -0.74,432 -1.826,433 -0.608,434 0.5,435 0.249,436 2.133,437 0.035,438 -1,439 -1,441 -2,442 -0.969,443 0.418,444 0.061,445 2,447 -1,448 -1.3,450 -2.273,451 -1,452 10.967,453 0.477,454 0.863,455 0.038,456 25.25,457 1.098,458 10.5,459 0.457,460 14.75,461 0.641,462 22.145,463 0.963,464 25.633,465 0.625,466 18.075,467 0.786,468 4.628,469 0.201,470 6.181,471 0.269,472 0.213,473 0.046,474 0.356,476 0.71,477 1.22,478 0.733,479 0.946,480 0.619,481 0.918,482 0.46,483 1.161,484 0.899,485 1.052,486 0.448,487 0.953,488 0.871,489 1.244,490 1.572,491 1.486,492 0.94,493 1.28,494 1.007,495 1.091,496 0.791,497 1.053,498 0.999,499 0.922,500 1.478,501 1.037,502 1.041,503 0.935,504 1.49,505 1.033,506 1.45,507 0.596,508 1.079,509 0.631,510 1.471,511 0.739,512 0.981,513 0.971,514 0.787,515 0.894,516 0.971,517 0.938,518 1.154,519 0.977,520 1.22,521 1.054,522 1.196,523 1.072,524 6,525 0.103,526 2.889,527 3.41,528 2.083,529 0.643,530 0.578,531 0.319,532 0.235,533 0.201,534 5390,535 16930,536 1.981,537 43.9,539 7,540 1,542 2,543 2,544 6,547 1.656,548 1.781,549 3.205,550 0.364,551 1,552 1,554 1,555 70.601,556 1.722,557 3.601,558 4.336,559 4.619,560 4.687,561 4.687,562 2.682,563 4.002,564 4.495,565 3.374,566 853.56,567 7.736,568 9646.32,569 1,570 1,573 219.66,574 1.762,575 4.403,576 0.24,577 0.009,578 0.08,579 0.097,580 0.06,581 0.025,582 0.029,583 0.015,584 0.012,585 0.013,586 0.58,587 0.33,588 1,589 0.899,590 107.323,591 -0.079,592 -0.049,593 0.041,594 0.071,595 -0.059,596 0.05,597 0.201,598 -0.005,599 0.127,600 0.066,601 0.133,602 0.044,603 -0.023,604 -0.124,605 -0.34,606 -0.27,607 -0.118,608 -0.277,609 -0.008,610 -0.134,611 0.189,612 -0.112,613 -0.009,614 0.047,616 -0.126,617 -0.096,618 -0.07,619 0.054,620 -0.144,621 -0.219,622 0.362,623 -0.08,624 0.246,625 -0.22,626 0.18,627 -0.084,628 -0.008,629 0.079,630 0.046,631 -0.03,632 0.046,633 0.031,634 -0.002,635 -0.153,636 -0.011,637 0.105,638 -0.11,639 2.674,640 5.268,641 0.565,642 18.665,643 1.016,644 1.124,645 1.821,646 3.316,647 0.672,648 3.258,649 3.664,650 3.951,651 4.277,652 4.443,653 4.522,654 4.5,655 4.443,656 4.357,657 4.382,658 5.696,659 0.642,660 334.43,661 3.258,662 4.844,663 5.72,664 6.661,665 7.569,666 8.519,667 9.445,668 10.401,669 11.339,670 12.299,671 4.9,678 2,687 5,692 1,694 6,707 41,708 1,709 9,710 1,711 25,712 43,713 16,714 6,715 1,716 5,718 3,719 4,723 2,726 2,727 1,728 3,730 9,731 7,732 1,734 3,738 3,741 3,743 1,744 1,747 18,748 6,749 2,750 7,751 1,753 2,758 0.667,759 4,770 1,771 1,772 1,773 1,779 1,780 1,781 1,789 1,791 2,792 1,793 1,794 2,797 23,801 1,802 1,803 1,805 1,806 3,807 1,808 1,815 9.8,817 1,818 3,822 12.917,823 7.733,824 4.875,825 2.324,827 1.095,828 1.158,829 0.896,830 4.15,831 8.02,832 3.466,833 3.98,834 4.353,835 4.809,836 5.135,837 5.057,838 5.178,839 5.282,840 5.157,841 5.419,842 1,843 35,844 8.64,846 3.949,847 8.141,848 15.977,850 13.796,853 2.641,854 60.75,858 188.338,859 113.29,860 21.135,862 118.118,864 32.22,865 81.071,866 306.456,867 21.135,868 17.65,869 23.67,870 47.381,871 128.437,872 3.186,873 11.771,874 208.786,876 188.338,877 102.206,878 118.118,879 32.22,880 117.711,881 188.745,884 41.32,885 60.886,887 32.22,888 188.338,889 139.253,890 113.29,893 188.338,894 48.259,895 68.156,896 18.011,897 118.118,898 188.338,899 139.253,900 113.29,901 0.601,902 0.348,903 0.198,904 0.106,905 20,906 10,907 0.093,908 4,909 1,910 1.154,911 3.432,912 185.383,913 0.154,914 13,915 98.042,916 1,918 16.342,919 5.84,920 2.857,922 139.253,923 9.278,928 0.872,930 60.694,931 440.881,932 31,936 35.816,939 -1.555,941 41.658,942 46.076,943 0.321,944 0.672,945 0.809,946 0.862,947 0.875,948 0.875,949 4.775,950 1.286,951 5.79,952 4.094,953 4.344,954 4.663,955 3.786,956 6.737,957 4.262,958 5.992,959 1,960 7.44,961 2.983,962 4.29,963 4.59,964 2.87,965 8.072,966 4.147,967 7.331,968 0.524,969 9.205,970 2.136,971 6.125,972 6.663,973 5.633,974 11.235,975 5.931,976 8.699,977 -0.148,978 11.041,979 1.463,980 6.868,981 7.295,982 4.721,983 13.404,984 6.587,985 10.101,986 -0.412,987 12.922,988 -0.379,989 8.29,990 8.949,991 7.741,992 16.179,993 7.951,994 11.526,995 -0.637,996 14.837,997 -1.26,998 9.357,999 9.879,1000 6.439,1001 18.648,1002 8.923,1003 12.97,1004 -1,1005 16.777,1006 -1.826,1007 10.659,1008 11.374,1009 9.953,1010 21.315,1011 10.157,1012 3.648,1013 -1,1014 18.735,1015 -2,1016 11.855,1017 12.451,1018 8.147,1019 23.889,1020 11.258,1021 3.017,1022 14.063,1023 20.708,1024 -2.273,1025 13.13,1026 13.872,1027 12.21,1028 26.53,1029 12.456,1030 2.607,1031 11.021,1032 22.691,1033 3.771,1034 14.376,1035 15.03,1036 9.895,1037 29.142,1038 13.613,1039 2.243,1040 7.503,1041 24.684,1042 3.477,1043 15.65,1044 16.411,1045 14.486,1046 31.778,1047 14.806,1048 2.09,1049 7.16,1050 26.683,1051 3.208,1052 16.918,1053 17.62,1054 11.725,1055 34.406,1056 15.988,1057 1.474,1058 5.684,1059 28.687,1060 2.717,1061 18.197,1062 18.977,1063 16.772,1064 37.043,1065 17.184,1066 1.441,1067 4.487,1068 30.696,1069 2.58,1070 19.476,1071 20.221,1072 13.67,1073 39.678,1074 18.379,1075 5349,1076 9570,1077 15.72,1078 27.568,1079 39.432,1080 42.45,1081 40.748,1082 38.671,1083 38.66,1084 45.999,1085 20.96,1086 121.187,1087 37.199,1088 5.689,1089 6.952,1090 7.447,1091 5.704,1092 5.648,1093 6.771,1094 6.302,1095 22.063,1096 5.379,1097 14.23,1098 1.577,1099 1.698,1100 1.63,1101 1.547,1102 1.546,1103 1.84,1104 0.838,1105 4.847,1106 1.488,1107 4.012,1108 4.043,1109 4.145,1110 3.911,1111 7.474,1112 3.894,1113 3.904,1114 3.933,1115 3.846,1116 3.843,1117 7.432,1118 3.827,1119 3.596,1120 3.639,1121 3.539,1122 3.421,1123 7.423,1124 3.432,1125 3.385,1126 3.425,1127 3.312,1128 3.202,1129 6.351,1130 3.214,1131 3.277,1132 3.279,1133 3.299,1134 2.996,1135 4.747,1136 3.03,1137 2.874,1138 3.009,1139 2.838,1140 2.735,1141 4.372,1142 2.715,1143 2.854,1144 2.925,1145 2.734,1146 2.646,1147 4.044,1148 2.66,1149 2.854,1150 2.916,1151 2.687,1152 2.618,1153 3.76,1154 2.57,1155 0.188,1156 0.198,1157 0.306,1158 0.183,1159 0.146,1160 4.689,1161 0.151,1162 4.952,1163 0.126,1164 7.645,1165 0.563,1166 4.576,1167 0.135,1168 3.648,1169 3.771,1170 3.152,1171 14.063,1172 3.379,1173 1.919,1174 1.891,1175 2.045,1176 2.027,1177 1.223,1178 2.027,1179 1.768,1180 1.731,1181 1.904,1182 1.962,1183 1.186,1184 1.946,1185 1.678,1186 1.648,1187 1.811,1188 1.811,1189 1.142,1190 1.843,1191 1.357,1192 1.32,1193 1.55,1194 1.581,1195 0.704,1196 1.569,1197 1.108,1198 1.085,1199 1.417,1200 1.438,1201 0.469,1202 1.392,1203 0.934,1204 0.821,1205 1.32,1206 1.239,1207 0.457,1208 1.308,1209 0.886,1210 0.804,1211 1.181,1212 1.063,1213 0.218,1214 1.107,1215 0.778,1216 0.73,1217 1,1218 1.062,1219 0.079,1220 1.052,1221 3.932,1222 5.352,1223 2.398,1224 6.971,1225 5.043,1226 8.683,1227 7.413,1228 10.449,1229 3.621,1233 9.357,1234 0.202,1235 2.739,1237 1.424,1238 -1.801,1239 1.375,1240 -0.578,1243 26.304,1244 70.601,1245 147.632,1246 177.785,1247 189.395,1248 192.15,1249 192.15,1250 63.171,1251 6.925,1252 86.71,1253 112.01,1254 15,1255 12.786,1256 3.322,1257 2.807,1258 36.931,1259 78,1260 79,1261 0.237,1262 165.208,1263 297.21,1264 394.867,1265 8128,1267 16.776,1268 0.729,1269 0.594,1270 17.129,1271 13.67,1272 10.809,1273 0.432,1274 0.33,1275 7.349,1276 9.932,1277 7.041,1278 5.782,1279 11.19,1280 8.251,1281 10.807,1282 0.284,1283 0.213,1284 11.601,1285 8.077,1286 8.259,1287 0.162,1288 0.113,1289 9.045,1290 5.77,1291 7.528,1292 0.106,1293 0.066,1294 8.566,1295 4.702,1296 5.66,1297 0.067,1298 0.04,1299 6.661,1300 3.32,1301 0.368,1302 71.883,1303 0.252,1304 22.472,1305 0.661,1306 126,1307 400.195,1308 169.511,1309 398.855,1310 522.11,1311 368,1312 152,1313 348.832,1314 191.469,1315 363.537,1316 539.21,1317 341,1318 4.011}
{0 CHEMBL30,1 1.628,2 9,3 0.61,4 0.372,5 69.646,6 7.648,7 0.294,8 3.568,9 3.724,10 3.201,11 3.037,12 4.722,13 2.982,14 4.052,15 4.28,16 3.397,17 3.352,18 5.07,19 3.229,20 4.117,21 4.351,22 3.394,23 3.365,24 5.089,25 3.239,26 4.216,27 4.47,28 3.353,29 3.431,30 5.189,31 3.238,32 4.223,33 4.53,34 3.112,35 3.299,36 5.042,37 3.087,38 3.999,39 4.276,40 2.97,41 3.149,42 4.958,43 2.956,44 3.911,45 4.214,46 2.828,47 2.941,48 4.829,49 2.769,50 3.635,51 3.924,52 2.631,53 2.725,54 4.574,55 2.628,56 0.037,57 0.528,58 7.609,59 2.53,60 9.567,61 3.665,62 0.248,63 0.72,64 17.203,65 4.919,66 19.558,67 6.366,68 0.192,69 0.74,70 17.422,71 4.148,72 19.601,73 6.35,74 0.256,75 0.761,76 19.69,77 5.378,78 28.844,79 7.455,80 0.231,81 0.658,82 22.394,83 5.476,84 27.566,85 8.006,86 0.168,87 0.565,88 14.755,89 4.299,90 28.912,91 6.156,92 0.211,93 0.48,94 15.91,95 3.431,96 23.319,97 5.216,98 0.143,99 0.383,100 8.891,101 2.403,102 13.108,103 3.941,104 21,105 20,106 0.309,107 0.683,108 0.869,109 0.869,110 0.869,111 0.869,112 2.903,113 1.121,114 -2.05,115 -2.1,116 -2.09,117 30.3,118 1,122 1,123 3,137 1,143 1,147 1,148 1,149 1,164 1,167 4,168 1,181 3,187 1,188 1,191 1,196 1,203 1,208 1,220 1,228 1,231 1,233 1,243 1,244 1,251 1,252 1,255 1,257 1,264 325,265 11.621,266 11.621,267 11.621,268 11.621,269 11.621,270 10.292,271 12.682,272 7.358,273 12.253,274 8.287,275 8.287,276 8.287,277 8.287,278 8.287,279 6.571,280 10.416,281 3.319,282 9.191,283 3.416,284 1.448,285 0.47,286 0.47,287 0.47,288 0.47,289 3.536,292 1,293 1,294 301,295 3.464,297 56.919,303 1.412,304 11.171,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 1,315 37,316 153,317 4.187,318 4.253,319 6.034,320 3.768,321 2.817,322 3.814,323 3.272,324 8.586,325 2.676,326 3.846,327 3.92,328 5.299,329 3.368,330 2.467,331 3.074,332 1.374,333 6.788,334 2.222,335 3.38,336 3.024,337 4.171,338 2.581,339 1.732,340 1.899,341 1.107,342 3.891,343 1.457,344 2.839,345 2.941,346 3.669,347 2.276,348 1.348,349 1.801,350 0.268,351 3.099,352 1.244,353 2.568,354 2.352,355 3.417,356 2.048,357 1.135,358 1.589,360 2.419,361 1.034,362 2.525,363 1.42,364 3.163,365 1.997,366 1.094,367 1.51,369 1.906,370 0.985,371 1.907,372 1.289,373 2.955,374 1.582,375 0.74,376 0.829,378 1.431,379 0.615,380 1.542,381 1.108,382 2.483,383 1.143,384 0.251,385 0.28,387 0.366,388 0.222,389 1.096,390 0.943,391 1.932,392 0.723,393 -0.163,394 -0.191,396 -0.307,397 -0.141,398 0.671,399 0.152,400 1.642,401 0.333,402 -0.591,403 -0.704,405 -1.094,406 -0.543,407 0.412,408 -0.185,409 1.572,410 0.049,411 -0.845,412 -1.066,414 -1.557,415 -0.746,416 0.026,417 -0.622,418 1.333,419 -0.282,420 -1.204,421 -1.463,423 -2.677,424 -1.093,425 -0.142,426 -0.895,427 0.898,428 -0.657,429 -1.541,430 -1.828,432 -3.685,433 -1.347,434 -0.324,435 -1.101,436 0.511,437 -0.757,438 -1.694,439 -2.073,440 -0.524,441 -4.123,442 -1.55,443 -0.416,444 -1.441,445 0.472,446 -0.832,447 -1.732,448 -2.376,449 -0.937,450 -4.56,451 -1.618,452 8.233,453 0.484,454 0.226,455 0.013,456 19.75,457 1.162,458 8.5,459 0.5,460 11.25,461 0.662,462 13.185,463 0.776,464 19.367,465 0.587,466 10.598,467 0.623,468 3.728,469 0.219,470 4.546,471 0.267,472 0.17,474 0.182,476 1.091,477 1.642,478 0.819,479 1.082,480 0.546,481 1.055,482 0.813,483 0.945,484 1.288,485 1.215,486 0.475,487 1.015,488 1.233,489 1.276,490 1.175,491 1.206,492 0.813,493 1.119,494 1.093,495 0.992,496 1.263,497 1.186,498 0.66,499 1.208,500 0.762,501 0.94,502 1.084,503 1.115,504 0.778,505 0.92,506 0.913,507 0.979,508 1,509 1.028,510 1.636,511 1.123,512 1.071,513 0.95,514 1.156,515 1.061,516 1.053,517 0.912,518 0.766,519 0.814,520 0.546,521 0.649,522 0.648,523 0.822,524 2.5,525 0.057,526 1.556,527 0.819,528 0.365,529 0.191,530 0.096,531 0.103,532 0.117,533 0.089,534 2480,535 8234,536 1.901,537 48.5,539 9,541 1,542 3,543 3,547 1.559,548 1.789,549 3.161,550 1.366,552 1,554 1,555 53.736,556 1.628,557 3.597,558 4.574,559 4.574,560 4.574,561 4.574,562 2.514,563 3.735,564 4.063,565 3.345,566 454.901,567 6.819,568 4527.65,570 1,573 166.465,574 1.29,575 4.021,576 0.147,577 0.007,578 0.078,579 0.046,580 0.024,581 0.015,582 0.009,583 0.01,584 0.012,585 0.008,586 0.355,587 0.5,588 1,589 2.728,590 73.796,591 -0.151,592 -0.352,593 0.053,594 -0.037,595 0.081,596 -0.04,597 0.201,598 0.198,599 -0.095,600 -0.028,601 0.109,602 -0.001,603 -0.225,604 -0.181,605 -0.108,606 -0.13,607 -0.097,608 -0.134,609 -0.133,610 0.054,611 -0.151,612 -0.08,613 0.02,614 -0.212,615 0.039,616 -0.081,617 0.052,618 -0.012,619 0.018,620 0.109,621 -0.058,622 -0.042,623 -0.061,624 -0.053,625 -0.266,626 -0.133,627 -0.044,628 -0.066,629 -0.039,630 -0.043,631 -0.059,632 0.048,633 0.179,634 0.053,635 0.115,636 0.067,637 0.034,638 0.103,639 1.161,640 2.428,641 0.294,642 12.464,643 1.003,644 1.151,645 0.821,646 0.674,647 0.651,648 2.89,649 3.045,650 3.178,651 3.219,652 2.996,653 2.833,654 2.773,655 2.773,656 2.833,657 2.773,658 5.691,659 0.605,660 252.39,661 2.89,662 4.317,663 5.081,664 5.866,665 6.648,666 7.439,667 8.227,668 9.021,669 9.813,670 10.61,671 18.2,673 2,679 1,680 2,681 1,687 1,688 1,689 1,692 2,694 5,707 33,709 7,711 17,712 33,713 10,714 3,718 1,719 1,721 1,723 1,729 1,730 4,731 5,734 1,740 1,741 1,744 1,747 16,748 5,749 3,750 7,751 1,752 1,753 6,758 1,771 1,786 2,791 1,792 1,793 1,794 2,797 17,802 3,803 2,805 1,809 1,812 1,813 1,822 9.5,823 6.35,824 4.194,825 1.729,827 1.115,828 1.206,829 0.913,830 6.524,831 6.523,832 3.157,833 3.534,834 3.879,835 4.231,836 3.989,837 3.736,838 3.712,839 3.783,840 3.969,841 4.15,842 0.833,843 18,844 6.181,846 2.308,847 7.814,848 11.726,850 8.455,853 2.314,854 39.333,855 0.001,858 153.024,859 85.55,860 117.437,864 32.22,865 53.331,866 153.024,867 117.437,868 17.222,869 3.905,870 36.022,871 53.348,872 67.387,873 4.656,874 173.473,876 153.024,877 170.768,879 32.22,880 153.024,884 124.758,885 29.225,886 16.786,887 32.22,888 153.024,889 117.437,890 85.55,893 153.024,894 43.537,895 25.84,896 68.98,897 64.63,898 153.024,899 117.437,900 85.55,901 0.534,902 0.31,903 0.155,904 0.061,905 6,906 3,907 0.212,908 7,910 1,911 3.06,912 95.556,914 5,915 69.487,916 1,918 13.881,919 7.99,920 5.115,922 100.652,923 1.71,924 4.132,925 3.105,928 2.21,930 52.807,931 356.012,932 22.5,938 3.886,939 0.505,941 33.105,942 37.986,943 0.323,944 0.713,945 0.907,946 0.907,947 0.907,948 0.907,949 4.321,950 0.251,951 4.977,952 1.431,953 3.714,954 4.212,955 3.347,956 5.617,957 3.526,958 5.468,959 -0.163,960 6.435,961 0.366,962 2.944,963 3.689,964 0.623,965 6.26,966 2.783,967 6.719,968 -0.591,969 8,970 -0.307,971 5.13,972 6.194,973 5.477,974 9.259,975 4.793,976 8.008,977 -0.845,978 9.633,979 -1.094,980 5.303,981 6.667,982 1.178,983 10.812,984 5,985 9.328,986 -1.204,987 11.311,988 -1.557,989 6.834,990 8.496,991 7.812,992 13.25,993 6.387,994 10.67,995 -1.541,996 13.019,997 -2.677,998 7.452,999 9.429,1000 1.747,1001 15.146,1002 7.025,1003 12.028,1004 -1.694,1005 14.747,1006 -3.685,1007 8.697,1008 10.973,1009 10.178,1010 17.397,1011 8.158,1012 2.817,1013 -1.732,1014 16.491,1015 -4.123,1016 9.525,1017 12.119,1018 2.361,1019 19.432,1020 8.986,1021 2.467,1022 8.586,1023 18.244,1024 -4.56,1025 10.644,1026 13.541,1027 12.548,1028 21.615,1029 10.019,1030 1.732,1031 6.788,1032 20.006,1033 3.814,1034 11.573,1035 14.787,1036 3.009,1037 23.71,1038 10.93,1039 1.348,1040 3.891,1041 21.773,1042 3.074,1043 12.637,1044 16.157,1045 14.919,1046 25.87,1047 11.925,1048 1.135,1049 3.099,1050 23.545,1051 1.899,1052 13.614,1053 17.45,1054 3.678,1055 27.992,1056 12.872,1057 1.094,1058 2.419,1059 25.32,1060 1.801,1061 14.655,1062 18.799,1063 17.29,1064 30.143,1065 13.855,1066 0.74,1067 1.906,1068 27.098,1069 1.589,1070 15.656,1071 20.114,1072 4.356,1073 32.279,1074 14.819,1075 2654,1076 4908,1077 10.92,1078 21.489,1079 24.412,1080 27.933,1081 24.736,1082 23.127,1083 23.167,1084 29.591,1085 12.044,1086 56.974,1087 20.911,1088 5.117,1089 6.009,1090 5.827,1091 4.888,1092 4.801,1093 6.444,1094 6.545,1095 14.369,1096 4.427,1097 8.859,1098 1.436,1099 1.643,1100 1.455,1101 1.36,1102 1.363,1103 1.741,1104 0.708,1105 3.351,1106 1.23,1107 3.938,1108 3.998,1109 3.988,1110 3.782,1111 6.826,1112 3.785,1113 3.702,1114 3.787,1115 3.709,1116 3.486,1117 4.968,1118 3.487,1119 3.426,1120 3.497,1121 3.562,1122 3.281,1123 4.722,1124 3.251,1125 3.201,1126 3.298,1127 3.141,1128 2.936,1129 4.065,1130 2.964,1131 3.091,1132 3.201,1133 2.947,1134 2.892,1135 3.824,1136 2.852,1137 3.013,1138 3.098,1139 2.824,1140 2.812,1141 3.762,1142 2.788,1143 2.71,1144 2.822,1145 2.493,1146 2.452,1147 3.616,1148 2.448,1149 2.329,1150 2.461,1151 2.226,1152 2.08,1153 3.331,1154 2.03,1155 0.246,1156 0.25,1157 0.355,1158 0.222,1159 0.166,1160 4.187,1161 0.224,1162 4.253,1163 0.192,1164 6.034,1165 0.505,1166 3.768,1167 0.157,1168 2.817,1169 3.814,1170 3.272,1171 8.586,1172 2.676,1173 1.673,1174 1.628,1175 1.818,1176 1.878,1177 1.131,1178 1.872,1179 1.572,1180 1.498,1181 1.771,1182 1.795,1183 0.945,1184 1.795,1185 1.389,1186 1.314,1187 1.637,1188 1.652,1189 0.664,1190 1.646,1191 1.338,1192 1.25,1193 1.574,1194 1.592,1195 0.632,1196 1.613,1197 1.122,1198 1.029,1199 1.339,1200 1.427,1201 0.346,1202 1.418,1203 0.976,1204 0.884,1205 1.283,1206 1.223,1207 0.248,1208 1.278,1209 0.698,1210 0.596,1211 0.993,1212 1.007,1213 0.034,1214 1.024,1215 0.459,1216 0.354,1217 0.781,1218 0.778,1220 0.801,1221 3.555,1222 4.745,1223 2.398,1224 6.107,1225 4.595,1226 7.549,1227 6.529,1228 9.034,1229 3.622,1234 2.613,1235 5.5,1237 1.796,1241 8.428,1242 1.826,1243 19.95,1244 53.736,1245 118.691,1246 150.955,1247 150.955,1248 150.955,1249 150.955,1250 24.83,1251 5.407,1252 88.89,1253 114.19,1254 5,1255 11.21,1256 3,1257 2.7,1258 38.547,1259 59,1260 48,1261 0.32,1262 136.56,1263 229.61,1264 324.967,1265 1226,1267 12.51,1268 0.736,1269 0.633,1270 12.864,1271 10.765,1272 8.274,1273 0.487,1274 0.374,1275 5.2,1276 7.371,1277 4.883,1278 4.134,1279 8.774,1280 6.354,1281 6.369,1282 0.318,1283 0.218,1284 6.867,1285 4.36,1286 5.001,1287 0.217,1288 0.135,1289 5.538,1290 3.102,1291 3.628,1292 0.151,1293 0.086,1294 4.206,1295 2.071,1296 2.08,1297 0.109,1298 0.065,1299 2.621,1300 1.242,1301 0.522,1302 57.374,1303 0.303,1304 17.961,1305 0.817,1306 74,1307 246.794,1308 102.184,1309 263.176,1310 344.27,1311 246,1312 80,1313 224.921,1314 104.109,1315 238.755,1316 333.12,1317 220,1318 4.241}
{0 CHEMBL316157,1 1.817,2 11.357,3 1.25,4 1.562,5 108.003,6 9.055,7 0.355,8 3.957,9 4.046,10 3.759,11 3.581,12 5.129,13 3.534,14 4.465,15 4.591,16 4.126,17 3.973,18 5.697,19 3.889,20 4.693,21 4.854,22 4.118,23 4.057,24 5.829,25 3.955,26 4.775,27 4.961,28 4.212,29 4.016,30 5.951,31 3.954,32 4.777,33 4.931,34 4.252,35 3.964,36 6.298,37 3.915,38 4.693,39 4.88,40 4.02,41 3.946,42 5.93,43 3.839,44 4.565,45 4.721,46 4.079,47 3.876,48 5.871,49 3.789,50 4.502,51 4.684,52 3.83,53 3.698,54 5.95,55 3.611,56 0.115,57 0.688,58 7.475,59 4.438,60 15.019,61 4.623,62 0.393,63 1.161,64 19.241,65 8.024,66 43.006,67 8.352,68 0.536,69 1.371,70 26.266,71 10.235,72 57.926,73 10.894,74 0.534,75 1.43,76 30.681,77 10.767,78 67.147,79 11.582,80 1.007,81 1.337,82 28.766,83 10.398,84 164.052,85 10.204,86 0.718,87 1.295,88 31.751,89 10.703,90 87.023,91 10.68,92 0.501,93 1.144,94 27.13,95 9.498,96 61.692,97 8.881,98 0.613,99 1.007,100 22.789,101 8.497,102 107.488,103 8.934,104 18,105 44,106 0.309,107 0.688,108 0.846,109 0.889,110 0.889,111 0.889,112 3.375,113 1.038,114 -2.77,115 -2.78,116 -2.7,117 41.3,119 1,123 2,125 1,126 1,129 1,131 1,133 5,136 2,142 1,143 1,147 3,156 1,159 1,160 3,163 1,164 3,165 1,167 2,169 1,172 6,173 1,174 3,175 1,176 1,179 3,181 2,184 1,186 1,188 4,189 1,190 1,193 2,196 2,197 1,199 1,200 1,202 3,203 5,205 1,206 1,208 3,209 1,210 1,211 2,216 2,218 1,219 1,220 1,224 2,225 2,228 8,229 1,233 2,235 1,236 4,237 2,239 1,240 6,243 1,245 2,247 1,252 1,254 1,257 2,260 2,261 2,262 1,264 1252,265 18.913,266 18.913,267 18.913,268 18.913,269 18.913,270 16.852,271 20.707,272 11.207,273 19.496,274 15.329,275 15.329,276 15.329,277 15.329,278 15.329,279 12.199,280 24.77,281 5.345,282 16.28,283 3.707,284 1.486,285 0.557,286 0.304,287 0.304,288 0.304,289 4.066,292 1,293 1,294 691,295 3.606,296 54.663,297 84.762,298 175.468,300 111.534,303 2.026,304 39.456,307 1,308 1,309 1,310 0.8,311 0.5,312 0.83,313 1,314 0.88,315 61.5,316 318,317 4.612,318 4.611,319 7.226,320 4.384,321 3.441,322 3.944,323 3.435,324 12.764,325 3.243,326 4.113,327 3.809,328 6.387,329 3.798,330 2.821,331 3.513,332 2.013,333 9.655,334 2.752,335 3.967,336 3.636,337 5.513,338 3.561,339 2.618,340 3.456,341 1.956,342 7.443,343 2.474,344 3.853,345 3.566,346 5.433,347 3.405,348 2.466,349 3.267,350 1.437,351 7.128,352 2.309,353 3.501,354 3.043,355 5.088,356 3.076,357 2.108,358 2.706,359 0.926,360 5.829,361 2,362 3.252,363 2.654,364 4.983,365 2.905,366 1.95,367 2.352,368 0.564,369 5.36,370 1.853,371 2.895,372 2.629,373 4.765,374 2.515,375 1.585,376 2.012,377 0.328,378 4.592,379 1.436,380 2.831,381 2.408,382 4.608,383 2.398,384 1.425,385 1.816,386 0.086,387 4.094,388 1.371,389 2.589,390 1.907,391 3.61,392 2.278,393 1.327,394 1.613,396 3.022,397 1.25,398 2.5,399 1.619,400 3.584,401 2.075,402 1.114,403 1.5,405 2.503,406 1.052,407 2.432,408 1.385,409 3.369,410 1.984,411 1,412 1.385,414 2.136,415 0.983,416 2.118,417 1.331,418 3.247,419 1.665,420 0.731,421 0.927,423 1.833,424 0.656,425 2.05,426 1,427 3,428 1.463,429 0.618,430 0.872,432 1.372,433 0.507,434 1.329,435 0.68,436 2.989,437 1.075,438 0.143,439 0.16,441 0.386,442 0.131,443 0.972,444 0.618,445 2.795,446 0.669,447 -0.283,448 -0.32,450 -0.813,451 -0.265,452 13.7,453 0.489,454 0.716,455 0.026,456 33.5,457 1.196,458 15,459 0.536,460 18.5,461 0.661,462 25.533,463 0.912,464 29.8,465 0.648,466 24.869,467 0.888,468 6.365,469 0.227,470 7.177,471 0.256,472 0.097,474 0.35,476 0.743,477 1.185,478 0.697,479 0.837,480 0.597,481 0.824,482 0.588,483 1.194,484 1.093,485 1.119,486 0.466,487 1.015,488 0.834,489 1.096,490 1.119,491 1.115,492 0.876,493 1.122,494 1.004,495 1.081,496 0.865,497 1.049,498 1.019,499 0.947,500 1.232,501 1.036,502 0.869,503 0.939,504 1.37,505 0.958,506 1.246,507 0.848,508 1.206,509 0.951,510 1.264,511 0.911,512 1.309,513 0.976,514 1.004,515 1.02,516 1.287,517 0.996,518 1.147,519 0.97,520 0.914,521 0.91,522 1.129,523 0.955,524 5,525 0.104,526 2.444,527 2.91,528 1.831,529 1.264,530 0.695,531 0.613,532 0.265,533 0.197,534 10068,535 31574,536 2.094,537 39.1,539 10,540 2,541 2,542 2,543 2,547 1.711,548 1.953,549 3.449,550 0.318,551 1,552 1,555 83.56,556 1.817,557 4.037,558 4.967,559 5.219,560 5.219,561 5.219,562 2.985,563 4.138,564 4.772,565 3.642,566 1376.85,567 8.309,568 18112.8,570 1,573 254.084,574 1.432,575 4.736,576 0.161,577 0.006,578 0.058,579 0.071,580 0.043,581 0.03,582 0.019,583 0.018,584 0.009,585 0.01,586 0.425,587 0.33,588 1,589 0.744,590 140.663,591 -0.092,592 -0.096,593 0.045,594 0.065,595 -0.049,596 0.043,597 0.119,598 -0.071,599 -0.099,600 -0.083,601 0.114,602 -0.093,603 0.007,604 -0.059,605 -0.159,606 -0.132,607 -0.07,608 -0.171,609 -0.023,610 -0.094,611 0.092,612 -0.102,613 -0.052,614 0.022,615 0.163,616 -0.078,617 0.07,618 -0.017,619 0.112,620 -0.048,621 -0.125,622 0.156,623 -0.109,624 0.088,625 -0.116,626 0.071,627 -0.17,628 0.012,629 0.019,630 -0.008,631 -0.11,632 -0.044,633 0.049,634 -0.052,635 0.039,636 0.031,637 0.154,638 0.021,639 2.784,640 5.643,641 0.679,642 29.908,643 1.019,644 1.115,645 1.542,646 2.378,647 0.714,648 3.466,649 3.807,650 4.111,651 4.407,652 4.595,653 4.7,654 4.875,655 4.963,656 5.037,657 5.106,658 6.689,659 0.679,660 416.54,661 3.466,662 5.017,663 5.883,664 6.786,665 7.678,666 8.592,667 9.5,668 10.422,669 11.34,670 12.268,671 6.5,678 2,681 1,687 8,691 1,692 1,693 1,694 11,707 46,708 1,709 15,711 31,712 49,713 19,714 9,717 3,718 4,719 5,726 1,728 2,730 14,731 5,734 4,738 3,741 5,744 1,747 18,748 6,749 2,750 9,751 2,753 3,754 1,758 0.75,759 4,767 1,770 1,771 1,772 2,774 1,779 1,780 1,781 1,783 1,784 1,789 1,791 3,792 1,793 2,797 28,801 1,802 3,803 1,805 1,806 2,807 1,811 1,815 8.7,817 1,818 3,822 14.333,823 8.067,824 6.111,825 2.585,827 1.912,828 1.253,829 0.967,830 5.735,831 9.481,832 3.726,833 4.259,834 4.728,835 5.216,836 5.498,837 5.591,838 5.94,839 6.171,840 6.428,841 6.665,842 0.875,843 41,844 10.483,846 4.701,847 8.012,848 19.552,850 16.553,853 2.512,854 70.333,858 188.338,859 159.782,860 23.034,862 118.118,864 63.497,865 96.285,866 306.456,867 23.034,869 26.675,870 55.03,871 156.635,872 21.28,873 24.901,874 204.75,876 188.338,877 119.319,878 118.118,879 63.497,880 188.338,881 118.118,884 44.77,885 69.893,886 4.656,887 63.497,888 188.338,889 141.152,890 159.782,893 188.338,894 86.657,895 78.149,896 18.011,897 118.118,898 188.338,899 141.152,900 159.782,901 0.582,902 0.342,903 0.195,904 0.102,905 22,906 10,907 0.122,908 6,909 1,910 1.105,911 4.009,912 244.97,913 0.105,914 19,915 130.606,916 2,918 19.459,919 8.252,920 3.99,922 139.253,923 14.97,927 1.484,928 0.922,929 1.879,930 60.694,931 489.272,932 40.5,936 36.756,939 -0.999,941 46.894,942 51.287,943 0.329,944 0.731,945 0.899,946 0.945,947 0.945,948 0.945,949 4.982,950 1.425,951 5.878,952 4.592,953 4.489,954 4.945,955 3.797,956 6.732,957 4.377,958 6.172,959 1.327,960 7.458,961 4.094,962 4.111,963 4.663,964 2.221,965 7.732,966 3.975,967 7.479,968 1.114,969 9.144,970 3.022,971 6.125,972 7,973 5.802,974 10.947,975 5.91,976 8.818,977 1,978 10.898,979 2.503,980 6.621,981 7.534,982 3.875,983 12.878,984 6.368,985 10.192,986 0.731,987 12.699,988 2.136,989 8.101,990 9.328,991 8.145,992 15.627,993 7.783,994 11.591,995 0.618,996 14.534,997 1.833,998 8.999,999 10.235,1000 5.421,1001 17.932,1002 8.629,1003 13.009,1004 0.143,1005 16.397,1006 1.372,1007 10.29,1008 11.799,1009 10.578,1010 20.537,1011 9.86,1012 3.441,1013 -0.283,1014 18.281,1015 0.386,1016 11.369,1017 12.895,1018 7.02,1019 22.987,1020 10.881,1021 2.821,1022 12.764,1023 20.182,1024 -0.813,1025 12.6,1026 14.352,1027 13.035,1028 25.548,1029 12.052,1030 2.618,1031 9.655,1032 22.096,1033 3.944,1034 13.76,1035 15.551,1036 8.848,1037 28.054,1038 13.151,1039 2.466,1040 7.443,1041 24.022,1042 3.513,1043 14.978,1044 16.955,1045 15.5,1046 30.602,1047 14.308,1048 2.108,1049 7.128,1050 25.957,1051 3.456,1052 16.175,1053 18.214,1054 11.019,1055 33.131,1056 15.442,1057 1.95,1058 5.829,1059 27.899,1060 3.267,1061 17.395,1062 19.591,1063 17.966,1064 35.676,1065 16.6,1066 1.585,1067 5.36,1068 29.847,1069 2.706,1070 18.609,1071 20.887,1072 13.443,1073 38.214,1074 17.751,1075 9559,1076 17067,1077 20.69,1078 32.841,1079 47.505,1080 50.709,1081 48.121,1082 46.61,1083 46.694,1084 59.048,1085 21.487,1086 136.235,1087 44.034,1088 5.612,1089 6.611,1090 7.027,1091 5.543,1092 5.441,1093 6.944,1094 6.868,1095 20.764,1096 5.18,1097 13.265,1098 1.532,1099 1.636,1100 1.552,1101 1.504,1102 1.506,1103 1.905,1104 0.693,1105 4.395,1106 1.42,1107 4.029,1108 4.066,1109 4.222,1110 3.94,1111 7.475,1112 3.91,1113 3.9,1114 3.939,1115 4.107,1116 3.883,1117 7.432,1118 3.825,1119 3.855,1120 3.869,1121 3.848,1122 3.752,1123 7.423,1124 3.751,1125 3.563,1126 3.59,1127 3.53,1128 3.409,1129 6.351,1130 3.423,1131 3.345,1132 3.37,1133 3.41,1134 3.156,1135 4.806,1136 3.169,1137 3.218,1138 3.22,1139 3.279,1140 2.987,1141 4.662,1142 2.985,1143 2.994,1144 3.059,1145 3.028,1146 2.848,1147 4.37,1148 2.812,1149 2.854,1150 2.925,1151 2.687,1152 2.735,1153 4.015,1154 2.715,1155 0.149,1156 0.149,1157 0.233,1158 0.141,1159 0.111,1160 4.612,1161 0.127,1162 4.611,1163 0.111,1164 7.226,1165 0.412,1166 4.384,1167 0.105,1168 3.441,1169 3.944,1170 3.435,1171 12.764,1172 3.243,1173 1.937,1174 1.902,1175 2.041,1176 2.095,1177 1.323,1178 2.086,1179 1.829,1180 1.793,1181 1.907,1182 2,1183 1.114,1184 1.986,1185 1.632,1186 1.609,1187 1.764,1188 1.776,1189 0.992,1190 1.777,1191 1.47,1192 1.436,1193 1.638,1194 1.622,1195 0.877,1196 1.627,1197 1.401,1198 1.384,1199 1.514,1200 1.502,1201 0.65,1202 1.539,1203 1.062,1204 1.049,1205 1.264,1206 1.385,1207 0.519,1208 1.333,1209 1.01,1210 1.004,1211 1.181,1212 1.201,1213 0.254,1214 1.245,1215 0.947,1216 0.892,1217 1.169,1218 1.151,1219 0.218,1220 1.174,1221 4.143,1222 5.509,1223 2.398,1224 7.083,1225 4.443,1226 8.761,1227 6.26,1228 10.505,1233 9.71,1234 1.118,1235 2.763,1237 1.482,1238 -1.062,1239 1.311,1243 31.249,1244 83.56,1245 185.719,1246 228.474,1247 240.084,1248 240.084,1249 240.084,1250 65.539,1251 7.569,1252 90.59,1253 144.13,1254 21,1255 12.774,1256 4,1257 3.392,1258 42.41,1259 111,1260 108,1261 0.188,1262 197.198,1263 348.76,1264 472.924,1265 19230,1267 19.673,1268 0.703,1269 0.588,1270 20.38,1271 16.463,1272 13.542,1273 0.437,1274 0.346,1275 8.839,1276 12.079,1277 8.518,1278 6.965,1279 14.45,1280 10.728,1281 12.39,1282 0.282,1283 0.199,1284 13.524,1285 8.768,1286 10.202,1287 0.17,1288 0.116,1289 11.541,1290 6.958,1291 8.93,1292 0.11,1293 0.067,1294 10.467,1295 5.432,1296 6.895,1297 0.07,1298 0.038,1299 8.248,1300 3.76,1301 0.294,1302 94.163,1303 0.22,1304 26.838,1305 0.52,1306 150,1307 477.388,1308 211.194,1309 494.667,1310 654.08,1311 460,1312 179,1313 432.152,1314 234.051,1315 457.637,1316 676.16,1317 430,1318 5.609}
{0 CHEMBL324846,1 1.239,2 6.4,3 2.718,4 7.388,5 40.276,6 5.548,8 3.259,9 3.401,10 2.488,11 2.694,12 4.24,13 2.608,14 3.824,15 4.057,16 2.629,17 3,18 4.864,19 2.83,20 4.104,21 4.414,22 2.436,23 3.029,24 4.86,25 2.803,26 3.966,27 4.282,28 2.299,29 2.873,30 4.717,31 2.647,32 3.795,33 4.107,34 2.152,35 2.68,36 4.601,37 2.467,38 3.588,39 3.894,40 1.979,41 2.441,42 4.47,43 2.246,44 3.326,45 3.622,46 1.77,47 2.127,48 4.32,49 1.963,50 2.971,51 3.249,52 1.505,53 1.665,54 4.212,55 1.567,56 0.032,57 0.305,58 6.342,59 2.626,60 4.838,61 3.674,62 0.157,63 0.441,64 10.408,65 3.864,66 30.113,67 5.665,68 0.159,69 0.469,70 12.619,71 4.112,72 27.372,73 6.315,74 0.136,75 0.399,76 10.902,77 3.5,78 23.136,79 5.406,80 0.125,81 0.326,82 9.228,83 2.835,84 21.426,85 4.41,86 0.114,87 0.252,88 7.554,89 2.17,90 19.716,91 3.415,92 0.103,93 0.178,94 5.881,95 1.505,96 17.995,97 2.419,98 0.092,99 0.105,100 4.207,101 0.84,102 18.779,103 1.423,104 22,105 9,106 0.264,107 0.425,108 0.634,109 0.785,110 0.863,111 0.863,112 2.427,113 1.329,114 -4.2,115 -4.14,116 -3.92,117 30.8,118 1,119 6,147 1,156 1,159 1,160 6,161 1,164 1,167 1,169 1,172 5,173 1,176 1,181 1,184 4,185 1,188 1,193 1,196 3,197 1,203 1,208 1,211 2,212 1,216 1,221 1,224 1,225 1,228 1,233 1,237 1,240 1,245 1,264 76,265 6.527,266 6.527,267 6.527,268 6.527,269 6.527,270 6.32,271 3.142,272 4.534,273 6.532,274 4.432,275 4.432,276 4.432,277 4.432,278 4.432,279 4.111,280 1.893,281 2.168,282 4.437,283 3.462,284 2.7,285 1.72,286 1.01,287 0.644,288 0.644,289 2.979,293 1,294 111,295 3,303 1.2,304 10.904,307 1,308 0.83,309 0.83,310 0.8,311 1,312 1,313 1,314 0.92,315 22,316 64,317 3.55,318 3.596,319 4.659,320 3.241,321 2.236,322 2.71,323 2.341,324 5.184,325 2.223,326 2.796,327 1.829,328 3.746,329 2.769,330 1.768,331 1.794,333 3.46,334 1.766,335 2.275,336 1.382,337 3.124,338 2.227,339 1.226,340 1.256,342 2.233,343 1.223,344 1.569,345 0.826,346 2.363,347 1.509,348 0.506,349 0.52,351 0.84,352 0.505,353 0.821,354 0.401,355 1.662,356 0.73,357 -0.275,358 -0.281,360 -0.454,361 -0.273,362 0.425,363 -0.091,364 1,365 0.055,366 -1,367 -1,369 -1.868,370 -0.926,372 -0.764,373 1,374 -0.065,375 -1,376 -1.361,378 -2,379 -1.048,380 -0.546,381 -1.398,382 0.4,383 -0.568,384 -1.563,385 -1.676,386 -0.757,387 -3.234,388 -1.571,389 -0.889,390 -1.841,391 0.047,392 -0.899,393 -1.897,394 -1.962,395 -1.584,396 -4.16,397 -1.9,452 4.667,453 0.467,454 0.144,455 0.014,456 6.5,457 0.65,458 1.5,459 0.15,460 5,461 0.5,462 8.633,463 0.863,464 13.333,465 0.513,466 2.69,467 0.269,468 0.898,469 0.09,470 3.872,471 0.387,472 0.25,474 0.107,476 0.779,477 1.535,478 1.174,479 1.529,480 0.72,481 1.431,482 0.316,483 1.471,484 1.054,485 1.482,486 0.303,487 1.404,488 0.789,489 0.946,490 0.928,491 0.953,492 0.801,493 0.964,494 0.764,495 0.919,496 0.879,497 0.923,498 0.763,499 0.921,500 0.903,501 0.903,502 0.903,503 0.903,504 0.911,505 0.903,506 1.111,507 0.878,508 0.938,509 0.872,510 1.132,511 0.875,512 1.457,513 0.837,514 0.997,515 0.821,516 1.499,517 0.828,518 2.151,519 0.755,520 1.114,521 0.719,522 2.097,523 0.736,524 1.5,526 0.444,527 0.25,528 0.16,529 0.111,530 0.082,531 0.062,534 461,535 1164,536 1.692,537 61.5,538 13,542 1,543 2,547 1.373,548 1.579,549 2.772,550 -0.161,555 32.211,556 1.239,557 2,558 2.98,559 3.69,560 4.056,561 4.056,562 2.246,563 2.522,564 3.291,565 2.857,566 128.549,567 5.238,568 827.671,573 122.211,574 1.295,575 3.239,576 0.167,578 0.049,579 0.036,580 0.027,581 0.022,582 0.02,583 0.021,586 0.342,587 0.83,588 1,589 2.246,590 34.318,591 -0.061,592 -0.032,593 -0.071,594 -0.036,595 -0.038,596 -0.053,597 0.273,598 -0.261,599 -0.09,600 -0.27,601 0.278,602 -0.246,603 -0.041,604 -0.016,605 -0.029,606 -0.016,607 -0.046,608 -0.02,609 -0.023,610 -0.011,611 0.011,612 -0.006,613 -0.033,614 0.007,615 -0.043,616 -0.013,617 0.009,618 -0.008,619 -0.057,620 0.007,621 -0.073,622 -0.017,623 0.005,624 -0.01,625 -0.094,626 0.009,627 -0.123,628 -0.024,630 -0.014,631 -0.154,632 0.011,633 -0.223,634 -0.038,635 -0.012,636 -0.022,637 -0.134,638 0.015,639 2.337,640 3.032,642 5.92,643 0.989,644 1.144,645 2.972,646 8.833,647 0.577,648 2.303,649 2.303,650 2.079,651 1.946,652 1.792,653 1.609,654 1.386,655 1.099,658 4.077,659 0.525,660 144.24,661 2.303,662 3.611,663 4.234,664 4.92,665 5.565,666 6.256,667 6.909,668 7.601,669 8.258,670 8.951,707 26,709 1,711 9,712 25,713 8,723 1,728 6,730 1,731 7,734 1,738 1,741 1,747 16,748 2,749 1,750 2,759 2,781 1,789 1,794 1,797 10,801 1,802 6,815 7.7,817 1,818 1,822 6.333,823 4.617,824 2.583,825 1.967,827 0.149,828 1.037,829 0.808,830 6.507,831 4.174,832 2.398,833 2.485,834 2.197,835 2.079,836 1.946,837 1.792,838 1.609,839 1.386,842 1,843 7,844 3.699,845 0.02,846 1.334,847 8.067,848 7.167,849 0.007,850 5.152,851 -0.024,852 0.002,853 2.567,854 25.667,855 0.025,858 176.567,859 24.942,862 67.828,865 24.942,866 244.395,868 8.825,869 15.207,871 68.738,874 176.567,876 176.567,877 24.942,878 67.828,880 176.567,881 67.828,884 24.032,885 0.91,888 176.567,889 67.828,890 24.942,893 176.567,894 16.117,895 8.825,897 67.828,898 176.567,899 67.828,900 24.942,901 0.502,902 0.219,903 0.094,904 0.046,905 1,906 1,907 0.24,908 6,911 2.22,912 36.855,915 33.219,918 9.636,919 6.752,920 8.787,922 67.828,930 42.683,931 269.337,932 10,936 10.032,939 -0.67,941 25.723,942 29.74,943 0.264,944 0.425,945 0.634,946 0.785,947 0.863,948 0.863,949 3.434,950 -1.563,951 4.043,952 -2,953 2.944,954 3.135,955 2.258,956 4.394,957 2.94,958 4.419,959 -1.897,960 5.323,961 -3.234,962 1.946,963 2.565,964 2.243,965 4.29,966 1.911,967 5.541,969 6.691,970 -4.16,971 4.078,972 4.554,973 3.628,974 7.192,975 4.069,976 6.692,978 8.107,980 3.714,981 4.796,982 4.112,983 7.879,984 3.664,985 7.877,987 9.555,989 5.407,990 6.256,991 5.201,992 10.229,993 5.391,994 9.08,996 11.024,998 5.416,999 6.889,1000 5.889,1001 11.306,1002 5.358,1003 10.3,1005 12.509,1007 6.836,1008 8.107,1009 6.849,1010 13.376,1011 6.809,1012 2.236,1014 14.006,1016 7.086,1017 8.928,1018 7.625,1019 14.675,1020 7.02,1021 1.768,1022 5.184,1023 15.512,1025 8.323,1026 10.033,1027 8.526,1028 16.584,1029 8.284,1030 1.226,1031 3.46,1032 17.025,1033 2.71,1034 8.737,1035 10.943,1036 9.342,1037 18.014,1038 8.662,1039 0.506,1040 2.233,1041 18.544,1042 1.794,1043 9.848,1044 11.995,1045 10.216,1046 19.826,1047 9.795,1048 -0.275,1049 0.84,1050 20.067,1051 1.256,1052 10.375,1053 12.949,1054 11.051,1055 21.336,1056 10.292,1057 -1,1058 -0.454,1059 21.593,1060 0.52,1061 11.399,1062 13.973,1063 11.912,1064 23.087,1065 11.333,1066 -1,1067 -1.868,1068 23.121,1069 -0.281,1070 12.006,1071 14.948,1072 12.755,1073 24.647,1074 11.914,1075 576,1076 988,1077 5.257,1078 15,1079 11.491,1080 11.764,1081 11.782,1082 11.492,1083 11.471,1084 12.56,1085 4.682,1086 23.434,1087 11.435,1088 4.439,1089 5.437,1090 4.612,1091 4.14,1092 4.133,1093 4.672,1094 3.925,1095 9.344,1096 4.123,1097 5.94,1098 1.277,1099 1.307,1100 1.309,1101 1.277,1102 1.275,1103 1.396,1104 0.52,1105 2.604,1106 1.271,1107 3.789,1108 3.849,1109 3.638,1110 3.659,1111 7.474,1112 3.642,1113 3.584,1114 3.638,1115 3.437,1116 3.412,1117 6.351,1118 3.404,1119 3.293,1120 3.35,1121 3.111,1122 3.068,1123 4.204,1124 3.068,1125 2.931,1126 3.008,1127 2.679,1128 2.652,1129 3.947,1130 2.652,1131 2.558,1132 2.672,1133 2.212,1134 2.235,1135 3.528,1136 2.219,1137 2.239,1138 2.389,1139 1.837,1140 1.873,1141 3.03,1142 1.834,1143 2.033,1144 2.185,1145 1.72,1146 1.607,1147 2.567,1148 1.551,1149 1.931,1150 2.06,1151 1.436,1152 1.447,1153 2.228,1154 1.397,1155 0.394,1156 0.4,1157 0.518,1158 0.36,1159 0.248,1160 3.55,1161 0.301,1162 3.596,1163 0.26,1164 4.659,1165 0.576,1166 3.241,1167 0.247,1168 2.236,1169 2.71,1170 2.341,1171 5.184,1172 2.223,1173 1.787,1174 1.728,1175 2.04,1176 1.951,1177 1.381,1178 1.983,1179 1.575,1180 1.515,1181 1.855,1182 1.78,1183 1.126,1184 1.804,1185 1.257,1186 1.194,1187 1.576,1188 1.522,1189 0.78,1190 1.535,1191 0.889,1192 0.814,1193 1.263,1194 1.22,1195 0.427,1196 1.232,1197 0.54,1198 0.436,1199 0.987,1200 0.925,1201 0.124,1202 0.958,1203 0.26,1204 0.117,1205 0.798,1206 0.679,1208 0.741,1209 0.06,1211 0.688,1212 0.499,1214 0.577,1217 0.613,1218 0.385,1220 0.471,1221 2.944,1222 4.007,1224 5.198,1226 6.447,1228 7.727,1229 2.15,1233 8.27,1234 5.885,1243 13.644,1244 32.211,1245 51.998,1246 77.482,1247 95.947,1248 105.457,1249 105.457,1250 24.271,1251 4.025,1252 37.3,1253 37.3,1255 9.656,1256 1,1257 1,1258 27.515,1259 24,1260 20,1261 0.586,1262 92.574,1263 161.9,1264 217.641,1265 158,1267 7.82,1268 0.782,1269 0.66,1270 7.82,1271 6.598,1272 4.77,1273 0.53,1274 0.443,1275 3.959,1276 4.621,1277 3.845,1278 3.306,1279 4.77,1280 3.988,1281 3.597,1282 0.4,1283 0.284,1284 3.597,1285 2.558,1286 1.885,1287 0.269,1288 0.213,1289 1.885,1290 1.494,1291 1.156,1292 0.193,1293 0.147,1294 1.156,1295 0.88,1296 0.693,1297 0.139,1298 0.099,1299 0.693,1300 0.497,1301 0.941,1302 29.775,1303 0.436,1304 10.882,1305 1.489,1306 36,1307 121.885,1308 40.428,1309 113.097,1310 134.74,1311 102,1312 34,1313 80.667,1314 36.658,1315 79.626,1316 108.12,1317 74,1318 5.066}
{0 CHEMBL34259,1 1.779,2 14.697,3 0.384,4 0.147,5 115.875,6 8.264,7 0.486,8 4.129,9 4.252,10 3.741,11 3.552,12 5.436,13 3.591,14 4.604,15 4.769,16 4.115,17 3.915,18 6.017,19 3.931,20 4.866,21 5.051,22 4.182,23 4.069,24 6.157,25 4.065,26 4.964,27 5.17,28 4.129,29 4.083,30 6.238,31 4.056,32 4.961,33 5.173,34 4.087,35 4.047,36 6.34,37 4.011,38 4.882,39 5.104,40 4.023,41 3.967,42 6.338,43 3.926,44 4.744,45 4.943,46 3.922,47 3.875,48 6.141,49 3.844,50 4.687,51 4.908,52 3.76,53 3.767,54 5.947,55 3.735,56 0.265,57 0.868,58 9.752,59 3.866,60 38.452,61 4.934,62 0.64,63 1.288,64 17.974,65 6.489,66 92.407,67 8.866,68 0.861,69 1.517,70 25.487,71 8.079,72 111.973,73 10.957,74 0.992,75 1.524,76 30.516,77 9.339,78 140.439,79 12.694,80 1.125,81 1.449,82 31.389,83 9.196,84 175.502,85 13.019,86 1.17,87 1.321,88 29.753,89 8.807,90 175.427,91 12.489,92 0.838,93 1.193,94 24.573,95 7.811,96 130.855,97 10.817,98 0.786,99 1.115,100 23.94,101 6.377,102 106.055,103 9.05,104 74,105 49,106 0.292,107 0.694,108 0.838,109 0.874,110 0.88,111 0.88,112 3.531,113 0.836,114 -2.54,115 -2.57,116 -2.5,117 36.4,119 2,122 1,123 1,125 1,133 4,134 1,135 1,136 1,137 2,138 1,140 1,141 1,147 3,152 2,153 2,154 2,156 2,159 2,160 5,161 1,163 2,164 4,166 3,167 6,169 3,170 1,172 4,173 2,175 4,176 6,178 1,179 2,180 1,181 5,184 2,185 1,187 2,188 5,189 1,190 3,191 3,192 1,193 3,194 1,195 2,196 1,197 1,198 1,201 1,202 1,203 4,204 2,205 1,206 3,207 1,208 1,209 2,211 3,212 2,215 4,216 6,217 1,218 1,219 4,220 1,221 2,224 4,225 3,227 1,228 6,231 1,233 3,236 2,237 2,240 8,241 1,242 1,243 1,245 4,248 2,249 2,251 2,252 7,255 2,257 4,262 2,264 1988,265 21.378,266 21.378,267 21.378,268 21.378,269 21.378,270 18.861,271 26.293,272 12.441,273 21.807,274 17.228,275 17.228,276 17.228,277 17.228,278 17.228,279 13.344,280 32.22,281 5.908,282 17.937,283 4.003,284 1.549,285 0.668,286 0.45,287 0.414,288 0.414,289 4.207,292 1,294 1009,295 4.743,298 334.355,302 179.493,303 2.391,304 54.313,307 0.5,308 0.5,309 0.5,310 0.6,312 0.5,313 0.5,314 0.44,315 75,316 485,317 4.542,318 3.777,319 6.503,320 4.026,321 3.084,322 4.491,323 2.375,324 10.18,325 2.907,326 4.234,327 3.592,328 6.142,329 3.905,330 2.92,331 3.798,332 2.341,333 8.974,334 2.876,335 3.974,336 3.521,337 6.022,338 3.734,339 2.775,340 3.289,341 1.061,342 8.589,343 2.66,344 3.825,345 3.176,346 5.812,347 3.553,348 2.564,349 3.164,350 0.916,351 7.824,352 2.512,353 3.705,354 3.038,355 5.296,356 3.277,357 2.329,358 2.989,359 0.172,360 6.8,361 2.21,362 3.524,363 2.529,364 5.062,365 3.177,366 2.172,367 2.811,368 0.14,369 5.804,370 2.154,371 3.428,372 2.197,373 4.973,374 2.964,375 2.036,376 2.694,378 5.76,379 1.882,380 3.369,381 2.149,382 4.645,383 2.881,384 1.956,385 2.685,387 5.121,388 1.804,389 2.966,390 2.064,391 4.315,392 2.555,393 1.573,394 2.034,396 4.051,397 1.53,398 2.534,399 1.979,400 3.981,401 2.227,402 1.244,403 1.5,405 3.155,406 1.204,407 2.5,408 1.359,409 3.709,410 2.017,411 1.026,412 1.488,414 2.565,415 1.007,416 2.454,417 1.104,418 3.601,419 2,420 1,421 1.423,423 2.524,424 1,425 2.374,426 1.058,427 3.414,428 1.912,429 1,430 1.279,432 2.275,433 0.911,434 1.571,435 1,436 2.927,437 1.342,438 0.342,439 0.386,441 0.776,442 0.336,443 1.497,444 0.548,445 2.793,446 1.093,447 0.169,448 0.213,450 0.424,451 0.156,452 14.867,453 0.451,454 1.038,455 0.031,456 44.5,457 1.348,458 22,459 0.667,460 22.5,461 0.682,462 25.728,463 0.78,464 36.733,465 0.668,466 39.248,467 1.189,468 9.104,469 0.276,470 6.53,471 0.198,472 0.2,474 0.397,476 0.931,477 1.473,478 0.769,479 1.079,480 0.821,481 0.895,482 0.523,483 1.162,484 0.701,485 1.038,486 0.417,487 0.93,488 0.962,489 1.102,490 1.017,491 1.061,492 0.943,493 1.056,494 1.065,495 0.999,496 1.076,497 1.074,498 1.065,499 1.086,500 0.946,501 1.03,502 1.041,503 1.066,504 0.971,505 1.08,506 0.729,507 0.772,508 0.942,509 0.939,510 0.725,511 0.984,512 0.928,513 1.159,514 0.976,515 1.155,516 0.867,517 1.1,518 1.215,519 0.977,520 1.19,521 0.971,522 1.152,523 1.045,524 8.5,525 0.214,526 4.222,527 2.313,528 2.28,529 1.208,530 0.75,531 0.523,532 0.455,533 0.242,534 16151,535 59806,536 1.959,537 40,539 10,541 1,542 7,543 2,544 2,547 1.748,548 1.784,549 3.801,550 4.132,552 1,555 97.819,556 1.779,557 4.232,558 5.113,559 5.331,560 5.368,561 5.368,562 3.248,563 4.597,564 5.015,565 4.012,566 2118.48,567 8.756,568 33553.1,570 1,573 317.975,574 1.556,575 4.943,576 0.243,577 0.008,578 0.086,579 0.045,580 0.049,581 0.027,582 0.018,583 0.014,584 0.014,585 0.008,586 0.513,587 0.17,588 0.88,589 1.658,590 179.117,591 -0.201,592 -0.185,593 -0.024,594 0.027,595 -0.16,596 0.054,597 0.212,598 0.026,599 0.128,600 0.015,601 0.222,602 0.041,603 -0.092,604 -0.002,605 -0.122,606 -0.051,607 -0.116,608 -0.095,609 -0.136,610 0.005,611 -0.119,612 -0.066,613 -0.14,614 -0.092,615 0.004,616 -0.067,617 -0.059,618 -0.057,619 0.006,620 -0.07,621 0.205,622 0.18,623 0.055,624 0.064,625 0.203,626 0.034,627 0.006,628 -0.189,629 -0.014,630 -0.101,631 0.082,632 -0.068,633 -0.269,634 0.006,635 -0.209,636 -0.003,637 -0.202,638 -0.066,639 2.967,640 5.37,641 0.485,642 40.567,643 1.03,644 1.144,645 1.311,646 1.719,647 0.648,648 3.584,649 3.912,650 4.111,651 4.317,652 4.543,653 4.595,654 4.654,655 4.682,656 4.844,657 4.796,658 8.553,659 0.644,660 454.5,661 3.584,662 5.13,663 5.958,664 6.828,665 7.676,666 8.547,667 9.404,668 10.276,669 11.138,670 12.01,671 14.5,675 2,677 1,678 1,681 4,686 2,687 5,688 4,692 5,694 17,697 1,700 2,703 1,707 55,709 20,710 1,711 35,712 57,713 20,714 12,715 2,716 4,717 1,718 3,719 4,728 3,730 15,731 5,734 3,738 3,741 3,744 1,747 22,748 13,749 7,750 13,753 8,758 0.667,759 5,766 1,768 1,772 3,776 1,781 2,789 2,791 2,794 1,797 33,798 2,801 2,802 3,803 1,806 1,807 1,815 9.1,817 2,818 3,822 18.5,823 9.817,824 7.222,825 2.881,827 3.471,828 1.454,829 0.926,830 7.582,831 11.124,832 3.861,833 4.454,834 4.968,835 5.518,836 6.096,837 6.364,838 6.696,839 6.971,840 7.398,841 7.44,842 0.9,843 51,844 12.208,846 5.29,847 8.288,848 21.903,850 17.335,853 2.788,854 92,858 176.567,859 85.833,860 154.072,862 160.801,865 85.833,866 337.368,867 154.072,868 8.396,869 25.186,870 103.699,871 246.239,872 24.73,873 4.227,874 164.795,876 176.567,877 239.905,878 160.801,880 154.74,881 184.344,884 41.033,885 130.015,886 67.142,888 176.567,889 314.873,890 85.833,893 176.567,894 30.485,895 58.473,896 18.011,897 293.738,898 176.567,899 314.873,900 85.833,901 0.589,902 0.327,903 0.164,904 0.093,905 21,906 12,907 0.158,908 9,909 1,910 1.125,911 4.341,912 285.813,913 0.125,914 16,915 162.465,918 24.104,919 10.381,920 6.248,921 0.641,922 314.873,923 8.009,924 16.522,928 1.75,930 169.172,931 577.273,932 46.5,936 34.311,939 -3.054,941 56.636,942 62.94,943 0.308,944 0.732,945 0.884,946 0.922,947 0.928,948 0.928,949 5.101,950 1.956,951 5.964,952 5.76,953 4.595,954 5.142,955 3.11,956 6.751,957 4.516,958 6.321,959 1.573,960 7.52,961 5.121,962 4.29,963 5.056,964 2.903,965 7.612,966 4.175,967 7.631,968 1.244,969 9.17,970 4.051,971 6.18,972 7.331,973 4.388,974 10.653,975 6.023,976 8.97,977 1.026,978 10.872,979 3.155,980 6.608,981 8.002,982 4.832,983 12.282,984 6.417,985 10.336,986 1,987 12.607,988 2.565,989 8.023,990 9.827,991 5.948,992 14.854,993 7.791,994 11.72,995 1,996 14.363,997 2.524,998 8.788,999 10.878,1000 6.632,1001 16.825,1002 8.518,1003 13.12,1004 0.342,1005 16.136,1006 2.275,1007 10.011,1008 12.515,1009 7.604,1010 19.22,1011 9.7,1012 3.084,1013 0.169,1014 17.921,1015 0.776,1016 10.941,1017 13.776,1018 8.385,1019 21.354,1020 10.589,1021 2.92,1022 10.18,1023 19.716,1024 0.424,1025 12.083,1026 15.328,1027 9.295,1028 23.68,1029 11.69,1030 2.775,1031 8.974,1032 21.519,1033 4.491,1034 13.096,1035 16.703,1036 10.118,1037 25.894,1038 12.659,1039 2.564,1040 8.589,1041 23.329,1042 3.798,1043 14.207,1044 18.219,1045 11,1046 28.197,1047 13.725,1048 2.329,1049 7.824,1050 25.144,1051 3.289,1052 15.261,1053 19.653,1054 11.843,1055 30.452,1056 14.734,1057 2.172,1058 6.8,1059 26.964,1060 3.164,1061 16.36,1062 21.155,1063 12.712,1064 32.749,1065 15.788,1066 2.036,1067 5.804,1068 28.789,1069 2.989,1070 17.437,1071 22.62,1072 13.563,1073 35.027,1074 16.817,1075 15960,1076 30832,1077 22.194,1078 35.648,1079 53.136,1080 54.507,1081 54.403,1082 52.44,1083 52.379,1084 68.488,1085 14.012,1086 149.643,1087 50.302,1088 5.453,1089 5.777,1090 5.917,1091 5.108,1092 5.084,1093 7.491,1094 3.989,1095 17.074,1096 4.907,1097 22.375,1098 1.518,1099 1.557,1100 1.554,1101 1.498,1102 1.497,1103 1.957,1104 0.4,1105 4.276,1106 1.437,1107 4.044,1108 4.094,1109 4.022,1110 3.9,1111 7.477,1112 3.917,1113 3.939,1114 3.972,1115 3.893,1116 3.82,1117 7.471,1118 3.841,1119 3.762,1120 3.801,1121 3.676,1122 3.588,1123 7.428,1124 3.6,1125 3.563,1126 3.625,1127 3.489,1128 3.368,1129 6.352,1130 3.389,1131 3.451,1132 3.472,1133 3.392,1134 3.183,1135 6.35,1136 3.228,1137 3.319,1138 3.382,1139 3.249,1140 3.066,1141 5.342,1142 3.101,1143 3.131,1144 3.22,1145 3.027,1146 2.85,1147 4.989,1148 2.883,1149 3.1,1150 3.154,1151 2.992,1152 2.779,1153 4.867,1154 2.821,1155 0.13,1156 0.108,1157 0.186,1158 0.115,1159 0.088,1160 4.542,1161 0.128,1162 3.777,1163 0.068,1164 6.503,1165 0.291,1166 4.026,1167 0.083,1168 3.084,1169 4.491,1170 2.375,1171 10.18,1172 2.907,1173 1.942,1174 1.908,1175 2.033,1176 2.116,1177 1.222,1178 2.082,1179 1.891,1180 1.854,1181 1.945,1182 2.023,1183 1.148,1184 2.014,1185 1.703,1186 1.662,1187 1.896,1188 1.905,1189 0.993,1190 1.9,1191 1.497,1192 1.436,1193 1.692,1194 1.726,1195 0.779,1196 1.718,1197 1.311,1198 1.285,1199 1.494,1200 1.611,1201 0.582,1202 1.563,1203 1.226,1204 1.16,1205 1.465,1206 1.516,1207 0.543,1208 1.506,1209 0.992,1210 0.963,1211 1.269,1212 1.377,1213 0.218,1214 1.357,1215 0.982,1216 0.875,1217 1.204,1218 1.316,1219 0.201,1220 1.256,1221 4.263,1222 5.587,1224 7.089,1226 8.676,1228 10.31,1229 1.816,1232 11.411,1233 17.913,1234 -0.218,1235 2.337,1238 -1.297,1239 1.86,1243 35.433,1244 97.819,1245 232.781,1246 281.22,1247 293.22,1248 295.22,1249 295.22,1250 94.24,1251 7.653,1252 210.54,1253 210.54,1254 18,1255 12.553,1256 4.392,1257 3.644,1258 64.688,1259 172,1260 152,1261 0.182,1262 222.571,1263 387.69,1264 534.834,1265 23794,1267 24.121,1268 0.731,1269 0.533,1270 24.121,1271 17.595,1272 15.634,1273 0.447,1274 0.279,1275 9.547,1276 14.786,1277 9.37,1278 7.758,1279 15.634,1280 9.75,1281 14.733,1282 0.301,1283 0.147,1284 14.733,1285 7.2,1286 11.23,1287 0.187,1288 0.079,1289 11.23,1290 4.721,1291 8.927,1292 0.121,1293 0.041,1294 8.927,1295 3.027,1296 7.114,1297 0.076,1298 0.021,1299 7.114,1300 1.917,1301 0.297,1302 100.014,1303 0.212,1304 31.328,1305 0.473,1306 168,1307 618.689,1308 193.419,1309 591.923,1310 776.75,1311 544,1312 193,1313 552.012,1314 216.071,1315 554.438,1316 801.74,1317 518,1318 4.82}
{0 CHEMBL461,1 1.65,2 6.308,3 0.708,4 0.501,5 45.77,6 8.145,7 0.462,8 3.188,9 3.284,10 2.781,11 2.687,12 4.518,13 2.701,14 3.606,15 3.736,16 3.05,17 2.967,18 5.108,19 2.951,20 3.833,21 4.014,22 2.975,23 2.974,24 5.205,25 2.932,26 3.699,27 3.894,28 2.768,29 2.73,30 5.071,31 2.717,32 3.472,33 3.644,34 2.709,35 2.546,36 5.235,37 2.54,38 3.319,39 3.531,40 2.355,41 2.405,42 4.636,43 2.35,44 3.15,45 3.347,46 2.128,47 2.067,48 4.607,49 2.055,50 2.71,51 2.929,52 1.48,53 1.464,54 4.138,55 1.447,56 0.093,57 0.293,58 3.791,59 1.905,60 15.822,61 2.148,62 0.235,63 0.425,64 6.426,65 2.856,66 37.812,67 3.531,68 0.358,69 0.466,70 10.008,71 3.464,72 56.442,73 4.369,74 0.313,75 0.39,76 9.203,77 2.691,78 56.231,79 3.345,80 0.347,81 0.305,82 7.092,83 2.224,84 70.672,85 2.841,86 0.168,87 0.258,88 6.249,89 2.151,90 28.109,91 2.8,92 0.192,93 0.189,94 5.603,95 1.655,96 33.514,97 2.008,98 0.157,99 0.105,100 3.96,101 0.944,102 28.609,103 1.148,104 14,105 16,106 0.347,107 0.678,108 0.743,109 0.816,110 0.842,111 0.842,112 2.663,113 0.865,114 -2.26,115 -2.3,116 -2.26,117 40.9,123 1,133 5,134 1,147 2,156 1,159 1,160 6,164 1,167 2,169 1,170 1,172 6,176 2,179 1,180 1,181 2,184 3,188 2,189 1,193 2,197 1,202 1,203 2,206 1,208 2,212 2,216 2,221 2,225 2,228 2,233 2,237 1,240 1,245 1,264 158,265 8.466,266 8.466,267 8.466,268 8.466,269 8.466,270 7.416,271 5.637,272 5.305,273 8.503,274 6.411,275 6.411,276 6.411,277 6.411,278 6.411,279 4.84,280 4.503,281 2.538,282 6.445,283 2.81,284 1.237,285 0.926,286 0.58,287 0.455,288 0.455,289 3.272,292 1,293 1,294 159,295 2.915,298 45.198,303 1.101,304 19.179,307 1,308 0.83,309 0.83,310 0.6,312 1,313 1,314 0.75,315 29.5,316 82,317 4.143,318 3.642,319 6.019,320 3.795,321 2.788,322 3.671,323 2.375,324 8.542,325 2.799,326 3.549,327 3.512,328 4.683,329 3.201,330 2.206,331 2.734,332 1.061,333 5.225,334 2.168,335 3.255,336 2.186,337 4.22,338 2.785,339 1.776,340 2.5,341 0.14,342 4.048,343 1.782,344 2.595,345 1.438,346 3.461,347 2.131,348 1.14,349 1.581,351 2.609,352 1.123,353 2.5,354 1.323,355 3.247,356 2,357 1,358 1.5,360 2.136,361 1,362 1.702,363 1,364 2.662,365 1.353,366 0.352,367 0.43,369 0.744,370 0.345,371 0.751,372 0.532,373 1.893,374 0.281,375 -0.742,376 -0.975,378 -1.603,379 -0.747,380 0.54,381 -0.052,382 1.555,383 0.084,384 -1,385 -1.208,387 -2,388 -0.922,389 0.5,390 -0.603,391 1.391,393 -1,394 -1.5,396 -2.347,397 -1,398 0.197,399 -1,400 1,401 -0.073,402 -1,403 -1.519,405 -2.506,406 -1.077,407 -0.383,408 -1.121,409 1,410 -0.603,411 -1.615,412 -2,413 -0.861,414 -4.154,415 -1.642,416 -0.5,417 -1.716,418 0.671,419 -0.955,420 -1.904,421 -2.214,422 -1.101,423 -4.789,424 -1.829,425 -0.85,426 -2,427 0.198,428 -1,429 -2,430 -3,431 -1.614,432 -5.905,433 -2,452 5.9,453 0.454,454 0.302,455 0.023,456 16.75,457 1.288,458 9,459 0.692,460 7.75,461 0.596,462 6.27,463 0.482,464 14.5,465 0.659,466 10.745,467 0.827,468 3.776,469 0.29,470 2.422,471 0.186,472 0.169,474 0.254,476 0.785,477 1.159,478 0.762,479 1.002,480 0.701,481 0.89,482 0.469,483 1.191,484 0.841,485 1.169,486 0.483,487 1.123,488 0.934,489 1.019,490 1.043,491 1.017,492 1.038,493 1.068,494 1.307,495 0.999,496 1.144,497 0.941,498 1.31,499 0.97,500 0.778,501 0.954,502 0.914,503 0.968,504 0.762,505 0.97,506 0.905,507 0.988,508 0.941,509 1.101,510 0.879,511 1.046,512 1.453,513 0.951,514 1.114,515 1.042,516 1.393,517 0.999,518 1.837,519 0.699,520 1.287,521 0.763,522 1.779,523 0.851,524 2.5,526 1.333,527 0.563,528 0.351,529 0.264,530 0.142,531 0.066,532 0.041,534 995,535 4144,536 1.872,537 40.9,539 7,542 2,547 1.48,548 1.733,549 2.734,550 0.605,554 1,555 36.294,556 1.65,557 3.222,558 3.534,559 3.88,560 4.005,561 4.005,562 2.237,563 2.815,564 3.672,565 2.825,566 220.319,567 6.063,568 1661.37,570 1,573 98.107,574 1.457,575 3.613,576 0.192,578 0.083,579 0.04,580 0.032,581 0.026,582 0.02,583 0.013,584 0.02,586 0.428,587 0.67,588 1,589 1.911,590 48.38,591 -0.129,592 0.014,593 -0.043,594 0.066,595 -0.114,596 0.048,597 0.224,598 -0.074,599 -0.054,600 -0.152,601 0.163,602 -0.183,603 -0.024,604 -0.058,605 -0.105,606 -0.058,607 -0.119,608 -0.111,609 -0.271,610 -0.055,611 -0.148,612 -0.04,613 -0.234,614 -0.046,615 0.296,616 -0.013,617 0.075,618 -0.043,619 0.36,620 -0.042,621 -0.06,622 -0.102,623 0.044,624 -0.134,625 -0.019,626 -0.032,627 -0.238,628 -0.159,629 -0.034,630 -0.125,631 -0.19,632 -0.038,633 -0.39,634 0.008,635 -0.089,636 0.09,637 -0.346,638 0.091,639 2.718,640 4.175,641 0.462,642 7.089,643 1.028,644 1.127,645 1.027,646 1.055,647 0.655,648 2.639,649 2.833,650 2.89,651 2.944,652 3.045,653 2.708,654 2.565,655 2.197,656 1.946,657 1.609,658 4.01,659 0.649,660 179.19,661 2.639,662 4.078,663 4.828,664 5.624,665 6.402,666 7.201,667 7.99,668 8.79,669 9.584,670 10.386,671 4.5,678 1,687 5,692 1,694 6,697 1,707 22,709 8,710 1,711 13,712 22,713 9,714 6,715 1,716 5,717 1,718 1,719 1,730 8,731 1,734 2,738 2,741 2,747 9,748 4,749 2,750 4,753 1,758 1,759 3,772 1,781 1,789 1,791 1,797 13,801 1,802 1,803 1,815 13.6,817 1,818 2,822 7.5,823 3.7,824 3.028,825 1.119,827 1.32,828 1.266,829 0.877,830 3.318,831 6.276,832 2.944,833 3.384,834 3.732,835 4.105,836 4.537,837 4.202,838 4.343,839 3.841,840 3.841,841 3.841,842 1,843 14,844 4.757,845 -0.003,846 1.924,847 8.5,848 8.472,849 -0.001,850 6.236,851 -0.002,853 3,854 39,855 0.002,858 82.398,859 58.287,860 18.011,862 92.973,865 58.287,866 175.371,867 18.011,869 20.116,870 47.381,871 98.588,872 3.186,874 82.398,876 82.398,877 76.298,878 92.973,880 82.398,881 92.973,884 20.116,885 56.181,888 82.398,889 110.984,890 58.287,893 82.398,894 10.906,895 47.381,896 18.011,897 92.973,898 82.398,899 110.984,900 58.287,901 0.555,902 0.285,903 0.135,904 0.078,905 6,906 3,907 0.136,908 3,910 1,911 2.522,912 67.797,914 6,915 44.106,918 9.581,919 4.502,920 3.154,922 110.984,923 8.466,928 0.462,930 60.694,931 251.669,932 18,936 21.295,939 -1.424,941 22.618,942 24.787,943 0.37,944 0.723,945 0.792,946 0.87,947 0.898,948 0.898,949 4.086,950 -1,951 4.762,952 -1.603,953 3.497,954 4.06,955 2.513,956 5.407,957 3.487,958 5.243,959 -1,960 6.229,961 -2,962 2.944,963 3.651,964 2.243,965 6.071,966 2.957,967 6.493,968 -1,969 7.8,970 -2.347,971 4.92,972 6.048,973 3.759,974 9.052,975 4.905,976 7.775,977 -1.615,978 9.435,979 -2.506,980 5.142,981 6.377,982 4.173,983 10.584,984 5.158,985 9.085,986 -1.904,987 11.113,988 -4.154,989 6.624,990 8.312,991 5.307,992 13.068,993 6.614,994 10.415,995 -2,996 12.822,997 -4.789,998 7.225,999 9.007,1000 5.987,1001 14.951,1002 7.245,1003 11.761,1005 14.553,1006 -5.905,1007 8.475,1008 10.717,1009 6.97,1010 17.244,1011 8.477,1012 2.788,1014 16.3,1016 9.276,1017 11.625,1018 7.754,1019 19.275,1020 9.303,1021 2.206,1022 8.542,1023 18.059,1025 10.41,1026 13.2,1027 8.672,1028 21.486,1029 10.427,1030 1.776,1031 5.225,1032 19.827,1033 3.671,1034 11.317,1035 14.242,1036 9.501,1037 23.58,1038 11.353,1039 1.14,1040 4.048,1041 21.602,1042 2.734,1043 12.395,1044 15.728,1045 10.39,1046 25.756,1047 12.426,1048 1,1049 2.609,1050 23.382,1051 2.5,1052 13.358,1053 16.858,1054 11.239,1055 27.878,1056 13.403,1057 0.352,1058 2.136,1059 25.165,1060 1.581,1061 14.407,1062 18.283,1063 12.115,1064 30.037,1065 14.452,1066 -0.742,1067 0.744,1068 26.952,1069 1.5,1070 15.4,1071 19.471,1072 12.973,1073 32.172,1074 15.455,1075 1111,1076 2324,1077 8.148,1078 14.415,1079 18.873,1080 19.61,1081 19.045,1082 18.53,1083 18.523,1084 24.831,1085 7.152,1086 46.608,1087 18.434,1088 4.992,1089 5.642,1090 5.821,1091 4.795,1092 4.788,1093 6.671,1094 3.989,1095 14.447,1096 4.799,1097 6.853,1098 1.452,1099 1.508,1100 1.465,1101 1.425,1102 1.425,1103 1.91,1104 0.55,1105 3.585,1106 1.418,1107 3.924,1108 3.951,1109 3.863,1110 3.851,1111 7.475,1112 3.848,1113 3.599,1114 3.636,1115 3.518,1116 3.344,1117 7.428,1118 3.38,1119 3.217,1120 3.215,1121 3.171,1122 2.97,1123 6.351,1124 3.01,1125 2.854,1126 2.925,1127 2.687,1128 2.735,1129 4.728,1130 2.715,1131 2.709,1132 2.772,1133 2.547,1134 2.402,1135 4.001,1136 2.44,1137 2.428,1138 2.477,1139 2.257,1140 2.033,1141 3.674,1142 2.083,1143 2.009,1144 2.058,1145 1.792,1146 1.334,1147 3.527,1148 1.418,1149 1.788,1150 1.93,1151 1.383,1152 1.223,1153 2.674,1154 1.24,1155 0.319,1156 0.28,1157 0.463,1158 0.292,1159 0.214,1160 4.143,1161 0.282,1162 3.642,1163 0.183,1164 6.019,1165 0.657,1166 3.795,1167 0.215,1168 2.788,1169 3.671,1170 2.375,1171 8.542,1172 2.799,1173 1.903,1174 1.878,1175 2.019,1176 2,1177 1.078,1178 2.005,1179 1.484,1180 1.443,1181 1.677,1182 1.766,1183 0.8,1184 1.738,1185 1.07,1186 1.061,1187 1.216,1188 1.364,1189 0.248,1190 1.298,1191 0.886,1192 0.821,1193 1.181,1194 1.062,1195 0.218,1196 1.107,1197 0.599,1198 0.543,1199 0.882,1200 0.969,1202 0.957,1203 0.292,1204 0.238,1205 0.693,1206 0.709,1208 0.711,1211 0.381,1212 0.378,1214 0.326,1217 0.318,1218 0.252,1220 0.241,1221 3.296,1222 4.511,1224 5.911,1226 7.39,1228 8.91,1233 8.295,1234 -0.353,1235 2.26,1243 14.273,1244 36.294,1245 70.888,1246 77.743,1247 85.353,1248 88.107,1249 88.107,1250 24.234,1251 4.956,1252 66.4,1253 66.4,1254 6,1255 10.983,1256 3.17,1257 2.585,1258 24.94,1259 30,1260 26,1261 0.42,1262 93.854,1263 165.17,1264 220.764,1265 594,1267 9.682,1268 0.745,1269 0.528,1270 9.682,1271 6.858,1272 6.198,1273 0.477,1274 0.288,1275 3.686,1276 5.918,1277 3.625,1278 3.029,1279 6.198,1280 3.75,1281 5.347,1282 0.334,1283 0.153,1284 5.347,1285 2.442,1286 3.654,1287 0.215,1288 0.084,1289 3.654,1290 1.436,1291 2.535,1292 0.141,1293 0.047,1294 2.535,1295 0.847,1296 2.01,1297 0.1,1298 0.026,1299 2.01,1300 0.514,1301 0.639,1302 39.376,1303 0.35,1304 13.468,1305 1.184,1306 58,1307 243.954,1308 66.363,1309 230.055,1310 288.59,1311 210,1312 62,1313 187.993,1314 68.594,1315 188.51,1316 266.22,1317 176,1318 4.509}
{0 CHEMBL463,1 1.731,2 7,3 -0.039,4 0.002,5 50.471,6 8.092,7 0.429,8 3.282,9 3.397,10 2.857,11 2.735,12 4.635,13 2.759,14 3.689,15 3.828,16 3.155,17 3.036,18 5.191,19 3.031,20 3.928,21 4.104,22 3.103,23 3.08,24 5.332,25 3.048,26 3.879,27 4.095,28 2.865,29 2.883,30 5.202,31 2.846,32 3.634,33 3.841,34 2.79,35 2.663,36 5.282,37 2.638,38 3.403,39 3.605,40 2.596,41 2.494,42 4.899,43 2.463,44 3.348,45 3.545,46 2.302,47 2.204,48 4.832,49 2.22,50 2.961,51 3.192,52 1.765,53 1.759,54 4.309,55 1.735,56 0.122,57 0.339,58 4.392,59 1.867,60 21.35,61 2.246,62 0.256,63 0.476,64 7.165,65 2.966,66 42,67 3.863,68 0.388,69 0.524,70 10.638,71 3.485,72 60.925,73 4.599,74 0.374,75 0.448,76 11.239,77 3.043,78 65.76,79 4.215,80 0.389,81 0.341,82 8.862,83 2.55,84 80.045,85 3.608,86 0.199,87 0.282,88 6.529,89 2.24,90 33.819,91 3.026,92 0.279,93 0.221,94 6.873,95 1.548,96 48.512,97 1.97,98 0.191,99 0.142,100 4.885,101 0.995,102 38.212,103 1.408,104 21,105 18,106 0.356,107 0.731,108 0.807,109 0.841,110 0.841,111 0.841,112 2.729,113 0.846,114 -1.74,115 -1.8,116 -1.82,117 37.5,123 1,133 4,134 1,135 1,147 2,152 1,153 1,154 1,156 1,159 1,160 4,164 1,167 2,169 3,170 1,172 4,174 2,176 2,179 1,180 1,181 4,184 2,186 2,188 2,189 1,193 3,197 1,199 1,202 1,203 1,206 1,208 1,212 2,216 2,218 1,219 1,220 1,221 2,223 1,225 2,228 2,233 2,246 1,250 1,254 1,255 1,256 1,259 1,264 188,265 8.914,266 8.914,267 8.914,268 8.914,269 8.914,270 7.839,271 8.799,272 5.391,273 8.97,274 6.877,275 6.877,276 6.877,277 6.877,278 6.877,279 5.244,280 7.003,281 2.575,282 6.951,283 2.854,284 1.031,285 0.667,286 0.5,287 0.5,288 0.5,289 3.34,292 1,293 1,294 189,295 3,298 49.065,303 1.143,304 22.283,307 1,308 0.83,309 0.83,310 0.6,312 1,313 1,314 0.75,315 32,316 98,317 4.18,318 3.642,319 6.027,320 3.82,321 2.816,322 3.756,323 2.375,324 8.575,325 2.822,326 3.675,327 3.513,328 5.025,329 3.3,330 2.317,331 3.02,332 1.061,333 6.032,334 2.267,335 3.514,336 2.523,337 4.667,338 3.149,339 2.15,340 2.691,341 0.14,342 5.175,343 2.122,344 2.83,345 1.854,346 4.069,347 2.381,348 1.387,349 1.87,351 3.537,352 1.367,353 2.5,354 1.438,355 3.414,356 2,357 1,358 1.5,360 2.275,361 1,362 1.71,363 1,364 2.747,365 1.386,366 0.398,367 0.471,369 0.842,370 0.385,371 1.114,372 0.537,373 2,374 0.726,375 -0.263,376 -0.335,378 -0.561,379 -0.257,380 0.548,381 0.103,382 2,383 0.086,384 -1,385 -1.114,387 -2,388 -0.915,389 0.5,390 -0.177,391 1.607,393 -1,394 -1.473,396 -2.486,397 -1,398 0.227,399 -0.913,400 1.337,401 -0.065,402 -1,403 -1.5,405 -3,406 -1.074,407 -0.04,408 -1,409 1,410 -0.267,411 -1.24,412 -1.599,414 -3.018,415 -1.214,416 -0.408,417 -1.237,418 0.851,419 -0.655,420 -1.653,421 -2,422 -0.861,423 -4.176,424 -1.659,425 -0.5,426 -1.742,427 0.67,428 -0.961,429 -1.913,430 -2.287,431 -1.101,432 -5.275,433 -1.843,434 -0.851,435 -2,436 0.586,437 -1,438 -2,439 -3,440 -1.614,441 -5.92,442 -2,452 6.3,453 0.45,454 0.408,455 0.029,456 18,457 1.286,458 9.5,459 0.679,460 8.5,461 0.607,462 7.104,463 0.507,464 15.9,465 0.663,466 12.185,467 0.87,468 3.999,469 0.286,470 2.593,471 0.185,472 0.222,474 0.317,476 0.884,477 1.13,478 0.81,479 0.938,480 0.796,481 0.841,482 0.483,483 1.254,484 0.769,485 1.177,486 0.479,487 1.077,488 0.973,489 1.142,490 1.106,491 1.128,492 1.058,493 1.164,494 1.188,495 1.007,496 1.133,497 1.001,498 1.193,499 1.033,500 0.685,501 0.92,502 0.796,503 0.934,504 0.689,505 0.903,506 0.689,507 1.019,508 0.798,509 1.232,510 0.701,511 1.1,512 1.804,513 0.88,514 1.358,515 0.91,516 1.721,517 0.979,518 1.658,519 0.861,520 1.324,521 0.84,522 1.65,523 0.951,524 3.5,526 1.778,527 0.625,528 0.542,529 0.375,530 0.183,531 0.09,532 0.09,534 1216,535 5193,536 1.842,537 41.7,539 6,542 4,547 1.504,548 1.68,549 2.848,550 2.382,555 41.536,556 1.731,557 3.554,558 3.918,559 4.085,560 4.085,561 4.085,562 2.271,563 2.7,564 3.776,565 2.945,566 267.98,567 6.274,568 2127,570 1,573 110.039,574 1.557,575 3.7,576 0.25,578 0.099,579 0.039,580 0.045,581 0.034,582 0.02,583 0.015,584 0.03,586 0.533,587 0.5,588 1,589 1.876,590 54.022,591 -0.197,592 0.13,593 -0.07,594 0.156,595 -0.174,596 0.11,597 0.211,598 -0.098,599 0.024,600 -0.099,601 0.174,602 -0.095,603 -0.076,604 -0.13,605 -0.205,606 -0.138,607 -0.152,608 -0.21,609 -0.233,610 -0.091,611 -0.147,612 -0.079,613 -0.211,614 -0.077,615 0.302,616 -0.039,617 0.211,618 0.022,619 0.336,620 0.086,621 0.167,622 -0.09,623 0.156,624 -0.24,625 0.168,626 -0.093,627 -0.458,628 -0.057,629 -0.284,630 -0.062,631 -0.367,632 -0.101,633 -0.396,634 -0.087,635 -0.209,636 -0.025,637 -0.398,638 -0.048,639 2.742,640 4.245,641 0.429,642 8.408,643 1.03,644 1.137,645 0.508,646 0.258,647 0.643,648 2.708,649 2.944,650 2.996,651 3.045,652 3.219,653 3.045,654 2.708,655 2.398,656 2.398,657 1.609,658 4.283,659 0.637,660 194.21,661 2.708,662 4.174,663 4.934,664 5.746,665 6.535,666 7.349,667 8.149,668 8.965,669 9.77,670 10.587,671 8.3,675 1,678 1,687 4,692 2,694 6,697 1,700 1,707 24,709 8,710 1,711 14,712 24,713 9,714 6,715 2,716 4,717 1,718 1,719 1,730 8,731 1,734 2,738 2,741 2,744 1,747 10,748 5,749 4,750 5,753 2,758 1,759 3,772 1,781 1,789 1,791 1,797 14,798 1,801 1,802 1,803 1,815 12.5,817 1,818 2,822 8.333,823 3.95,824 3.194,825 1.147,827 1.328,828 1.259,829 0.892,830 3.479,831 6.452,832 2.996,833 3.481,834 3.834,835 4.21,836 4.703,837 4.627,838 4.427,839 3.976,840 4.202,841 3.841,842 0.8,843 16,844 5.114,845 0.002,846 2.091,847 8.548,848 9.04,849 0.001,850 6.719,851 0.001,853 3.048,854 42.667,855 0.001,858 70.627,859 51.568,860 50.908,862 92.973,865 51.568,866 163.6,867 50.908,869 20.116,870 70.802,871 98.588,872 5.942,874 70.627,876 70.627,877 102.475,878 92.973,880 70.627,881 92.973,884 20.116,885 82.359,888 70.627,889 143.881,890 51.568,893 70.627,894 13.663,895 37.905,896 18.011,897 125.87,898 70.627,899 143.881,900 51.568,901 0.571,902 0.289,903 0.128,904 0.08,905 7,906 4,907 0.125,908 3,910 1,911 2.591,912 76.521,914 6,915 49.303,918 10.535,919 4.624,920 3.392,922 143.881,923 6.227,928 0.945,930 93.591,931 266.075,932 19,936 21.4,939 -1.499,941 24.72,942 27.286,943 0.377,944 0.775,945 0.855,946 0.891,947 0.891,948 0.891,949 4.167,950 -1,951 4.905,952 -0.561,953 3.611,954 4.159,955 2.513,956 5.58,957 3.592,958 5.353,959 -1,960 6.399,961 -2,962 3.219,963 3.951,964 2.243,965 6.293,966 3.204,967 6.627,968 -1,969 7.987,970 -2.486,971 5.081,972 6.205,973 3.759,974 9.226,975 5.049,976 7.93,977 -1.24,978 9.628,979 -3,980 5.398,981 6.694,982 4.173,983 10.724,984 5.38,985 9.256,986 -1.653,987 11.303,988 -3.018,989 6.804,990 8.513,991 5.307,992 13.197,993 6.769,994 10.599,995 -1.913,996 13.002,997 -4.176,998 7.452,999 9.329,1000 5.987,1001 15.042,1002 7.435,1003 11.954,1004 -2,1005 14.72,1006 -5.275,1007 8.657,1008 10.953,1009 6.97,1010 17.334,1011 8.629,1012 2.816,1014 16.452,1015 -5.92,1016 9.48,1017 11.954,1018 7.754,1019 19.343,1020 9.468,1021 2.317,1022 8.575,1023 18.196,1025 10.591,1026 13.469,1027 8.672,1028 21.555,1029 10.573,1030 2.15,1031 6.032,1032 19.95,1033 3.756,1034 11.508,1035 14.584,1036 9.501,1037 23.64,1038 11.504,1039 1.387,1040 5.175,1041 21.711,1042 3.02,1043 12.574,1044 16.031,1045 10.39,1046 25.817,1047 12.569,1048 1,1049 3.537,1050 23.479,1051 2.691,1052 13.544,1053 17.22,1054 11.239,1055 27.937,1056 13.549,1057 0.398,1058 2.275,1059 25.253,1060 1.87,1061 14.589,1062 18.624,1063 12.115,1064 30.098,1065 14.595,1066 -0.263,1067 0.842,1068 27.03,1069 1.5,1070 15.588,1071 19.861,1072 12.973,1073 32.234,1074 15.602,1075 1359,1076 2864,1077 8.553,1078 15.42,1079 20.533,1080 21.477,1081 21.041,1082 20.158,1083 20.137,1084 26.616,1085 7.152,1086 52.872,1087 19.926,1088 5.032,1089 5.642,1090 5.441,1091 4.82,1092 4.816,1093 6.756,1094 3.989,1095 14.495,1096 4.822,1097 8.469,1098 1.467,1099 1.534,1100 1.503,1101 1.44,1102 1.438,1103 1.901,1104 0.511,1105 3.777,1106 1.423,1107 3.937,1108 3.966,1109 3.882,1110 3.857,1111 7.475,1112 3.858,1113 3.606,1114 3.645,1115 3.528,1116 3.347,1117 7.428,1118 3.385,1119 3.259,1120 3.278,1121 3.212,1122 3.004,1123 6.351,1124 3.046,1125 2.873,1126 2.966,1127 2.714,1128 2.735,1129 5.109,1130 2.715,1131 2.854,1132 2.925,1133 2.687,1134 2.489,1135 4.466,1136 2.543,1137 2.55,1138 2.618,1139 2.347,1140 2.101,1141 3.974,1142 2.151,1143 2.211,1144 2.318,1145 1.949,1146 1.852,1147 3.674,1148 1.859,1149 2.007,1150 2.052,1151 1.791,1152 1.331,1153 3.218,1154 1.416,1155 0.299,1156 0.26,1157 0.431,1158 0.273,1159 0.201,1160 4.18,1161 0.268,1162 3.642,1163 0.17,1164 6.027,1165 0.612,1166 3.82,1167 0.202,1168 2.816,1169 3.756,1170 2.375,1171 8.575,1172 2.822,1173 1.906,1174 1.881,1175 2.009,1176 2.012,1177 1.079,1178 2.011,1179 1.487,1180 1.445,1181 1.677,1182 1.774,1183 0.799,1184 1.743,1185 1.115,1186 1.091,1187 1.293,1188 1.423,1189 0.218,1190 1.375,1191 0.886,1192 0.821,1193 1.181,1194 1.168,1195 0.21,1196 1.129,1197 0.718,1198 0.638,1199 1.002,1200 1.062,1202 1.107,1203 0.4,1204 0.317,1205 0.785,1206 0.864,1208 0.842,1209 0.169,1210 0.054,1211 0.631,1212 0.541,1214 0.581,1217 0.381,1218 0.368,1220 0.313,1221 3.367,1222 4.615,1224 6.038,1226 7.537,1228 9.079,1232 5.423,1233 8.319,1234 -0.386,1235 2.239,1243 15.294,1244 41.536,1245 85.284,1246 94.039,1247 98.039,1248 98.039,1249 98.039,1250 29.584,1251 5.124,1252 92.42,1253 92.42,1254 6,1255 11.173,1256 3.17,1257 2.585,1258 28.062,1259 35,1260 30,1261 0.41,1262 100.648,1263 176.17,1264 237.342,1265 735,1267 10.552,1268 0.754,1269 0.526,1270 10.552,1271 7.358,1272 6.592,1273 0.471,1274 0.282,1275 3.876,1276 6.275,1277 3.809,1278 3.18,1279 6.592,1280 3.949,1281 5.968,1282 0.332,1283 0.15,1284 5.968,1285 2.698,1286 4.065,1287 0.214,1288 0.083,1289 4.065,1290 1.573,1291 2.687,1292 0.134,1293 0.045,1294 2.687,1295 0.892,1296 2.221,1297 0.093,1298 0.024,1299 2.221,1300 0.573,1301 0.629,1302 42.028,1303 0.342,1304 14.474,1305 1.145,1306 64,1307 261.266,1308 73.39,1309 248.656,1310 312.66,1311 226,1312 69,1313 206.838,1314 76.426,1315 208.422,1316 293.96,1317 194,1318 4.384}
{0 CHEMBL483,1 1.97,2 8.105,3 -1.65,4 2.721,5 67.38,6 8.705,7 0.5,8 3.636,9 3.755,10 3.511,11 3.076,12 4.828,13 3.052,14 4.162,15 4.319,16 3.729,17 3.372,18 5.721,19 3.38,20 4.352,21 4.522,22 3.61,23 3.415,24 5.72,25 3.397,26 4.319,27 4.569,28 3.506,29 3.469,30 5.334,31 3.354,32 4.315,33 4.548,34 3.415,35 3.398,36 5.463,37 3.275,38 4.281,39 4.508,40 3.231,41 3.23,42 5.517,43 3.111,44 4.02,45 4.283,46 3.303,47 3.077,48 5.216,49 2.947,50 3.828,51 4.019,52 3.175,53 2.812,54 5.448,55 2.752,56 0.295,57 0.496,58 8.849,59 3.081,60 36.967,61 3.047,62 0.73,63 0.687,64 17.049,65 4.864,66 95.186,67 5.169,68 0.961,69 0.732,70 16.659,71 4.677,72 96.636,73 5.958,74 0.555,75 0.743,76 18.671,77 5.623,78 52.674,79 7.318,80 0.665,81 0.645,82 22.686,83 6.022,84 62.451,85 7.198,86 0.84,87 0.543,88 18.643,89 4.681,90 102.007,91 5.747,92 0.505,93 0.457,94 16.841,95 3.95,96 45.41,97 5.295,98 0.556,99 0.34,100 11.011,101 2.921,102 65.155,103 3.304,104 31,105 29,106 0.37,107 0.739,108 0.864,109 0.864,110 0.864,111 0.864,112 3.009,113 1.086,114 -1.31,115 -1.39,116 -1.46,117 27.3,118 1,123 1,124 1,125 1,137 1,138 1,139 1,149 1,150 1,152 1,153 1,154 1,156 1,159 2,163 3,164 1,165 1,166 1,167 3,168 1,175 4,176 1,178 1,179 3,187 1,190 2,191 2,197 1,202 2,203 3,204 1,208 2,215 1,219 2,227 1,228 1,229 2,230 1,231 1,233 1,238 1,239 2,243 4,253 1,258 1,263 1,264 420,265 12.016,266 12.016,267 12.016,268 12.016,269 12.016,270 10.607,271 11.529,272 6.917,273 12.452,274 9.86,275 9.86,276 9.86,277 9.86,278 9.86,279 7.71,280 10.41,281 3.281,282 10.565,283 3.074,284 1.114,285 0.447,286 0.447,287 0.447,288 0.447,289 3.657,293 1,294 315,295 3.742,297 41.091,298 50.114,301 77.07,303 1.28,304 30.74,307 1,308 0.83,309 1,310 1,312 0.83,313 0.5,314 0.74,315 44.167,316 154,317 4.601,318 3.222,319 6.687,320 4.099,321 3.15,322 4.566,323 0.86,324 10.781,325 3.076,326 4.379,327 3.157,328 6.397,329 4.078,330 3.1,331 3.717,333 9.96,334 2.945,335 3.727,336 2.713,337 5.653,338 3.384,339 2.455,340 3.137,342 7.424,343 2.271,344 3.245,345 2.331,346 4.993,347 3.008,348 2.095,349 2.327,351 5.813,352 1.907,353 3.048,354 1.558,355 4.342,356 2.454,357 1.55,358 2.29,360 3.818,361 1.4,362 2.692,363 1.483,364 4.085,365 2.225,366 1.312,367 1.762,369 3.646,370 1.195,371 2.284,372 1.044,373 3.343,374 1.758,375 0.855,376 1.197,378 1.954,379 0.771,380 1.669,381 0.867,382 3.256,383 1.46,384 0.575,385 0.606,387 1.355,388 0.503,389 1.105,390 0.005,391 2.67,392 0.732,393 -0.184,394 -0.218,396 -0.442,397 -0.168,398 0.853,399 -0.321,400 2.367,401 0.477,402 -0.445,403 -0.556,405 -1.098,406 -0.409,407 0.637,408 -0.711,409 2,411 -1,412 -1,414 -2.511,415 -0.915,416 0.379,417 -1,418 2,420 -1,421 -1,423 -2.956,424 -0.943,426 -1,427 2,428 -0.051,429 -1,430 -1.315,432 -3,433 -1,435 -1,436 2,437 -0.074,438 -1,439 -1.543,441 -3,442 -1,443 -0.006,444 -1.211,445 1.753,446 -0.405,447 -1.324,448 -1.747,450 -3.378,451 -1.213,452 8.833,453 0.465,454 0.72,455 0.038,456 23.75,457 1.25,458 10,459 0.526,460 13.75,461 0.724,462 13.842,463 0.729,464 22.367,465 0.678,466 16.548,467 0.871,468 4.524,469 0.238,470 4.342,471 0.229,472 0.215,473 0.113,474 0.272,476 1.171,477 1.858,478 0.821,479 1.637,480 1.08,481 1.036,482 0.817,483 1.114,484 1.058,485 1.328,486 0.474,487 0.907,488 1.119,489 1.011,490 0.89,491 0.591,492 1.096,493 1.038,494 0.643,495 0.955,496 0.828,497 0.823,498 0.442,499 0.999,500 0.857,501 1.137,502 1.264,503 1.419,504 0.781,505 1.217,506 1.36,507 0.745,508 1.077,509 0.608,510 1.663,511 1.043,512 0.769,513 0.97,514 0.824,515 1.055,516 0.666,517 0.854,518 1.144,519 0.846,520 0.961,521 0.769,522 1.401,523 1.007,524 5.5,525 0.037,526 2.444,527 1.382,528 1.093,529 0.417,530 0.342,531 0.28,532 0.225,533 0.134,534 3047,535 12604,536 1.923,537 42.4,539 3,540 2,541 2,542 4,544 3,547 1.6,548 1.74,549 3,550 2.245,555 65.023,556 1.97,557 3.931,558 4.597,559 4.597,560 4.597,561 4.597,562 2.439,563 3.682,564 4.221,565 3.197,566 546.696,567 7.174,568 5459.19,573 166.465,574 1.763,575 4.128,576 0.275,577 0.006,578 0.084,579 0.055,580 0.05,581 0.022,582 0.024,583 0.019,584 0.017,585 0.017,586 0.57,587 0.33,588 1,589 1.848,590 82.926,591 -0.352,592 -0.459,593 0.208,594 -0.194,595 -0.321,596 0.002,597 0.188,598 0.064,599 -0.064,600 -0.158,601 0.391,602 0.053,603 -0.023,604 -0.034,605 -0.16,606 0.065,607 -0.112,608 -0.139,609 0.002,610 0.066,611 0.033,612 0.037,613 0.03,614 0.024,615 -0.023,616 -0.143,617 -0.197,618 -0.26,619 -0.02,620 -0.174,621 -0.265,622 0.08,623 -0.19,624 0.135,625 -0.397,626 -0.118,627 0.063,628 -0.077,629 0.267,630 0.024,631 0.091,632 0.187,633 0.085,634 0.055,635 -0.01,636 0.08,637 0.008,638 -0.139,639 4.964,640 3.708,641 0.474,642 13.175,643 1.037,644 1.155,645 0.077,646 0.006,647 0.647,648 3.045,649 3.401,650 3.526,651 3.761,652 3.912,653 3.871,654 3.951,655 3.951,656 3.761,657 3.664,658 5.134,659 0.622,660 287.25,661 3.045,662 4.595,663 5.407,664 6.297,665 7.136,666 8.025,667 8.879,668 9.767,669 10.631,670 11.518,671 15.2,675 1,679 1,681 3,686 2,687 2,688 3,692 1,693 1,694 10,700 1,707 33,709 11,711 20,712 34,713 9,714 5,718 2,719 3,723 1,728 1,730 5,731 4,734 1,738 1,742 1,747 14,748 8,749 4,750 10,751 1,752 1,753 5,758 0.5,759 4,764 1,765 1,768 1,771 1,772 1,775 1,789 2,790 1,791 1,794 1,797 19,798 1,801 2,802 2,804 1,806 1,815 12.1,816 2,818 1,819 1,822 10.917,823 5.817,824 4.042,825 1.627,826 1,827 2.149,828 1.346,829 0.925,830 4.064,831 8.366,832 3.296,833 3.937,834 4.429,835 5.037,836 5.484,837 5.752,838 6.077,839 6.361,840 6.065,841 6.015,842 1,843 25,844 7.267,846 3.363,847 8.323,848 12.726,850 10.238,853 2.823,854 53.639,858 118.959,859 36.119,860 85.153,862 105.527,864 1.248,865 36.119,866 223.238,867 85.153,868 8.825,869 3.869,870 108.409,871 115.496,872 12.662,873 25.87,874 70.627,876 117.711,877 121.272,878 105.527,879 1.248,880 82.398,881 55.577,882 85.264,884 35.69,885 35.225,886 51.605,888 117.711,889 190.68,890 36.119,891 1.248,892 1.248,893 117.711,894 10.056,895 27.961,897 188.781,898 117.711,899 190.68,900 37.367,901 0.597,902 0.305,903 0.155,904 0.088,905 14,906 7,907 0.147,908 5,909 1,910 1.222,911 3.06,912 132.056,913 0.222,914 9,915 78.711,918 14.219,919 5.43,920 3.641,921 1.045,922 188.781,923 2.865,924 11.973,928 0.285,929 1.692,930 107.161,931 345.757,932 26,936 10.708,940 -4.158,941 34.211,942 38.129,943 0.391,944 0.779,945 0.911,946 0.911,947 0.911,948 0.911,949 4.549,950 0.575,951 5.468,952 1.954,953 4.078,954 4.62,955 0.908,956 6.308,957 3.949,958 5.81,959 -0.184,960 7.059,961 1.355,962 4.007,963 4.758,965 7.526,966 3.898,967 7.168,968 -0.445,969 8.756,970 -0.442,971 5.778,972 6.935,973 0.739,974 10.44,975 5.561,976 8.563,977 -1,978 10.513,979 -1.098,980 6.431,981 7.837,983 12.376,984 6.237,985 9.987,986 -1,987 12.305,988 -2.511,989 7.788,990 9.593,991 0.593,992 14.911,993 7.514,994 11.431,995 -1,996 14.12,997 -2.956,998 8.726,999 10.826,1001 17.099,1002 8.457,1003 12.891,1004 -1,1005 15.951,1006 -3,1007 9.941,1008 12.428,1009 0.469,1010 19.518,1011 9.615,1012 3.15,1013 -1.324,1014 17.794,1015 -3,1016 10.995,1017 13.811,1019 21.804,1020 10.658,1021 3.1,1022 10.781,1023 19.645,1024 -3.378,1025 12.16,1026 15.353,1027 0.366,1028 24.183,1029 11.779,1030 2.455,1031 9.96,1032 21.503,1033 4.566,1034 13.262,1035 16.805,1037 26.509,1038 12.861,1039 2.095,1040 7.424,1041 23.366,1042 3.717,1043 14.409,1044 18.327,1045 0.283,1046 28.875,1047 13.971,1048 1.55,1049 5.813,1050 25.234,1051 3.137,1052 15.532,1053 19.811,1055 31.219,1056 15.068,1057 1.312,1058 3.818,1059 27.104,1060 2.327,1061 16.674,1062 21.326,1063 0.217,1064 33.581,1065 16.176,1066 0.855,1067 3.646,1068 28.978,1069 2.29,1070 17.806,1071 22.827,1073 35.935,1074 17.28,1075 3171,1076 6538,1077 12.425,1078 21.335,1079 30.49,1080 30.736,1081 31.111,1082 30.051,1083 30.185,1084 39.205,1085 1.72,1086 89.503,1087 28.137,1088 5.506,1089 5.222,1090 6.216,1091 5.176,1092 5.15,1093 7.566,1094 1.72,1095 17.869,1096 4.96,1097 11.76,1098 1.525,1099 1.537,1100 1.556,1101 1.503,1102 1.509,1103 1.96,1104 0.086,1105 4.475,1106 1.407,1107 4.088,1108 4.145,1109 4.433,1110 3.926,1111 7.468,1112 3.93,1113 3.742,1114 3.753,1115 4.063,1116 3.873,1117 6.435,1118 3.578,1119 3.537,1120 3.582,1121 3.477,1122 3.398,1123 6.23,1124 3.363,1125 3.282,1126 3.367,1127 3.192,1128 3.02,1129 5.27,1130 3.048,1131 2.992,1132 3.104,1133 2.883,1134 2.696,1135 4.849,1136 2.728,1137 2.783,1138 2.9,1139 2.547,1140 2.485,1141 4.554,1142 2.465,1143 2.708,1144 2.771,1145 2.479,1146 2.358,1147 4.469,1148 2.344,1149 2.307,1150 2.393,1151 2.195,1152 2.133,1153 3.816,1154 2.134,1155 0.23,1156 0.161,1157 0.334,1158 0.205,1159 0.158,1160 4.601,1161 0.228,1162 3.222,1163 0.043,1164 6.687,1165 0.539,1166 4.099,1167 0.154,1168 3.15,1169 4.566,1170 0.86,1171 10.781,1172 3.076,1173 1.811,1174 1.762,1175 1.922,1176 2.02,1177 1.178,1178 1.99,1179 1.657,1180 1.623,1181 1.783,1182 1.864,1183 0.904,1184 1.863,1185 1.508,1186 1.477,1187 1.516,1188 1.631,1189 0.803,1190 1.712,1191 1.268,1192 1.189,1193 1.425,1194 1.497,1195 0.562,1196 1.538,1197 0.874,1198 0.786,1199 1.178,1200 1.228,1201 0.199,1202 1.219,1203 0.791,1204 0.661,1205 1.127,1206 1.142,1208 1.152,1209 0.649,1210 0.572,1211 0.903,1212 1.02,1214 1.017,1215 0.533,1216 0.455,1217 0.774,1218 0.856,1220 0.883,1221 3.714,1222 5.056,1223 2.398,1224 6.561,1225 4.727,1226 8.142,1227 6.843,1228 9.768,1229 1.7,1232 5.655,1233 17.461,1234 -0.259,1236 5.073,1238 -0.402,1243 20.524,1244 65.023,1245 129.71,1246 151.71,1247 151.71,1248 151.71,1249 151.71,1250 34.09,1251 6.217,1252 136.38,1253 146.19,1254 11,1255 12.054,1256 3.585,1257 2.807,1258 33.803,1259 58,1260 48,1261 0.293,1262 134.491,1263 217.17,1264 319.917,1265 3355,1267 14.044,1268 0.739,1269 0.582,1270 14.294,1271 11.065,1272 8.866,1273 0.443,1274 0.362,1275 5.441,1276 7.538,1277 5.173,1278 4.282,1279 9.793,1280 7.239,1281 9.014,1282 0.311,1283 0.196,1284 10.419,1285 5.687,1286 6.046,1287 0.183,1288 0.088,1289 6.493,1290 2.896,1291 4.837,1292 0.115,1293 0.048,1294 5.177,1295 2.035,1296 3.899,1297 0.08,1298 0.028,1299 4.298,1300 1.379,1301 0.455,1302 66.171,1303 0.284,1304 19.049,1305 0.81,1306 98,1307 383.276,1308 146.14,1309 371.958,1310 485.72,1311 340,1312 111,1313 321.489,1314 164.837,1315 349.59,1316 506.44,1317 323,1318 3.114}
{0 CHEMBL484,1 2.019,2 8.167,3 -2.027,4 4.109,5 62.961,6 9.107,7 0.526,8 3.556,9 3.672,10 3.475,11 2.991,12 4.778,13 2.977,14 4.069,15 4.217,16 3.667,17 3.275,18 5.68,19 3.292,20 4.222,21 4.39,22 3.533,23 3.29,24 5.644,25 3.282,26 4.149,27 4.388,28 3.345,29 3.273,30 5.242,31 3.181,32 4.107,33 4.342,34 3.11,35 3.087,36 5.246,37 2.99,38 3.887,39 4.113,40 3.066,41 2.945,42 5.084,43 2.816,44 3.796,45 4.047,46 3.196,47 2.864,48 5.072,49 2.756,50 3.601,51 3.748,52 3.142,53 2.661,54 5.329,55 2.63,56 0.314,57 0.453,58 7.641,59 2.801,60 40.068,61 2.497,62 0.74,63 0.623,64 15.316,65 4.363,66 94.235,67 4.221,68 0.891,69 0.645,70 13.733,71 4.002,72 93.799,73 4.898,74 0.53,75 0.606,76 15.935,77 4.736,78 51.268,79 5.908,80 0.675,81 0.47,82 16.693,83 3.886,84 72.294,85 4.917,86 0.536,87 0.394,88 12.108,89 3.633,90 59.23,91 4.31,92 0.485,93 0.352,94 13.816,95 3.008,96 45.597,97 3.691,98 0.483,99 0.274,100 8.118,101 2.653,102 56.088,103 2.567,104 22,105 27,106 0.388,107 0.761,108 0.865,109 0.865,110 0.865,111 0.865,112 2.959,113 1.075,114 -0.99,115 -1.09,116 -1.19,117 26.7,123 2,124 1,137 1,138 1,139 1,149 1,150 1,152 1,153 1,154 1,156 1,159 2,163 3,165 1,166 1,167 3,168 1,175 4,178 1,179 3,187 1,190 2,191 2,202 2,204 1,215 1,219 2,227 1,229 2,230 1,231 1,239 2,243 4,253 1,258 1,263 1,264 374,265 11.569,266 11.569,267 11.569,268 11.569,269 11.569,270 10.159,271 10.45,272 6.772,273 12.013,274 9.377,275 9.377,276 9.377,277 9.377,278 9.377,279 7.217,280 8.286,281 3.191,282 10.079,283 2.888,284 0.942,285 0.4,286 0.4,287 0.4,288 0.4,289 3.609,293 1,294 302,295 3.464,297 38.308,298 46.783,301 71.875,303 1.296,304 29.316,307 1,308 0.83,309 1,310 0.8,312 0.83,313 0.5,314 0.71,315 42.167,316 147,317 4.599,318 3.191,319 6.682,320 4.092,321 3.142,322 4.566,323 0.86,324 10.759,325 3.074,326 4.377,327 3.151,328 6.394,329 4.076,330 3.097,331 3.716,333 9.951,334 2.94,335 3.694,336 2.484,337 5.61,338 3.258,339 2.337,340 3.125,342 7.201,343 2.148,344 3.049,345 2.103,346 4.468,347 2.523,348 1.62,349 2.323,351 4.177,352 1.458,353 2.835,354 1.558,355 4.087,356 2.448,357 1.545,358 1.929,360 3.664,361 1.395,362 2.485,363 1.482,364 3.638,365 2.124,366 1.241,367 1.478,369 2.917,370 1.089,371 2.261,372 0.912,373 3.312,374 1.757,375 0.855,376 1.178,378 1.939,379 0.77,380 1.509,381 0.655,382 3.038,383 1.281,384 0.366,385 0.402,387 0.853,388 0.332,389 1.059,390 -0.046,391 2.37,392 0.624,393 -0.28,394 -0.349,396 -0.637,397 -0.253,398 0.742,399 -0.33,400 2.355,401 0.318,402 -0.584,403 -0.681,405 -1.466,406 -0.521,407 0.595,408 -0.929,409 2,411 -1,412 -1,414 -2.506,415 -0.919,416 0.275,417 -1,418 2,420 -1,421 -1.239,423 -3,424 -1,426 -1,427 2,428 -0.073,429 -1,430 -1.527,432 -3,433 -1,434 -0.006,435 -1.208,436 1.864,437 -0.399,438 -1.32,439 -1.743,441 -3.377,442 -1.211,443 -0.119,444 -1.332,445 1.31,446 -0.503,447 -1.436,448 -1.814,450 -4.219,451 -1.342,452 8.333,453 0.463,454 0.614,455 0.034,456 23.25,457 1.292,458 10,459 0.556,460 13.25,461 0.736,462 11.593,463 0.644,464 21.067,465 0.702,466 15.758,467 0.875,468 4.556,469 0.253,470 3.916,471 0.218,472 0.168,473 0.12,474 0.228,476 1.203,477 1.885,478 0.814,479 1.647,480 1.086,481 1,482 0.876,483 1.087,484 1.133,485 1.333,486 0.505,487 0.901,488 1.018,489 0.976,490 0.858,491 0.559,492 1.118,493 1.02,494 0.656,495 1.07,496 0.925,497 0.978,498 0.461,499 1.107,500 1.092,501 0.88,502 1.183,503 0.974,504 1.022,505 1.158,506 0.912,507 0.923,508 0.882,509 0.736,510 1.136,511 1.058,512 0.949,513 0.799,514 0.933,515 1.067,516 0.819,517 0.743,518 1.139,519 0.91,520 0.858,521 0.828,522 1.452,523 0.948,524 4.5,525 0.037,526 2.222,527 1.257,528 0.738,529 0.281,530 0.279,531 0.253,532 0.225,533 0.134,534 2760,535 12007,536 1.95,537 40,539 4,540 2,541 2,542 4,547 1.58,548 1.785,549 2.995,550 2.323,555 60.578,556 2.019,557 3.965,558 4.507,559 4.507,560 4.507,561 4.507,562 2.441,563 3.572,564 4.142,565 3.201,566 489.689,567 6.998,568 4772.67,573 147.207,574 1.696,575 4.063,576 0.237,577 0.006,578 0.082,579 0.055,580 0.039,581 0.022,582 0.023,583 0.019,584 0.017,585 0.017,586 0.517,587 0.33,588 1,589 1.872,590 77.554,591 -0.388,592 -0.502,593 0.203,594 -0.206,595 -0.331,596 0.007,597 0.131,598 0.083,599 -0.148,600 -0.159,601 0.362,602 0.03,603 0.008,604 -0.003,605 -0.145,606 0.077,607 -0.12,608 -0.129,609 0.013,610 -0.057,611 -0.045,612 -0.101,613 0.036,614 -0.076,615 -0.186,616 0.012,617 -0.236,618 -0.103,619 -0.188,620 -0.18,621 0.003,622 -0.051,623 0.041,624 0.106,625 -0.17,626 -0.047,627 -0.027,628 0.09,629 0.243,630 0.093,631 0.026,632 0.284,633 0.174,634 -0.004,635 0.112,636 0.121,637 0.077,638 -0.054,639 4.926,640 3.563,641 0.5,642 12.84,643 1.044,644 1.157,645 -0.24,646 0.058,647 0.652,648 2.996,649 3.332,650 3.466,651 3.689,652 3.784,653 3.784,654 3.829,655 3.85,656 3.638,657 3.584,658 5.184,659 0.633,660 273.22,661 2.996,662 4.533,663 5.342,664 6.225,665 7.059,666 7.943,667 8.791,668 9.677,669 10.534,670 11.42,671 16.7,675 1,679 1,681 3,686 2,687 2,688 3,692 1,693 1,694 10,700 1,707 30,709 11,711 19,712 31,713 8,714 5,718 2,719 3,730 5,731 3,734 1,738 1,742 1,747 12,748 8,749 4,750 10,751 1,752 1,753 5,758 0.5,759 4,764 1,765 1,768 1,771 1,772 1,775 1,789 2,790 1,791 1,797 18,798 1,801 2,802 3,804 1,815 13.3,816 2,818 1,819 1,822 10.083,823 4.983,824 3.875,825 1.405,826 1,827 2.163,828 1.353,829 0.932,830 3.827,831 8.292,832 3.258,833 3.897,834 4.405,835 5.011,836 5.438,837 5.708,838 6.008,839 6.298,840 5.933,841 5.881,842 1,843 23,844 6.869,846 3.174,847 8.378,848 11.97,850 9.559,853 2.878,854 51.806,858 95.417,859 31.886,860 85.153,862 105.527,864 1.248,865 31.886,866 199.696,867 85.153,869 8.461,870 108.409,871 115.496,872 12.662,873 25.87,874 47.084,876 94.169,877 117.039,878 105.527,879 1.248,880 94.169,881 20.263,882 85.264,884 31.457,885 35.225,886 51.605,888 94.169,889 190.68,890 31.886,891 1.248,892 1.248,893 94.169,894 14.649,895 19.136,897 188.781,898 94.169,899 190.68,900 33.134,901 0.589,902 0.303,903 0.155,904 0.077,905 13,906 6,907 0.161,908 5,909 1,910 1.222,911 3.03,912 120.32,913 0.222,914 9,915 73.059,918 13.242,919 5.203,920 3.406,921 1.051,922 188.781,923 2.85,924 11.885,928 0.287,929 1.674,930 107.161,931 317.982,932 25,936 10.563,940 -4.121,941 31.327,942 34.714,943 0.412,944 0.808,945 0.918,946 0.918,947 0.918,948 0.918,949 4.494,950 0.366,951 5.389,952 1.939,953 4.007,954 4.58,955 0.908,956 6.225,957 3.877,958 5.752,959 -0.28,960 6.974,961 0.853,962 3.892,963 4.705,965 7.466,966 3.795,967 7.11,968 -0.584,969 8.673,970 -0.637,971 5.7,972 6.911,973 0.739,974 10.379,975 5.49,976 8.51,977 -1,978 10.436,979 -1.466,980 6.347,981 7.818,983 12.343,984 6.17,985 9.94,986 -1,987 12.236,988 -2.506,989 7.722,990 9.582,991 0.593,992 14.873,993 7.46,994 11.391,995 -1,996 14.061,997 -3,998 8.665,999 10.818,1001 17.076,1002 8.413,1003 12.857,1004 -1.32,1005 15.9,1006 -3,1007 9.889,1008 12.423,1009 0.469,1010 19.491,1011 9.578,1012 3.142,1013 -1.436,1014 17.75,1015 -3.377,1016 10.948,1017 13.807,1019 21.783,1020 10.628,1021 3.097,1022 10.759,1023 19.608,1024 -4.219,1025 12.117,1026 15.35,1027 0.366,1028 24.159,1029 11.752,1030 2.337,1031 9.951,1032 21.471,1033 4.566,1034 13.223,1035 16.803,1037 26.487,1038 12.837,1039 1.62,1040 7.201,1041 23.338,1042 3.716,1043 14.371,1044 18.324,1045 0.283,1046 28.851,1047 13.949,1048 1.545,1049 4.177,1050 25.208,1051 3.125,1052 15.496,1053 19.809,1055 31.195,1056 15.048,1057 1.241,1058 3.664,1059 27.081,1060 2.323,1061 16.638,1062 21.324,1063 0.217,1064 33.555,1065 16.157,1066 0.855,1067 2.917,1068 28.957,1069 1.929,1070 17.77,1071 22.824,1073 35.907,1074 17.261,1075 2861,1076 6051,1077 12.019,1078 19.574,1079 28.566,1080 28.951,1081 28.985,1082 28.297,1083 28.408,1084 37.433,1085 1.72,1086 82.924,1087 26.412,1088 5.504,1089 5.191,1090 6.324,1091 5.168,1092 5.142,1093 7.566,1094 1.72,1095 17.814,1096 4.958,1097 10.328,1098 1.503,1099 1.524,1100 1.526,1101 1.489,1102 1.495,1103 1.97,1104 0.091,1105 4.364,1106 1.39,1107 4.085,1108 4.143,1109 4.432,1110 3.922,1111 7.468,1112 3.926,1113 3.724,1114 3.726,1115 4.061,1116 3.872,1117 6.435,1118 3.561,1119 3.481,1120 3.545,1121 3.407,1122 3.281,1123 6.23,1124 3.278,1125 3.187,1126 3.255,1127 3.104,1128 2.926,1129 5.27,1130 2.946,1131 2.986,1132 3.101,1133 2.875,1134 2.67,1135 4.848,1136 2.706,1137 2.708,1138 2.776,1139 2.521,1140 2.36,1141 4.534,1142 2.348,1143 2.363,1144 2.496,1145 2.198,1146 2.134,1147 4.461,1148 2.134,1149 2.304,1150 2.383,1151 2.097,1152 1.989,1153 3.802,1154 1.988,1155 0.242,1156 0.168,1157 0.352,1158 0.215,1159 0.165,1160 4.599,1161 0.24,1162 3.191,1163 0.045,1164 6.682,1165 0.566,1166 4.092,1167 0.162,1168 3.142,1169 4.566,1170 0.86,1171 10.759,1172 3.074,1173 1.803,1174 1.754,1175 1.885,1176 2.015,1177 1.121,1178 1.98,1179 1.617,1180 1.594,1181 1.74,1182 1.831,1183 0.904,1184 1.833,1185 1.494,1186 1.446,1187 1.46,1188 1.622,1189 0.761,1190 1.707,1191 1.105,1192 1.037,1193 1.289,1194 1.364,1195 0.358,1196 1.381,1197 0.802,1198 0.725,1199 1.142,1200 1.223,1201 0.03,1202 1.211,1203 0.78,1204 0.66,1205 0.979,1206 1.067,1208 1.054,1209 0.536,1210 0.468,1211 0.795,1212 0.92,1214 0.934,1215 0.231,1216 0.083,1217 0.755,1218 0.683,1220 0.673,1221 3.664,1222 4.99,1223 2.398,1224 6.488,1225 4.727,1226 8.067,1227 6.843,1228 9.692,1232 5.62,1233 17.226,1234 -0.093,1236 4.864,1243 18.997,1244 60.578,1245 118.942,1246 135.207,1247 135.207,1248 135.207,1249 135.207,1250 28.919,1251 6.129,1252 136.38,1253 146.19,1254 11,1255 11.958,1256 3.585,1257 2.807,1258 31.274,1259 55,1260 46,1261 0.282,1262 124.898,1263 199.87,1264 296.512,1265 3076,1267 13.173,1268 0.732,1269 0.566,1270 13.423,1271 10.195,1272 8.472,1273 0.446,1274 0.358,1275 5.005,1276 7.138,1277 4.798,1278 3.943,1279 9.399,1280 6.806,1281 8.38,1282 0.31,1283 0.191,1284 9.785,1285 5.159,1286 5.706,1287 0.184,1288 0.087,1289 6.169,1290 2.684,1291 4.65,1292 0.119,1293 0.046,1294 4.978,1295 1.776,1296 3.389,1297 0.079,1298 0.025,1299 3.613,1300 1.061,1301 0.443,1302 63.9,1303 0.288,1304 18.315,1305 0.764,1306 92,1307 377.276,1308 139.476,1309 365.236,1310 474.82,1311 334,1312 104,1313 309.58,1314 157.338,1315 337.905,1316 489.68,1317 312,1318 2.914}
{0 CHEMBL494753,1 1.507,2 9.208,3 3.036,4 9.22,5 89.074,6 7.619,7 0.222,8 3.94,9 4.02,10 3.708,11 3.528,12 4.881,13 3.483,14 4.59,15 4.723,16 4.016,17 4.019,18 5.966,19 3.953,20 4.945,21 5.141,22 4.062,23 4.275,24 5.836,25 4.155,26 5.107,27 5.329,28 4.002,29 4.324,30 6.019,31 4.16,32 5.132,33 5.408,34 3.82,35 4.179,36 5.991,37 3.988,38 4.848,39 5.126,40 3.616,41 3.864,42 5.74,43 3.686,44 4.476,45 4.702,46 3.464,47 3.531,48 5.555,49 3.405,50 4.209,51 4.388,52 3.279,53 3.226,54 5.456,55 3.133,56 0.128,57 0.625,58 13.609,59 5.444,60 25.21,61 6.184,62 0.694,63 1.105,64 21.26,65 9.551,66 121.129,67 12.056,68 0.321,69 1.561,70 31.126,71 13.714,72 62.501,73 17.765,74 0.429,75 1.789,76 40.002,77 16.129,78 87.325,79 20.99,80 0.589,81 1.725,82 44.142,83 15.756,84 102.495,85 21.24,86 0.491,87 1.277,88 35.334,89 11.867,90 79.302,91 15.568,92 0.413,93 0.873,94 25.496,95 8.151,96 72.411,97 9.63,98 0.387,99 0.646,100 20.149,101 6.031,102 70.453,103 6.377,104 28,105 43,106 0.261,107 0.577,108 0.766,109 0.849,110 0.885,111 0.885,112 3.23,113 1.108,114 -4.61,115 -4.53,116 -4.26,117 39.1,118 1,119 6,120 3,121 1,133 3,134 2,135 1,145 1,156 3,159 1,160 17,163 3,164 4,167 3,172 26,176 6,184 29,185 2,188 8,193 2,196 22,197 2,203 8,208 2,211 14,212 2,216 8,221 2,224 8,225 2,228 8,233 2,236 4,237 2,240 8,245 2,248 2,252 6,257 2,261 2,264 666,265 15.513,266 15.513,267 15.513,268 15.513,269 15.513,270 14.321,271 18.446,272 8.497,273 15.539,274 13.298,275 13.298,276 13.298,277 13.298,278 13.298,279 11.307,280 17.459,281 3.991,282 13.342,283 4.017,284 2.186,285 1.093,286 0.614,287 0.408,288 0.408,289 3.92,291 1,292 1,293 1,294 482,295 3.674,297 39.024,298 117.194,301 63.921,302 129.47,303 1.726,304 34.374,306 1,307 1,308 1,309 1,310 1,311 0.5,312 1,313 1,314 0.93,315 53,316 221,317 4.686,318 5.035,319 7.865,320 4.641,321 3.634,322 4.444,323 3.302,324 14.565,325 3.657,326 4.645,327 4.093,328 6.741,329 4.152,330 3.163,331 3.967,332 2.178,333 10.956,334 3.129,335 4.344,336 3.369,337 6.455,338 4.062,339 3.061,340 3.74,342 10.192,343 3.061,344 3.717,345 2.881,346 6.007,347 3.468,348 2.474,349 2.966,351 8.305,352 2.459,353 3.343,354 2.681,355 5.358,356 3.049,357 2.069,358 2.491,360 6.553,361 2.021,362 3.03,363 2.284,364 5.03,365 2.858,366 1.864,367 2.143,369 5.477,370 1.848,371 2.896,372 2.074,373 4.776,374 2.688,375 1.654,376 1.881,378 4.505,379 1.702,380 2.602,381 1.774,382 4.403,383 2.39,384 1.38,385 1.606,387 3.893,388 1.389,389 2.202,390 1.497,391 3.762,392 2.049,393 1.046,394 1.171,396 2.638,397 1.048,398 1.749,399 1.135,400 3.442,401 1.645,402 0.642,403 0.693,405 1.533,406 0.643,407 1.337,408 0.816,409 3.166,410 1.073,411 0.095,412 0.11,414 0.257,415 0.091,416 1.06,417 0.57,418 3.018,419 0.816,420 -0.193,421 -0.22,423 -0.51,424 -0.194,425 1,426 0.181,427 2.707,428 0.695,429 -0.308,430 -0.336,432 -0.895,433 -0.309,434 0.844,435 -0.088,436 2.467,437 0.363,438 -0.639,439 -0.733,441 -1.817,442 -0.639,443 0.627,444 -0.233,445 2.454,446 0.091,447 -0.91,448 -1.083,450 -2.788,451 -0.909,452 11.5,453 0.479,454 0.98,455 0.041,456 26,457 1.083,458 11,459 0.458,460 15,461 0.625,462 25.96,463 1.082,464 27.5,465 0.598,466 17.167,467 0.715,468 3.881,469 0.162,470 7.396,471 0.308,472 0.159,473 0.116,474 0.304,476 0.515,477 1.2,478 0.779,479 1.322,480 0.676,481 1.008,482 0.23,483 0.967,484 0.683,485 0.918,486 0.231,487 0.986,488 0.587,489 1.062,490 0.769,491 0.961,492 0.528,493 1.098,494 0.607,495 1.169,496 0.929,497 1.104,498 0.612,499 1.22,500 0.633,501 0.931,502 0.756,503 0.864,504 0.62,505 0.971,506 0.743,507 0.863,508 0.791,509 0.838,510 0.698,511 0.856,512 1.237,513 0.948,514 1.111,515 0.991,516 1.188,517 0.909,518 1.86,519 1.115,520 1.479,521 1.192,522 1.801,523 1.067,524 7.5,525 0.166,526 4.222,527 2.667,528 1.933,529 0.92,530 0.746,531 0.375,532 0.284,533 0.166,534 5984,535 17886,536 2.064,537 47.8,538 16,539 3,542 1,543 2,547 1.668,548 1.87,549 3.145,550 -0.301,551 1,552 1,555 69.308,556 1.507,557 3.337,558 4.431,559 4.909,560 5.116,561 5.116,562 2.772,563 3.939,564 4.553,565 3.334,566 920.104,567 7.854,568 10249.6,570 1,572 1,573 254.084,574 1.815,575 4.472,576 0.278,577 0.017,578 0.098,579 0.061,580 0.051,581 0.031,582 0.031,583 0.019,584 0.019,585 0.014,586 0.617,587 0.33,588 1,589 1.045,590 112.011,591 0.112,592 -0.003,593 0.263,594 -0.082,595 -0.112,596 0.069,597 0.522,598 0.097,599 0.066,600 0.046,601 0.454,602 0.022,603 -0.019,604 -0.052,605 -0.042,606 -0.041,607 0.005,608 -0.08,609 -0.017,610 -0.186,611 -0.12,612 -0.169,613 0.004,614 -0.204,615 0.02,616 -0.019,617 0.076,618 0.008,619 0.011,620 0.027,621 0.014,622 0.048,623 0.142,624 0.073,625 -0.002,626 0.138,627 -0.132,628 0.008,629 -0.005,630 0.019,631 -0.127,632 0.059,633 -0.316,634 -0.136,635 -0.218,636 -0.12,637 -0.276,638 -0.146,639 5.407,640 5.331,641 0.708,642 20.292,643 1.009,644 1.12,645 3.381,646 11.429,647 0.659,648 3.332,649 3.784,650 4.078,651 4.407,652 4.673,653 4.868,654 5.106,655 5.303,656 5.425,657 5.476,658 5.507,659 0.621,660 350.47,661 3.332,662 4.949,663 5.838,664 6.783,665 7.693,666 8.64,667 9.56,668 10.506,669 11.434,670 12.38,687 3,692 3,694 6,707 46,709 9,710 1,711 27,712 49,713 18,714 6,715 3,716 3,718 4,719 10,723 1,724 1,725 1,726 6,727 3,728 6,730 7,731 11,732 3,734 3,736 1,738 3,741 1,743 1,744 1,747 22,748 5,749 1,750 6,751 1,758 0.25,759 5,771 1,772 3,775 1,776 2,777 1,789 1,791 1,793 1,794 1,797 24,800 1,801 1,802 6,804 1,806 3,808 1,815 10.9,816 1,818 3,820 1,822 12.833,823 8.283,824 4.861,825 3.033,827 1.47,828 1.189,829 0.95,830 3.65,831 9.266,832 3.526,833 4.151,834 4.514,835 5.013,836 5.475,837 5.757,838 6.141,839 6.496,840 6.686,841 6.885,842 1,843 44,844 9.409,846 4.621,847 8.014,848 17.439,850 16.159,853 2.514,854 60.333,857 1,858 247.193,859 72.252,862 117.099,864 3.043,865 69.209,866 364.293,868 8.825,869 15.207,870 70.568,871 74.591,872 20.16,874 247.193,876 247.193,877 69.209,878 117.099,879 3.043,880 247.193,881 78.003,882 39.096,884 24.032,885 45.177,886 3.043,888 247.193,889 117.099,890 72.252,892 3.043,893 247.193,894 31.955,895 37.254,897 117.099,898 247.193,899 117.099,900 72.252,901 0.619,902 0.347,903 0.186,904 0.099,905 25,906 11,907 0.041,908 2,909 3,910 1.353,911 3.443,912 214.167,913 0.353,914 17,915 108.039,917 1,918 16.259,919 5.387,920 2.649,922 117.099,923 5.279,928 2.52,930 39.096,931 436.545,932 33,934 -4.491,936 34.109,939 0.439,941 46.433,942 51.534,943 0.273,944 0.604,945 0.802,946 0.889,947 0.926,948 0.926,949 4.871,950 1.38,951 5.938,952 4.505,953 4.466,954 4.836,955 3.41,956 6.907,957 4.461,958 6.136,959 1.046,960 7.61,961 3.893,962 4.511,963 5.121,964 2.036,965 8.381,966 4.511,967 7.53,968 0.642,969 9.398,970 2.638,971 6.304,972 7.104,973 5.586,974 11.445,975 6.298,976 8.955,977 0.095,978 11.254,979 1.533,980 7.091,981 8.11,982 3.746,983 13.687,984 7.093,985 10.411,986 -0.193,987 13.155,988 0.257,989 8.491,990 9.725,991 7.906,992 16.424,993 8.49,994 11.885,995 -0.308,996 15.087,997 -0.51,998 9.563,999 10.993,1000 5.379,1001 18.936,1002 9.571,1003 13.374,1004 -0.639,1005 17.042,1006 -0.895,1007 10.848,1008 12.502,1009 10.268,1010 21.606,1011 10.859,1012 3.634,1013 -0.91,1014 19.016,1015 -1.817,1016 12.031,1017 13.874,1018 6.973,1019 24.216,1020 12.05,1021 3.163,1022 14.565,1023 21.005,1024 -2.788,1025 13.288,1026 15.35,1027 12.647,1028 26.878,1029 13.312,1030 3.061,1031 10.956,1032 23.006,1033 4.444,1034 14.516,1035 16.768,1036 8.548,1037 29.526,1038 14.548,1039 2.474,1040 10.192,1041 25.017,1042 3.967,1043 15.771,1044 18.235,1045 15.031,1046 32.192,1047 15.81,1048 2.069,1049 8.305,1050 27.037,1051 3.74,1052 17.02,1053 19.678,1054 10.114,1055 34.856,1056 17.067,1057 1.864,1058 6.553,1059 29.063,1060 2.966,1061 18.281,1062 21.145,1063 17.419,1064 37.527,1065 18.336,1066 1.654,1067 5.477,1068 31.095,1069 2.491,1070 19.542,1071 22.601,1072 11.675,1073 40.198,1074 19.605,1075 5780,1076 10230,1077 17.394,1078 30.296,1079 42.212,1080 45.944,1081 43.972,1082 42.146,1083 42.168,1084 50.424,1085 10.961,1086 137.748,1087 42.097,1088 5.686,1089 7.035,1090 7.144,1091 5.641,1092 5.634,1093 7.444,1094 6.604,1095 22.923,1096 5.657,1097 13.821,1098 1.563,1099 1.702,1100 1.629,1101 1.561,1102 1.562,1103 1.868,1104 0.406,1105 5.102,1106 1.559,1107 4.112,1108 4.138,1109 4.696,1110 4.045,1111 7.769,1112 4.036,1113 3.925,1114 3.917,1115 4.02,1116 3.83,1117 7.426,1118 3.809,1119 3.789,1120 3.715,1121 3.795,1122 3.701,1123 6.999,1124 3.585,1125 3.458,1126 3.492,1127 3.359,1128 3.345,1129 6.313,1130 3.326,1131 3.39,1132 3.463,1133 3.203,1134 3.258,1135 4.782,1136 3.235,1137 3.15,1138 3.24,1139 2.942,1140 2.998,1141 4.35,1142 2.974,1143 2.974,1144 3.045,1145 2.812,1146 2.804,1147 4.088,1148 2.788,1149 2.816,1150 2.861,1151 2.668,1152 2.653,1153 3.85,1154 2.648,1155 0.174,1156 0.186,1157 0.291,1158 0.172,1159 0.135,1160 4.686,1161 0.165,1162 5.035,1163 0.122,1164 7.865,1165 0.539,1166 4.641,1167 0.135,1168 3.634,1169 4.444,1170 3.302,1171 14.565,1172 3.657,1173 2.051,1174 2.026,1175 2.182,1176 2.134,1177 1.612,1178 2.152,1179 1.79,1180 1.771,1181 1.931,1182 1.906,1183 1.221,1184 1.921,1185 1.595,1186 1.581,1187 1.818,1188 1.769,1189 1.14,1190 1.788,1191 1.466,1192 1.521,1193 1.665,1194 1.679,1195 0.925,1196 1.713,1197 1.358,1198 1.317,1199 1.592,1200 1.541,1201 0.835,1202 1.579,1203 1.277,1204 1.218,1205 1.304,1206 1.47,1207 0.599,1208 1.513,1209 0.988,1210 0.918,1211 1.215,1212 1.205,1213 0.403,1214 1.24,1215 0.853,1216 0.768,1217 1.042,1218 1.102,1219 0.256,1220 1.142,1221 4.007,1222 5.425,1223 2.398,1224 7.034,1225 4.844,1226 8.735,1227 7.034,1228 10.487,1229 2.155,1233 8.837,1234 5.573,1236 4.586,1238 1.458,1240 -0.132,1243 28.556,1244 69.308,1245 153.515,1246 203.819,1247 225.819,1248 235.329,1249 235.329,1250 51.096,1251 7.796,1252 80.67,1253 89.05,1254 23,1255 12.875,1256 3.322,1257 2.807,1258 33.946,1259 81,1260 72,1261 0.22,1262 173.262,1263 311.52,1264 414.518,1265 23965,1267 17.113,1268 0.713,1269 0.605,1270 17.363,1271 14.512,1272 11.278,1273 0.418,1274 0.369,1275 8.646,1276 10.216,1277 8.33,1278 6.794,1279 12.204,1280 9.973,1281 11.902,1282 0.277,1283 0.203,1284 13.285,1285 8.727,1286 9.438,1287 0.163,1288 0.121,1289 9.889,1290 7.012,1291 8.265,1292 0.102,1293 0.072,1294 8.79,1295 5.85,1296 6.714,1297 0.063,1298 0.042,1299 7.075,1300 4.472,1301 0.337,1302 79.773,1303 0.24,1304 22.928,1305 0.63,1306 140,1307 401.952,1308 184.467,1309 401.529,1310 533.09,1311 364,1312 171,1313 359.293,1314 223.132,1315 401.902,1316 587.53,1317 375,1318 5.509}
{0 CHEMBL507674,1 1.938,2 15.386,3 -0.28,4 0.079,5 160.21,6 9.095,7 0.229,8 4.405,9 4.509,10 4.166,11 3.891,12 5.656,13 3.895,14 4.932,15 5.082,16 4.567,17 4.289,18 6.219,19 4.267,20 5.173,21 5.33,22 4.713,23 4.472,24 6.494,25 4.434,26 5.318,27 5.482,28 4.728,29 4.497,30 6.672,31 4.459,32 5.33,33 5.498,34 4.742,35 4.412,36 6.884,37 4.403,38 5.242,39 5.428,40 4.636,41 4.393,42 6.534,43 4.377,44 5.232,45 5.377,46 4.753,47 4.437,48 6.718,49 4.444,50 5.314,51 5.48,52 4.732,53 4.459,54 6.89,55 4.444,56 0.394,57 1.18,58 11.15,59 6.27,60 42.53,61 6.549,62 0.947,63 1.85,64 30.408,65 10.521,66 82.192,67 12.054,68 1.305,69 2.147,70 35.52,71 13.714,72 157.644,73 15.516,74 1.596,75 2.266,76 53.128,77 16.51,78 230.075,79 16.848,80 2.201,81 2.112,82 48.341,83 14.764,84 351.337,85 15.898,86 1.621,87 2.087,88 47.578,89 13.793,90 212.047,91 15.8,92 1.618,93 2.17,94 37.784,95 12.759,96 212.64,97 13.826,98 2.08,99 2.189,100 48.878,101 15.053,102 291.852,103 16.905,104 105,105 70,106 0.3,107 0.663,108 0.838,109 0.893,110 0.893,111 0.893,112 3.81,113 0.957,114 -2.1,115 -2.15,116 -2.13,117 35.2,118 1,122 1,123 5,125 2,126 1,129 1,131 1,133 4,134 1,135 1,147 5,148 1,151 1,155 3,156 1,159 1,160 4,163 7,164 5,165 1,167 4,169 3,172 6,173 1,175 5,176 4,179 4,180 1,181 7,184 2,187 1,188 10,189 1,191 1,193 5,196 1,197 2,202 7,203 13,206 5,208 5,209 1,215 2,216 10,217 2,219 3,220 2,221 1,224 1,227 5,228 12,229 3,231 4,232 1,233 2,236 2,239 11,240 12,243 7,245 1,246 1,247 3,248 1,251 2,252 6,255 3,256 1,257 1,260 3,261 2,264 4426,265 29.129,266 29.129,267 29.129,268 29.129,269 29.129,270 26.711,271 35.303,272 16.518,273 29.96,274 23.475,275 23.475,276 23.475,277 23.475,278 23.475,279 19.512,280 34.372,281 7.614,282 24.772,283 4.211,284 1.873,285 0.747,286 0.387,287 0.387,288 0.387,289 4.502,294 1451,295 4.899,296 96.743,297 143.743,298 485.929,300 199.343,303 2.222,304 89.879,307 0.5,308 0.67,309 0.5,310 0.8,311 1,312 0.5,313 0.5,314 0.64,315 100.5,316 677,317 4.611,318 4.622,319 7.226,320 4.385,321 3.442,322 3.936,323 3.454,324 12.763,325 3.244,326 4.351,327 4.45,328 6.673,329 4.117,330 3.145,331 3.811,332 3.264,333 10.561,334 3.048,335 4.227,336 4.03,337 6.474,338 3.969,339 2.981,340 3.724,341 2.09,342 10.011,343 2.939,344 4.189,345 3.859,346 6.357,347 3.761,348 2.835,349 3.6,350 1.977,351 9.531,352 2.702,353 4.053,354 3.76,355 6.034,356 3.687,357 2.734,358 3.314,359 1.721,360 8.584,361 2.519,362 3.804,363 3.605,364 5.924,365 3.474,366 2.516,367 3.106,368 1.437,369 8.075,370 2.402,371 3.682,372 3.538,373 5.263,374 3.344,375 2.374,376 2.868,377 1.2,378 6.451,379 2.295,380 3.281,381 3.134,382 5.121,383 2.976,384 2.027,385 2.485,386 1.062,387 5.833,388 1.906,389 3.276,390 2.989,391 4.981,392 2.888,393 1.908,394 2.356,395 0.815,396 5.425,397 1.855,398 3.122,399 2.829,400 4.943,401 2.838,402 1.842,403 2.149,404 0.701,405 5.218,406 1.811,407 2.863,408 2.76,409 4.841,410 2.511,411 1.605,412 1.847,413 0.417,414 4.7,415 1.42,416 2.721,417 2.495,418 4.712,419 2.417,420 1.46,421 1.76,422 0.293,423 4.279,424 1.384,425 2.655,426 2.431,427 4.249,428 2.323,429 1.393,430 1.604,431 0.145,432 3.648,433 1.28,434 2.559,435 2.306,436 4.132,437 2.238,438 1.299,439 1.581,440 0.098,441 3.619,442 1.187,443 2.5,444 1.995,445 3.742,446 2.09,447 1.122,448 1.5,450 2.429,451 1.081,452 20.433,453 0.464,454 1.334,455 0.03,456 51.5,457 1.17,458 21.5,459 0.489,460 30,461 0.682,462 47.883,463 1.088,464 49.167,465 0.692,466 52.488,467 1.193,468 10.054,469 0.229,470 10.956,471 0.249,472 0.179,474 0.421,476 0.752,477 1.339,478 0.69,479 0.978,480 0.618,481 0.903,482 0.562,483 1.162,484 0.988,485 1.135,486 0.496,487 0.94,488 0.789,489 1.027,490 0.875,491 1.008,492 0.827,493 1.001,494 1.198,495 1.175,496 1.201,497 1.228,498 1.183,499 1.12,500 1.17,501 0.957,502 0.908,503 0.926,504 1.282,505 0.966,506 1.109,507 0.952,508 0.951,509 0.916,510 1.168,511 0.847,512 1.107,513 1.145,514 0.941,515 1.007,516 1.128,517 0.985,518 0.897,519 0.919,520 1.017,521 1.001,522 0.961,523 0.97,524 9,525 0.461,526 6.667,527 4.694,528 3.276,529 2.163,530 1.401,531 1.211,532 0.956,533 0.7,534 33077,535 119714,536 2.017,537 38,539 19,540 1,542 4,544 3,547 1.826,548 1.833,549 3.841,550 1.557,555 137.624,556 1.938,557 4.277,558 5.403,559 5.762,560 5.762,561 5.762,562 3.338,563 5.124,564 5.428,565 4.07,566 3850.09,567 9.639,568 71161.4,573 436.632,574 1.544,575 5.36,576 0.188,577 0.008,578 0.098,579 0.063,580 0.045,581 0.03,582 0.02,583 0.015,584 0.012,585 0.011,586 0.489,587 0.17,588 0.63,589 0.813,590 254.955,591 -0.081,592 -0.096,593 0.037,594 0.029,595 -0.048,596 0.014,597 0.153,598 0.027,599 0.01,600 -0.03,601 0.102,602 0.03,603 0.052,604 0.05,605 0.048,606 0.023,607 0.001,608 -0.015,609 -0.199,610 -0.15,611 -0.126,612 -0.138,613 -0.126,614 -0.127,615 0.011,616 -0.018,617 0.056,618 0.021,619 0.014,620 -0.015,621 -0.115,622 0.028,623 0.046,624 0.073,625 -0.139,626 0.143,627 -0.067,628 -0.088,629 -0.043,630 -0.047,631 -0.044,632 -0.069,633 0.171,634 0.078,635 -0.029,636 -0.008,637 0.161,638 -0.009,639 2.961,640 6.56,641 0.568,642 58.917,643 1.037,644 1.137,645 0.872,646 0.76,647 0.674,648 3.892,649 4.263,650 4.585,651 4.828,652 5.024,653 5.142,654 5.308,655 5.398,656 5.537,657 5.687,658 8.99,659 0.662,660 645.75,661 3.892,662 5.468,663 6.347,664 7.251,665 8.148,666 9.057,667 9.963,668 10.876,669 11.789,670 12.706,671 12.7,678 5,679 1,681 3,687 4,688 3,692 3,693 1,694 11,704 1,707 71,708 1,709 18,710 1,711 48,712 75,713 25,714 7,715 2,716 4,717 5,718 5,719 6,722 1,723 1,726 1,728 2,730 15,731 10,734 7,738 6,741 8,747 27,748 16,749 4,750 19,751 2,753 9,756 1,758 0.8,759 8,770 1,771 1,772 3,774 1,779 1,780 2,781 1,783 1,784 1,789 1,791 4,792 2,793 2,794 2,797 44,801 2,802 5,803 2,805 2,806 3,807 3,815 11.3,817 2,818 6,822 24,823 13.217,824 9.639,825 4.046,827 1.659,828 1.195,829 0.926,830 9.743,831 10.182,832 4.119,833 4.652,834 5.134,835 5.536,836 5.826,837 5.922,838 6.227,839 6.447,840 6.635,841 6.891,842 1,843 75,844 16.648,846 7.662,847 8.261,848 29.831,850 24.797,853 2.761,854 121.5,858 270.735,859 161.507,860 96.915,862 236.236,864 64.439,865 97.068,866 506.972,867 96.915,868 17.222,869 53.511,870 37.905,871 308.465,872 8.841,873 16.047,874 323.403,876 270.735,877 193.983,878 236.236,879 64.439,880 235.422,881 271.55,884 64.806,885 76.677,886 52.501,887 64.439,888 270.735,889 333.151,890 161.507,893 270.735,894 106.381,895 66.276,896 36.022,897 285.98,898 270.735,899 333.151,900 161.507,901 0.595,902 0.365,903 0.192,904 0.098,905 33,906 18,907 0.12,908 9,909 1,910 1.08,911 5.044,912 465.529,913 0.08,914 25,915 236.215,916 2,918 32.093,919 13.357,920 6.427,922 331.375,923 5.358,924 11.154,928 0.592,929 1.437,930 121.388,931 765.394,932 60.5,936 77.004,939 -5.322,941 73.64,942 80.737,943 0.315,944 0.695,945 0.879,946 0.937,947 0.937,948 0.937,949 5.411,950 2.027,951 6.368,952 6.451,953 4.949,954 5.34,955 4.341,956 7.245,957 4.851,958 6.614,959 1.908,960 7.979,961 5.833,962 4.691,963 5.231,964 2.595,965 8.293,966 4.571,967 7.936,968 1.842,969 9.69,970 5.425,971 6.624,972 7.406,973 6.372,974 11.451,975 6.435,976 9.288,977 1.605,978 11.459,979 5.218,980 7.186,981 8.089,982 4.22,983 13.34,984 6.972,985 10.674,986 1.46,987 13.266,988 4.7,989 8.616,990 9.766,991 8.705,992 16.043,993 8.34,994 12.08,995 1.393,996 15.1,997 4.279,998 9.529,999 10.783,1000 5.744,1001 18.282,1002 9.219,1003 13.503,1004 1.299,1005 16.953,1006 3.648,1007 10.786,1008 12.274,1009 11.112,1010 20.845,1011 10.42,1012 3.442,1013 1.122,1014 18.822,1015 3.619,1016 11.852,1017 13.444,1018 7.31,1019 23.239,1020 11.444,1021 3.145,1022 12.763,1023 20.704,1024 2.429,1025 13.054,1026 14.855,1027 13.54,1028 25.762,1029 12.592,1030 2.981,1031 10.561,1032 22.597,1033 3.936,1034 14.19,1035 16.101,1036 9.064,1037 28.228,1038 13.678,1039 2.835,1040 10.011,1041 24.498,1042 3.811,1043 15.379,1044 17.476,1045 15.977,1046 30.748,1047 14.814,1048 2.734,1049 9.531,1050 26.407,1051 3.724,1052 16.548,1053 18.762,1054 11.136,1055 33.249,1056 15.929,1057 2.516,1058 8.584,1059 28.323,1060 3.6,1061 17.74,1062 20.121,1063 18.418,1064 35.773,1065 17.065,1066 2.374,1067 8.075,1068 30.244,1069 3.314,1070 18.928,1071 21.43,1072 13.494,1073 38.293,1074 18.196,1075 31569,1076 60294,1077 30.865,1078 47.835,1079 74.514,1080 82.621,1081 77.945,1082 73.045,1083 72.883,1084 88.7,1085 37.347,1086 219.708,1087 69.32,1088 5.611,1089 6.622,1090 6.766,1091 5.555,1092 5.442,1093 6.936,1094 6.907,1095 20.763,1096 5.244,1097 29.273,1098 1.552,1099 1.721,1100 1.624,1101 1.522,1102 1.518,1103 1.848,1104 0.778,1105 4.577,1106 1.444,1107 4.021,1108 4.053,1109 4.142,1110 3.911,1111 7.501,1112 3.904,1113 3.924,1114 3.953,1115 3.982,1116 3.842,1117 7.475,1118 3.83,1119 3.859,1120 3.918,1121 3.901,1122 3.636,1123 7.434,1124 3.672,1125 3.83,1126 3.896,1127 3.804,1128 3.59,1129 7.426,1130 3.591,1131 3.609,1132 3.644,1133 3.568,1134 3.407,1135 7.422,1136 3.44,1137 3.507,1138 3.558,1139 3.47,1140 3.291,1141 7.351,1142 3.314,1143 3.387,1144 3.437,1145 3.39,1146 3.189,1147 6.471,1148 3.191,1149 3.217,1150 3.215,1151 3.315,1152 2.991,1153 6.351,1154 2.985,1155 0.096,1156 0.096,1157 0.151,1158 0.091,1159 0.072,1160 4.611,1161 0.082,1162 4.622,1163 0.072,1164 7.226,1165 0.266,1166 4.385,1167 0.068,1168 3.442,1169 3.936,1170 3.454,1171 12.763,1172 3.244,1173 1.923,1174 1.899,1175 2.02,1176 2.066,1177 1.313,1178 2.05,1179 1.875,1180 1.854,1181 1.931,1182 2.018,1183 1.189,1184 2.002,1185 1.755,1186 1.704,1187 1.921,1188 1.979,1189 1.151,1190 1.969,1191 1.567,1192 1.533,1193 1.727,1194 1.788,1195 0.995,1196 1.775,1197 1.471,1198 1.409,1199 1.701,1200 1.741,1201 0.918,1202 1.724,1203 1.431,1204 1.36,1205 1.66,1206 1.678,1207 0.761,1208 1.679,1209 1.336,1210 1.283,1211 1.513,1212 1.566,1213 0.672,1214 1.561,1215 1.077,1216 1.056,1217 1.227,1218 1.4,1219 0.54,1220 1.347,1221 4.575,1222 5.953,1223 2.398,1224 7.532,1225 4.595,1226 9.206,1227 6.529,1228 10.933,1229 3.344,1233 19.68,1234 0.826,1235 5.063,1237 2.486,1238 -3.251,1239 3.129,1243 47.026,1244 137.624,1245 303.657,1246 383.612,1247 409.122,1248 409.122,1249 409.122,1250 163.655,1251 8.523,1252 220.26,1253 270.86,1254 27,1255 13.217,1256 4.248,1257 3.755,1258 73.799,1259 235,1260 242,1261 0.149,1262 293.864,1263 532.12,1264 708.787,1265 63753,1267 31.706,1268 0.721,1269 0.568,1270 32.413,1271 25.001,1272 21.01,1273 0.438,1274 0.319,1275 13.152,1276 18.899,1277 12.735,1278 10.431,1279 21.918,1280 15.305,1281 19.406,1282 0.277,1283 0.17,1284 20.481,1285 11.89,1286 16.963,1287 0.175,1288 0.099,1289 18.443,1290 9.633,1291 13.786,1292 0.111,1293 0.057,1294 15.466,1295 7.125,1296 10.586,1297 0.07,1298 0.034,1299 12.389,1300 5.096,1301 0.236,1302 144.259,1303 0.18,1304 38.668,1305 0.405,1306 236,1307 888.615,1308 319.431,1309 872.742,1310 1146.09,1311 806,1312 285,1313 789.909,1314 366.461,1315 804.966,1316 1189.59,1317 752,1318 5.724}
{0 CHEMBL510139,1 1.468,2 6,3 0.551,4 0.303,5 64.966,6 7.821,8 3.577,9 3.655,10 3.145,11 3.075,12 4.837,13 3.083,14 4.098,15 4.233,16 3.569,17 3.479,18 5.4,19 3.479,20 4.367,21 4.492,22 3.781,23 3.688,24 5.653,25 3.695,26 4.567,27 4.703,28 3.816,29 3.723,30 6.211,31 3.697,32 4.553,33 4.766,34 3.456,35 3.553,36 5.783,37 3.472,38 4.416,39 4.642,40 2.96,41 3.094,42 5.776,43 3.004,44 3.79,45 4.07,46 2.234,47 2.45,48 4.939,49 2.338,50 3.087,51 3.295,52 1.611,53 1.754,54 4.515,55 1.71,56 0.131,57 0.401,58 6.153,59 3.278,60 20.545,61 3.617,62 0.324,63 0.647,64 11.943,65 5.369,66 56.143,67 6.43,68 0.363,69 0.83,70 15.519,71 6.813,72 52.925,73 7.911,74 0.953,75 0.941,76 20.565,77 7.782,78 169.492,79 9.493,80 0.528,81 0.903,82 22.008,83 7.654,84 83.143,85 10.17,86 1.078,87 0.656,88 22.57,89 5.444,90 154.04,91 7.092,92 0.431,93 0.35,94 12.503,95 2.984,96 71.432,97 4.238,98 0.257,99 0.159,100 5.84,101 1.279,102 44.624,103 1.526,104 51,105 29,106 0.28,107 0.655,108 0.82,109 0.868,110 0.868,111 0.868,112 2.964,113 0.891,114 -3.13,115 -3.13,116 -3.01,117 40.6,118 3,120 1,125 1,129 4,130 1,131 1,145 1,147 1,156 1,159 1,160 5,161 1,164 6,167 1,169 3,172 8,176 3,177 1,181 2,182 1,184 8,185 2,187 2,188 6,191 3,192 1,193 4,196 4,197 2,203 5,204 1,208 3,211 2,212 1,215 1,216 2,219 2,221 2,224 1,225 1,228 1,233 1,237 1,240 1,245 1,264 260,265 11.312,266 11.312,267 11.312,268 11.312,269 11.312,270 10.281,271 13.855,272 6.17,273 11.449,274 9.23,275 9.23,276 9.23,277 9.23,278 9.23,279 7.567,280 15.308,281 2.802,282 9.435,283 3.532,284 1.564,285 0.696,286 0.446,287 0.446,288 0.446,289 3.599,292 1,293 1,294 217,295 2.646,298 80.687,302 69.498,303 1,304 35.433,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 1,315 41,316 108,317 4.732,318 3.841,319 7.122,320 4.38,321 3.382,322 4.27,323 1.437,324 12.238,325 3.373,326 4.115,327 3.442,328 6.49,329 3.826,330 2.84,331 3.431,332 0.86,333 9.828,334 2.798,335 3.738,336 3.179,337 5.869,338 3.352,339 2.357,340 2.989,342 7.661,343 2.336,344 3.433,345 2.837,346 5.628,347 3.219,348 2.239,349 2.482,351 6.94,352 2.179,353 3.025,354 2.285,355 4.684,356 2.591,357 1.623,358 2.034,360 4.305,361 1.55,362 2.694,363 1.945,364 4.157,365 2.28,366 1.322,367 1.601,369 3.31,370 1.242,371 2.088,372 1.45,373 3.697,374 1.681,375 0.69,376 0.863,378 1.69,379 0.673,380 1.28,381 0.811,382 3.13,383 1.033,384 0.082,385 0.084,387 0.183,388 0.077,389 1.106,390 0.513,391 2.726,392 0.916,393 -0.066,394 -0.078,396 -0.175,397 -0.064,398 0.824,399 0.327,400 2.276,401 0.538,402 -0.457,403 -0.572,405 -1.109,406 -0.446,407 0.429,408 -0.008,409 2,410 -0.009,411 -1,412 -1.269,414 -2,415 -0.97,416 0.157,417 -0.726,418 1.759,419 -0.204,420 -1.176,421 -1.349,423 -2.974,424 -1.103,425 -0.139,426 -0.928,427 1.506,428 -0.369,429 -1.339,430 -1.388,432 -3.59,433 -1.257,434 -0.25,435 -1.125,436 1.453,437 -0.429,438 -1.395,439 -1.451,441 -3.98,442 -1.382,443 -0.377,444 -1.297,445 1.317,446 -0.546,447 -1.558,448 -1.955,450 -4.76,451 -1.608,452 8.167,453 0.454,454 0.728,455 0.04,456 18.5,457 1.028,458 7.5,459 0.417,460 11,461 0.611,462 16.608,463 0.923,464 20.633,465 0.645,466 14.484,467 0.805,468 3.728,469 0.207,470 4.63,471 0.257,472 0.347,474 0.551,476 0.82,477 1.097,478 0.774,479 1.074,480 0.766,481 0.941,482 0.638,483 0.917,484 0.594,485 0.895,486 0.473,487 0.762,488 0.91,489 1.142,490 0.8,491 1.112,492 0.757,493 0.957,494 0.7,495 1.194,496 0.996,497 1.214,498 0.652,499 1.205,500 0.839,501 1.309,502 1.009,503 1.31,504 0.879,505 1.233,506 1.424,507 0.712,508 1.349,509 0.739,510 1.584,511 0.965,512 1.277,513 0.622,514 1.035,515 0.62,516 1.315,517 0.723,518 2.062,519 0.74,520 1.639,521 0.745,522 2.349,523 0.994,524 4,526 3.111,527 2.5,528 2.111,529 0.729,530 0.283,531 0.118,534 2009,535 7228,536 1.871,537 43.8,538 6,539 1,540 1,542 2,544 4,547 1.598,548 1.636,549 2.601,550 0.429,552 1,554 1,555 46.982,556 1.468,557 3.436,558 4.304,559 4.554,560 4.554,561 4.554,562 2.241,563 3.281,564 4.145,565 2.681,566 410.196,567 7.089,568 3728.89,570 1,573 160,574 1.382,575 4.017,576 0.211,578 0.107,579 0.071,580 0.066,581 0.035,582 0.028,583 0.024,586 0.542,587 0.67,588 1,589 0.993,590 72.908,591 -0.108,592 0.071,593 -0.016,594 0.076,595 -0.119,596 0.063,597 0.083,598 0.174,599 0.245,600 0.194,601 0.145,602 0.258,603 -0.094,604 -0.063,605 0.05,606 -0.042,607 -0.034,608 0.033,609 0.284,610 -0.177,611 -0.079,612 -0.209,613 0.32,614 -0.252,615 -0.036,616 -0.364,617 -0.05,618 -0.349,619 -0.035,620 -0.232,621 -0.111,622 0.118,623 -0.215,624 0.089,625 -0.249,626 -0.061,627 -0.186,628 0.179,629 0.11,630 0.206,631 -0.181,632 0.246,633 -0.536,634 0.065,635 -0.464,636 0.043,637 -0.532,638 -0.143,639 3.094,640 5.028,641 0.556,642 9.506,643 1.026,644 1.124,645 1.904,646 3.626,647 0.644,648 2.996,649 3.401,650 3.738,651 4.007,652 4.205,653 4.234,654 4.248,655 4.111,656 3.85,657 3.367,658 3.809,659 0.633,660 250.27,661 2.996,662 4.575,663 5.468,664 6.392,665 7.305,666 8.231,667 9.15,668 10.076,669 10.998,670 11.924,707 32,709 5,711 19,712 33,713 13,717 8,718 2,719 3,723 3,726 1,727 1,728 1,730 8,731 5,732 1,734 5,738 2,739 1,741 7,744 1,747 14,748 5,749 2,750 5,758 0.5,759 5,772 2,776 1,777 1,781 1,783 1,784 4,789 2,790 1,791 1,794 3,797 18,801 2,804 1,806 2,815 15.6,817 2,818 2,819 1,822 11,823 6.65,824 3.917,825 1.926,827 1.368,828 1.219,829 0.868,830 3.07,831 7.614,832 3.219,833 3.807,834 4.382,835 4.868,836 5.247,837 5.476,838 5.684,839 5.717,840 5.62,841 5.525,842 1,843 35,844 6.742,846 3.048,847 8.38,848 12.09,850 10,853 2.88,854 51.833,858 141.253,859 56.795,862 146.656,865 56.795,866 287.91,868 26.476,869 11.534,871 152.7,872 12.742,873 11.771,874 129.482,876 141.253,877 56.795,878 146.656,880 94.169,881 182.741,882 11,884 26.476,885 30.32,888 141.253,889 146.656,890 56.795,893 141.253,894 18.786,895 38.01,897 146.656,898 141.253,899 146.656,900 56.795,901 0.612,902 0.389,903 0.208,904 0.107,905 15,906 9,907 0.03,908 1,909 1,910 1.2,911 2.697,912 135.608,913 0.2,914 10,915 75.059,918 12.9,919 4.284,920 1.806,922 146.656,930 85.367,931 344.705,932 24,936 23.04,937 1.293,939 -1.827,941 32.822,942 35.953,943 0.294,944 0.687,945 0.861,946 0.911,947 0.911,948 0.911,949 4.533,950 0.082,951 5.533,952 1.69,953 4.078,954 4.489,955 1.888,956 6.469,957 4.043,958 5.793,959 -0.066,960 7.194,961 0.183,962 4.007,963 4.575,965 7.633,966 3.981,967 7.159,968 -0.457,969 8.952,970 -0.175,971 5.802,972 6.676,973 2.362,974 10.797,975 5.755,976 8.556,977 -1,978 10.762,979 -1.109,980 6.479,981 7.518,983 12.72,984 6.443,985 9.985,986 -1.176,987 12.604,988 -2,989 7.85,990 9.19,991 2.965,992 15.451,993 7.801,994 11.435,995 -1.339,996 14.466,997 -2.974,998 8.834,999 10.361,1001 17.693,1002 8.792,1003 12.902,1004 -1.395,1005 16.345,1006 -3.59,1007 10.077,1008 11.884,1009 3.635,1010 20.273,1011 10.027,1012 3.382,1013 -1.558,1014 18.235,1015 -3.98,1016 11.187,1017 13.203,1019 22.657,1020 11.142,1021 2.84,1022 12.238,1023 20.136,1024 -4.76,1025 12.394,1026 14.672,1027 4.335,1028 25.183,1029 12.345,1030 2.357,1031 9.828,1032 22.044,1033 4.27,1034 13.559,1035 16.06,1037 27.63,1038 13.511,1039 2.239,1040 7.661,1041 23.959,1042 3.431,1043 14.76,1044 17.512,1045 5.05,1046 30.137,1047 14.71,1048 1.623,1049 6.94,1050 25.88,1051 2.989,1052 15.949,1053 18.931,1055 32.613,1056 15.898,1057 1.322,1058 4.305,1059 27.805,1060 2.482,1061 17.152,1062 20.378,1063 5.77,1064 35.115,1065 17.1,1066 0.69,1067 3.31,1068 29.735,1069 2.034,1070 18.353,1071 21.812,1073 37.604,1074 18.3,1075 2186,1076 4235,1077 11.274,1078 20.602,1079 30.002,1080 31.51,1081 32.707,1082 29.061,1083 29.072,1084 35.506,1085 4.593,1086 92.307,1087 28.457,1088 5.673,1089 5.841,1090 6.393,1091 5.461,1092 5.382,1093 7.089,1094 2.873,1095 20.238,1096 5.373,1097 12.459,1098 1.579,1099 1.658,1100 1.721,1101 1.53,1102 1.53,1103 1.869,1104 0.242,1105 4.858,1106 1.498,1107 4.018,1108 4.026,1109 3.984,1110 3.934,1111 7.48,1112 3.944,1113 3.631,1114 3.653,1115 3.553,1116 3.474,1117 7.422,1118 3.484,1119 3.326,1120 3.37,1121 3.209,1122 3.148,1123 6.466,1124 3.153,1125 3.26,1126 3.276,1127 3.176,1128 3.071,1129 6.35,1130 3.088,1131 3.122,1132 3.226,1133 2.853,1134 2.909,1135 4.76,1136 2.878,1137 2.885,1138 2.892,1139 2.767,1140 2.492,1141 4.207,1142 2.568,1143 2.698,1144 2.718,1145 2.544,1146 2.346,1147 3.942,1148 2.372,1149 2.44,1150 2.52,1151 2.199,1152 2.137,1153 3.722,1154 2.16,1155 0.249,1156 0.202,1157 0.375,1158 0.231,1159 0.178,1160 4.732,1161 0.225,1162 3.841,1163 0.076,1164 7.122,1165 0.644,1166 4.38,1167 0.178,1168 3.382,1169 4.27,1170 1.437,1171 12.238,1172 3.373,1173 1.962,1174 1.953,1175 2.06,1176 2.069,1177 1.333,1178 2.063,1179 1.582,1180 1.552,1181 1.782,1182 1.77,1183 0.953,1184 1.767,1185 1.291,1186 1.244,1187 1.583,1188 1.523,1189 0.671,1190 1.535,1191 1.174,1192 1.154,1193 1.534,1194 1.433,1195 0.592,1196 1.475,1197 1.159,1198 1.058,1199 1.32,1200 1.401,1201 0.337,1202 1.382,1203 0.674,1204 0.664,1205 0.952,1206 1.124,1207 0.12,1208 1.055,1209 0.56,1210 0.508,1211 0.891,1212 0.939,1214 0.899,1215 0.357,1216 0.306,1217 0.671,1218 0.738,1220 0.754,1221 3.664,1222 5.043,1224 6.64,1226 8.344,1228 10.105,1229 5.349,1233 18.849,1236 5.327,1238 -0.197,1243 20.262,1244 46.982,1245 109.946,1246 137.735,1247 145.735,1248 145.735,1249 145.735,1250 52.132,1251 6.246,1252 83.83,1253 83.83,1254 12,1255 12.429,1256 2.585,1257 2.585,1258 30.583,1259 44,1260 34,1261 0.403,1262 126.028,1263 239.49,1264 299.269,1265 3002,1267 13.61,1268 0.756,1269 0.575,1270 13.61,1271 10.351,1272 8.358,1273 0.44,1274 0.297,1275 5.552,1276 7.954,1277 5.322,1278 4.423,1279 8.358,1280 5.642,1281 8.054,1282 0.278,1283 0.157,1284 8.054,1285 4.558,1286 7.05,1287 0.172,1288 0.086,1289 7.05,1290 3.532,1291 5.842,1292 0.108,1293 0.043,1294 5.842,1295 2.312,1296 4.275,1297 0.065,1298 0.022,1299 4.275,1300 1.484,1301 0.576,1302 53.365,1303 0.298,1304 17.09,1305 1.294,1306 96,1307 351.506,1308 108.179,1309 327.161,1310 426.15,1311 300,1312 118,1313 297.788,1314 129.628,1315 298.413,1316 441.61,1317 279,1318 4.812}
{0 CHEMBL52333,1 1.476,2 8.538,3 3.522,4 12.403,5 97.256,6 6.602,7 0.167,8 4.091,9 4.227,10 3.575,11 3.602,12 4.991,13 3.564,14 4.756,15 4.954,16 4.046,17 4.125,18 5.603,19 4.054,20 5.101,21 5.344,22 4.134,23 4.283,24 5.953,25 4.179,26 5.17,27 5.443,28 4.102,29 4.19,30 6.193,31 4.101,32 4.964,33 5.205,34 3.961,35 4.084,36 5.997,37 4.009,38 4.885,39 5.106,40 3.865,41 4.036,42 5.877,43 3.96,44 4.899,45 5.123,46 3.831,47 4.054,48 5.856,49 3.954,50 4.945,51 5.198,52 3.555,53 4.007,54 5.839,55 3.844,56 0.032,57 0.84,58 13.079,59 5.099,60 5.282,61 7.496,62 0.353,63 1.478,64 26.4,65 9.781,66 21.473,67 14.419,68 0.316,69 1.848,70 37.866,71 12.678,72 31.557,73 19.449,74 0.781,75 1.804,76 42.332,77 10.998,78 92.4,79 18.11,80 0.5,81 1.549,82 34.142,83 9.202,84 66,85 14.703,86 0.466,87 1.457,88 31.523,89 8.544,90 54.36,91 13.42,92 0.368,93 1.44,94 31.54,95 9.706,96 44.351,97 14.617,98 0.446,99 1.349,100 33.228,101 10.985,102 59.214,103 15.947,104 25,105 47,106 0.247,107 0.466,108 0.666,109 0.757,110 0.792,111 0.811,112 3.306,113 1.031,114 -4.73,115 -4.65,116 -4.37,117 37,118 2,119 7,120 3,121 1,123 2,137 1,144 1,147 1,148 1,150 1,160 13,163 4,164 3,167 2,169 1,172 17,175 3,176 5,181 3,184 8,187 2,188 10,191 3,193 5,202 1,203 13,208 2,216 14,221 1,224 2,228 13,233 1,236 7,240 6,247 12,252 1,260 12,264 772,265 17.806,266 17.806,267 17.806,268 17.806,269 17.806,270 17.102,271 20.652,272 10.116,273 18.072,274 14.742,275 14.742,276 14.742,277 14.742,278 14.742,279 13.414,280 25.872,281 4.623,282 15.182,283 4.279,284 2.978,285 1.784,286 1.241,287 1.028,288 0.917,289 4.012,291 1,292 1,293 1,294 500,295 3.464,297 147.35,298 183.572,299 141.69,300 78.288,301 93.053,303 1.266,304 29.465,306 1,307 1,308 1,309 1,310 0.8,311 0.5,312 1,313 1,314 0.9,315 56,316 222,317 4.79,318 3.996,319 7.999,320 4.694,321 3.704,322 4.257,323 1.761,324 15.342,325 3.672,326 4.51,327 3.835,328 6.989,329 4.259,330 3.305,331 3.704,332 1.083,333 11.824,334 3.146,335 3.853,336 3.39,337 6.08,338 3.561,339 2.602,340 3.105,341 0.526,342 8.615,343 2.501,344 3.626,345 2.892,346 5.959,347 3.37,348 2.415,349 2.784,350 0.064,351 8.099,352 2.31,353 3.431,354 2.508,355 5.688,356 3.309,357 2.323,358 2.505,360 7.558,361 2.26,362 3,363 2,364 5.24,365 3,366 2,367 2,369 6.076,370 2,371 2.877,372 1.958,373 5.061,374 2.722,375 1.735,376 1.915,378 5.664,379 1.71,380 2.55,381 1.928,382 4.709,383 2.405,384 1.422,385 1.536,387 4.366,388 1.391,389 2.474,390 1.68,391 4.179,392 2.279,393 1.277,394 1.423,396 3.066,397 1.273,398 2.358,399 1.253,400 3.929,401 2.161,402 1.197,403 1.329,405 2.507,406 1.15,407 2.238,408 1.142,409 3.467,410 1.75,411 0.796,412 1.086,414 1.969,415 0.751,416 1.635,417 0.949,418 3.396,419 1.405,420 0.408,421 0.477,423 0.781,424 0.403,425 1.51,426 0.649,427 3.128,428 1.147,429 0.129,430 0.158,432 0.232,433 0.129,434 1,436 2.985,437 1,443 0.699,444 -0.279,445 2.861,446 0.684,447 -0.315,448 -0.317,450 -0.989,451 -0.314,452 12.267,453 0.472,454 0.775,455 0.03,456 25.5,457 0.981,458 7.5,459 0.288,460 18,461 0.692,462 31.109,463 1.196,464 29.733,465 0.551,466 16.441,467 0.632,468 3.565,469 0.137,470 9.004,471 0.346,472 0.136,473 0.041,474 0.391,476 0.68,477 1.55,478 0.863,479 1.25,480 0.488,481 1.101,482 0.438,483 1.102,484 0.828,485 1.05,486 0.419,487 1,488 0.678,489 1.28,490 0.888,491 1.185,492 0.598,493 1.08,494 1.173,495 0.953,496 0.92,497 0.809,498 1.093,499 0.815,500 1.587,501 1.014,502 1.133,503 0.899,504 1.49,505 0.933,506 1.895,507 1.052,508 1.345,509 0.977,510 1.817,511 1.06,512 1.554,513 1.11,514 1.276,515 1.153,516 1.569,517 1.167,518 1.562,519 0.945,520 1.296,521 1.106,522 1.828,523 1.172,524 6.5,525 0.073,526 3.778,527 2.757,528 2.338,529 1.077,530 0.782,531 0.492,532 0.305,533 0.166,534 7217,535 13569,536 2.158,537 51.9,538 19,539 4,542 1,544 4,547 1.698,548 1.987,549 3.051,550 -0.332,552 1,555 79.719,556 1.476,557 2.777,558 3.971,559 4.514,560 4.727,561 4.838,562 2.493,563 4.133,564 4.672,565 3.193,566 1037.59,567 8.137,568 12132.3,570 1,572 1,573 310.764,574 1.651,575 4.614,576 0.217,577 0.012,578 0.08,579 0.057,580 0.052,581 0.027,582 0.022,583 0.014,584 0.013,585 0.012,586 0.506,587 0.17,588 0.88,589 1.166,590 122.795,591 -0.005,592 -0.215,593 0.086,594 -0.039,595 0.014,596 0.022,597 0.289,598 0.099,599 0.13,600 0.058,601 0.102,602 0.062,603 0.131,604 -0.22,605 0.076,606 -0.155,607 0.095,608 -0.065,609 0.122,610 0.041,611 0.116,612 0.084,613 0.134,614 0.1,615 -0.192,616 0.058,617 -0.088,618 0.036,619 -0.088,620 0.001,621 -0.372,622 0.058,623 -0.288,624 -0.026,625 -0.257,626 -0.124,627 -0.241,628 -0.037,629 -0.255,630 -0.155,631 -0.157,632 -0.193,633 -0.255,634 -0.007,635 -0.291,636 -0.111,637 -0.208,638 -0.194,639 1.893,640 5.954,641 0.692,642 19.13,643 0.994,644 1.137,645 3.505,646 12.285,647 0.631,648 3.434,649 3.871,650 4.29,651 4.7,652 4.997,653 5.236,654 5.416,655 5.541,656 5.697,657 5.829,658 5.181,659 0.59,660 356.52,661 3.434,662 5.043,663 5.974,664 6.934,665 7.888,666 8.856,667 9.818,668 10.788,669 11.754,670 12.726,671 7.4,678 2,679 1,681 1,688 1,689 1,692 3,694 5,707 54,709 7,711 30,712 58,713 20,714 3,717 1,718 5,719 10,722 1,723 2,724 1,725 1,726 5,727 3,728 7,730 5,731 15,732 3,734 2,738 2,741 2,743 1,744 1,747 28,748 5,749 1,750 6,752 1,753 4,756 1,758 0.4,759 2,771 3,772 3,773 2,774 1,775 1,791 2,794 2,797 26,802 9,806 3,807 2,808 1,815 3.7,818 2,822 13.083,823 10.183,824 5.583,825 4.063,827 1.111,828 1.137,829 0.977,830 3.761,831 9.225,832 3.57,833 4.115,834 4.69,835 5.26,836 5.663,837 6.096,838 6.407,839 6.698,840 6.927,841 7.054,842 0.833,843 48,844 9.817,846 4.508,847 7.599,848 19.508,850 18.078,853 2.099,854 54.583,856 1,857 1,858 317.82,859 55.997,860 39.82,862 50.29,865 55.997,866 368.11,867 39.82,868 17.65,869 28.202,871 74.108,872 21.87,873 4.276,874 317.82,876 317.82,877 95.816,878 50.29,880 270.735,881 97.374,884 70.05,885 8.98,886 16.786,888 317.82,889 90.11,890 55.997,893 317.82,894 38.346,895 23.899,896 16.786,897 67.075,898 317.82,899 90.11,900 55.997,901 0.594,902 0.377,903 0.228,904 0.129,905 28,906 12,907 0.086,908 5,909 6,910 1.5,911 3.625,912 252.94,913 0.667,914 15,915 116.211,918 16.796,919 5.822,920 2.225,922 73.324,924 4.861,925 3.484,928 2.088,930 16.786,931 463.926,932 34.5,936 25.831,939 -0.424,941 53.665,942 61.394,943 0.257,944 0.483,945 0.69,946 0.784,947 0.821,948 0.841,949 4.922,950 1.422,951 6.033,952 5.664,953 4.554,954 4.8,955 2.197,956 7.026,957 4.499,958 6.129,959 1.277,960 7.708,961 4.366,962 4.443,963 4.783,964 1.404,965 8.425,966 4.372,967 7.482,968 1.197,969 9.494,970 3.066,971 6.354,972 6.881,973 2.804,974 11.611,975 6.247,976 8.871,977 0.796,978 11.351,979 2.507,980 7.083,981 7.711,982 2.647,983 13.881,984 6.966,985 10.302,986 0.408,987 13.256,988 1.969,989 8.536,990 9.344,991 3.665,992 16.691,993 8.392,994 11.76,995 0.129,996 15.196,997 0.781,998 9.608,999 10.522,1000 3.851,1001 19.266,1002 9.459,1003 13.239,1005 17.164,1006 0.232,1007 10.928,1008 12.009,1009 4.661,1010 21.996,1011 10.763,1012 3.704,1013 -0.315,1014 19.153,1016 12.133,1017 13.33,1018 5.029,1019 24.669,1020 11.964,1021 3.305,1022 15.342,1023 21.159,1024 -0.989,1025 13.421,1026 14.773,1027 5.726,1028 27.387,1029 13.241,1030 2.602,1031 11.824,1032 23.179,1033 4.257,1034 14.677,1035 16.155,1036 6.188,1037 30.093,1038 14.493,1039 2.415,1040 8.615,1041 25.21,1042 3.704,1043 15.961,1044 17.587,1045 6.825,1046 32.813,1047 15.77,1048 2.323,1049 8.099,1050 27.249,1051 3.105,1052 17.238,1053 18.997,1054 7.336,1055 35.532,1056 17.043,1057 2,1058 7.558,1059 29.295,1060 2.784,1061 18.525,1062 20.429,1063 7.94,1064 38.255,1065 18.325,1066 1.735,1067 6.076,1068 31.347,1069 2.505,1070 19.812,1071 21.853,1072 8.477,1073 40.979,1074 19.607,1075 6787,1076 9442,1077 19.997,1078 34.069,1079 47.804,1080 49.529,1081 50.194,1082 46.684,1083 46.624,1084 52.558,1085 6.869,1086 152.2,1087 45.391,1088 5.79,1089 5.996,1090 7.759,1091 5.77,1092 5.704,1093 6.935,1094 3.071,1095 23.488,1096 5.672,1097 12.72,1098 1.593,1099 1.651,1100 1.673,1101 1.556,1102 1.554,1103 1.752,1104 0.229,1105 5.073,1106 1.513,1107 4.154,1108 4.197,1109 4.092,1110 4.054,1111 7.444,1112 4.052,1113 3.942,1114 3.99,1115 3.883,1116 3.754,1117 7.411,1118 3.787,1119 3.624,1120 3.7,1121 3.508,1122 3.445,1123 4.91,1124 3.44,1125 3.579,1126 3.656,1127 3.405,1128 3.414,1129 4.398,1130 3.401,1131 3.316,1132 3.376,1133 3.179,1134 3.096,1135 4.167,1136 3.101,1137 3.228,1138 3.304,1139 3.039,1140 3.078,1141 4.112,1142 3.073,1143 3.065,1144 3.124,1145 2.991,1146 2.887,1147 3.714,1148 2.87,1149 3.039,1150 3.118,1151 2.848,1152 2.795,1153 3.604,1154 2.815,1155 0.16,1156 0.133,1157 0.267,1158 0.156,1159 0.123,1160 4.79,1161 0.142,1162 3.996,1163 0.059,1164 7.999,1165 0.511,1166 4.694,1167 0.122,1168 3.704,1169 4.257,1170 1.761,1171 15.342,1172 3.672,1173 1.862,1174 1.815,1175 2.06,1176 2.009,1177 1.507,1178 2.014,1179 1.775,1180 1.726,1181 1.954,1182 1.984,1183 1.325,1184 1.98,1185 1.71,1186 1.668,1187 1.906,1188 1.855,1189 1.202,1190 1.865,1191 1.609,1192 1.533,1193 1.863,1194 1.802,1195 1.155,1196 1.835,1197 1.467,1198 1.407,1199 1.642,1200 1.675,1201 0.947,1202 1.686,1203 1.262,1204 1.192,1205 1.562,1206 1.445,1207 0.756,1208 1.489,1209 1.144,1210 1.066,1211 1.38,1212 1.441,1213 0.54,1214 1.424,1215 0.992,1216 0.939,1217 1.296,1218 1.266,1219 0.508,1220 1.261,1221 4.111,1222 5.517,1223 3.434,1224 7.14,1225 5.974,1226 8.87,1227 8.223,1228 10.658,1229 4.046,1234 9.1,1238 2.363,1239 3.109,1240 0.127,1243 31.837,1244 79.719,1245 149.976,1246 214.441,1247 243.744,1248 255.254,1249 261.254,1250 49.333,1251 8.113,1252 72.68,1253 72.68,1254 27,1255 13.203,1256 3,1257 2.459,1258 33.66,1259 85,1260 82,1261 0.212,1262 189.11,1263 332.88,1264 453.189,1265 33022,1267 18.052,1268 0.694,1269 0.606,1270 18.052,1271 15.754,1272 12.569,1273 0.419,1274 0.344,1275 10.198,1276 12.148,1277 9.953,1278 8.21,1279 12.569,1280 10.308,1281 11.897,1282 0.253,1283 0.189,1284 11.897,1285 8.874,1286 11.025,1287 0.153,1288 0.1,1289 11.025,1290 7.22,1291 10.368,1292 0.095,1293 0.059,1294 10.368,1295 6.435,1296 8.626,1297 0.059,1298 0.034,1299 8.626,1300 4.961,1301 0.316,1302 78.459,1303 0.224,1304 24.142,1305 0.634,1306 154,1307 360.739,1308 168.309,1309 345.814,1310 485.75,1311 324,1312 196,1313 375.385,1314 212.613,1315 375.836,1316 573.57,1317 356,1318 5.432}
{0 CHEMBL527,1 1.851,2 8.522,3 1,4 1.001,5 85.374,6 9.205,7 0.48,8 3.726,9 3.802,10 3.63,11 3.312,12 4.95,13 3.298,14 4.216,15 4.33,16 3.956,17 3.687,18 5.689,19 3.666,20 4.452,21 4.571,22 4.093,23 3.844,24 5.849,25 3.817,26 4.58,27 4.703,28 4.109,29 3.751,30 6.15,31 3.771,32 4.54,33 4.675,34 3.86,35 3.602,36 6.307,37 3.616,38 4.341,39 4.538,40 3.575,41 3.47,42 5.667,43 3.422,44 4.165,45 4.354,46 3.488,47 3.384,48 5.536,49 3.324,50 4.051,51 4.246,52 3.204,53 3.279,54 5.316,55 3.181,56 0.157,57 0.564,58 7.307,59 3.418,60 24.758,61 3.139,62 0.433,63 0.879,64 10.483,65 5.33,66 50.605,67 5.443,68 0.456,69 1.07,70 18.555,71 7.741,72 54.05,73 7.34,74 0.791,75 1.091,76 21.419,77 7.574,78 123.686,79 6.627,80 1.133,81 0.984,82 21.576,83 6.967,84 193.558,85 5.992,86 0.595,87 0.844,88 17.515,89 6.076,90 90.771,91 6.716,92 0.461,93 0.752,94 14.328,95 5.137,96 54.417,97 5.517,98 0.362,99 0.636,100 14.349,101 5.326,102 49.125,103 5.831,104 26,105 37,106 0.332,107 0.675,108 0.771,109 0.868,110 0.892,111 0.892,112 3.19,113 0.973,114 -2.17,115 -2.22,116 -2.19,117 41.7,122 1,131 2,133 7,134 1,135 1,136 1,138 1,147 1,160 6,163 3,164 2,167 2,169 2,172 5,175 1,176 7,179 2,181 2,184 2,187 1,188 8,191 1,192 1,193 4,202 3,203 6,206 4,208 2,216 5,219 1,221 3,224 1,227 2,228 5,233 2,236 2,240 4,245 1,247 4,252 3,260 4,264 691,265 15.084,266 15.084,267 15.084,268 15.084,269 15.084,270 12.975,271 15.458,272 8.717,273 15.386,274 12.281,275 12.281,276 12.281,277 12.281,278 12.281,279 9.043,280 20.399,281 4.093,282 12.808,283 3.318,284 1.4,285 0.866,286 0.32,287 0.188,288 0.188,289 3.861,292 1,293 1,294 418,295 3.162,298 183.977,302 97.236,303 1.195,304 43.439,307 1,308 1,309 1,310 0.4,312 1,313 1,314 0.77,315 51.5,316 196,317 5.028,318 4.755,319 7.795,320 4.567,321 3.634,322 4.849,323 1.058,324 14.243,325 3.375,326 4.286,327 3.631,328 6.587,329 3.815,330 2.853,331 3.805,332 0.4,333 10.11,334 2.726,335 3.965,336 2.852,337 6.245,338 3.58,339 2.603,340 3.481,342 8.846,343 2.546,344 3.828,345 2.594,346 5.433,347 3.386,348 2.436,349 3.317,351 7.117,352 2.308,353 3.204,354 2.478,355 4.899,356 2.755,357 1.768,358 2.378,360 4.766,361 1.73,362 2.891,363 1.66,364 4.197,365 2.456,366 1.479,367 2.046,369 3.341,370 1.44,371 2.783,372 1.519,373 4.083,374 2.324,375 1.339,376 1.859,378 3.035,379 1.309,380 2.604,381 1.195,382 3.57,383 2.066,384 1.07,385 1.598,387 2.733,388 1.063,389 2.5,390 1.07,391 3.548,392 1.958,393 1,394 1.5,396 2.162,397 0.956,398 2.221,399 1,400 3.247,401 1.779,402 0.836,403 1.073,405 2.136,406 0.783,407 1.2,408 0.601,409 3.151,410 0.947,411 0.015,412 0.017,414 0.04,415 0.014,416 1.148,417 0.337,418 2.665,419 0.693,420 -0.321,421 -0.436,423 -0.748,424 -0.318,425 1,426 0.114,427 2.453,428 0.351,429 -0.583,430 -0.733,432 -1.412,433 -0.532,434 0.783,435 -0.619,436 2.229,437 0.098,438 -0.886,439 -1.252,441 -2.151,442 -0.864,443 0.573,444 -0.71,445 2,447 -1,448 -1.414,450 -2.258,451 -0.964,452 10.867,453 0.472,454 0.746,455 0.032,456 33.5,457 1.457,458 18.5,459 0.804,460 15,461 0.652,462 14.986,463 0.652,464 24.533,465 0.681,466 26.715,467 1.162,468 6.738,469 0.293,470 4.187,471 0.182,472 0.169,473 0.077,474 0.313,476 0.654,477 1.344,478 0.788,479 1.206,480 0.717,481 0.859,482 0.582,483 0.986,484 0.732,485 0.838,486 0.59,487 0.812,488 0.909,489 1.169,490 1.162,491 1.254,492 0.913,493 0.987,494 1.398,495 1.21,496 1.094,497 1.213,498 1.472,499 1.054,500 1.528,501 0.877,502 1.259,503 0.922,504 1.476,505 1.005,506 1.185,507 0.967,508 0.862,509 0.812,510 1.22,511 0.942,512 0.983,513 0.892,514 1.02,515 0.881,516 0.86,517 0.972,518 0.964,519 0.937,520 1.143,521 1.071,522 0.898,523 1.12,524 5,525 0.016,526 3.556,527 2.875,528 2.249,529 0.958,530 0.53,531 0.352,532 0.156,533 0.058,534 4897,535 16965,536 2.006,537 36.1,539 10,541 1,542 2,547 1.663,548 1.828,549 3.032,550 0.407,551 1,552 1,554 1,555 66.653,556 1.851,557 3.77,558 4.304,559 4.85,560 4.982,561 4.982,562 2.475,563 4.002,564 4.495,565 3.16,566 799.39,567 7.771,568 8672.51,569 1,570 1,573 186.117,574 1.72,575 4.418,576 0.2,577 0.004,578 0.096,579 0.068,580 0.058,581 0.03,582 0.022,583 0.016,584 0.009,585 0.006,586 0.509,587 0.5,588 1,589 0.675,590 104.782,591 -0.011,592 -0.19,593 0.192,594 -0.085,595 -0.16,596 0.033,597 0.204,598 0.13,599 0.121,600 0.125,601 0.136,602 0.062,603 -0.022,604 -0.094,605 -0.067,606 -0.136,607 -0.03,608 -0.05,609 -0.121,610 -0.22,611 -0.077,612 -0.226,613 -0.124,614 -0.171,615 -0.028,616 0.077,617 -0.286,618 -0.011,619 0.091,620 -0.146,621 -0.156,622 -0.065,623 0.047,624 0.073,625 -0.16,626 0.058,627 -0.082,628 0.112,629 -0.056,630 0.055,631 -0.019,632 0.002,633 -0.123,634 -0.031,635 -0.128,636 -0.061,637 -0.062,638 -0.056,639 4.823,640 5.502,641 0.696,642 15.527,643 1.031,644 1.12,645 0.942,646 0.888,647 0.702,648 3.258,649 3.638,650 3.951,651 4.22,652 4.443,653 4.431,654 4.5,655 4.477,656 4.522,657 4.419,658 5.004,659 0.687,660 331.38,661 3.258,662 4.828,663 5.707,664 6.621,665 7.523,666 8.445,667 9.358,668 10.283,669 11.203,670 12.132,671 8.3,674 1,678 1,681 1,687 8,688 1,692 3,694 12,707 36,709 16,710 1,711 25,712 38,713 15,714 11,715 2,716 4,717 3,718 3,719 4,730 14,731 1,734 4,736 1,738 3,741 3,743 1,744 1,747 13,748 7,749 2,750 8,751 1,753 3,758 0.667,759 4,767 1,772 3,776 1,779 1,783 2,789 1,791 2,793 1,794 1,797 23,799 1,801 1,803 1,807 1,815 11.1,817 1,818 3,822 12.583,823 6.683,824 4.972,825 1.881,827 2.687,828 1.389,829 0.978,830 3.838,831 9.596,832 3.584,833 4.234,834 4.783,835 5.325,836 5.841,837 5.969,838 6.323,839 6.489,840 6.828,841 6.935,842 0.833,843 42,844 8.841,846 4.243,847 8.257,848 15.515,850 12.872,853 2.757,854 63.417,858 129.482,859 104.111,860 36.315,862 112.141,864 5.807,865 98.303,866 241.623,867 36.315,868 8.396,869 18.011,870 72.141,871 148.159,872 15.302,873 2.328,874 117.711,876 129.482,877 134.618,878 112.141,879 5.807,880 129.482,881 112.141,884 28.577,885 86.499,886 25.35,888 129.482,889 148.456,890 104.111,892 5.807,893 129.482,894 14.526,895 85.296,896 18.011,897 128.927,898 129.482,899 148.456,900 104.111,901 0.597,902 0.366,903 0.199,904 0.107,905 19,906 9,907 0.053,908 2,909 1,910 1.125,911 3.314,912 192.324,913 0.125,914 16,915 102.042,917 1,918 15.529,919 5.685,920 2.582,922 148.456,923 12.364,924 3.94,928 0.3,930 60.694,931 382.049,932 35,934 -3.906,936 37.415,939 -1.512,941 37.109,942 40.329,943 0.358,944 0.729,945 0.833,946 0.938,947 0.964,948 0.964,949 4.844,950 1.07,951 5.759,952 3.035,953 4.317,954 4.92,955 1.27,956 6.698,957 4.229,958 6.113,959 1,960 7.414,961 2.733,962 4.205,963 5.047,965 8.074,966 4.029,967 7.49,968 0.836,969 9.193,970 2.162,971 6.075,972 7.266,973 1.27,974 11.221,975 5.867,976 8.915,977 0.015,978 11.049,979 2.136,980 6.792,981 8.216,983 13.412,984 6.478,985 10.38,986 -0.321,987 12.953,988 0.04,989 8.224,990 9.987,991 1.34,992 16.195,993 7.866,994 11.873,995 -0.583,996 14.89,997 -0.748,998 9.278,999 11.285,1001 18.675,1002 8.816,1003 13.39,1004 -0.886,1005 16.852,1006 -1.412,1007 10.582,1008 12.912,1009 1.423,1010 21.363,1011 10.062,1012 3.634,1013 -1,1014 18.831,1015 -2.151,1016 11.771,1017 14.361,1019 23.95,1020 11.155,1021 2.853,1022 14.243,1023 20.824,1024 -2.258,1025 13.046,1026 15.943,1027 1.51,1028 26.613,1029 12.36,1030 2.603,1031 10.11,1032 22.828,1033 4.849,1034 14.29,1035 17.461,1037 29.242,1038 13.516,1039 2.436,1040 8.846,1041 24.841,1042 3.805,1043 15.564,1044 19.032,1045 1.599,1046 31.898,1047 14.715,1048 1.768,1049 7.117,1050 26.861,1051 3.481,1052 16.831,1053 20.581,1055 34.543,1056 15.9,1057 1.479,1058 4.766,1059 28.886,1060 3.317,1061 18.11,1062 22.152,1063 1.69,1064 37.199,1065 17.101,1066 1.339,1067 3.341,1068 30.917,1069 2.378,1070 19.388,1071 23.715,1073 39.85,1074 18.3,1075 4833,1076 9145,1077 16.008,1078 25.29,1079 38.619,1080 39.889,1081 40.389,1082 38.092,1083 38.063,1084 51.846,1085 2.917,1086 117.056,1087 36.499,1088 5.952,1089 6.755,1090 7.597,1091 5.657,1092 5.634,1093 7.849,1094 2.117,1095 23.07,1096 5.375,1097 12.29,1098 1.545,1099 1.596,1100 1.616,1101 1.524,1102 1.523,1103 2.074,1104 0.117,1105 4.682,1106 1.46,1107 4.141,1108 4.122,1109 4.753,1110 4.121,1111 7.715,1112 4.048,1113 3.865,1114 3.909,1115 3.827,1116 3.741,1117 7.429,1118 3.749,1119 3.629,1120 3.653,1121 3.712,1122 3.542,1123 6.999,1124 3.496,1125 3.495,1126 3.469,1127 3.509,1128 3.355,1129 6.466,1130 3.341,1131 3.111,1132 3.174,1133 3.026,1134 2.879,1135 4.903,1136 2.899,1137 3.05,1138 3.108,1139 2.849,1140 2.841,1141 4.683,1142 2.818,1143 2.8,1144 2.87,1145 2.658,1146 2.657,1147 4.123,1148 2.648,1149 2.735,1150 2.8,1151 2.603,1152 2.555,1153 3.913,1154 2.551,1155 0.201,1156 0.19,1157 0.312,1158 0.183,1159 0.145,1160 5.028,1161 0.194,1162 4.755,1163 0.042,1164 7.795,1165 0.57,1166 4.567,1167 0.135,1168 3.634,1169 4.849,1170 1.058,1171 14.243,1172 3.375,1173 2.022,1174 2.033,1175 2.016,1176 2.096,1177 1.263,1178 2.12,1179 1.819,1180 1.778,1181 1.937,1182 1.965,1183 0.938,1184 1.96,1185 1.555,1186 1.533,1187 1.681,1188 1.725,1189 0.793,1190 1.738,1191 1.317,1192 1.35,1193 1.439,1194 1.525,1195 0.482,1196 1.513,1197 1.06,1198 0.98,1199 1.2,1200 1.303,1201 0.403,1202 1.359,1203 0.995,1204 0.948,1205 1.139,1206 1.25,1207 0.239,1208 1.225,1209 0.8,1210 0.742,1211 1.059,1212 1.007,1213 0.088,1214 1.037,1215 0.699,1216 0.641,1217 0.842,1218 0.943,1220 0.969,1221 3.932,1222 5.293,1224 6.876,1226 8.565,1228 10.315,1229 1.217,1233 10.364,1235 2.467,1239 0.767,1243 24.745,1244 66.653,1245 135.711,1246 154.956,1247 174.608,1248 179.362,1249 179.362,1250 58.985,1251 6.909,1252 99.6,1253 107.98,1254 18,1255 12.636,1256 4.087,1257 3.459,1258 36.617,1259 67,1260 76,1261 0.271,1262 156.555,1263 274.73,1264 373.754,1265 8059,1267 16.613,1268 0.722,1269 0.561,1270 16.863,1271 12.91,1272 10.926,1273 0.437,1274 0.324,1275 6.674,1276 9.677,1277 6.404,1278 5.319,1279 11.714,1280 8.106,1281 10.318,1282 0.279,1283 0.183,1284 11.642,1285 6.773,1286 8.895,1287 0.174,1288 0.103,1289 10.235,1290 5.257,1291 7.404,1292 0.111,1293 0.055,1294 8.609,1295 3.692,1296 5.815,1297 0.069,1298 0.03,1299 7.045,1300 2.534,1301 0.407,1302 77.057,1303 0.25,1304 21.988,1305 0.802,1306 124,1307 439.84,1308 178.758,1309 441.959,1310 591.67,1311 404,1312 150,1313 403.771,1314 214.632,1315 444.617,1316 654.15,1317 416,1318 5.312}
{0 CHEMBL548,1 1.306,2 12.64,3 3.034,4 9.208,5 99.435,6 6.185,8 4.072,9 4.196,10 3.416,11 3.551,12 5.106,13 3.49,14 4.654,15 4.844,16 3.708,17 3.947,18 5.681,19 3.834,20 5.018,21 5.273,22 3.728,23 4.073,24 5.967,25 3.926,26 5.002,27 5.267,28 3.673,29 4.03,30 6.024,31 3.873,32 4.933,33 5.199,34 3.619,35 3.962,36 5.898,37 3.813,38 4.889,39 5.143,40 3.665,41 3.931,42 5.929,43 3.798,44 4.911,45 5.162,46 3.557,47 3.92,48 5.96,49 3.768,50 4.873,51 5.148,52 3.45,53 3.862,54 5.78,55 3.694,56 0.067,57 0.715,58 13.804,59 6.093,60 18.272,61 8.11,62 0.205,63 1.149,64 24.486,65 9.917,66 54.703,67 13.793,68 0.408,69 1.4,70 35.142,71 12.06,72 90.051,73 17.433,74 0.508,75 1.354,76 34.545,77 11.708,78 109.332,79 17.047,80 0.393,81 1.261,82 32.204,83 10.869,84 87.59,85 15.806,86 0.435,87 1.216,88 31.049,89 10.443,90 91.787,91 15.123,92 0.546,93 1.214,94 31.973,95 10.409,96 110.326,97 15.086,98 0.404,99 1.157,100 30.245,101 9.999,102 84.912,103 14.659,104 65,105 31,106 0.22,107 0.503,108 0.753,109 0.898,110 0.916,111 0.916,112 3.265,113 1.127,114 -3.35,115 -3.33,116 -3.19,117 35.1,118 1,119 9,120 2,125 2,128 4,145 1,147 1,156 1,159 1,160 13,161 1,164 3,167 1,169 5,172 14,173 1,176 3,181 5,184 13,185 1,188 3,191 1,193 5,196 12,197 1,203 3,208 4,211 10,212 1,216 2,220 1,221 6,224 11,225 1,228 3,231 1,233 4,236 10,237 1,240 3,245 4,247 9,248 1,252 2,253 1,257 4,260 7,261 2,264 1176,265 16.441,266 16.441,267 16.441,268 16.441,269 16.441,270 15.689,271 14.49,272 10.401,273 16.49,274 12.304,275 12.304,276 12.304,277 12.304,278 12.304,279 11.088,280 12.256,281 4.94,282 12.396,283 4.527,284 2.85,285 1.368,286 0.504,287 0.399,288 0.399,289 3.91,292 1,293 1,294 612,295 4.472,297 87.064,303 2.266,304 38.671,307 1,308 0.83,309 0.83,310 1,311 1,312 0.83,313 0.5,314 0.86,315 55,316 316,317 4.24,318 3.841,319 6.682,320 4.149,321 3.148,322 3.364,323 2.341,324 10.723,325 3.152,326 3.553,327 3.596,328 5.354,329 3.34,330 2.374,331 2.713,332 2.178,333 6.314,334 2.288,335 3.536,336 2.936,337 5.027,338 3.241,339 2.236,340 2.643,341 0.765,342 5.958,343 2.223,344 3.218,345 2.743,346 4.663,347 3.035,348 2.041,349 2.269,351 5.184,352 2.019,353 3.164,354 2.254,355 4.657,356 2.797,357 1.78,358 2.201,360 4.755,361 1.801,362 2.746,363 1.969,364 3.799,365 2.618,366 1.628,367 1.729,369 3.45,370 1.608,371 2.616,372 1.666,373 3.621,374 2.55,375 1.555,376 1.601,378 3.08,379 1.54,380 2.351,381 1.56,382 3.417,383 2.118,384 1.123,385 1.261,387 2.418,388 1.11,389 2.184,390 1.21,391 3.112,392 1.841,393 0.836,394 1.005,396 1.735,397 0.839,398 1.659,399 0.881,400 2.74,401 1.576,402 0.588,403 0.623,405 1.076,406 0.577,407 1.428,408 0.781,409 2.505,410 1.241,411 0.249,412 0.274,414 0.52,415 0.245,416 1.079,417 0.589,418 2.335,419 0.805,420 -0.203,421 -0.227,423 -0.432,424 -0.201,425 0.741,426 0.412,427 2.121,428 0.56,429 -0.418,430 -0.438,432 -0.725,433 -0.402,434 0.618,435 0.205,436 1.85,437 0.42,438 -0.562,439 -0.63,441 -1.303,442 -0.535,443 0.507,444 -0.253,445 1.739,446 0.289,447 -0.724,448 -0.823,450 -1.625,451 -0.726,452 11.667,453 0.467,454 0.548,455 0.022,456 18.75,457 0.75,458 5,459 0.2,460 13.75,461 0.55,462 29.086,463 1.163,464 30.933,465 0.543,466 13.582,467 0.543,468 3.143,469 0.126,470 8.808,471 0.352,472 0.186,474 0.257,476 0.825,477 1.287,478 1.038,479 1.281,480 0.794,481 1.209,482 0.563,483 1.396,484 1.036,485 1.399,486 0.558,487 1.317,488 0.965,489 1.05,490 1.009,491 1.05,492 0.98,493 1.039,494 0.869,495 0.992,496 0.965,497 0.996,498 0.876,499 0.998,500 0.958,501 0.971,502 0.952,503 0.969,504 0.934,505 0.96,506 0.897,507 1.038,508 0.933,509 1.032,510 0.852,511 0.994,512 1.119,513 1.022,514 1.113,515 1.029,516 1.069,517 1.065,518 0.991,519 0.947,520 0.991,521 0.951,522 1.023,523 0.969,524 4.5,525 0.159,526 2.444,527 1.889,528 0.81,529 0.691,530 0.493,531 0.269,532 0.211,533 0.225,534 6876,535 18420,536 1.867,537 56.1,538 15,539 6,542 3,543 5,544 3,547 1.678,548 1.724,549 3.582,550 0.926,551 1,552 1,555 74.427,556 1.306,557 2.983,558 4.465,559 5.328,560 5.434,561 5.434,562 3.079,563 3.974,564 4.603,565 3.794,566 1138.29,567 7.96,568 15027.6,570 1,572 1,573 332.475,574 1.479,575 4.553,576 0.18,577 0.008,578 0.079,579 0.063,580 0.029,581 0.026,582 0.018,583 0.011,584 0.01,585 0.01,586 0.433,587 0.33,588 0.88,589 2.72,590 124.735,591 -0.083,592 0.081,593 -0.031,594 0.076,595 -0.078,596 0.037,597 0.09,598 -0.183,599 -0.078,600 -0.185,601 0.086,602 -0.166,603 -0.071,604 -0.037,605 -0.039,606 -0.035,607 -0.081,608 -0.032,609 0.009,610 -0.002,611 -0.003,612 -0.003,613 0.013,614 -0.005,615 -0.062,616 0.015,617 0.014,618 0.02,619 -0.051,620 0.03,621 0.035,622 -0.034,623 0.044,624 -0.027,625 0.037,626 0.006,627 -0.059,628 -0.034,629 -0.115,630 -0.045,631 -0.044,632 -0.085,633 -0.081,634 0.012,635 -0.029,636 0.013,637 -0.092,638 0.003,639 2.467,640 5.092,641 0.2,642 30.688,643 0.996,644 1.135,645 2.117,646 4.481,647 0.604,648 3.258,649 3.466,650 3.584,651 3.738,652 3.761,653 3.738,654 3.714,655 3.714,656 3.714,657 3.689,658 7.348,659 0.561,660 352.52,661 3.258,662 4.727,663 5.501,664 6.323,665 7.13,666 7.968,667 8.796,668 9.646,669 10.489,670 11.347,707 57,709 4,711 25,712 57,713 20,718 1,719 1,723 1,726 2,727 2,728 11,730 6,731 14,732 2,734 4,738 2,739 4,741 2,744 1,747 32,748 5,749 3,750 5,758 1,759 5,761 2,771 1,777 1,781 1,783 4,789 3,791 1,794 1,797 25,801 3,802 9,806 4,815 8.8,816 2,817 1,818 2,822 14.5,823 9.6,824 5.917,825 3.85,827 0.903,828 1.144,829 0.82,830 10.556,831 7.184,832 3.401,833 3.689,834 3.871,835 4.127,836 4.317,837 4.454,838 4.543,839 4.615,840 4.654,841 4.745,842 0.889,843 30,844 9.394,846 3.902,847 8.067,848 17.878,850 14.456,853 2.567,854 64.167,857 1,858 341.362,859 75.584,862 178.34,865 75.584,866 519.702,868 8.825,869 22.811,870 123.272,871 99.017,874 341.362,876 341.362,877 75.584,878 178.34,880 306.049,881 128.287,882 85.367,884 31.636,885 6.043,886 37.905,888 341.362,889 178.34,890 75.584,893 341.362,894 28.854,895 46.73,897 178.34,898 341.362,899 178.34,900 75.584,901 0.549,902 0.29,903 0.146,904 0.075,905 9,906 6,907 0.211,908 12,910 1,911 3.751,912 170.895,914 5,915 114.096,918 21.756,919 12.13,920 8.575,922 178.34,930 128.05,931 595.286,932 29,936 22.54,937 7.323,939 -0.747,941 56.774,942 64.69,943 0.224,944 0.511,945 0.765,946 0.914,947 0.932,948 0.932,949 4.605,950 1.123,951 5.442,952 3.08,953 4.143,954 4.369,955 2.901,956 6.151,957 4.129,958 5.704,959 0.836,960 6.942,961 2.418,962 3.611,963 3.892,964 2.778,965 6.952,966 3.571,967 6.928,968 0.588,969 8.554,970 1.735,971 5.617,972 6.057,973 4.191,974 10.044,975 5.595,976 8.18,977 0.249,978 10.237,979 1.076,980 5.943,981 6.382,982 4.629,983 11.812,984 5.906,985 9.469,986 -0.203,987 11.97,988 0.52,989 7.418,990 8.019,991 5.704,992 14.431,993 7.394,994 10.781,995 -0.418,996 13.74,997 -0.432,998 8.181,999 8.751,1000 6.358,1001 16.585,1002 8.155,1003 12.116,1004 -0.562,1005 15.539,1006 -0.725,1007 9.442,1008 10.155,1009 7.297,1010 19.047,1011 9.425,1012 3.148,1013 -0.724,1014 17.361,1015 -1.303,1016 10.419,1017 11.107,1018 8.044,1019 21.342,1020 10.405,1021 2.374,1022 10.723,1023 19.2,1024 -1.625,1025 11.6,1026 12.404,1027 8.923,1028 23.747,1029 11.592,1030 2.236,1031 6.314,1032 21.053,1033 3.364,1034 12.673,1035 13.476,1036 9.715,1037 26.092,1038 12.67,1039 2.041,1040 5.958,1041 22.916,1042 2.713,1043 13.827,1044 14.723,1045 10.568,1046 28.477,1047 13.828,1048 1.78,1049 5.184,1050 24.787,1051 2.643,1052 14.941,1053 15.86,1054 11.381,1055 30.839,1056 14.947,1057 1.628,1058 4.755,1059 26.665,1060 2.269,1061 16.088,1062 17.085,1063 12.223,1064 33.216,1065 16.097,1066 1.555,1067 3.45,1068 28.548,1069 2.201,1070 17.22,1071 18.257,1072 13.048,1073 35.585,1074 17.232,1075 7346,1076 12128,1077 15.603,1078 34.455,1079 35.867,1080 36.395,1081 36.595,1082 35.19,1083 35.115,1084 39.365,1085 10.568,1086 90.425,1087 34.804,1088 5.152,1089 5.669,1090 6.593,1091 5.13,1092 5.128,1093 5.754,1094 3.925,1095 17.488,1096 5.133,1097 16.292,1098 1.435,1099 1.456,1100 1.464,1101 1.408,1102 1.405,1103 1.575,1104 0.423,1105 3.617,1106 1.392,1107 3.975,1108 4.006,1109 3.887,1110 3.874,1111 7.474,1112 3.871,1113 3.76,1114 3.816,1115 3.623,1116 3.639,1117 7.426,1118 3.625,1119 3.737,1120 3.783,1121 3.604,1122 3.605,1123 6.453,1124 3.595,1125 3.54,1126 3.595,1127 3.399,1128 3.396,1129 6.446,1130 3.386,1131 3.48,1132 3.516,1133 3.358,1134 3.308,1135 6.351,1136 3.312,1137 3.221,1138 3.297,1139 3.036,1140 3.062,1141 4.425,1142 3.041,1143 3.157,1144 3.205,1145 2.99,1146 2.921,1147 4.287,1148 2.93,1149 2.959,1150 3.01,1151 2.815,1152 2.697,1153 4.157,1154 2.701,1155 0.17,1156 0.154,1157 0.267,1158 0.166,1159 0.126,1160 4.24,1161 0.135,1162 3.841,1163 0.094,1164 6.682,1165 0.429,1166 4.149,1167 0.126,1168 3.148,1169 3.364,1170 2.341,1171 10.723,1172 3.152,1173 1.839,1174 1.799,1175 2.036,1176 1.971,1177 1.363,1178 1.993,1179 1.772,1180 1.721,1181 2.001,1182 1.926,1183 1.313,1184 1.953,1185 1.68,1186 1.627,1187 1.902,1188 1.842,1189 1.227,1190 1.863,1191 1.58,1192 1.542,1193 1.796,1194 1.772,1195 1.067,1196 1.775,1197 1.474,1198 1.42,1199 1.736,1200 1.685,1201 1.01,1202 1.703,1203 1.354,1204 1.31,1205 1.595,1206 1.566,1207 0.768,1208 1.568,1209 1.161,1210 1.09,1211 1.464,1212 1.398,1213 0.647,1214 1.425,1215 0.965,1216 0.911,1217 1.294,1218 1.266,1219 0.496,1220 1.266,1221 3.932,1222 5.165,1223 2.398,1224 6.558,1225 4.844,1226 8.04,1227 6.986,1228 9.583,1229 2.114,1233 28.681,1234 5.978,1238 -1.722,1243 32.003,1244 74.427,1245 170.014,1246 254.501,1247 303.72,1248 309.72,1249 309.72,1250 126.056,1251 6.28,1252 94.83,1253 94.83,1254 5,1255 11.903,1256 2.322,1257 2.322,1258 71.876,1259 104,1260 122,1261 0.324,1262 203.496,1263 375.59,1264 488.289,1265 3962,1267 18.656,1268 0.746,1269 0.606,1270 18.656,1271 15.141,1272 11.952,1273 0.478,1274 0.376,1275 9.314,1276 11.597,1277 9.115,1278 7.6,1279 11.952,1280 9.392,1281 10.082,1282 0.325,1283 0.221,1284 10.082,1285 6.863,1286 7.118,1287 0.203,1288 0.135,1289 7.118,1290 4.71,1291 5.427,1292 0.132,1293 0.078,1294 5.427,1295 3.215,1296 3.718,1297 0.089,1298 0.046,1299 3.718,1300 1.943,1301 0.523,1302 74.596,1303 0.253,1304 25.142,1305 0.844,1306 112,1307 335.92,1308 122.739,1309 314.207,1310 391.52,1311 288,1312 122,1313 246.848,1314 130.306,1315 246.055,1316 350.55,1317 232,1318 6.462}
{0 CHEMBL589366,1 1.676,2 10.75,3 3.346,4 11.193,5 100.561,6 8.779,7 0.4,8 3.943,9 4.022,10 3.616,11 3.495,12 5.204,13 3.501,14 4.454,15 4.567,16 4.032,17 3.893,18 5.802,19 3.879,20 4.77,21 4.919,22 4.175,23 4.06,24 6.029,25 4.032,26 4.856,27 5.011,28 4.236,29 4.029,30 6.316,31 4.007,32 4.792,33 4.938,34 4.281,35 3.903,36 6.404,37 3.915,38 4.654,39 4.803,40 3.949,41 3.793,42 6.168,43 3.777,44 4.596,45 4.75,46 3.855,47 3.698,48 6.101,49 3.69,50 4.443,51 4.592,52 3.845,53 3.613,54 5.897,55 3.604,56 0.194,57 0.59,58 7.081,59 4.317,60 29.163,61 4.538,62 0.497,63 0.953,64 14.026,65 7.298,66 70.682,67 8.349,68 0.725,69 1.23,70 24.224,71 9.89,72 95.225,73 11.17,74 1.064,75 1.26,76 29.843,77 10.559,78 170.591,79 11.899,80 1.251,81 1.14,82 31.212,83 9.342,84 195.49,85 9.871,86 0.933,87 1.009,88 27.02,89 8.533,90 128.199,91 9.368,92 0.966,93 0.932,94 23.327,95 7.744,96 163.138,97 8.028,98 0.726,99 0.8,100 22.162,101 7.077,102 109.813,103 7.491,104 51,105 43,106 0.287,107 0.67,108 0.809,109 0.874,110 0.885,111 0.885,112 3.375,113 0.898,114 -4.44,115 -4.37,116 -4.12,117 43.5,118 1,119 2,125 2,133 6,134 4,135 2,147 3,156 1,159 1,160 10,163 1,164 5,167 2,169 4,170 1,172 14,173 1,176 4,179 1,180 1,181 5,184 12,185 1,188 7,189 1,191 3,192 1,193 5,196 4,197 3,202 1,203 10,206 1,208 8,211 4,212 3,215 2,216 6,219 2,221 7,222 1,224 5,225 2,228 4,231 1,232 1,233 3,236 7,237 2,240 6,241 2,245 5,247 8,248 1,251 2,252 3,255 2,257 3,260 8,264 1182,265 18.206,266 18.206,267 18.206,268 18.206,269 18.206,270 16.232,271 18.803,272 10.563,273 18.494,274 14.764,275 14.764,276 14.764,277 14.764,278 14.764,279 11.717,280 17.821,281 5.006,282 15.252,283 3.848,284 1.615,285 0.805,286 0.424,287 0.364,288 0.364,289 4.048,290 1,292 1,293 1,294 634,295 3.873,298 256.165,302 132.574,303 1.5,304 53.887,307 1,308 1,309 1,310 0.8,311 0.5,312 1,313 1,314 0.9,315 62.833,316 301,317 4.647,318 3.816,319 6.97,320 4.278,321 3.301,322 4.367,323 2.375,324 11.737,325 3.215,326 4.082,327 3.763,328 6.234,329 3.843,330 2.859,331 3.476,332 1.674,333 9.168,334 2.804,335 3.944,336 3.536,337 5.95,338 3.636,339 2.644,340 3.379,341 1.061,342 8.333,343 2.619,344 3.729,345 3.15,346 5.665,347 3.362,348 2.37,349 3.011,350 0.14,351 7.252,352 2.345,353 3.677,354 2.734,355 5.267,356 3.254,357 2.334,358 2.975,360 6.641,361 2.124,362 3.299,363 2.655,364 5.109,365 3.092,366 2.135,367 2.389,369 6.077,370 1.998,371 2.968,372 2.477,373 4.666,374 2.616,375 1.636,376 2.078,378 4.462,379 1.572,380 2.917,381 2.021,382 4.419,383 2.488,384 1.49,385 1.985,387 4.041,388 1.482,389 2.826,390 1.959,391 3.771,392 2.382,393 1.42,394 1.874,396 3.169,397 1.319,398 2.5,399 1.491,400 3.546,401 2,402 1,403 1.5,405 2.375,406 1,407 2.337,408 1.197,409 3.249,410 1.97,411 0.978,412 1.201,414 2.136,415 0.948,416 1.651,417 1,418 3.247,419 1.292,420 0.399,421 0.467,423 1.034,424 0.318,425 1.23,426 0.82,427 3,428 0.872,429 -0.108,430 -0.125,432 -0.286,433 -0.103,434 1.137,435 0.541,436 2.717,437 0.848,438 -0.142,439 -0.171,441 -0.363,442 -0.138,443 0.799,444 0.364,445 2.591,446 0.494,447 -0.461,448 -0.544,450 -1.181,451 -0.419,452 13.114,453 0.468,454 0.898,455 0.032,456 34.5,457 1.232,458 17,459 0.607,460 17.5,461 0.625,462 24.561,463 0.877,464 30.686,465 0.667,466 29.764,467 1.063,468 6.991,469 0.25,470 6.283,471 0.224,472 0.22,474 0.419,476 0.781,477 1.072,478 0.62,479 0.903,480 0.708,481 0.831,482 0.552,483 1.126,484 0.64,485 0.986,486 0.477,487 0.945,488 0.937,489 1.082,490 0.888,491 0.998,492 0.85,493 0.987,494 1.009,495 1.113,496 1.008,497 1.031,498 1.105,499 0.998,500 1.113,501 1.04,502 1.012,503 1.058,504 1.215,505 0.951,506 1.154,507 1.056,508 1.306,509 1.154,510 1.175,511 1.092,512 1.417,513 0.872,514 1.047,515 0.842,516 1.517,517 0.911,518 1.219,519 0.966,520 1.13,521 1.064,522 1.275,523 0.97,524 6.5,525 0.165,526 3.333,527 2.625,528 2.551,529 1.181,530 0.671,531 0.576,532 0.353,533 0.262,534 8834,535 30811,536 1.972,537 39.1,539 8,542 3,544 7,547 1.714,548 1.787,549 3.37,550 0.953,551 1,552 1,555 77.077,556 1.676,557 3.908,558 4.719,559 5.099,560 5.159,561 5.159,562 2.843,563 4.45,564 4.78,565 3.513,566 1327.83,567 8.33,568 17168.3,570 1,572 1,573 254.084,574 1.56,575 4.702,576 0.217,577 0.008,578 0.078,579 0.056,580 0.055,581 0.027,582 0.019,583 0.018,584 0.012,585 0.01,586 0.5,587 0.17,588 1,589 0.843,590 139.251,591 -0.105,592 0.061,593 -0.015,594 0.079,595 -0.096,596 0.067,597 0.161,598 -0.039,599 0.066,600 -0.008,601 0.138,602 -0.007,603 -0.076,604 -0.052,605 -0.018,606 -0.025,607 -0.074,608 -0.028,609 0.026,610 -0.128,611 0.014,612 -0.057,613 -0.012,614 -0.039,615 0.088,616 -0.061,617 0.122,618 -0.09,619 0.07,620 -0.021,621 -0.038,622 -0.076,623 -0.205,624 -0.177,625 -0.022,626 -0.148,627 -0.184,628 0.089,629 -0.099,630 0.1,631 -0.162,632 0.016,633 -0.101,634 -0.017,635 -0.01,636 -0.066,637 -0.107,638 -0.006,639 2.894,640 5.634,641 0.571,642 24.23,643 1.029,644 1.118,645 3.208,646 10.294,647 0.684,648 3.434,649 3.784,650 4.043,651 4.317,652 4.554,653 4.564,654 4.625,655 4.682,656 4.71,657 4.673,658 6.243,659 0.671,660 403.84,661 3.434,662 4.99,663 5.844,664 6.737,665 7.613,666 8.511,667 9.397,668 10.297,669 11.19,670 12.093,671 2.2,678 1,687 6,692 6,694 12,697 1,699 1,704 1,706 1,707 46,709 15,710 2,711 30,712 48,713 20,714 12,715 6,716 6,717 2,718 3,719 4,720 1,723 1,726 2,728 4,730 15,731 5,734 3,738 3,741 3,744 1,747 18,748 7,749 3,750 8,751 1,753 1,758 0.667,759 6,772 3,776 1,781 1,789 1,791 2,794 1,795 1,797 28,801 2,802 2,803 1,804 1,806 2,814 1,815 13,817 2,818 3,820 1,822 15.667,823 8.376,824 6.111,825 2.657,827 2.108,828 1.292,829 0.917,830 6.035,831 9.316,832 3.689,833 4.263,834 4.775,835 5.307,836 5.81,837 5.944,838 6.179,839 6.353,840 6.451,841 6.559,842 1,843 47,844 10.522,846 4.766,847 8.278,848 18.897,850 15.561,853 2.778,854 77.778,857 1,858 176.567,859 99.801,860 18.011,861 39.149,862 171.801,865 99.801,866 387.517,867 18.011,868 8.825,869 23.08,870 56.857,871 173.607,872 27.243,874 176.567,875 39.149,876 176.567,877 117.811,878 171.801,879 39.149,880 94.169,881 254.199,884 31.905,885 85.906,886 39.149,888 176.567,889 189.812,890 138.949,893 176.567,894 34.118,895 65.683,896 18.011,897 210.95,898 176.567,899 189.812,900 138.949,901 0.591,902 0.347,903 0.189,904 0.108,905 20,906 11,907 0.104,908 5,909 1,910 1.125,911 3.762,912 243.347,913 0.125,914 16,915 130.606,918 20.335,919 8.31,920 4.38,922 189.812,923 10.039,928 0.244,930 103.377,931 505.328,932 39,936 36.349,939 -2.854,941 47.342,942 51.436,943 0.303,944 0.708,945 0.854,946 0.923,947 0.934,948 0.934,949 4.949,950 1.49,951 5.861,952 4.462,953 4.466,954 4.949,955 2.888,956 6.706,957 4.403,958 6.166,959 1.42,960 7.449,961 4.041,962 4.205,963 4.868,964 2.243,965 7.681,966 4.101,967 7.484,968 1,969 9.138,970 3.169,971 6.094,972 7.093,973 4.071,974 10.81,975 5.984,976 8.831,977 0.978,978 10.883,979 2.375,980 6.594,981 7.782,982 4.173,983 12.601,984 6.45,985 10.21,986 0.399,987 12.665,988 2.136,989 8.015,990 9.557,991 5.505,992 15.283,993 7.862,994 11.61,995 -0.108,996 14.474,997 1.034,998 8.868,999 10.617,1000 5.987,1001 17.44,1002 8.684,1003 13.03,1004 -0.142,1005 16.302,1006 -0.286,1007 10.115,1008 12.214,1009 7.079,1010 19.969,1011 9.917,1012 3.301,1013 -0.461,1014 18.146,1015 -0.363,1016 11.135,1017 13.468,1018 7.754,1019 22.293,1020 10.909,1021 2.859,1022 11.737,1023 20.003,1024 -1.181,1025 12.322,1026 14.989,1027 8.73,1028 24.77,1029 12.076,1030 2.644,1031 9.168,1032 21.871,1033 4.367,1034 13.423,1035 16.346,1036 9.501,1037 27.17,1038 13.149,1039 2.37,1040 8.333,1041 23.749,1042 3.476,1043 14.593,1044 17.836,1045 10.42,1046 29.631,1047 14.296,1048 2.334,1049 7.252,1050 25.635,1051 3.379,1052 15.734,1053 19.247,1054 11.239,1055 32.064,1056 15.409,1057 2.135,1058 6.641,1059 27.528,1060 3.011,1061 16.904,1062 20.724,1063 12.13,1064 34.522,1065 16.554,1066 1.636,1067 6.077,1068 29.427,1069 2.975,1070 18.066,1071 22.165,1072 12.973,1073 36.97,1074 17.687,1075 8718,1076 16423,1077 19.016,1078 31.443,1079 45.957,1080 48.281,1081 47.653,1082 45.227,1083 45.132,1084 57.406,1085 10.501,1086 132.848,1087 43.489,1088 5.594,1089 5.816,1090 6.772,1091 5.361,1092 5.301,1093 7.367,1094 4.05,1095 19.332,1096 5.215,1097 17.566,1098 1.532,1099 1.609,1100 1.588,1101 1.508,1102 1.504,1103 1.914,1104 0.35,1105 4.428,1106 1.45,1107 4.031,1108 4.04,1109 4.086,1110 3.954,1111 7.474,1112 3.96,1113 3.921,1114 3.948,1115 3.854,1116 3.86,1117 7.434,1118 3.852,1119 3.667,1120 3.699,1121 3.602,1122 3.475,1123 7.427,1124 3.496,1125 3.534,1126 3.566,1127 3.548,1128 3.368,1129 6.466,1130 3.374,1131 3.216,1132 3.236,1133 3.394,1134 3.006,1135 6.351,1136 3.027,1137 3.164,1138 3.152,1139 3.125,1140 2.982,1141 4.866,1142 3.001,1143 3.044,1144 3.072,1145 2.929,1146 2.817,1147 4.75,1148 2.84,1149 2.869,1150 2.938,1151 2.86,1152 2.735,1153 4.475,1154 2.715,1155 0.155,1156 0.127,1157 0.232,1158 0.143,1159 0.11,1160 4.647,1161 0.146,1162 3.816,1163 0.079,1164 6.97,1165 0.391,1166 4.278,1167 0.107,1168 3.301,1169 4.367,1170 2.375,1171 11.737,1172 3.215,1173 1.963,1174 1.956,1175 2.056,1176 2.065,1177 1.286,1178 2.056,1179 1.92,1180 1.892,1181 2.02,1182 2.008,1183 1.23,1184 2.021,1185 1.592,1186 1.556,1187 1.777,1188 1.809,1189 0.947,1190 1.794,1191 1.489,1192 1.449,1193 1.69,1194 1.683,1195 0.875,1196 1.687,1197 1.127,1198 1.095,1199 1.373,1200 1.379,1201 0.512,1202 1.357,1203 1.024,1204 1.026,1205 1.199,1206 1.266,1207 0.282,1208 1.222,1209 0.95,1210 0.922,1211 1.181,1212 1.243,1213 0.218,1214 1.218,1215 0.886,1216 0.821,1217 1.115,1218 1.136,1219 0.133,1220 1.129,1221 4.111,1222 5.451,1224 6.986,1226 8.618,1228 10.306,1229 1.69,1230 6.208,1233 19.9,1234 0.363,1235 2.37,1236 5.098,1238 -1.63,1243 30.879,1244 77.077,1245 179.78,1246 217.064,1247 234.574,1248 237.329,1249 237.329,1250 91.648,1251 7.208,1252 112.93,1253 112.93,1254 18,1255 12.615,1256 4,1257 3.322,1258 49.556,1259 105,1260 106,1261 0.233,1262 193.195,1263 350.87,1264 463.156,1265 12134,1266 2.2,1267 20.422,1268 0.729,1269 0.561,1270 20.922,1271 15.694,1272 13.274,1273 0.442,1274 0.299,1275 8.515,1276 12.452,1277 8.303,1278 6.821,1279 13.562,1280 8.983,1281 12.488,1282 0.29,1283 0.163,1284 12.859,1285 6.989,1286 9.967,1287 0.178,1288 0.086,1289 10.298,1290 4.825,1291 8.45,1292 0.114,1293 0.046,1294 8.765,1295 3.409,1296 6.884,1297 0.073,1298 0.026,1299 7.406,1300 2.409,1301 0.36,1302 86.93,1303 0.229,1304 26.446,1305 0.653,1306 146,1307 527.778,1308 178.851,1309 526.739,1310 679.14,1311 484,1312 172,1313 451.168,1314 199.275,1315 461.128,1316 677.22,1317 433,1318 6.125}
{0 CHEMBL6,1 1.633,2 9.12,3 4.211,4 17.728,5 94.3,6 8.727,7 0.593,8 3.823,9 3.905,10 3.511,11 3.41,12 5.057,13 3.404,14 4.317,15 4.442,16 3.911,17 3.79,18 5.608,19 3.771,20 4.516,21 4.643,22 3.997,23 3.94,24 5.758,25 3.911,26 4.631,27 4.78,28 3.98,29 3.978,30 5.859,31 3.935,32 4.704,33 4.88,34 3.991,35 3.958,36 5.976,37 3.918,38 4.707,39 4.873,40 3.925,41 3.911,42 6.005,43 3.859,44 4.607,45 4.797,46 3.783,47 3.78,48 6.021,49 3.691,50 4.446,51 4.676,52 3.596,53 3.577,54 5.619,55 3.454,56 0.097,57 0.516,58 6.165,59 3.714,60 11.249,61 4.102,62 0.349,63 0.832,64 13.068,65 6.173,66 43.07,67 7.179,68 0.392,69 1.004,70 18.029,71 7.415,72 46.358,73 8.04,74 0.366,75 1.139,76 19.857,77 8.443,78 39.223,79 9.711,80 0.548,81 1.182,82 22.251,83 9.368,84 62.855,85 11.176,86 0.667,87 1.133,88 23.836,89 9.359,90 95.541,91 10.334,92 0.839,93 1.026,94 22.337,95 8.752,96 107.566,97 10.777,98 0.366,99 0.848,100 21.896,101 8.151,102 44.995,103 10.297,104 42,105 39,106 0.285,107 0.657,108 0.786,109 0.852,110 0.852,111 0.852,112 3.268,113 0.889,114 -4.55,115 -4.47,116 -4.21,117 46.3,118 1,119 1,122 1,133 7,134 3,135 2,143 2,147 2,156 1,159 1,160 8,161 1,163 1,164 9,167 1,169 1,172 11,173 1,176 10,181 1,184 10,185 1,188 10,189 1,193 1,196 9,197 2,202 2,203 6,206 1,208 2,211 13,212 1,216 4,217 2,221 1,224 14,225 2,227 3,228 3,231 2,233 2,236 6,237 2,240 4,245 2,247 4,248 2,252 4,257 2,260 3,264 898,265 16.508,266 16.508,267 16.508,268 16.508,269 16.508,270 14.293,271 16.444,272 9.49,273 16.907,274 13.217,275 13.217,276 13.217,277 13.217,278 13.217,279 9.758,280 16.945,281 4.413,282 13.811,283 3.725,284 1.593,285 0.858,286 0.476,287 0.476,288 0.476,289 3.942,290 1,292 1,293 1,294 476,295 3.464,297 53.099,298 139.867,301 99.336,303 1.344,304 33.988,306 1,307 1,308 1,309 1,310 0.6,311 0.5,312 1,313 1,314 0.87,315 54.833,316 228,317 4.804,318 3.777,319 7.137,320 4.363,321 3.393,322 4.762,323 2.397,324 12.41,325 3.289,326 4.186,327 3.626,328 6.275,329 3.8,330 2.803,331 3.779,332 0.98,333 9.265,334 2.794,335 3.847,336 3.194,337 5.67,338 3.431,339 2.474,340 3.348,341 0.86,342 7.367,343 2.374,344 3.731,345 2.906,346 5.555,347 3.313,348 2.369,349 3.109,350 0.242,351 7.07,352 2.218,353 3.516,354 2.773,355 5.171,356 3.091,357 2.144,358 2.799,360 6.111,361 1.97,362 3.299,363 2.191,364 4.987,365 2.862,366 1.887,367 2.53,369 5.715,370 1.825,371 3.213,372 2.053,373 4.591,374 2.762,375 1.807,376 2.476,378 4.814,379 1.681,380 2.682,381 1.923,382 4.13,383 2.17,384 1.169,385 1.683,387 3.104,388 1.143,389 2.5,390 1.161,391 3.604,392 2,393 1,394 1.5,396 2.275,397 1,398 2.253,399 1.118,400 3.414,401 1.779,402 0.778,403 1.08,405 1.97,406 0.765,407 1.675,408 1,409 3.055,410 1.399,411 0.515,412 0.575,414 0.875,415 0.449,416 1.278,417 0.751,418 2.782,419 0.986,420 0.026,421 0.031,423 0.056,424 0.024,425 1.114,426 0.49,427 2.551,428 0.604,429 -0.272,430 -0.353,432 -0.582,433 -0.193,434 0.841,435 0.414,436 2.212,437 0.433,438 -0.576,439 -0.736,441 -1.453,442 -0.566,443 0.675,444 -0.111,445 2.185,446 0.237,447 -0.73,448 -0.923,450 -1.862,451 -0.685,452 11.948,453 0.478,454 0.754,455 0.03,456 33.25,457 1.33,458 17.5,459 0.7,460 15.75,461 0.63,462 19.773,463 0.791,464 26.452,465 0.645,466 26.306,467 1.052,468 6.899,469 0.276,470 5.019,471 0.201,472 0.227,474 0.41,476 0.729,477 1.165,478 0.591,479 0.927,480 0.658,481 0.848,482 0.677,483 1.015,484 0.606,485 0.784,486 0.477,487 0.762,488 1.099,489 1.051,490 1.02,491 0.941,492 0.983,493 0.945,494 0.92,495 1.209,496 0.945,497 1.145,498 0.902,499 1.12,500 0.867,501 0.989,502 0.651,503 0.941,504 1.133,505 0.942,506 1.183,507 1.041,508 0.871,509 1.052,510 1.372,511 1.095,512 0.631,513 0.958,514 0.779,515 0.963,516 0.584,517 1.061,518 0.83,519 1.064,520 0.857,521 1.027,522 0.804,523 1.025,524 5.5,525 0.107,526 3.111,527 2.674,528 2.046,529 1.431,530 0.736,531 0.478,532 0.269,533 0.096,534 5956,535 21559,536 1.992,537 39,539 10,542 1,543 5,547 1.688,548 1.807,549 3.137,550 -0.317,552 1,555 66.949,556 1.633,557 3.765,558 4.5,559 4.882,560 4.882,561 4.882,562 2.649,563 4.324,564 4.609,565 3.266,566 979.934,567 8.02,568 11420.4,570 1,572 1,573 219.66,574 1.554,575 4.541,576 0.204,577 0.015,578 0.08,579 0.064,580 0.05,581 0.035,582 0.021,583 0.016,584 0.013,585 0.007,586 0.505,587 0.17,588 1,589 1.157,590 117.786,591 -0.063,592 -0.091,593 0.008,594 -0.008,595 -0.087,596 0.015,597 0.101,598 0.043,599 0.119,600 0.148,601 0.142,602 0.145,603 -0.212,604 0.012,605 -0.17,606 -0.006,607 -0.134,608 -0.054,609 -0.12,610 -0.155,611 -0.171,612 -0.221,613 -0.061,614 -0.202,615 0.039,616 0.013,617 0.063,618 -0.011,619 -0.056,620 0.018,621 -0.113,622 -0.076,623 -0.082,624 -0.109,625 -0.167,626 -0.147,627 0.345,629 0.058,630 -0.003,631 0.332,632 -0.065,633 0.024,634 -0.165,635 0.205,636 -0.009,637 0.058,638 0.059,639 2.621,640 5.987,641 0.6,642 20.784,643 1.02,644 1.112,645 3.318,646 11.006,647 0.702,648 3.332,649 3.689,650 3.989,651 4.304,652 4.585,653 4.7,654 4.844,655 4.905,656 4.812,657 4.771,658 5.369,659 0.681,660 357.81,661 3.332,662 4.89,663 5.759,664 6.666,665 7.566,666 8.484,667 9.398,668 10.322,669 11.244,670 12.172,671 2.4,679 1,686 2,687 7,692 5,693 1,694 16,705 1,706 1,707 41,709 18,710 2,711 27,712 43,713 19,714 14,715 5,716 7,717 1,718 3,719 4,720 1,723 1,728 1,730 16,731 3,734 2,738 2,741 2,744 1,747 16,748 4,749 1,750 6,751 1,753 1,758 0.667,759 4,769 1,771 1,772 2,775 1,781 1,789 1,791 2,794 2,795 1,797 25,801 1,802 1,804 1,814 1,815 9.8,817 1,818 2,820 1,822 13.833,823 8.126,824 5.528,825 2.277,827 3.089,828 1.433,829 0.959,830 4.839,831 10.223,832 3.638,833 4.301,834 4.943,835 5.61,836 6.204,837 6.58,838 7.016,839 7.379,840 7.531,841 7.808,842 1,843 42,844 9.247,846 3.989,847 8.064,848 17.051,850 13.813,853 2.564,854 64.111,857 1,858 176.567,859 116.78,860 1.899,861 39.149,862 103.973,865 116.78,866 319.688,867 1.899,868 19.708,869 2.535,870 66.334,871 98.588,872 30.587,873 4.901,874 176.567,875 39.149,876 176.567,877 118.679,878 103.973,879 39.149,880 176.567,881 103.973,884 13.259,885 105.42,886 39.149,888 176.567,889 105.872,890 155.929,893 176.567,894 30.738,895 87.941,897 143.122,898 176.567,899 105.872,900 155.929,901 0.587,902 0.345,903 0.191,904 0.119,905 19,906 10,907 0.093,908 4,909 1,910 1.133,911 3.481,912 214.034,913 0.133,914 15,915 112.096,918 17.522,919 6.904,920 3.277,921 1.344,922 103.973,923 11.866,928 2.827,929 1.538,930 42.683,931 438.367,932 37,936 24.253,939 -1.19,941 41.804,942 45.602,943 0.305,944 0.703,945 0.84,946 0.911,947 0.911,948 0.911,949 4.883,950 1.169,951 5.778,952 4.814,953 4.369,954 4.987,955 2.631,956 6.65,957 4.296,958 6.133,959 1,960 7.38,961 3.104,962 4.111,963 4.987,964 2.243,965 7.692,966 3.982,967 7.474,968 0.778,969 9.082,970 2.275,971 6.019,972 7.293,973 3.809,974 10.845,975 5.89,976 8.853,977 0.515,978 10.844,979 1.97,980 6.553,981 8.106,982 4.213,983 12.745,984 6.379,985 10.264,986 0.026,987 12.646,988 0.875,989 7.987,990 9.936,991 5.364,992 15.463,993 7.809,994 11.7,995 -0.272,996 14.476,997 0.056,998 8.887,999 11.141,1000 6.05,1001 17.732,1002 8.673,1003 13.157,1004 -0.576,1005 16.329,1006 -0.582,1007 10.156,1008 12.792,1009 7.044,1010 20.309,1011 9.928,1012 3.393,1013 -0.73,1014 18.2,1015 -1.453,1016 11.228,1017 14.188,1018 7.838,1019 22.729,1020 10.966,1021 2.803,1022 12.41,1023 20.087,1024 -1.862,1025 12.445,1026 15.772,1027 8.766,1028 25.261,1029 12.161,1030 2.474,1031 9.265,1032 21.987,1033 4.762,1034 13.595,1035 17.257,1036 9.604,1037 27.74,1038 13.278,1039 2.369,1040 7.367,1041 23.896,1042 3.779,1043 14.801,1044 18.82,1045 10.503,1046 30.26,1047 14.456,1048 2.144,1049 7.07,1050 25.815,1051 3.348,1052 15.986,1053 20.345,1054 11.361,1055 32.761,1056 15.607,1057 1.887,1058 6.111,1059 27.741,1060 3.109,1061 17.193,1062 21.901,1063 12.247,1064 35.278,1065 16.784,1066 1.807,1067 5.715,1068 29.674,1069 2.799,1070 18.394,1071 23.444,1072 13.113,1073 37.789,1074 17.952,1075 6000,1076 11497,1077 17.224,1078 28.773,1079 41.267,1080 42.969,1081 43.621,1082 40.895,1083 40.732,1084 55.339,1085 8.959,1086 122.066,1087 39.062,1088 5.581,1089 5.777,1090 6.683,1091 5.379,1092 5.393,1093 7.762,1094 4.03,1095 20.083,1096 5.289,1097 15.279,1098 1.528,1099 1.591,1100 1.616,1101 1.515,1102 1.509,1103 2.05,1104 0.332,1105 4.521,1106 1.447,1107 4.171,1108 4.196,1109 4.151,1110 4.082,1111 7.474,1112 4.094,1113 3.888,1114 3.906,1115 3.975,1116 3.841,1117 7.428,1118 3.833,1119 3.589,1120 3.612,1121 3.536,1122 3.446,1123 6.351,1124 3.454,1125 3.452,1126 3.469,1127 3.469,1128 3.209,1129 4.956,1130 3.246,1131 3.19,1132 3.27,1133 3.279,1134 2.979,1135 4.911,1136 2.991,1137 3.156,1138 3.178,1139 2.979,1140 2.931,1141 4.564,1142 2.931,1143 2.915,1144 2.971,1145 2.899,1146 2.759,1147 4.271,1148 2.752,1149 2.854,1150 2.925,1151 2.724,1152 2.735,1153 4.072,1154 2.715,1155 0.178,1156 0.14,1157 0.264,1158 0.162,1159 0.126,1160 4.804,1161 0.176,1162 3.777,1163 0.089,1164 7.137,1165 0.46,1166 4.363,1167 0.122,1168 3.393,1169 4.762,1170 2.397,1171 12.41,1172 3.289,1173 1.951,1174 1.934,1175 2.023,1176 2.052,1177 1.199,1178 2.042,1179 1.89,1180 1.872,1181 1.976,1182 1.967,1183 1.101,1184 1.973,1185 1.678,1186 1.642,1187 1.825,1188 1.832,1189 0.985,1190 1.832,1191 1.333,1192 1.303,1193 1.588,1194 1.611,1195 0.669,1196 1.59,1197 1.185,1198 1.124,1199 1.53,1200 1.492,1201 0.572,1202 1.501,1203 1.066,1204 1.027,1205 1.238,1206 1.302,1207 0.321,1208 1.298,1209 0.898,1210 0.849,1211 1.181,1212 1.115,1213 0.218,1214 1.117,1215 0.886,1216 0.821,1217 1.129,1218 1.062,1219 0.206,1220 1.107,1221 4.007,1222 5.352,1223 2.398,1224 6.893,1225 4.949,1226 8.526,1227 7.222,1228 10.213,1229 3.291,1230 5.886,1233 9.233,1234 -0.17,1236 5.233,1243 27.923,1244 66.949,1245 154.357,1246 184.498,1247 200.15,1248 200.15,1249 200.15,1250 54.68,1251 7.134,1252 68.53,1253 68.53,1254 17,1255 12.677,1256 4.248,1257 3.459,1258 41.385,1259 78,1260 92,1261 0.266,1262 175.61,1263 305.09,1264 420.249,1265 10064,1266 2.4,1267 18.137,1268 0.725,1269 0.58,1270 18.637,1271 14.502,1272 11.918,1273 0.441,1274 0.296,1275 7.543,1276 11.149,1277 7.266,1278 6.019,1279 12.207,1280 7.999,1281 11.024,1282 0.283,1283 0.156,1284 11.432,1285 6.101,1286 9.123,1287 0.172,1288 0.083,1289 9.411,1290 4.416,1291 7.654,1292 0.105,1293 0.042,1294 7.821,1295 3.073,1296 6.52,1297 0.067,1298 0.023,1299 6.734,1300 2.195,1301 0.399,1302 78.03,1303 0.241,1304 23.651,1305 0.788,1306 132,1307 445.205,1308 160.121,1309 453.521,1310 596.99,1311 420,1312 158,1313 404.937,1314 179.063,1315 419.632,1316 613.77,1317 393,1318 5.225}
{0 CHEMBL617,1 1.88,2 10.654,3 0.489,4 0.239,5 95.818,6 9.44,7 0.179,8 3.87,9 3.942,10 3.695,11 3.454,12 5.099,13 3.422,14 4.385,15 4.498,16 4.072,17 3.823,18 5.735,19 3.755,20 4.565,21 4.694,22 4.049,23 3.885,24 5.817,25 3.815,26 4.649,27 4.793,28 4.177,29 3.862,30 5.95,31 3.839,32 4.686,33 4.826,34 4.177,35 3.778,36 6.314,37 3.77,38 4.548,39 4.707,40 3.918,41 3.72,42 5.913,43 3.644,44 4.417,45 4.569,46 3.966,47 3.658,48 5.922,49 3.585,50 4.341,51 4.494,52 3.706,53 3.494,54 5.959,55 3.424,56 0.203,57 0.613,58 6.141,59 4.297,60 26.694,61 4.064,62 0.594,63 1.006,64 18.591,65 7.787,66 67.682,67 7.606,68 0.756,69 1.143,70 23.052,71 8.903,72 97.778,73 8.248,74 0.755,75 1.179,76 25.981,77 9.291,78 105.172,79 8.841,80 1.243,81 1.125,82 26.161,83 9.133,84 204.687,85 8.574,86 0.962,87 1.027,88 26.306,89 8.766,90 129.234,91 8.084,92 0.743,93 0.942,94 25.88,95 8.246,96 114.63,97 7.616,98 0.824,99 0.796,100 17.917,101 6.938,102 154.425,103 6.792,104 43,105 40,106 0.331,107 0.719,108 0.886,109 0.903,110 0.903,111 0.903,112 3.304,113 1.035,114 -2.28,115 -2.31,116 -2.28,117 38.1,118 1,119 1,123 2,125 1,126 1,129 1,131 1,133 2,142 1,143 1,147 4,156 1,159 1,160 1,163 2,164 6,165 1,167 2,169 1,172 5,173 1,175 1,176 1,179 3,181 2,184 1,187 1,188 6,189 2,193 2,196 1,197 1,202 4,203 5,206 2,208 3,209 1,211 1,215 2,216 2,217 1,219 1,220 1,224 1,225 1,227 1,228 6,229 1,231 2,233 1,236 3,237 1,239 2,240 4,243 1,245 1,247 1,251 1,252 1,255 1,257 1,260 2,261 2,264 1006,265 17.052,266 17.052,267 17.052,268 17.052,269 17.052,270 15.534,271 18.845,272 10,273 17.624,274 13.812,275 13.812,276 13.812,277 13.812,278 13.812,279 11.38,280 19.255,281 4.744,282 14.717,283 3.512,284 1.305,285 0.351,286 0.256,287 0.256,288 0.256,289 3.975,292 1,293 1,294 579,295 4.062,296 51.628,297 79.308,298 77.88,300 106.595,303 1.911,304 48.268,307 1,308 1,309 1,310 1,311 1,312 0.83,313 1,314 0.98,315 59,316 277,317 4.609,318 4.612,319 7.225,320 4.383,321 3.44,322 3.933,323 3.435,324 12.761,325 3.241,326 4.089,327 3.809,328 6.378,329 3.775,330 2.793,331 3.511,332 2.455,333 9.601,334 2.732,335 3.961,336 3.657,337 5.504,338 3.554,339 2.609,340 3.303,341 2.013,342 7.425,343 2.469,344 3.551,345 3.616,346 5.188,347 3.199,348 2.238,349 2.718,350 1.956,351 6.033,352 2.123,353 3.5,354 3.56,355 4.996,356 3.075,357 2.106,358 2.697,359 1.437,360 5.569,361 2,362 3.252,363 2.999,364 4.848,365 2.92,366 1.955,367 2.324,368 1.059,369 5.043,370 1.868,371 2.858,372 2.629,373 4.625,374 2.5,375 1.572,376 1.83,377 0.642,378 4.584,379 1.414,380 2.594,381 2.559,382 4.578,383 2.322,384 1.373,385 1.618,386 0.34,387 4.095,388 1.289,389 2.463,390 1.995,391 3.596,392 2.077,393 1.117,394 1.412,395 0.155,396 2.504,397 1.055,398 2.118,399 1.752,400 3.369,401 1.678,402 0.757,403 0.927,404 0.026,405 1.855,406 0.669,407 2.05,408 1.385,409 3.115,410 1.499,411 0.618,412 0.878,414 1.372,415 0.521,416 1.786,417 1.205,418 3,419 1.463,420 0.577,421 0.651,423 1.356,424 0.507,425 0.972,426 0.669,427 2.797,428 0.703,429 -0.211,430 -0.225,432 -0.576,433 -0.187,434 0.912,435 0.618,436 2.478,437 0.559,438 -0.398,439 -0.439,441 -1.063,442 -0.37,443 0.826,444 0.539,445 2.324,446 0.485,447 -0.527,448 -0.673,450 -1.446,451 -0.51,452 12.467,453 0.479,454 0.792,455 0.03,456 28.5,457 1.096,458 11.5,459 0.442,460 17,461 0.654,462 24.801,463 0.954,464 28.933,465 0.689,466 21.905,467 0.842,468 5.454,469 0.21,470 6.926,471 0.266,472 0.174,474 0.393,476 0.756,477 1.179,478 0.695,479 0.88,480 0.609,481 0.852,482 0.602,483 1.176,484 1.057,485 1.116,486 0.474,487 0.981,488 1.044,489 1.052,490 1.211,491 1.093,492 1.025,493 1.1,494 1.067,495 1.166,496 0.919,497 1.119,498 1.064,499 0.997,500 1.081,501 1.026,502 0.812,503 0.913,504 1.201,505 0.931,506 1.202,507 0.863,508 1.156,509 0.932,510 1.32,511 0.961,512 0.904,513 0.974,514 0.993,515 1.036,516 0.889,517 0.955,518 1.075,519 0.952,520 0.917,521 0.861,522 1.082,523 1.013,524 5.5,525 0.133,526 2.667,527 2.847,528 1.839,529 1.285,530 0.696,531 0.535,532 0.232,533 0.151,534 7589,535 29501,536 1.992,537 38.1,539 7,540 2,542 2,543 5,547 1.692,548 1.814,549 3.361,550 0.403,552 1,555 78.968,556 1.88,557 4.087,558 5.041,559 5.136,560 5.136,561 5.136,562 2.936,563 3.825,564 4.664,565 3.565,566 1158.64,567 8.094,568 14488.9,570 1,573 226.477,574 1.549,575 4.601,576 0.196,577 0.009,578 0.07,579 0.077,580 0.046,581 0.034,582 0.023,583 0.018,584 0.01,585 0.009,586 0.492,587 0.33,588 1,589 1.315,590 127.399,591 -0.105,592 -0.066,593 0.034,594 0.066,595 -0.051,596 0.043,597 0.155,598 -0.066,599 -0.038,600 -0.031,601 0.143,602 -0.019,603 -0.138,604 0.011,605 -0.238,606 -0.081,607 -0.153,608 -0.164,609 -0.104,610 -0.163,611 0.026,612 -0.163,613 -0.118,614 -0.048,615 0.132,616 -0.09,617 0.097,618 -0.025,619 0.084,620 -0.016,621 -0.117,622 0.121,623 -0.116,624 0.065,625 -0.18,626 0.003,627 0.061,628 0.041,629 0.079,630 0.007,631 0.12,632 0.032,633 0.034,634 -0.045,635 -0.005,636 0.049,637 0.139,638 -0.053,639 2.922,640 5.428,641 0.5,642 27.053,643 1.036,644 1.119,645 1.046,646 1.093,647 0.699,648 3.367,649 3.714,650 3.989,651 4.277,652 4.454,653 4.575,654 4.727,655 4.736,656 4.754,657 4.736,658 6.378,659 0.676,660 396.48,661 3.367,662 4.92,663 5.778,664 6.683,665 7.575,666 8.492,667 9.402,668 10.327,669 11.248,670 12.178,671 4.8,678 2,687 3,691 1,692 1,694 5,707 42,708 1,709 10,711 28,712 44,713 16,714 4,717 3,718 3,719 4,723 1,726 1,728 2,730 10,731 6,734 5,738 4,741 6,744 1,747 16,748 8,749 2,750 10,751 2,753 2,758 0.667,759 6,770 1,771 1,772 1,774 1,779 1,780 1,781 1,782 1,783 1,784 1,789 1,791 2,792 1,793 2,794 1,797 26,801 1,802 3,803 1,804 1,805 1,806 2,807 1,811 1,815 14.3,817 1,818 4,820 1,822 14.333,823 7.733,824 5.694,825 2.265,827 1.189,828 1.166,829 0.92,830 5.923,831 8.345,832 3.597,833 4.099,834 4.493,835 4.939,836 5.12,837 5.262,838 5.561,839 5.569,840 5.682,841 5.8,842 1,843 37,844 9.754,846 4.372,847 8.288,848 17.703,850 14.666,853 2.788,854 72.5,858 164.795,859 131.762,860 21.135,862 154.263,864 63.497,865 68.265,866 319.058,867 21.135,868 8.825,869 29.162,870 26.602,871 163.53,872 14.185,873 24.901,874 204.75,876 164.795,877 89.4,878 154.263,879 63.497,880 164.795,881 154.263,884 37.987,885 48.656,886 2.757,887 63.497,888 164.795,889 175.398,890 131.762,893 164.795,894 96.335,895 38.551,896 18.011,897 154.263,898 164.795,899 175.398,900 131.762,901 0.585,902 0.331,903 0.185,904 0.1,905 19,906 10,907 0.159,908 7,909 1,910 1.154,911 3.739,912 214.374,913 0.154,914 13,915 122.211,916 2,918 19.235,919 8.006,920 4.091,922 175.398,923 5.542,927 1.452,928 0.886,930 60.694,931 471.955,932 35.5,936 47.111,939 -2.33,941 43.505,942 46.999,943 0.349,944 0.758,945 0.935,946 0.953,947 0.953,948 0.953,949 4.869,950 1.373,951 5.79,952 4.584,953 4.394,954 4.783,955 4.012,956 6.653,957 4.279,958 6.063,959 1.117,960 7.381,961 4.095,962 4.111,963 4.649,964 2.87,965 7.692,966 4.001,967 7.379,968 0.757,969 9.077,970 2.504,971 6.043,972 6.801,973 5.939,974 10.895,975 5.825,976 8.724,977 0.618,978 10.839,979 1.855,980 6.594,981 7.467,982 4.776,983 12.848,984 6.361,985 10.104,986 0.577,987 12.647,988 1.372,989 8.035,990 9.115,991 8.216,992 15.599,993 7.717,994 11.506,995 -0.211,996 14.488,997 1.356,998 8.964,999 10.132,1000 6.56,1001 17.915,1002 8.606,1003 12.928,1004 -0.398,1005 16.357,1006 -0.576,1007 10.24,1008 11.592,1009 10.614,1010 20.523,1011 9.811,1012 3.44,1013 -0.527,1014 18.246,1015 -1.063,1016 11.336,1017 12.776,1018 8.338,1019 22.977,1020 10.854,1021 2.793,1022 12.761,1023 20.152,1024 -1.446,1025 12.564,1026 14.162,1027 13.054,1028 25.539,1029 12.016,1030 2.609,1031 9.601,1032 22.071,1033 3.933,1034 13.733,1035 15.426,1036 10.163,1037 28.047,1038 13.125,1039 2.238,1040 7.425,1041 24.001,1042 3.511,1043 14.952,1044 16.785,1045 15.51,1046 30.596,1047 14.28,1048 2.106,1049 6.033,1050 25.939,1051 3.303,1052 16.154,1053 18.091,1054 12.085,1055 33.125,1056 15.419,1057 1.955,1058 5.569,1059 27.884,1060 2.718,1061 17.375,1062 19.441,1063 17.972,1064 35.67,1065 16.576,1066 1.572,1067 5.043,1068 29.834,1069 2.697,1070 18.592,1071 20.769,1072 14.151,1073 38.209,1074 17.73,1075 7551,1076 14981,1077 17.918,1078 29.364,1079 43.234,1080 46.85,1081 44.27,1082 42.176,1083 42.311,1084 51.604,1085 27.037,1086 124.396,1087 39.776,1088 5.609,1089 6.362,1090 6.84,1091 5.542,1092 5.44,1093 6.58,1094 6.869,1095 20.761,1096 5.148,1097 15.89,1098 1.544,1099 1.673,1100 1.581,1101 1.506,1102 1.511,1103 1.843,1104 0.966,1105 4.443,1106 1.421,1107 3.996,1108 4.021,1109 4.222,1110 3.932,1111 7.475,1112 3.88,1113 3.866,1114 3.875,1115 4.099,1116 3.856,1117 7.435,1118 3.811,1119 3.636,1120 3.658,1121 3.579,1122 3.442,1123 7.43,1124 3.464,1125 3.493,1126 3.515,1127 3.46,1128 3.255,1129 7.423,1130 3.282,1131 3.339,1132 3.361,1133 3.392,1134 3.145,1135 6.351,1136 3.16,1137 3.199,1138 3.202,1139 3.271,1140 2.986,1141 4.663,1142 2.968,1143 2.91,1144 2.974,1145 2.948,1146 2.725,1147 4.518,1148 2.687,1149 2.705,1150 2.789,1151 2.682,1152 2.415,1153 4.258,1154 2.442,1155 0.165,1156 0.165,1157 0.258,1158 0.157,1159 0.123,1160 4.609,1161 0.14,1162 4.612,1163 0.123,1164 7.225,1165 0.456,1166 4.383,1167 0.116,1168 3.44,1169 3.933,1170 3.435,1171 12.761,1172 3.241,1173 1.887,1174 1.864,1175 1.937,1176 2.051,1177 1.306,1178 2.034,1179 1.642,1180 1.619,1181 1.778,1182 1.816,1183 1.016,1184 1.803,1185 1.512,1186 1.483,1187 1.707,1188 1.722,1189 0.935,1190 1.715,1191 1.416,1192 1.392,1193 1.626,1194 1.605,1195 0.695,1196 1.608,1197 1.373,1198 1.342,1199 1.513,1200 1.5,1201 0.65,1202 1.537,1203 1.038,1204 1.035,1205 1.22,1206 1.376,1207 0.487,1208 1.323,1209 1.006,1210 0.999,1211 1.168,1212 1.181,1213 0.253,1214 1.22,1215 0.868,1216 0.808,1217 1.025,1218 1.128,1219 0.129,1220 1.162,1221 4.043,1222 5.416,1223 2.398,1224 6.987,1225 4.443,1226 8.669,1227 6.26,1228 10.42,1229 1.23,1233 9.466,1234 0.314,1235 2.683,1236 4.875,1237 1.336,1238 -1.223,1239 1.158,1243 28.393,1244 78.968,1245 171.669,1246 211.722,1247 215.722,1248 215.722,1249 215.722,1250 76.564,1251 7.156,1252 113.01,1253 166.55,1254 15,1255 12.682,1256 3.459,1257 3.087,1258 44.314,1259 99,1260 92,1261 0.226,1262 181.404,1263 330.66,1264 434.385,1265 10977,1267 18.845,1268 0.725,1269 0.592,1270 19.552,1271 15.393,1272 12.38,1273 0.442,1274 0.345,1275 7.756,1276 10.804,1277 7.407,1278 6.038,1279 13.288,1280 9.661,1281 11.621,1282 0.291,1283 0.197,1284 12.755,1285 7.886,1286 8.956,1287 0.169,1288 0.116,1289 10.295,1290 6.147,1291 7.688,1292 0.108,1293 0.067,1294 9.239,1295 4.735,1296 5.914,1297 0.07,1298 0.038,1299 7.232,1300 3.193,1301 0.352,1302 88.065,1303 0.236,1304 25.16,1305 0.626,1306 136,1307 526.526,1308 200.98,1309 526.937,1310 680.51,1311 488,1312 161,1313 434.99,1314 217.705,1315 455.468,1316 671.72,1317 426,1318 7.398}
{0 CHEMBL815,1 1.289,2 12.64,3 2.958,4 8.752,5 100.47,6 6.009,8 4.109,9 4.236,10 3.422,11 3.566,12 5.122,13 3.503,14 4.692,15 4.884,16 3.717,17 3.972,18 5.698,19 3.855,20 5.071,21 5.332,22 3.738,23 4.114,24 5.965,25 3.957,26 5.08,27 5.354,28 3.687,29 4.084,30 6.035,31 3.913,32 5.011,33 5.287,34 3.633,35 4.012,36 5.932,37 3.851,38 4.948,39 5.211,40 3.674,41 3.975,42 5.937,43 3.829,44 4.979,45 5.237,46 3.571,47 3.967,48 5.966,49 3.804,50 4.962,51 5.247,52 3.466,53 3.92,54 5.809,55 3.737,56 0.089,57 0.737,58 14.696,59 6.275,60 20.874,61 8.456,62 0.232,63 1.182,64 25.73,65 10.198,66 54.704,67 14.317,68 0.417,69 1.45,70 36.664,71 12.511,72 83.945,73 18.312,74 0.542,75 1.422,76 36.864,77 12.32,78 102.547,79 18.184,80 0.426,81 1.32,82 34.328,83 11.404,84 86.118,85 16.83,86 0.449,87 1.262,88 32.588,89 10.869,90 89.229,91 15.96,92 0.573,93 1.263,94 33.792,95 10.855,96 102.742,97 15.971,98 0.438,99 1.22,100 32.47,101 10.571,102 80.81,103 15.738,104 65,105 31,106 0.216,107 0.495,108 0.749,109 0.9,110 0.923,111 0.923,112 3.265,113 1.145,114 -3.44,115 -3.42,116 -3.27,117 33.9,118 1,119 9,120 2,125 3,128 4,147 1,156 1,159 1,160 13,161 1,164 1,167 1,169 7,172 14,173 1,176 1,181 7,184 13,185 1,188 1,192 1,193 7,196 12,197 1,203 1,208 6,211 10,212 1,216 1,220 1,221 7,224 11,225 1,228 1,232 1,233 6,236 10,237 1,240 1,245 6,247 9,248 1,252 1,257 5,258 1,260 7,261 2,264 1176,265 16.441,266 16.441,267 16.441,268 16.441,269 16.441,270 15.82,271 15.633,272 10.401,273 16.553,274 12.304,275 12.304,276 12.304,277 12.304,278 12.304,279 11.347,280 15.699,281 4.94,282 12.525,283 4.594,284 2.936,285 1.424,286 0.521,287 0.386,288 0.386,289 3.91,292 1,293 1,294 612,295 4.472,297 87.064,303 2.266,304 37.071,307 1,308 0.83,309 0.83,310 1,311 1,312 0.83,313 0.5,314 0.86,315 55,316 316,317 4.172,318 3.596,319 6.682,320 4.13,321 3.148,322 3.21,323 2.341,324 10.723,325 3.088,326 3.552,327 3.336,328 5.354,329 3.336,330 2.374,331 2.713,332 0.765,333 6.314,334 2.275,335 3.503,336 2.813,337 5.027,338 3.241,339 2.236,340 2.572,342 5.958,343 2.223,344 3.209,345 2.38,346 4.663,347 3.002,348 2.041,349 2.269,351 5.184,352 1.956,353 2.989,354 2.148,355 4.657,356 2.761,357 1.78,358 1.989,360 4.755,361 1.74,362 2.746,363 1.912,364 3.799,365 2.618,366 1.628,367 1.727,369 3.45,370 1.607,371 2.572,372 1.648,373 3.621,374 2.539,375 1.555,376 1.57,378 3.08,379 1.523,380 2.311,381 1.522,382 3.417,383 2.108,384 1.123,385 1.239,387 2.418,388 1.099,389 2.15,390 1.1,391 3.112,392 1.832,393 0.836,394 0.983,396 1.735,397 0.831,398 1.644,399 0.841,400 2.74,401 1.563,402 0.588,403 0.616,405 1.076,406 0.569,407 1.411,408 0.685,409 2.505,410 1.241,411 0.249,412 0.273,414 0.52,415 0.245,416 1.006,417 0.413,418 2.335,419 0.779,420 -0.203,421 -0.221,423 -0.432,424 -0.197,425 0.618,426 0.169,427 2.121,428 0.551,429 -0.418,430 -0.433,432 -0.725,433 -0.4,434 0.507,435 -0.072,436 1.85,437 0.332,438 -0.562,439 -0.566,441 -1.303,442 -0.491,443 0.437,444 -0.259,445 1.739,446 0.247,447 -0.724,448 -0.773,450 -1.625,451 -0.693,452 11.667,453 0.467,454 0.548,455 0.022,456 17.25,457 0.69,458 3.5,459 0.14,460 13.75,461 0.55,462 30.719,463 1.229,464 31.533,465 0.534,466 11.948,467 0.478,468 2.755,469 0.11,470 9.197,471 0.368,472 0.186,474 0.257,476 0.933,477 1.302,478 1.095,479 1.295,480 0.927,481 1.233,482 0.622,483 1.428,484 1.083,485 1.43,486 0.606,487 1.351,488 0.94,489 1.076,490 1.015,491 1.076,492 0.937,493 1.061,494 0.867,495 0.996,496 0.968,497 1,498 0.842,499 1.002,500 0.953,501 0.967,502 0.95,503 0.965,504 0.92,505 0.958,506 0.867,507 1.051,508 0.93,509 1.045,510 0.822,511 1.004,512 1.119,513 1.028,514 1.115,515 1.035,516 1.056,517 1.07,518 0.976,519 0.938,520 0.98,521 0.942,522 0.951,523 0.959,524 4.5,525 0.159,526 2.444,527 1.889,528 0.81,529 0.691,530 0.493,531 0.269,532 0.211,533 0.225,534 6876,535 17623,536 1.867,537 57.6,538 15,539 7,542 4,543 2,544 4,545 2,547 1.678,548 1.724,549 3.582,550 1.697,552 1,555 76.054,556 1.289,557 2.947,558 4.458,559 5.361,560 5.497,561 5.497,562 3.079,563 3.974,564 4.603,565 3.794,566 1138.29,567 7.96,568 15027.6,570 1,572 1,573 347.076,574 1.479,575 4.553,576 0.18,577 0.008,578 0.079,579 0.063,580 0.029,581 0.026,582 0.018,583 0.011,584 0.01,585 0.01,586 0.433,587 0.17,588 0.88,589 2.72,590 124.735,591 -0.106,592 0.103,593 -0.039,594 0.095,595 -0.113,596 0.047,597 0.074,598 -0.182,599 -0.096,600 -0.186,601 0.085,602 -0.174,603 -0.064,604 -0.051,605 -0.044,606 -0.049,607 -0.072,608 -0.044,609 0.008,610 -0.006,611 -0.007,612 -0.007,613 0.006,614 -0.01,615 -0.059,616 0.016,617 0.014,618 0.021,619 -0.05,620 0.029,621 0.042,622 -0.04,623 0.045,624 -0.033,625 0.048,626 0.002,627 -0.058,628 -0.037,629 -0.115,630 -0.048,631 -0.047,632 -0.087,633 -0.075,634 0.015,635 -0.023,636 0.015,637 -0.077,638 0.007,639 2.453,640 4.176,641 0.2,642 30.688,643 0.994,644 1.137,645 2.207,646 4.872,647 0.597,648 3.258,649 3.466,650 3.584,651 3.738,652 3.761,653 3.738,654 3.714,655 3.714,656 3.714,657 3.689,658 7.348,659 0.551,660 354.54,661 3.258,662 4.727,663 5.501,664 6.323,665 7.13,666 7.968,667 8.796,668 9.646,669 10.489,670 11.347,707 59,709 3,711 25,712 59,713 20,718 1,719 1,723 1,726 3,727 2,728 12,730 5,731 15,732 2,734 3,738 1,739 4,741 1,744 1,747 34,748 5,749 4,750 5,758 1,759 5,761 3,771 1,781 1,783 4,789 4,791 1,794 1,797 25,801 4,802 9,806 5,815 8.5,816 3,817 1,818 1,822 14.5,823 9.717,824 5.917,825 3.944,827 0.84,828 1.134,829 0.8,830 10.905,831 7.12,832 3.367,833 3.638,834 3.807,835 4.043,836 4.205,837 4.369,838 4.443,839 4.511,840 4.575,841 4.635,842 0.889,843 30,844 9.394,846 3.896,847 8.013,848 18,850 14.671,853 2.513,854 62.833,857 1,858 353.133,859 70.451,862 195.878,865 70.451,866 549.011,868 8.825,869 22.811,870 165.955,871 68.738,874 353.133,876 353.133,877 70.451,878 195.878,880 282.506,881 138.455,882 128.05,884 31.636,885 0.91,886 37.905,888 353.133,889 195.878,890 70.451,893 353.133,894 23.721,895 46.73,897 195.878,898 353.133,899 195.878,900 70.451,901 0.549,902 0.29,903 0.146,904 0.075,905 9,906 6,907 0.203,908 12,910 1,911 3.751,912 170.895,914 5,915 114.096,918 22.042,919 12.369,920 8.774,922 195.878,930 170.733,931 619.462,932 28,936 10.46,937 7.526,939 -0.787,941 58.658,942 67.105,943 0.219,944 0.501,945 0.758,946 0.911,947 0.934,948 0.934,949 4.575,950 1.123,951 5.442,952 3.08,953 4.143,954 4.317,955 2.373,956 6.151,957 4.103,958 5.659,959 0.836,960 6.942,961 2.418,962 3.611,963 3.761,964 2.243,965 6.952,966 3.501,967 6.872,968 0.588,969 8.554,970 1.735,971 5.617,972 5.948,973 3.646,974 10.044,975 5.54,976 8.112,977 0.249,978 10.237,979 1.076,980 5.943,981 6.176,982 4.112,983 11.812,984 5.803,985 9.387,986 -0.203,987 11.97,988 0.52,989 7.418,990 7.838,991 5.204,992 14.431,993 7.3,994 10.687,995 -0.418,996 13.74,997 -0.432,998 8.181,999 8.465,1000 5.889,1001 16.585,1002 8.016,1003 12.007,1004 -0.562,1005 15.539,1006 -0.725,1007 9.442,1008 9.884,1009 6.849,1010 19.047,1011 9.284,1012 3.148,1013 -0.724,1014 17.361,1015 -1.303,1016 10.419,1017 10.735,1018 7.625,1019 21.342,1020 10.227,1021 2.374,1022 10.723,1023 19.2,1024 -1.625,1025 11.6,1026 12.03,1027 8.526,1028 23.747,1029 11.403,1030 2.236,1031 6.314,1032 21.053,1033 3.21,1034 12.673,1035 13.009,1036 9.342,1037 26.092,1038 12.45,1039 2.041,1040 5.958,1041 22.916,1042 2.713,1043 13.827,1044 14.239,1045 10.216,1046 28.477,1047 13.592,1048 1.78,1049 5.184,1050 24.787,1051 2.572,1052 14.941,1053 15.295,1054 11.051,1055 30.839,1056 14.684,1057 1.628,1058 4.755,1059 26.665,1060 2.269,1061 16.088,1062 16.491,1063 11.912,1064 33.216,1065 15.815,1066 1.555,1067 3.45,1068 28.548,1069 1.989,1070 17.22,1071 17.591,1072 12.755,1073 35.585,1074 16.927,1075 7346,1076 11849,1077 15.603,1078 35.216,1079 35.878,1080 35.915,1081 36.595,1082 35.271,1083 35.115,1084 38.321,1085 6.211,1086 90.425,1087 34.315,1088 5.085,1089 5.468,1090 6.593,1091 5.111,1092 5.128,1093 5.599,1094 3.925,1095 17.488,1096 5.069,1097 16.292,1098 1.435,1099 1.437,1100 1.464,1101 1.411,1102 1.405,1103 1.533,1104 0.248,1105 3.617,1106 1.373,1107 3.974,1108 4.011,1109 3.874,1110 3.875,1111 7.474,1112 3.869,1113 3.76,1114 3.817,1115 3.623,1116 3.639,1117 6.465,1118 3.625,1119 3.736,1120 3.784,1121 3.599,1122 3.605,1123 6.449,1124 3.593,1125 3.54,1126 3.597,1127 3.399,1128 3.396,1129 6.434,1130 3.385,1131 3.48,1132 3.518,1133 3.353,1134 3.309,1135 6.351,1136 3.311,1137 3.223,1138 3.302,1139 3.024,1140 3.063,1141 4.429,1142 3.04,1143 3.157,1144 3.205,1145 2.99,1146 2.921,1147 4.288,1148 2.93,1149 2.979,1150 3.035,1151 2.797,1152 2.704,1153 4.157,1154 2.703,1155 0.167,1156 0.144,1157 0.267,1158 0.165,1159 0.126,1160 4.172,1161 0.128,1162 3.596,1163 0.094,1164 6.682,1165 0.429,1166 4.13,1167 0.124,1168 3.148,1169 3.21,1170 2.341,1171 10.723,1172 3.088,1173 1.84,1174 1.8,1175 2.037,1176 1.972,1177 1.37,1178 1.995,1179 1.773,1180 1.721,1181 2.004,1182 1.927,1183 1.33,1184 1.955,1185 1.68,1186 1.627,1187 1.903,1188 1.843,1189 1.23,1190 1.864,1191 1.593,1192 1.547,1193 1.822,1194 1.789,1195 1.15,1196 1.798,1197 1.477,1198 1.422,1199 1.747,1200 1.687,1201 1.015,1202 1.707,1203 1.361,1204 1.313,1205 1.612,1206 1.575,1207 0.796,1208 1.58,1209 1.161,1210 1.09,1211 1.468,1212 1.399,1213 0.649,1214 1.426,1215 0.972,1216 0.915,1217 1.302,1218 1.28,1219 0.51,1220 1.279,1221 3.932,1222 5.165,1223 2.398,1224 6.558,1225 4.844,1226 8.04,1227 6.986,1228 9.583,1229 2.123,1233 38.952,1234 6.407,1238 -1.849,1243 32.53,1244 76.054,1245 173.845,1246 263.037,1247 316.321,1248 324.321,1249 324.321,1250 123.998,1251 6.28,1252 97.99,1253 97.99,1254 5,1255 11.903,1256 2,1257 2,1258 71.876,1259 104,1260 122,1261 0.324,1262 206.423,1263 378.23,1264 495.432,1265 3962,1267 18.656,1268 0.746,1269 0.61,1270 18.656,1271 15.257,1272 11.952,1273 0.478,1274 0.382,1275 9.464,1276 11.597,1277 9.272,1278 7.728,1279 11.952,1280 9.546,1281 10.082,1282 0.325,1283 0.228,1284 10.082,1285 7.053,1286 7.118,1287 0.203,1288 0.14,1289 7.118,1290 4.911,1291 5.427,1292 0.132,1293 0.083,1294 5.427,1295 3.405,1296 3.718,1297 0.089,1298 0.049,1299 3.718,1300 2.064,1301 0.523,1302 74.596,1303 0.253,1304 25.142,1305 0.844,1306 112,1307 314.334,1308 122.739,1309 294.066,1310 367.34,1311 270,1312 122,1313 231.485,1314 130.306,1315 230.878,1316 330,1317 218,1318 5.962}
{0 CHEMBL897,1 1.647,2 7.842,3 2.821,4 7.957,5 73.71,6 7.511,7 0.316,8 3.698,9 3.796,10 3.451,11 3.233,12 4.766,13 3.164,14 4.254,15 4.429,16 3.711,17 3.582,18 5.636,19 3.484,20 4.496,21 4.7,22 3.816,23 3.741,24 5.654,25 3.62,26 4.626,27 4.818,28 3.763,29 3.721,30 5.929,31 3.629,32 4.553,33 4.738,34 3.515,35 3.685,36 5.801,37 3.561,38 4.558,39 4.811,40 3.329,41 3.597,42 5.558,43 3.426,44 4.392,45 4.662,46 3.128,47 3.386,48 5.819,49 3.194,50 4.131,51 4.45,52 2.555,53 3.032,54 4.956,55 2.82,56 0.1,57 0.533,58 11.275,59 4.05,60 20.451,61 4.9,62 0.429,63 0.819,64 17.616,65 6.443,66 69.072,67 8.114,68 0.273,69 1.002,70 28.026,71 8.886,72 47.202,73 10.478,74 0.617,75 1.015,76 31.72,77 8.644,78 109.358,79 9.942,80 0.518,81 0.944,82 28.124,83 8.598,84 100.483,85 10.162,86 0.475,87 0.897,88 25.689,89 8.093,90 95.378,91 10.981,92 0.665,93 0.747,94 20.902,95 6.873,96 123.782,97 9.859,98 0.23,99 0.543,100 16.041,101 5.078,102 42.923,103 7.475,104 52,105 26,106 0.302,107 0.589,108 0.713,109 0.732,110 0.732,111 0.732,112 3.01,113 1.217,114 -3.21,115 -3.2,116 -3.07,117 34.2,118 2,119 2,123 2,133 4,134 1,135 1,147 1,156 1,159 1,160 6,161 1,163 3,164 3,167 1,169 1,172 4,173 2,176 10,181 2,184 2,185 2,188 12,193 2,196 1,203 7,211 6,217 3,224 9,227 3,231 3,236 6,247 2,248 2,252 2,257 2,261 2,264 449,265 12.256,266 12.256,267 12.256,268 12.256,269 12.256,270 11.148,271 11.448,272 7.335,273 12.467,274 9.247,275 9.247,276 9.247,277 9.247,278 9.247,279 7.465,280 12.063,281 3.212,282 9.616,283 3.6,284 2.034,285 1.356,286 1.25,287 1.25,288 1.25,289 3.633,291 1,292 1,293 1,294 285,295 4.123,298 70.676,303 1.324,304 34.562,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 1,315 42.5,316 149,317 4.931,318 4.725,319 7.666,320 4.432,321 3.509,322 4.759,323 1.437,324 13.61,325 3.211,326 4.107,327 3.574,328 5.927,329 3.732,330 2.731,331 3.645,332 0.4,333 8.182,334 2.722,335 3.419,336 2.581,337 5.551,338 3.096,339 2.146,340 2.689,342 6.486,343 2.028,344 2.969,345 2.1,346 4.354,347 2.605,348 1.619,349 1.983,351 4.138,352 1.584,353 2.643,354 1.424,355 3.752,356 2.237,357 1.247,358 1.591,360 2.717,361 1.233,362 2.5,363 1.298,364 3.414,365 2.109,366 1.107,367 1.5,369 2.275,370 1.093,371 2.247,372 1,373 3.247,374 2,375 1,376 1.247,378 2.117,379 1,380 1.68,381 0.73,382 3.021,383 1.583,384 0.605,385 0.636,387 0.916,388 0.59,389 1,390 0.463,391 2.583,392 0.521,393 -0.445,394 -0.445,396 -0.632,397 -0.428,398 0.959,399 0.156,400 2,401 0.478,402 -0.5,403 -0.663,405 -1.188,406 -0.473,407 0.555,408 -0.287,409 2,411 -1,412 -1.05,414 -1.709,415 -0.968,416 0.5,417 -0.825,418 2,420 -1,421 -1.367,423 -2,424 -1,425 0.431,426 -1,427 1.81,429 -1,430 -1.5,432 -3,433 -1,434 0.101,435 -1,436 1.555,437 -0.011,438 -1,439 -1.802,441 -3,442 -1,443 -0.334,444 -1,445 1.049,446 -0.618,447 -1.54,448 -1.908,450 -4.485,451 -1.356,452 9.067,453 0.477,454 0.571,455 0.03,456 21.5,457 1.132,458 10.5,459 0.553,460 11,461 0.579,462 15.641,463 0.823,464 22.733,465 0.598,466 16.215,467 0.853,468 3.943,469 0.208,470 4.986,471 0.262,472 0.257,473 0.092,474 0.21,476 0.576,477 1.524,478 0.898,479 1.431,480 0.701,481 1.142,482 0.461,483 1.067,484 0.778,485 0.935,486 0.438,487 0.965,488 0.796,489 1.234,490 1.226,491 1.306,492 0.683,493 0.969,494 1.609,495 0.966,496 1.418,497 1.087,498 1.529,499 0.936,500 1.417,501 1.116,502 1.452,503 1.251,504 1.436,505 1.191,506 0.858,507 0.956,508 0.799,509 0.917,510 1.007,511 1.061,512 0.089,513 0.923,514 0.636,515 0.901,516 0.155,517 1.054,518 0.476,519 0.819,520 0.518,521 0.735,522 0.5,523 0.869,524 5,526 3.333,527 1.875,528 1.062,529 0.59,530 0.366,531 0.212,532 0.14,533 0.08,534 2549,535 8555,536 1.815,537 50,538 6,539 8,542 1,544 4,547 1.607,548 1.64,549 2.967,550 -0.198,551 1,552 1,554 1,555 62.605,556 1.647,557 3.214,558 3.892,559 3.998,560 3.998,561 3.998,562 2.465,563 3.511,564 4.213,565 3.119,566 533.347,567 7.199,568 5241.04,569 1,570 1,571 1,572 1,573 199.421,574 1.747,575 4.116,576 0.263,578 0.128,579 0.065,580 0.039,581 0.027,582 0.023,583 0.015,584 0.017,585 0.013,586 0.591,587 0.5,588 1,589 1.958,590 81.984,591 0.064,592 -0.2,593 0.232,594 -0.092,595 -0.122,596 -0.005,597 0.329,598 0.093,599 0.177,600 0.115,601 0.288,602 0.051,603 -0.013,604 -0.107,605 0.047,606 -0.06,607 0.075,608 0.082,609 -0.313,610 0.085,611 -0.19,612 0.014,613 -0.188,614 0.008,615 -0.281,616 -0.094,617 -0.352,618 -0.163,619 -0.206,620 -0.206,621 -0.055,622 -0.068,623 -0.003,624 -0.057,625 -0.146,626 -0.085,627 0.593,628 -0.051,629 0.111,630 -0.085,631 0.494,632 -0.078,633 0.105,634 -0.027,635 0.18,636 0.009,637 0.036,638 0.096,639 4.444,640 5.372,641 0.316,642 14.693,643 1.012,644 1.131,645 1.979,646 3.915,647 0.64,648 2.996,649 3.296,650 3.497,651 3.584,652 3.664,653 3.638,654 3.664,655 3.219,656 3.045,657 2.565,658 4.852,659 0.6,660 285.4,661 2.996,662 4.511,663 5.333,664 6.201,665 7.055,666 7.931,667 8.796,668 9.675,669 10.546,670 11.426,671 2.6,674 1,687 4,692 2,694 6,698 1,707 38,709 9,710 1,711 19,712 38,713 13,714 6,715 2,716 4,717 1,718 1,719 1,723 2,728 2,730 7,731 6,734 3,736 1,738 3,741 1,743 1,744 1,747 19,748 5,749 1,750 6,751 1,753 1,758 1,759 4,772 1,789 1,791 1,793 1,794 2,797 19,799 1,801 1,802 4,807 1,815 10.5,817 1,818 3,822 11.583,823 7.15,824 4.444,825 2.54,827 1.367,828 1.239,829 0.892,830 5.671,831 7.074,832 3.258,833 3.818,834 4.252,835 4.624,836 5.041,837 5.277,838 5.635,839 4.78,840 4.66,841 4.275,842 1,843 29,844 7.281,846 3.223,847 8.285,848 13.126,850 10.38,853 2.785,854 52.917,858 211.88,859 76.289,860 1.519,862 112.141,864 5.807,865 70.482,866 324.021,867 1.519,868 17.65,869 9.28,870 43.712,871 113.051,872 6.255,874 211.88,876 211.88,877 72.001,878 112.141,879 5.807,880 164.795,881 159.226,884 28.449,885 43.551,886 5.807,888 211.88,889 113.66,890 76.289,892 5.807,893 211.88,894 14.927,895 57.074,897 112.141,898 211.88,899 113.66,900 76.289,901 0.57,902 0.338,903 0.169,904 0.089,905 10,906 6,907 0.184,908 7,910 1,911 2.909,912 126.914,914 6,915 68.711,917 1,918 15.835,919 6.804,920 3.869,922 113.66,923 5.31,928 0.218,930 42.683,931 401.829,932 25,934 -3.527,936 35.485,939 -1.067,941 38.44,942 42.993,943 0.314,944 0.612,945 0.742,946 0.762,947 0.762,948 0.762,949 4.483,950 0.605,951 5.38,952 2.117,953 3.97,954 4.5,955 1.695,956 6.275,957 3.887,958 5.728,959 -0.445,960 7.022,961 0.916,962 3.892,963 4.771,965 7.738,966 3.699,967 7.103,968 -0.5,969 8.8,970 -0.632,971 5.707,972 6.856,973 2.259,974 10.785,975 5.487,976 8.533,977 -1,978 10.662,979 -1.188,980 6.463,981 7.951,983 13.054,984 6.115,985 10.007,986 -1,987 12.575,988 -1.709,989 7.864,990 9.653,991 2.923,992 15.773,993 7.471,994 11.512,995 -1,996 14.522,997 -2,998 8.933,999 11.034,1001 18.28,1002 8.415,1003 13.038,1004 -1,1005 16.494,1006 -3,1007 10.215,1008 12.63,1009 3.619,1010 20.921,1011 9.629,1012 3.509,1013 -1.54,1014 18.482,1015 -3,1016 11.396,1017 14.115,1019 23.5,1020 10.697,1021 2.731,1022 13.61,1023 20.482,1024 -4.485,1025 12.648,1026 15.681,1027 4.33,1028 26.12,1029 11.865,1030 2.146,1031 8.182,1032 22.491,1033 4.759,1034 13.872,1035 17.207,1037 28.72,1038 12.982,1039 1.619,1040 6.486,1041 24.507,1042 3.645,1043 15.119,1044 18.765,1045 5.047,1046 31.333,1047 14.138,1048 1.247,1049 4.138,1050 26.528,1051 2.689,1052 16.359,1053 20.309,1055 33.941,1056 15.277,1057 1.107,1058 2.717,1059 28.552,1060 1.983,1061 17.608,1062 21.866,1063 5.769,1064 36.552,1065 16.432,1066 1,1067 2.275,1068 30.58,1069 1.591,1070 18.855,1071 23.417,1073 39.162,1074 17.581,1075 2840,1076 5363,1077 11.326,1078 24.324,1079 27.939,1080 29.149,1081 30.075,1082 28.01,1083 27.931,1084 36.101,1085 3.673,1086 80.882,1087 26.925,1088 5.783,1089 6.725,1090 7.468,1091 5.474,1092 5.509,1093 7.759,1094 2.873,1095 21.566,1096 5.211,1097 12.683,1098 1.47,1099 1.534,1100 1.583,1101 1.474,1102 1.47,1103 1.9,1104 0.193,1105 4.257,1106 1.417,1107 4.093,1108 4.074,1109 4.741,1110 4.076,1111 7.715,1112 3.991,1113 3.766,1114 3.803,1115 3.771,1116 3.652,1117 7.475,1118 3.624,1119 3.528,1120 3.586,1121 3.455,1122 3.403,1123 6.999,1124 3.352,1125 3.501,1126 3.526,1127 3.279,1128 3.348,1129 6.351,1130 3.32,1131 3.17,1132 3.173,1133 3.142,1134 2.879,1135 4.647,1136 2.918,1137 2.919,1138 2.99,1139 2.687,1140 2.735,1141 4.224,1142 2.715,1143 2.854,1144 2.925,1145 2.684,1146 2.661,1147 4.04,1148 2.637,1149 2.698,1150 2.832,1151 2.332,1152 2.447,1153 3.674,1154 2.4,1155 0.26,1156 0.249,1157 0.403,1158 0.233,1159 0.185,1160 4.931,1161 0.25,1162 4.725,1163 0.076,1164 7.666,1165 0.716,1166 4.432,1167 0.169,1168 3.509,1169 4.759,1170 1.437,1171 13.61,1172 3.211,1173 1.975,1174 1.983,1175 1.998,1176 2.053,1177 1.301,1178 2.088,1179 1.722,1180 1.676,1181 1.948,1182 1.897,1183 1.121,1184 1.915,1185 1.539,1186 1.459,1187 1.861,1188 1.738,1189 1.09,1190 1.785,1191 1.396,1192 1.411,1193 1.446,1194 1.577,1195 0.68,1196 1.608,1197 1.022,1198 0.988,1199 1.24,1200 1.348,1201 0.407,1202 1.32,1203 0.886,1204 0.821,1205 1.201,1206 1.147,1207 0.403,1208 1.16,1209 0.829,1210 0.791,1211 1.181,1212 1.062,1213 0.218,1214 1.131,1215 0.758,1216 0.629,1217 0.838,1218 1.062,1220 1.107,1221 3.664,1222 4.963,1224 6.479,1226 8.093,1228 9.757,1229 3.845,1233 8.796,1234 2.423,1239 1.433,1243 22.809,1244 62.605,1245 122.118,1246 147.911,1247 151.911,1248 151.911,1249 151.911,1250 69.243,1251 5.707,1252 74.68,1253 83.06,1254 6,1255 11.964,1256 3.322,1257 2.807,1258 45.407,1259 53,1260 52,1261 0.434,1262 150.278,1263 264.31,1264 358.439,1265 1477,1267 14.466,1268 0.761,1269 0.631,1270 14.716,1271 11.982,1272 8.929,1273 0.47,1274 0.406,1275 6.308,1276 7.799,1277 5.989,1278 5.079,1279 9.718,1280 7.706,1281 7.951,1282 0.306,1283 0.237,1284 9.27,1285 6.172,1286 6.093,1287 0.19,1288 0.144,1289 7.434,1290 4.598,1291 4.448,1292 0.127,1293 0.097,1294 5.587,1295 3.394,1296 3.169,1297 0.083,1298 0.06,1299 4.098,1300 2.283,1301 0.656,1302 64.169,1303 0.297,1304 18.843,1305 1.257,1306 90,1307 325.862,1308 141.038,1309 327.847,1310 423.94,1311 296,1312 103,1313 266.7,1314 160.83,1315 304.9,1316 443.24,1317 284,1318 5.307}
{0 CHEMBL902,1 2.015,2 10.45,3 -0.355,4 0.126,5 83.561,6 9.643,7 0.25,8 3.671,9 3.796,10 3.682,11 3.207,12 4.871,13 3.125,14 4.128,15 4.269,16 3.869,17 3.517,18 5.753,19 3.393,20 4.279,21 4.487,22 3.689,23 3.505,24 5.512,25 3.365,26 4.264,27 4.49,28 3.865,29 3.546,30 5.623,31 3.35,32 4.197,33 4.411,34 3.536,35 3.404,36 5.389,37 3.228,38 4.113,39 4.341,40 3.461,41 3.299,42 5.26,43 3.116,44 3.918,45 4.158,46 3.311,47 3.138,48 5.044,49 2.951,50 3.848,51 4.067,52 3.267,53 2.981,54 5.087,55 2.865,56 0.193,57 0.614,58 8.618,59 3.137,60 39.213,61 3.227,62 0.495,63 0.832,64 20.781,65 6.465,66 80.772,67 6.553,68 0.556,69 0.829,70 19.661,71 5.418,72 90.728,73 5.883,74 0.467,75 0.837,76 29.408,77 7.63,78 91.409,79 8.155,80 0.498,81 0.722,82 26.495,83 6.543,84 82.303,85 6.417,86 0.429,87 0.639,88 20.005,89 5.607,90 67.753,91 6.171,92 0.31,93 0.56,94 20.545,95 5.068,96 47.329,97 5.595,98 0.36,99 0.495,100 15.847,101 3.536,102 56.328,103 4.017,104 50,105 27,106 0.375,107 0.757,108 0.88,109 0.89,110 0.89,111 0.89,112 3.054,113 1.328,114 -1.31,115 -1.4,116 -1.46,117 22.9,119 1,123 2,137 1,142 1,147 1,148 1,151 1,152 2,153 2,154 2,163 1,164 1,166 2,167 5,168 5,169 3,171 3,172 1,176 1,188 2,190 1,191 4,192 1,193 5,195 1,196 1,199 2,203 1,208 1,216 2,221 1,224 1,226 1,231 2,233 3,238 1,245 2,251 2,254 1,255 1,256 2,257 2,262 1,264 512,265 12.378,266 12.378,267 12.378,268 12.378,269 12.378,270 11.046,271 16.361,272 7.493,273 13.041,274 9.921,275 9.921,276 9.921,277 9.921,278 9.921,279 7.784,280 20.966,281 3.632,282 10.988,283 3.115,284 1.058,285 0.4,286 0.343,287 0.343,288 0.343,289 3.683,292 1,293 1,294 406,295 4.359,297 68.008,303 1.75,304 29.967,307 0.75,308 0.67,309 0.67,310 0.7,311 0.5,312 0.67,313 0.5,314 0.64,315 45.5,316 209,317 4.639,318 4.252,319 6.445,320 4.123,321 3.13,322 4.435,323 3.272,324 10.151,325 3.108,326 4.132,327 3.233,328 5.675,329 3.645,330 2.763,331 3.741,332 1.276,333 7.971,334 2.44,335 3.57,336 2.982,337 5.031,338 3.177,339 2.259,340 2.755,341 1.119,342 6.087,343 2.089,344 3.547,345 2.781,346 4.91,347 3.128,348 2.19,349 2.727,350 0.135,351 5.758,352 2.024,353 3.097,354 2.612,355 4.337,356 2.61,357 1.755,358 2.23,360 4.338,361 1.486,362 2.465,363 2.268,364 3.556,365 2.15,366 1.32,367 1.445,369 2.867,370 1.071,371 2.202,372 1.69,373 3.276,374 1.549,375 0.744,376 1.066,378 1.758,379 0.585,380 1.501,381 0.755,382 3.045,383 1.228,384 0.359,385 0.394,387 0.833,388 0.306,389 1,390 0.425,391 2.595,392 0.623,393 -0.285,394 -0.323,396 -0.775,397 -0.256,398 1,399 0.065,400 2.339,401 0.508,402 -0.416,403 -0.489,405 -1.148,406 -0.379,407 0.997,408 -0.016,409 2,410 0.162,411 -0.717,412 -0.879,414 -1.685,415 -0.617,416 0.548,417 -0.378,418 2,420 -1,421 -1.241,423 -2,424 -0.9,425 0.38,426 -0.616,427 1.888,429 -1,430 -1.343,432 -3,433 -1,434 0.273,435 -1,436 1.408,437 -0.1,438 -1,439 -1.556,441 -3,442 -1,443 -0.016,444 -1,445 1.271,446 -0.403,447 -1.289,448 -1.842,450 -3.294,451 -1.049,452 9.967,453 0.498,454 0.74,455 0.037,456 23,457 1.15,458 10.5,459 0.525,460 12.5,461 0.625,462 16.911,463 0.846,464 23.633,465 0.675,466 14.876,467 0.744,468 3.873,469 0.194,470 5.387,471 0.269,472 0.227,473 0.084,474 0.201,476 0.883,477 1.365,478 0.843,479 1.04,480 0.999,481 0.836,482 0.322,483 1.146,484 1.257,485 1.396,486 0.34,487 1.183,488 1.483,489 0.956,490 1.068,491 0.84,492 1.343,493 1.026,494 0.465,495 1.021,496 0.94,497 1.106,498 0.416,499 1.002,500 1.328,501 1.049,502 1.164,503 1.044,504 1.221,505 1.114,506 1.025,507 1.033,508 0.976,509 1.033,510 1.036,511 1.134,512 0.639,513 1.087,514 1.153,515 1.219,516 0.588,517 1.045,518 1.346,519 1.198,520 1.018,521 1.009,522 1.285,523 0.97,524 6.5,525 0.159,526 1.333,527 1.569,528 0.605,529 0.462,530 0.3,531 0.156,532 0.235,533 0.115,534 3837,535 18044,536 1.824,537 42.9,539 4,540 1,542 8,543 2,547 1.608,548 1.655,549 3.345,550 6.134,552 1,555 70.515,556 2.015,557 4.072,558 4.729,559 4.786,560 4.786,561 4.786,562 2.728,563 3.784,564 4.295,565 3.565,566 677.429,567 7.286,568 7620.9,573 179.525,574 1.72,575 4.196,576 0.325,577 0.014,578 0.049,579 0.078,580 0.028,581 0.027,582 0.021,583 0.011,584 0.018,585 0.009,586 0.582,587 0.17,588 0.75,589 2.482,590 92.626,591 -0.163,592 -0.043,593 0.123,594 0.076,595 -0.307,596 0.144,597 0.568,598 0.069,599 -0.163,600 -0.203,601 0.495,602 -0.161,603 -0.489,604 0.048,605 -0.194,606 0.057,607 -0.361,608 -0.111,609 0.285,610 -0.022,611 0.151,612 0.001,613 0.309,614 0.077,615 -0.349,616 -0.085,617 -0.176,618 -0.04,619 -0.249,620 -0.12,621 -0.139,622 -0.107,623 -0.034,624 -0.074,625 -0.173,626 -0.118,627 0.081,628 -0.106,629 -0.046,630 -0.119,631 0.059,632 0.025,633 -0.292,634 -0.276,635 -0.058,636 -0.066,637 -0.254,638 -0.015,639 4.772,640 3.663,641 0.25,642 17.96,643 1.032,644 1.152,645 0.083,646 0.007,647 0.684,648 3.045,649 3.332,650 3.258,651 3.466,652 3.296,653 3.296,654 3.296,655 3.091,656 3.178,657 3.135,658 6.473,659 0.636,660 337.51,661 3.045,662 4.554,663 5.293,664 6.146,665 6.903,666 7.757,667 8.523,668 9.375,669 10.147,670 10.997,671 20,672 1,673 1,675 1,676 1,680 2,681 1,687 1,688 1,691 1,692 2,694 5,701 1,707 35,709 9,711 20,712 35,713 8,714 3,718 1,719 1,721 1,728 1,730 5,731 3,734 4,736 1,737 2,738 2,741 2,744 1,747 15,748 9,749 8,750 12,751 3,753 7,755 1,758 1,759 2,771 1,785 1,791 1,792 1,793 3,797 20,798 2,799 1,802 3,803 2,805 1,810 1,815 5.7,818 2,822 12.083,823 5.533,824 4.375,825 1.496,827 1.177,828 1.204,829 0.954,830 6.841,831 6.961,832 3.314,833 3.855,834 3.91,835 4.432,836 4.299,837 4.416,838 4.563,839 4.212,840 4.425,841 4.605,842 0.857,843 20,844 7.521,846 3.264,847 8.388,848 13.269,850 10.196,853 2.888,854 57.75,858 82.398,859 88.534,860 178.734,862 44.313,864 69.066,865 19.467,866 126.711,867 178.734,869 37.231,870 60.914,871 81.437,872 66.601,873 13.67,874 134.124,876 82.398,877 198.201,878 44.313,879 69.066,880 82.398,881 44.313,884 120.238,885 43.168,886 40.365,887 63.497,888 82.398,889 223.047,890 88.534,892 5.569,893 82.398,894 75.316,895 7.649,896 34.416,897 188.631,898 82.398,899 223.047,900 88.534,901 0.577,902 0.257,903 0.138,904 0.059,905 10,906 6,907 0.257,908 9,910 1,911 3.249,912 124.048,914 5,915 84.439,916 2,917 1,918 17.325,919 7.898,920 8.24,922 223.047,923 1.839,924 4.207,927 1.343,928 1.381,930 161.948,931 393.978,932 26.5,934 -3.856,935 14.43,936 21.325,939 -0.307,941 36.131,942 40.328,943 0.393,944 0.794,945 0.922,946 0.933,947 0.933,948 0.933,949 4.535,950 0.359,951 5.333,952 1.758,953 4.007,954 4.538,955 3.295,956 6.071,957 3.829,958 5.774,959 -0.285,960 6.855,961 0.833,962 3.892,963 4.82,964 1.204,965 7.182,966 3.762,967 7.122,968 -0.416,969 8.483,970 -0.775,971 5.617,972 6.788,973 5.461,974 9.971,975 5.344,976 8.504,977 -0.717,978 10.17,979 -1.148,980 6.196,981 7.808,982 1.713,983 11.823,984 5.994,985 9.916,986 -1,987 11.896,988 -1.685,989 7.522,990 9.408,991 7.809,992 14.256,993 7.225,994 11.348,995 -1,996 13.648,997 -2,998 8.398,999 10.706,1000 2.124,1001 16.389,1002 8.158,1003 12.798,1004 -1,1005 15.42,1006 -3,1007 9.586,1008 12.206,1009 10.178,1010 18.725,1011 9.297,1012 3.13,1013 -1.289,1014 17.207,1015 -3,1016 10.595,1017 13.61,1018 2.527,1019 20.966,1020 10.344,1021 2.763,1022 10.151,1023 19.007,1024 -3.294,1025 11.735,1026 15.086,1027 12.548,1028 23.278,1029 11.464,1030 2.259,1031 7.971,1032 20.816,1033 4.435,1034 12.805,1035 16.533,1036 2.939,1037 25.561,1038 12.558,1039 2.19,1040 6.087,1041 22.634,1042 3.741,1043 13.931,1044 18.006,1045 14.919,1046 27.87,1047 13.678,1048 1.755,1049 5.758,1050 24.459,1051 2.755,1052 15.031,1053 19.47,1054 3.366,1055 30.171,1056 14.793,1057 1.32,1058 4.338,1059 26.29,1060 2.727,1061 16.154,1062 20.946,1063 17.29,1064 32.481,1065 15.917,1066 0.744,1067 2.867,1068 28.125,1069 2.23,1070 17.269,1071 22.42,1072 3.806,1073 34.79,1074 17.041,1075 4117,1076 9054,1077 12.019,1078 23.938,1079 29.105,1080 32.617,1081 29.35,1082 28.82,1083 29.044,1084 37.588,1085 11.604,1086 79.526,1087 26.218,1088 5.57,1089 6.041,1090 6.131,1091 5.262,1092 5.114,1093 7.051,1094 6.545,1095 16.164,1096 4.904,1097 13.949,1098 1.455,1099 1.631,1100 1.468,1101 1.441,1102 1.452,1103 1.879,1104 0.58,1105 3.976,1106 1.311,1107 3.949,1108 3.935,1109 4.708,1110 3.872,1111 7.729,1112 3.78,1113 3.857,1114 3.877,1115 4.231,1116 3.83,1117 6.999,1118 3.713,1119 3.562,1120 3.607,1121 3.828,1122 3.49,1123 5.886,1124 3.406,1125 3.446,1126 3.532,1127 3.381,1128 3.167,1129 5.819,1130 3.199,1131 3.101,1132 3.161,1133 3.305,1134 3.017,1135 4.837,1136 2.934,1137 2.821,1138 2.929,1139 2.749,1140 2.593,1141 4.816,1142 2.571,1143 2.552,1144 2.703,1145 2.435,1146 2.23,1147 4.772,1148 2.231,1149 2.471,1150 2.626,1151 2.309,1152 1.969,1153 3.937,1154 1.958,1155 0.232,1156 0.213,1157 0.322,1158 0.206,1159 0.157,1160 4.639,1161 0.222,1162 4.252,1163 0.164,1164 6.445,1165 0.508,1166 4.123,1167 0.155,1168 3.13,1169 4.435,1170 3.272,1171 10.151,1172 3.108,1173 1.712,1174 1.714,1175 1.803,1176 1.908,1177 1.14,1178 1.943,1179 1.56,1180 1.554,1181 1.619,1182 1.771,1183 0.871,1184 1.755,1185 1.453,1186 1.401,1187 1.543,1188 1.683,1189 0.571,1190 1.716,1191 1.407,1192 1.373,1193 1.326,1194 1.581,1195 0.492,1196 1.603,1197 1.07,1198 1.028,1199 1.135,1200 1.24,1201 0.217,1202 1.278,1203 0.912,1204 0.84,1205 1.072,1206 1.205,1207 0.113,1208 1.222,1209 0.624,1210 0.516,1211 0.979,1212 0.91,1214 0.973,1215 0.358,1216 0.176,1217 0.798,1218 0.863,1220 0.869,1221 3.714,1222 5.004,1223 2.398,1224 6.415,1225 4.595,1226 7.886,1227 6.555,1228 9.394,1232 9.927,1234 1.455,1235 4.496,1237 1.508,1243 22.248,1244 70.515,1245 142.505,1246 165.525,1247 167.525,1248 167.525,1249 167.525,1250 58.716,1251 5.784,1252 170.83,1253 232.75,1254 5,1255 11.573,1256 3.322,1257 2.907,1258 50.198,1259 79,1260 60,1261 0.313,1262 157.352,1263 263.25,1264 375.698,1265 2022,1267 15.173,1268 0.759,1269 0.64,1270 16.13,1271 12.791,1272 9.26,1273 0.463,1274 0.443,1275 5.476,1276 7.132,1277 5.042,1278 4.2,1279 11.141,1280 8.853,1281 9.329,1282 0.346,1283 0.254,1284 11.787,1285 6.868,1286 4.975,1287 0.199,1288 0.165,1289 6.647,1290 4.135,1291 4.395,1292 0.142,1293 0.105,1294 6.368,1295 3.243,1296 2.397,1297 0.092,1298 0.077,1299 3.686,1300 2.011,1301 0.513,1302 77.681,1303 0.288,1304 20.755,1305 0.796,1306 94,1307 359.653,1308 181.666,1309 412.92,1310 526.16,1311 372,1312 99,1313 313.618,1314 183.566,1315 375.851,1316 526.83,1317 344,1318 3.907}