@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2798

@attribute molecule_id {CHEMBL169174,CHEMBL169178,CHEMBL170026,CHEMBL170197,CHEMBL170207,CHEMBL171051,CHEMBL171310,CHEMBL172135,CHEMBL172177,CHEMBL172354,CHEMBL172635,CHEMBL1732,CHEMBL1773877,CHEMBL1774043,CHEMBL18329,CHEMBL18727,CHEMBL262125,CHEMBL265987,CHEMBL278032,CHEMBL278217,CHEMBL279778,CHEMBL280980,CHEMBL281017,CHEMBL281082,CHEMBL281318,CHEMBL282175,CHEMBL282645,CHEMBL282646,CHEMBL284183,CHEMBL284975,CHEMBL284976,CHEMBL285586,CHEMBL285719,CHEMBL285746,CHEMBL285995,CHEMBL286475,CHEMBL286835,CHEMBL286907,CHEMBL286908,CHEMBL287295,CHEMBL290122,CHEMBL29331,CHEMBL29888,CHEMBL30195,CHEMBL30430,CHEMBL30656,CHEMBL30701,CHEMBL30821,CHEMBL30917,CHEMBL31090,CHEMBL31671,CHEMBL31726,CHEMBL33398,CHEMBL33412,CHEMBL33698,CHEMBL33743,CHEMBL33819,CHEMBL353148,CHEMBL354363,CHEMBL355608,CHEMBL355778,CHEMBL406844,CHEMBL424370,CHEMBL432671,CHEMBL435339,CHEMBL436451,CHEMBL441840,CHEMBL442,CHEMBL450105,CHEMBL504114,CHEMBL504406,CHEMBL504861,CHEMBL505727,CHEMBL508004,CHEMBL509464,CHEMBL61498,CHEMBL70728,CHEMBL9387}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.017 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.031 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_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_02_PP 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_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL 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_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_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_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_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.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.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 HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.80 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArC.N numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nC..N.N2 numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nImidazoles numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR11 numeric
@attribute nR12 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute nRNHR numeric
@attribute nRNR2 numeric
@attribute nROCON 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 NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nThiazoles 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 ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_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_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_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 S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute 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 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 1.512,2 15.326,3 5.214,4 27.187,5 174.641,6 7.17,7 0.44,8 4.543,9 4.667,10 4.066,11 4.071,12 5.627,13 4.046,14 5.099,15 5.271,16 4.421,17 4.475,18 6.173,19 4.418,20 5.411,21 5.625,22 4.477,23 4.63,24 6.425,25 4.539,26 5.529,27 5.773,28 4.49,29 4.607,30 6.552,31 4.527,32 5.483,33 5.697,34 4.604,35 4.59,36 6.764,37 4.541,38 5.552,39 5.775,40 4.643,41 4.662,42 6.702,43 4.613,44 5.603,45 5.807,46 4.667,47 4.728,48 6.786,49 4.677,50 5.672,51 5.902,52 4.692,53 4.783,54 6.853,55 4.704,56 0.041,57 1.253,58 18.477,59 7.988,60 13.512,61 10.683,62 0.526,63 2.029,64 34.893,65 13.43,66 56.57,67 18.687,68 0.631,69 2.57,70 50.372,71 18.118,72 90.411,73 25.328,74 0.727,75 2.68,76 59.881,77 18.899,78 125.343,79 26.778,80 1.245,81 2.622,82 56.534,83 17.191,84 210.495,85 24.216,86 0.962,87 2.809,88 60.654,89 18.666,90 145.955,91 26.011,92 0.985,93 2.914,94 63.42,95 19.797,96 171.792,97 26.692,98 1.199,99 3.086,100 68.621,101 22.478,102 210.492,103 31.456,104 39,105 68,106 0.225,107 0.537,108 0.735,109 0.829,110 0.866,111 0.876,112 3.853,113 0.942,114 -3.23,115 -3.22,116 -3.09,117 41.4,118 2,119 3,120 1,122 3,124 3,132 14,133 4,138 1,139 1,141 3,142 1,150 22,152 2,153 1,156 4,158 6,161 23,165 1,166 6,169 4,170 1,171 7,174 13,178 11,183 8,185 4,188 5,189 15,191 3,192 1,193 7,195 2,199 15,202 4,203 2,204 9,206 4,210 16,213 2,215 9,217 9,220 5,221 17,223 1,225 8,227 14,231 13,234 3,235 1,236 8,239 19,243 5374,244 30.946,245 30.946,246 30.946,247 30.946,248 30.946,249 27.742,250 26.482,251 18.657,252 31.295,253 24.754,254 24.754,255 24.754,256 24.754,257 24.754,258 19.889,259 27.07,260 8.989,261 25.262,262 4.931,263 2.831,264 1.498,265 0.868,266 0.615,267 0.546,268 4.553,272 1,273 1521,274 5.385,275 127.656,276 714.617,278 236.741,282 2.123,283 58.52,285 0.75,286 0.5,287 0.67,288 0.9,289 0.5,290 0.67,291 0.5,292 0.64,293 99.5,294 705,295 4.53,296 3.898,297 6.543,298 4.08,299 3.095,300 4.474,301 2.206,302 10.339,303 3.049,304 4.184,305 3.762,306 6.438,307 4.007,308 3.034,309 3.462,310 2.02,311 9.907,312 2.944,313 3.988,314 3.6,315 6.051,316 3.773,317 2.796,318 3.448,319 1.955,320 8.728,321 2.726,322 3.923,323 3.552,324 5.686,325 3.64,326 2.654,327 3.341,328 1.918,329 7.94,330 2.616,331 3.891,332 3.13,333 5.368,334 3.52,335 2.534,336 3.138,337 0.815,338 7.024,339 2.496,340 3.7,341 2.832,342 5.351,343 3.427,344 2.435,345 2.864,346 0.632,347 6.943,348 2.412,349 3.542,350 2.76,351 5.114,352 3.152,353 2.182,354 2.753,355 0.31,356 5.986,357 2.121,358 3.381,359 2.47,360 5.033,361 3.131,362 2.138,363 2.682,364 0.159,365 5.958,366 2.078,367 3.225,368 2.319,369 4.936,370 2.969,371 1.977,372 2.318,373 0.092,374 5.652,375 1.959,376 3.144,377 2.275,378 4.711,379 2.913,380 1.902,381 2.262,383 5.186,384 1.911,385 3.046,386 2.001,387 4.477,388 2.632,389 1.678,390 2.217,392 4.515,393 1.594,394 2.916,395 1.87,396 4.218,397 2.518,398 1.546,399 2.08,401 3.776,402 1.501,403 2.831,404 1.776,405 3.983,406 2.481,407 1.488,408 1.907,410 3.234,411 1.475,412 2.721,413 1.741,414 3.623,415 2.392,416 1.396,417 1.764,419 3.061,420 1.389,421 2.633,422 1.546,423 3.589,424 2.233,425 1.234,426 1.658,428 3.011,429 1.226,430 21.667,431 0.471,432 1.099,433 0.024,434 55.25,435 1.201,436 26,437 0.565,438 29.25,439 0.636,440 50.152,441 1.09,442 50.333,443 0.579,444 53.08,445 1.154,446 11.073,447 0.241,448 11.173,449 0.243,450 0.108,452 0.318,454 0.73,455 1.311,456 0.827,457 1.108,458 0.552,459 0.994,460 0.617,461 1.182,462 0.926,463 1.087,464 0.524,465 1.057,466 0.9,467 1.103,468 1.061,469 1.13,470 0.945,471 1.121,472 1.33,473 1.026,474 0.993,475 0.935,476 1.325,477 0.91,478 1.221,479 1.082,480 1.001,481 0.971,482 1.188,483 0.948,484 1.409,485 0.965,486 0.995,487 0.899,488 1.489,489 0.878,490 1.719,491 1.051,492 1.18,493 0.996,494 1.857,495 0.999,496 1.143,497 0.98,498 0.968,499 0.952,500 1.139,501 0.934,502 9.5,503 0.55,504 4,505 3.104,506 2.253,507 1.677,508 1.292,509 1.082,510 0.807,511 0.552,512 37835,513 94301,514 2.067,515 47.1,516 7,517 23,518 1,520 4,522 6,524 1.841,525 1.944,526 3.837,527 1.32,530 131.54,531 1.512,532 3.612,533 4.945,534 5.575,535 5.828,536 5.897,537 3.309,538 5.132,539 5.493,540 4.04,541 4181.7,542 9.794,543 81051.2,546 560.536,547 1.371,548 5.458,549 0.19,550 0.007,551 0.059,552 0.046,553 0.033,554 0.022,555 0.016,556 0.013,557 0.01,558 0.007,559 0.403,560 0.17,561 0.63,562 0.744,563 269.754,564 -0.046,565 -0.084,566 0.039,567 -0.01,568 -0.033,569 0.024,570 0.2,571 -0.039,572 -0.006,573 -0.048,574 0.081,575 -0.062,576 0.027,577 -0.049,578 -0.097,579 -0.132,580 -0.064,581 -0.137,582 -0.128,583 -0.051,584 0.035,585 0.015,586 -0.112,587 0.047,588 0.178,589 -0.053,590 0.039,591 -0.033,592 0.213,593 -0.021,594 -0.058,595 0.057,596 0.043,597 0.038,598 -0.055,599 0.054,600 -0.214,601 -0.033,602 -0.137,603 -0.044,604 -0.181,605 -0.071,606 0.083,607 -0.002,608 0.054,609 0.015,610 0.125,611 0.03,612 2.41,613 6.923,614 0.587,615 61.609,616 1.001,617 1.127,618 2.002,619 4.008,620 0.655,621 3.932,622 4.234,623 4.454,624 4.71,625 4.905,626 4.927,627 5.043,628 5.182,629 5.209,630 5.298,631 9.065,632 0.623,633 623.82,634 3.932,635 5.468,636 6.297,637 7.162,638 8.009,639 8.878,640 9.733,641 10.606,642 11.467,643 12.341,644 5.7,649 4,650 1,653 2,654 15,656 1,658 3,660 22,669 87,670 26,671 3,672 50,673 91,674 36,675 20,676 4,677 14,679 5,680 6,684 2,685 1,687 6,688 24,689 12,690 1,691 4,692 4,695 4,699 41,700 9,701 4,702 10,705 5,706 0.8,707 5,710 1,712 1,713 4,715 1,719 2,720 1,728 1,731 4,734 2,737 46,740 6,741 3,742 1,744 4,745 1,749 5.7,752 4,754 1,755 23.667,756 15.617,757 10.139,758 5.222,759 2.594,760 1.316,761 0.964,762 11.508,763 10.804,764 4.19,765 4.712,766 5.18,767 5.68,768 6.117,769 6.174,770 6.485,771 6.806,772 6.744,773 6.949,774 1,775 68,776 17.283,777 7.504,778 7.822,779 32.639,780 26.94,781 2.322,782 106.833,785 435.531,786 210.923,787 73.942,789 111.58,792 210.923,793 547.11,794 73.942,795 17.65,796 73.564,797 141.715,798 114.694,799 39.915,800 20.678,801 423.76,803 435.531,804 284.865,805 111.58,807 364.904,808 182.206,810 108,811 176.865,814 435.531,815 185.522,816 210.923,817 435.531,818 51.558,819 162.49,820 70.818,821 111.58,822 435.531,823 185.522,824 210.923,825 0.575,826 0.321,827 0.177,828 0.1,829 29,830 14,831 0.143,832 13,833 1,834 1.074,835 5.343,836 477.961,837 0.074,838 27,839 242.084,841 33.24,842 15.926,843 9.448,844 1.836,845 168.736,846 28.581,848 3.212,850 2.704,852 70.818,853 831.975,854 65,855 53.462,858 -1.821,859 87.05,860 98.012,861 0.235,862 0.561,863 0.768,864 0.865,865 0.905,866 0.915,867 5.423,868 2.138,869 6.267,870 5.986,871 4.92,872 5.4,873 3.438,874 7.033,875 4.88,876 6.595,877 1.977,878 7.795,879 5.958,880 4.443,881 5.075,882 2.895,883 7.816,884 4.402,885 7.871,886 1.902,887 9.42,888 5.652,889 6.469,890 7.47,891 4.559,892 10.909,893 6.385,894 9.176,895 1.678,896 11.103,897 5.186,898 6.792,899 7.982,900 4.636,901 12.532,902 6.704,903 10.513,904 1.546,905 12.824,906 4.515,907 8.285,908 9.871,909 5.861,910 15.132,911 8.16,912 11.873,913 1.488,914 14.573,915 3.776,916 8.995,917 10.828,918 6.217,919 17.126,920 8.859,921 13.251,922 1.396,923 16.343,924 3.234,925 10.26,926 12.497,927 7.238,928 19.544,929 10.093,930 3.095,931 1.234,932 18.128,933 3.061,934 11.166,935 13.705,936 7.748,937 21.709,938 10.984,939 3.034,940 10.339,941 19.927,942 3.011,943 12.331,944 15.272,945 8.66,946 24.058,947 12.123,948 2.796,949 9.907,950 21.736,951 4.474,952 13.337,953 16.62,954 9.261,955 26.302,956 13.11,957 2.654,958 8.728,959 23.553,960 3.462,961 14.461,962 18.142,963 10.113,964 28.627,965 14.211,966 2.534,967 7.94,968 25.379,969 3.448,970 15.516,971 19.563,972 10.771,973 30.908,974 15.246,975 2.435,976 7.024,977 27.21,978 3.341,979 16.625,980 21.067,981 11.588,982 33.225,983 16.334,984 2.182,985 6.943,986 29.046,987 3.138,988 17.706,989 22.526,990 12.285,991 35.524,992 17.395,993 35678,994 56544,995 33.402,996 57.006,997 75.282,998 77.555,999 75.616,1000 73.784,1001 73.841,1002 93.88,1003 20.214,1004 204.877,1005 72.461,1006 5.53,1007 5.898,1008 6.345,1009 5.16,1010 5.095,1011 7.474,1012 3.954,1013 17.308,1014 5.049,1015 22.693,1016 1.506,1017 1.551,1018 1.512,1019 1.476,1020 1.477,1021 1.878,1022 0.404,1023 4.098,1024 1.449,1025 4.134,1026 4.169,1027 4.088,1028 4.05,1029 7.44,1030 4.055,1031 3.973,1032 4.016,1033 3.897,1034 3.883,1035 7.431,1036 3.878,1037 3.906,1038 3.935,1039 3.832,1040 3.84,1041 7.426,1042 3.834,1043 3.85,1044 3.892,1045 3.774,1046 3.7,1047 7.421,1048 3.71,1049 3.738,1050 3.792,1051 3.658,1052 3.558,1053 4.971,1054 3.569,1055 3.669,1056 3.72,1057 3.552,1058 3.504,1059 4.779,1060 3.509,1061 3.442,1062 3.494,1063 3.349,1064 3.266,1065 4.748,1066 3.273,1067 3.417,1068 3.459,1069 3.311,1070 3.196,1071 4.388,1072 3.22,1073 0.091,1074 0.078,1075 0.131,1076 0.082,1077 0.062,1078 4.53,1079 0.089,1080 3.898,1081 0.044,1082 6.543,1083 0.207,1084 4.08,1085 0.061,1086 3.095,1087 4.474,1088 2.206,1089 10.339,1090 3.049,1091 1.942,1092 1.919,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.041,1100 2.024,1101 1.294,1102 2.03,1103 1.904,1104 1.876,1105 2.032,1106 1.995,1107 1.237,1108 2.007,1109 1.81,1110 1.761,1111 2.012,1112 1.976,1113 1.133,1114 1.986,1115 1.699,1116 1.648,1117 1.885,1118 1.9,1119 1.051,1120 1.897,1121 1.681,1122 1.626,1123 1.85,1124 1.866,1125 1.04,1126 1.873,1127 1.435,1128 1.381,1129 1.632,1130 1.676,1131 0.829,1132 1.663,1133 1.341,1134 1.295,1135 1.536,1136 1.62,1137 0.731,1138 1.591,1139 4.615,1140 5.922,1141 2.398,1142 7.404,1143 4.727,1144 8.968,1145 6.823,1146 10.575,1147 3.937,1152 1.404,1153 8.643,1154 5.443,1156 -2.091,1157 1.524,1159 54.163,1160 131.54,1161 314.258,1162 430.214,1163 485.026,1164 507.026,1165 513.026,1166 131.968,1167 8.21,1168 132.63,1169 132.63,1170 29,1171 12.884,1172 4.755,1173 4,1174 78.685,1175 243,1176 274,1177 0.147,1178 332.097,1179 587.95,1180 802.076,1181 46378,1183 32.468,1184 0.706,1185 0.57,1186 32.468,1187 26.201,1188 22.245,1189 0.445,1190 0.314,1191 15.505,1192 21.504,1193 15.113,1194 12.576,1195 22.245,1196 15.695,1197 20.104,1198 0.296,1199 0.179,1200 20.104,1201 12.186,1202 15.794,1203 0.186,1204 0.094,1205 15.794,1206 8.019,1207 13.235,1208 0.12,1209 0.053,1210 13.235,1211 5.827,1212 10.707,1213 0.08,1214 0.029,1215 10.707,1216 3.881,1217 0.232,1218 138.943,1219 0.173,1220 40.106,1221 0.403,1222 236,1223 681.654,1224 259.029,1225 654.475,1226 875.39,1227 610,1228 271,1229 621.704,1230 293.398,1231 629.255,1232 913.07,1233 591,1234 7.194}
{0 CHEMBL169178,1 1.535,2 13.878,3 3.979,4 15.836,5 154.776,6 7.022,7 0.364,8 4.455,9 4.585,10 3.954,11 3.949,12 5.528,13 3.925,14 5.023,15 5.207,16 4.312,17 4.352,18 6.089,19 4.295,20 5.331,21 5.553,22 4.373,23 4.515,24 6.343,25 4.427,26 5.435,27 5.676,28 4.412,29 4.519,30 6.476,31 4.443,32 5.424,33 5.638,34 4.517,35 4.522,36 6.712,37 4.468,38 5.496,39 5.727,40 4.557,41 4.6,42 6.612,43 4.54,44 5.553,45 5.763,46 4.579,47 4.653,48 6.724,49 4.595,50 5.619,51 5.86,52 4.571,53 4.678,54 6.793,55 4.593,56 0.05,57 1.161,58 17.62,59 7.236,60 12.871,61 9.983,62 0.548,63 1.851,64 33.503,65 12.072,66 57.206,67 17.394,68 0.718,69 2.297,70 47.667,71 15.981,72 91.339,73 23.007,74 0.698,75 2.395,76 54.381,77 16.412,78 118.182,79 24.196,80 1.295,81 2.41,82 53.902,83 15.483,84 213.629,85 22.738,86 0.923,87 2.577,88 57.696,89 17.51,90 133.827,91 25.395,92 0.972,93 2.675,94 61.047,95 18.42,96 163.301,97 25.968,98 1.299,99 2.774,100 66.282,101 20.216,102 214.626,103 29.386,104 60,105 60,106 0.234,107 0.555,108 0.772,109 0.864,110 0.882,111 0.882,112 3.742,113 0.964,114 -2.53,115 -2.55,116 -2.49,117 38.8,118 3,119 3,120 1,122 3,124 3,132 9,133 3,138 1,139 1,141 3,142 1,150 16,152 2,153 1,156 4,158 6,161 17,165 1,166 4,169 4,170 1,171 7,174 10,178 9,183 8,185 4,188 5,189 12,191 3,192 1,193 5,195 2,199 13,202 4,203 2,204 7,206 4,210 15,213 2,215 8,217 7,220 5,221 15,223 1,225 6,227 10,231 11,234 3,235 1,236 6,239 14,243 3758,244 27.386,245 27.386,246 27.386,247 27.386,248 27.386,249 24.933,250 24.329,251 16.5,252 27.832,253 21.736,254 21.736,255 21.736,256 21.736,257 21.736,258 17.915,259 23.42,260 7.844,261 22.31,262 4.787,263 2.676,264 1.252,265 0.648,266 0.528,267 0.528,268 4.431,272 1,273 1209,274 5.339,275 112.423,276 455.503,278 208.464,282 2.088,283 55.274,285 0.75,286 0.5,287 0.67,288 0.9,289 1,290 0.67,291 0.5,292 0.71,293 89.5,294 569,295 4.53,296 3.898,297 6.543,298 4.08,299 3.095,300 4.474,301 2.189,302 10.339,303 3.049,304 4.184,305 3.761,306 6.438,307 4.007,308 3.034,309 3.462,310 2.02,311 9.907,312 2.944,313 3.984,314 3.596,315 6.051,316 3.772,317 2.795,318 3.341,319 1.955,320 8.727,321 2.726,322 3.913,323 3.55,324 5.686,325 3.638,326 2.651,327 3.14,328 1.918,329 7.94,330 2.615,331 3.703,332 3.13,333 5.36,334 3.43,335 2.439,336 2.865,337 0.633,338 6.954,339 2.412,340 3.559,341 2.832,342 5.114,343 3.189,344 2.232,345 2.758,346 0.41,347 6.007,348 2.122,349 3.381,350 2.47,351 5.044,352 3.132,353 2.139,354 2.684,355 0.223,356 5.984,357 2.101,358 3.225,359 2.32,360 4.955,361 2.969,362 1.977,363 2.318,364 0.142,365 5.672,366 1.959,367 3.144,368 2.276,369 4.711,370 2.913,371 1.902,372 2.262,373 0.026,374 5.186,375 1.911,376 3.046,377 2.001,378 4.477,379 2.633,380 1.679,381 2.217,383 4.516,384 1.594,385 2.831,386 1.882,387 4.218,388 2.518,389 1.546,390 1.907,392 3.776,393 1.501,394 2.724,395 1.803,396 3.983,397 2.393,398 1.397,399 1.766,401 3.172,402 1.39,403 2.633,404 1.772,405 3.589,406 2.243,407 1.253,408 1.659,410 3.015,411 1.233,412 2.5,413 1.546,414 3.58,415 2.084,416 1.128,417 1.5,419 2.679,420 1.069,421 2.42,422 1.498,423 3.433,424 2,425 1,426 1.344,428 2.136,429 1,430 19.167,431 0.467,432 1.03,433 0.025,434 46.25,435 1.128,436 20,437 0.488,438 26.25,439 0.64,440 46.082,441 1.124,442 46.233,443 0.578,444 43.6,445 1.063,446 9.137,447 0.223,448 10.591,449 0.258,450 0.148,452 0.334,454 0.738,455 1.413,456 0.85,457 1.187,458 0.555,459 1.05,460 0.61,461 1.209,462 0.903,463 1.095,464 0.508,465 1.052,466 0.952,467 1.054,468 1.046,469 1.065,470 0.955,471 1.069,472 1.24,473 1.065,474 0.985,475 0.958,476 1.318,477 0.926,478 1.183,479 1.07,480 1.051,481 0.978,482 1.234,483 0.983,484 1.203,485 0.972,486 0.958,487 0.93,488 1.288,489 0.901,490 1.565,491 1.085,492 1.162,493 1.044,494 1.681,495 1.035,496 1.135,497 0.942,498 0.979,499 0.928,500 1.134,501 0.925,502 9,503 0.473,504 3.778,505 3.167,506 2.022,507 1.587,508 1.25,509 0.979,510 0.778,511 0.506,512 26291,513 67238,514 2.021,515 48.8,516 7,517 18,518 1,520 4,522 9,524 1.813,525 1.878,526 3.71,527 1.411,530 122.824,531 1.535,532 3.646,533 5.07,534 5.673,535 5.794,536 5.794,537 3.196,538 4.949,539 5.329,540 3.911,541 3206.86,542 9.457,543 56544.5,546 505.754,547 1.455,548 5.28,549 0.205,550 0.008,551 0.063,552 0.052,553 0.032,554 0.023,555 0.017,556 0.013,557 0.011,558 0.008,559 0.432,560 0.17,561 0.75,562 1.253,563 231.882,564 -0.05,565 -0.125,566 0.036,567 -0.032,568 -0.033,569 0.011,570 0.206,571 -0.042,572 0.032,573 -0.031,574 0.095,575 -0.034,576 0.001,577 0.01,578 -0.073,579 -0.059,580 -0.069,581 -0.08,582 -0.128,583 -0.069,584 0.024,585 0.003,586 -0.112,587 0.037,588 0.139,589 -0.024,590 -0.019,591 -0.03,592 0.163,593 -0.048,594 -0.026,595 0.049,596 0.058,597 0.028,598 -0.036,599 0.054,600 -0.189,601 -0.068,602 -0.13,603 -0.074,604 -0.154,605 -0.088,606 0.06,607 0.023,608 0.041,609 0.032,610 0.1,611 0.036,612 2.379,613 6.766,614 0.512,615 48.431,616 1.002,617 1.132,618 1.296,619 1.678,620 0.641,621 3.807,622 4.111,623 4.331,624 4.595,625 4.779,626 4.836,627 4.949,628 5.075,629 5.081,630 5.147,631 8.278,632 0.608,633 561.75,634 3.807,635 5.342,636 6.172,637 7.041,638 7.892,639 8.767,640 9.627,641 10.506,642 11.371,643 12.252,644 6.3,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 80,670 20,671 2,672 44,673 83,674 31,675 14,676 3,677 9,679 4,680 5,684 3,685 1,687 6,688 18,689 13,690 1,691 4,692 4,695 4,699 39,700 9,701 4,702 10,705 5,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,728 1,731 3,734 3,737 41,740 6,741 3,742 1,744 4,745 1,749 6.3,752 4,754 1,755 21.833,756 14.7,757 9.139,758 4.986,759 2.503,760 1.315,761 0.945,762 10.834,763 10.446,764 4.043,765 4.551,766 5.01,767 5.514,768 5.934,769 6.067,770 6.395,771 6.721,772 6.619,773 6.84,774 1,775 61,776 15.414,777 6.652,778 7.87,779 29.036,780 23.789,781 2.37,782 97.167,785 411.989,786 169.181,787 73.942,789 111.58,792 169.181,793 523.568,794 73.942,795 26.476,796 73.564,797 94.334,798 114.694,799 36.73,800 20.678,801 400.217,803 411.989,804 243.123,805 111.58,807 306.049,808 217.52,810 116.825,811 126.298,814 411.989,815 185.522,816 169.181,817 411.989,818 48.372,819 123.934,820 70.818,821 111.58,822 411.989,823 185.522,824 169.181,825 0.572,826 0.32,827 0.179,828 0.098,829 25,830 13,831 0.145,832 12,833 1,834 1.095,835 4.869,836 405.803,837 0.095,838 21,839 213.66,841 30.604,842 14.514,843 8.571,844 1.855,845 168.736,846 19.291,848 3.19,850 1.907,852 70.818,853 766.692,854 56,855 52.36,858 -1.761,859 80.167,860 90.597,861 0.243,862 0.577,863 0.802,864 0.897,865 0.916,866 0.916,867 5.283,868 1.977,869 6.151,870 5.984,871 4.796,872 5.239,873 3.4,874 6.93,875 4.75,876 6.455,877 1.902,878 7.689,879 5.672,880 4.369,881 4.987,882 2.895,883 7.748,884 4.325,885 7.737,886 1.679,887 9.326,888 5.186,889 6.358,890 7.305,891 4.533,892 10.844,893 6.266,894 9.047,895 1.546,896 11.019,897 4.516,898 6.723,899 7.895,900 4.636,901 12.487,902 6.63,903 10.39,904 1.397,905 12.75,906 3.776,907 8.192,908 9.729,909 5.831,910 15.093,911 8.06,912 11.756,913 1.253,914 14.507,915 3.172,916 8.934,917 10.754,918 6.207,919 17.1,920 8.794,921 13.141,922 1.128,923 16.285,924 3.015,925 10.187,926 12.39,927 7.201,928 19.523,929 10.015,930 3.095,931 1,932 18.077,933 2.679,934 11.116,935 13.649,936 7.725,937 21.695,938 10.929,939 3.034,940 10.339,941 19.882,942 2.136,943 12.277,944 15.2,945 8.613,946 24.048,947 12.064,948 2.795,949 9.907,950 21.697,951 4.474,952 13.297,953 16.58,954 9.225,955 26.295,956 13.066,957 2.651,958 8.727,959 23.52,960 3.462,961 14.42,962 18.096,963 10.054,964 28.621,965 14.167,966 2.439,967 7.94,968 25.35,969 3.341,970 15.485,971 19.537,972 10.72,973 30.904,974 15.213,975 2.232,976 6.954,977 27.186,978 3.14,979 16.596,980 21.039,981 11.517,982 33.222,983 16.303,984 2.139,985 6.007,986 29.026,987 2.865,988 17.683,989 22.509,990 12.217,991 35.522,992 17.37,993 25337,994 40700,995 28.838,996 51.245,997 66.138,998 68.539,999 67.3,1000 64.802,1001 64.823,1002 80.696,1003 19.034,1004 181.189,1005 63.426,1006 5.53,1007 5.898,1008 6.345,1009 5.148,1010 5.095,1011 7.474,1012 3.892,1013 17.308,1014 5.049,1015 23.011,1016 1.503,1017 1.558,1018 1.53,1019 1.473,1020 1.473,1021 1.834,1022 0.433,1023 4.118,1024 1.442,1025 4.133,1026 4.168,1027 4.087,1028 4.049,1029 7.44,1030 4.054,1031 3.968,1032 4.011,1033 3.891,1034 3.877,1035 7.431,1036 3.872,1037 3.853,1038 3.894,1039 3.777,1040 3.702,1041 7.426,1042 3.712,1043 3.744,1044 3.795,1045 3.666,1046 3.558,1047 7.421,1048 3.57,1049 3.679,1050 3.73,1051 3.561,1052 3.507,1053 4.97,1054 3.514,1055 3.531,1056 3.582,1057 3.404,1058 3.305,1059 4.753,1060 3.315,1061 3.429,1062 3.488,1063 3.312,1064 3.26,1065 4.487,1066 3.267,1067 3.353,1068 3.416,1069 3.239,1070 3.168,1071 4.314,1072 3.173,1073 0.103,1074 0.089,1075 0.149,1076 0.093,1077 0.07,1078 4.53,1079 0.102,1080 3.898,1081 0.05,1082 6.543,1083 0.235,1084 4.08,1085 0.069,1086 3.095,1087 4.474,1088 2.189,1089 10.339,1090 3.049,1091 1.942,1092 1.919,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.04,1100 2.023,1101 1.294,1102 2.029,1103 1.81,1104 1.761,1105 2.012,1106 1.978,1107 1.237,1108 1.987,1109 1.7,1110 1.649,1111 1.885,1112 1.906,1113 1.051,1114 1.898,1115 1.682,1116 1.627,1117 1.855,1118 1.872,1119 1.041,1120 1.88,1121 1.494,1122 1.436,1123 1.799,1124 1.754,1125 0.937,1126 1.763,1127 1.427,1128 1.368,1129 1.632,1130 1.667,1131 0.829,1132 1.659,1133 1.317,1134 1.258,1135 1.525,1136 1.562,1137 0.731,1138 1.556,1139 4.489,1140 5.796,1141 2.398,1142 7.28,1143 4.727,1144 8.848,1145 6.823,1146 10.463,1147 5.618,1152 1.586,1153 8.53,1154 5.056,1156 -1.988,1157 1.521,1159 48.637,1160 122.824,1161 291.645,1162 405.576,1163 453.88,1164 463.49,1165 463.49,1166 127.671,1167 7.942,1168 132.63,1169 132.63,1170 23,1171 12.791,1172 4.392,1173 3.7,1174 75.61,1175 200,1176 223,1177 0.176,1178 300.311,1179 532.63,1180 724.518,1181 33488,1183 29.355,1184 0.716,1185 0.581,1186 29.355,1187 23.814,1188 19.728,1189 0.448,1190 0.321,1191 13.948,1192 18.964,1193 13.571,1194 11.302,1195 19.728,1196 14.138,1197 17.811,1198 0.297,1199 0.181,1200 17.811,1201 10.845,1202 13.783,1203 0.184,1204 0.094,1205 13.783,1206 7.082,1207 11.732,1208 0.12,1209 0.053,1210 11.732,1211 5.235,1212 9.168,1213 0.078,1214 0.029,1215 9.168,1216 3.452,1217 0.276,1218 123.837,1219 0.186,1220 36.459,1221 0.484,1222 208,1223 621.654,1224 231.029,1225 590.883,1226 785.82,1227 550,1228 239,1229 555.704,1230 260.733,1231 558.182,1232 811.85,1233 525,1234 6.367}
{0 CHEMBL170026,1 1.546,2 14.043,3 4.295,4 18.446,5 174.286,6 7.042,7 0.32,8 4.592,9 4.717,10 4.084,11 4.075,12 5.694,13 4.053,14 5.162,15 5.341,16 4.481,17 4.487,18 6.292,19 4.438,20 5.501,21 5.708,22 4.536,23 4.675,24 6.542,25 4.594,26 5.647,27 5.897,28 4.629,29 4.695,30 6.71,31 4.623,32 5.613,33 5.816,34 4.738,35 4.684,36 7.004,37 4.651,38 5.672,39 5.89,40 4.759,41 4.779,42 6.877,43 4.728,44 5.76,45 5.967,46 4.822,47 4.872,48 6.94,49 4.817,50 5.868,51 6.093,52 4.833,53 4.932,54 7.076,55 4.86,56 0.095,57 1.311,58 20.264,59 8.464,60 21.068,61 11.497,62 0.656,63 2.101,64 38.404,65 14.112,66 90.268,67 20.178,68 0.977,69 2.677,70 56.65,71 18.651,72 131.475,73 26.486,74 1.016,75 2.873,76 67.916,77 20.008,78 161.189,79 30.006,80 1.9,81 2.826,82 65.8,83 17.86,84 320.671,85 26.114,86 1.397,87 3.031,88 68.952,89 20.706,90 238.554,91 29.758,92 1.254,93 3.274,94 74.685,95 23.191,96 211.01,97 32.775,98 1.841,99 3.511,100 85.185,101 25.444,102 309.77,103 36.35,104 142,105 71,106 0.229,107 0.545,108 0.735,109 0.836,110 0.855,111 0.855,112 3.874,113 0.955,114 -2.56,115 -2.59,116 -2.52,117 38,118 5,119 4,120 1,122 1,124 4,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 16,151 1,152 2,153 5,156 5,158 7,161 20,165 1,166 5,167 1,169 4,170 1,171 8,174 10,177 1,178 12,179 1,181 1,183 10,184 1,185 4,188 6,189 12,190 1,191 5,192 2,193 6,195 4,198 1,199 13,202 5,203 2,204 7,205 1,206 8,207 2,210 20,213 3,214 1,215 12,217 13,218 2,220 5,221 17,222 1,223 1,225 9,227 15,228 4,230 1,231 15,234 4,235 1,236 12,237 1,239 20,240 3,243 5367,244 30.325,245 30.325,246 30.325,247 30.325,248 30.325,249 27.689,250 29.169,251 17.87,252 30.697,253 24.737,254 24.737,255 24.737,256 24.737,257 24.737,258 20.649,259 31.914,260 8.577,261 25.306,262 4.977,263 2.839,264 1.557,265 0.874,266 0.748,267 0.748,268 4.557,273 1385,274 6.164,275 130.86,276 534.916,278 242.608,282 2.003,283 76.446,285 0.5,286 0.5,287 0.5,288 0.8,289 1,290 0.33,292 0.52,293 103.5,294 660,295 4.53,296 3.969,297 6.752,298 4.153,299 3.187,300 4.474,301 2.341,302 10.987,303 3.076,304 4.301,305 3.821,306 6.542,307 4.085,308 3.137,309 3.482,310 2.189,311 10.338,312 3.041,313 4.167,314 3.709,315 6.447,316 4.058,317 3.081,318 3.424,319 2.02,320 10.157,321 2.927,322 3.997,323 3.623,324 6.128,325 3.811,326 2.827,327 3.247,328 1.955,329 8.956,330 2.775,331 3.916,332 3.547,333 5.946,334 3.633,335 2.643,336 3.127,337 1.918,338 8.3,339 2.613,340 3.794,341 3.168,342 5.556,343 3.56,344 2.561,345 2.958,346 0.633,347 7.59,348 2.553,349 3.502,350 3.128,351 5.172,352 3.197,353 2.205,354 2.718,355 0.41,356 6.108,357 2.172,358 3.427,359 2.833,360 5.092,361 3.132,362 2.14,363 2.653,364 0.223,365 6.06,366 2.119,367 3.381,368 2.534,369 5.046,370 3.056,371 2.075,372 2.543,373 0.142,374 5.891,375 2.002,376 3.224,377 2.324,378 4.875,379 2.969,380 1.977,381 2.318,382 0.026,383 5.534,384 1.959,385 3.187,386 2.275,387 4.618,388 2.951,389 1.945,390 2.285,392 4.925,393 1.938,394 3.046,395 2.201,396 4.509,397 2.649,398 1.681,399 2.23,401 4.55,402 1.615,403 2.832,404 1.868,405 4.228,406 2.518,407 1.546,408 1.917,410 3.784,411 1.501,412 2.788,413 1.783,414 4.024,415 2.408,416 1.412,417 1.801,419 3.198,420 1.405,421 2.666,422 1.546,423 3.677,424 2.247,425 1.245,426 1.711,428 3.045,429 1.24,430 21.833,431 0.465,432 1.563,433 0.033,434 51.25,435 1.09,436 21.5,437 0.457,438 29.75,439 0.633,440 60.386,441 1.285,442 53.767,443 0.584,444 53.657,445 1.142,446 9.934,447 0.211,448 12.261,449 0.261,450 0.206,451 0.023,452 0.339,454 0.752,455 1.403,456 0.857,457 1.198,458 0.616,459 1.061,460 0.51,461 1.242,462 0.818,463 1.121,464 0.439,465 1.038,466 1.089,467 1.12,468 1.148,469 1.114,470 0.962,471 1.138,472 1.044,473 1.043,474 0.871,475 0.92,476 1.099,477 0.864,478 1.25,479 1.041,480 1.078,481 0.944,482 1.316,483 0.962,484 1.174,485 0.98,486 0.988,487 0.936,488 1.223,489 0.921,490 1.295,491 1.111,492 1.064,493 1.063,494 1.368,495 1.025,496 1.291,497 0.933,498 1.072,499 0.92,500 1.322,501 0.947,502 12.5,503 0.73,504 4.667,505 3.979,506 2.893,507 2.038,508 1.86,509 1.323,510 1.197,511 0.881,512 35337,513 94575,514 1.964,515 48.9,516 7,517 15,518 1,520 5,521 2,522 15,524 1.848,525 1.79,526 3.717,527 2.045,530 142.248,531 1.546,532 3.684,533 4.966,534 5.65,535 5.776,536 5.776,537 3.167,538 5.283,539 5.527,540 3.927,541 4244.73,542 9.872,543 81470.8,546 600.168,547 1.659,548 5.451,549 0.25,550 0.009,551 0.066,552 0.056,553 0.037,554 0.024,555 0.021,556 0.014,557 0.013,558 0.009,559 0.499,560 0.17,561 0.63,562 1.352,563 274.569,564 -0.064,565 -0.098,566 0.024,567 -0.012,568 -0.056,569 0.019,570 0.246,571 -0.061,572 0.104,573 -0.029,574 0.158,575 0.001,576 -0.088,577 -0.034,578 -0.172,579 -0.097,580 -0.121,581 -0.148,582 -0.037,583 -0.057,584 0.131,585 0.034,586 -0.05,587 0.105,588 0.128,589 0.021,590 -0.03,591 -0.008,592 0.149,593 -0.041,594 -0.009,595 0.062,596 0.026,597 0.034,598 0.001,599 0.038,600 -0.106,601 -0.077,602 -0.054,603 -0.069,604 -0.097,605 -0.054,606 -0.067,607 0.057,608 -0.048,609 0.046,610 -0.039,611 0.011,612 2.894,613 7.25,614 0.447,615 57.592,616 1.005,617 1.133,618 1.333,619 1.778,620 0.635,621 3.932,622 4.277,623 4.454,624 4.745,625 4.934,626 5.011,627 5.165,628 5.278,629 5.333,630 5.394,631 8.583,632 0.605,633 647.85,634 3.932,635 5.493,636 6.319,637 7.209,638 8.058,639 8.95,640 9.812,641 10.706,642 11.576,643 12.469,644 5.4,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 92,670 21,671 2,672 50,673 95,674 35,675 14,676 3,677 9,679 4,680 5,684 5,685 2,687 8,688 19,689 16,690 2,691 5,692 5,695 5,699 45,700 11,701 5,702 12,705 5,706 0.75,707 7,710 1,712 1,713 3,715 1,719 2,720 1,721 1,728 1,729 1,731 3,734 5,737 47,739 1,740 5,741 3,742 1,744 5,745 1,746 1,749 7.6,751 1,752 5,754 1,755 26.25,756 17.4,757 10.153,758 5.503,759 2.386,760 1.292,761 0.915,762 12.237,763 10.556,764 4.159,765 4.68,766 5.087,767 5.599,768 6.005,769 6.136,770 6.469,771 6.784,772 6.734,773 6.964,774 1,775 71,776 17.797,777 7.866,778 7.988,779 32.955,780 27.173,781 2.488,782 116.917,785 470.844,786 183.578,787 73.942,789 179.408,792 183.578,793 650.252,794 73.942,795 44.126,796 69.4,797 94.334,798 183.432,799 36.73,800 20.678,801 459.073,803 470.844,804 257.52,805 179.408,807 294.278,808 355.974,810 130.312,811 127.208,814 470.844,815 253.35,816 183.578,817 470.844,818 45.118,819 141.584,820 70.818,821 179.408,822 470.844,823 253.35,824 183.578,825 0.586,826 0.31,827 0.175,828 0.098,829 30,830 17,831 0.147,832 14,833 1,834 1.095,835 5.103,836 500.175,837 0.095,838 21,839 250.311,841 36.128,842 15.92,843 10.386,844 1.746,845 236.564,846 18.801,848 3.176,850 1.726,852 113.501,853 907.772,854 63,855 66.104,858 -3.755,859 92.472,860 104.261,861 0.237,862 0.565,863 0.761,864 0.866,865 0.885,866 0.885,867 5.429,868 2.14,869 6.344,870 6.108,871 4.963,872 5.368,873 3.651,874 7.165,875 4.917,876 6.629,877 2.075,878 7.914,879 6.06,880 4.745,881 5.239,882 3.277,883 8.187,884 4.674,885 7.932,886 1.977,887 9.584,888 5.891,889 6.6,890 7.43,891 4.865,892 11.21,893 6.493,894 9.26,895 1.945,896 11.313,897 5.534,898 7.124,899 8.069,900 5.095,901 13.005,902 6.984,903 10.616,904 1.681,905 13.078,906 4.925,907 8.525,908 9.834,909 6.256,910 15.597,911 8.351,912 11.993,913 1.546,914 14.869,915 4.55,916 9.378,917 10.868,918 6.753,919 17.708,920 9.165,921 13.386,922 1.412,923 16.678,924 3.784,925 10.609,926 12.467,927 7.733,928 20.15,929 10.361,930 3.187,931 1.245,932 18.502,933 3.198,934 11.615,935 13.72,936 8.369,937 22.399,938 11.325,939 3.137,940 10.987,941 20.336,942 3.045,943 12.78,944 15.252,945 9.263,946 24.787,947 12.454,948 3.081,949 10.338,950 22.179,951 4.474,952 13.855,953 16.624,954 9.978,955 27.096,956 13.488,957 2.827,958 10.157,959 24.029,960 3.482,961 14.997,962 18.129,963 10.831,964 29.466,965 14.593,966 2.643,967 8.956,968 25.885,969 3.424,970 16.105,971 19.563,972 11.592,973 31.804,974 15.66,975 2.561,976 8.3,977 27.746,978 3.247,979 17.241,980 21.059,981 12.427,982 34.169,983 16.758,984 2.205,985 7.59,986 29.611,987 3.127,988 18.364,989 22.525,990 13.215,991 36.522,992 17.841,993 34467,994 56608,995 31.728,996 58.438,997 76.703,998 79.453,999 77.352,1000 75.025,1001 74.952,1002 91.903,1003 23.716,1004 217.295,1005 73.421,1006 5.53,1007 5.969,1008 6.554,1009 5.227,1010 5.187,1011 7.474,1012 4.044,1013 18.388,1014 5.076,1015 31.597,1016 1.534,1017 1.589,1018 1.547,1019 1.5,1020 1.499,1021 1.838,1022 0.474,1023 4.346,1024 1.468,1025 4.135,1026 4.17,1027 4.088,1028 4.049,1029 7.475,1030 4.054,1031 3.983,1032 4.025,1033 3.911,1034 3.882,1035 7.439,1036 3.879,1037 3.863,1038 3.901,1039 3.791,1040 3.724,1041 7.43,1042 3.736,1043 3.782,1044 3.825,1045 3.704,1046 3.603,1047 7.426,1048 3.613,1049 3.73,1050 3.779,1051 3.614,1052 3.565,1053 7.421,1054 3.567,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.502,1062 3.533,1063 3.409,1064 3.313,1065 4.971,1066 3.32,1067 3.431,1068 3.489,1069 3.312,1070 3.263,1071 4.754,1072 3.27,1073 0.091,1074 0.079,1075 0.135,1076 0.083,1077 0.064,1078 4.53,1079 0.089,1080 3.969,1081 0.047,1082 6.752,1083 0.22,1084 4.153,1085 0.062,1086 3.187,1087 4.474,1088 2.341,1089 10.987,1090 3.076,1091 1.942,1092 1.919,1093 2.072,1094 2.075,1095 1.35,1096 2.069,1097 1.936,1098 1.904,1099 2.04,1100 2.023,1101 1.298,1102 2.029,1103 1.822,1104 1.777,1105 2.012,1106 1.981,1107 1.237,1108 1.989,1109 1.734,1110 1.686,1111 1.947,1112 1.933,1113 1.119,1114 1.927,1115 1.707,1116 1.657,1117 1.911,1118 1.9,1119 1.118,1120 1.914,1121 1.665,1122 1.612,1123 1.848,1124 1.846,1125 1.041,1126 1.859,1127 1.446,1128 1.403,1129 1.672,1130 1.675,1131 0.93,1132 1.663,1133 1.432,1134 1.376,1135 1.628,1136 1.664,1137 0.813,1138 1.659,1139 4.615,1140 5.953,1141 2.398,1142 7.454,1143 4.727,1144 9.036,1145 6.823,1146 10.666,1147 8.93,1151 9.606,1152 0.241,1153 8.389,1154 5.448,1156 -3.963,1157 1.282,1158 -0.813,1159 55.647,1160 142.248,1161 338.974,1162 456.896,1163 519.764,1164 531.374,1165 531.374,1166 190.976,1167 8.17,1168 169.93,1169 169.93,1170 23,1171 13.001,1172 4.459,1173 3.807,1174 93.692,1175 237,1176 261,1177 0.183,1178 343.745,1179 616.77,1180 830.498,1181 42380,1183 34.302,1184 0.73,1185 0.586,1186 34.302,1187 27.54,1188 22.195,1189 0.444,1190 0.318,1191 15.701,1192 21.308,1193 15.167,1194 12.658,1195 22.195,1196 15.913,1197 21.621,1198 0.305,1199 0.189,1200 21.621,1201 13.453,1202 15.152,1203 0.178,1204 0.092,1205 15.152,1206 7.846,1207 13.317,1208 0.117,1209 0.051,1210 13.317,1211 5.82,1212 10.427,1213 0.076,1214 0.028,1215 10.427,1216 3.898,1217 0.285,1218 139.615,1219 0.178,1220 40.266,1221 0.512,1222 242,1223 741.539,1224 271.119,1225 703.838,1226 925.78,1227 650,1228 277,1229 653.541,1230 302.887,1231 655.936,1232 949.68,1233 614,1234 6.076}
{0 CHEMBL170197,1 1.498,2 13.256,3 3.947,4 15.58,5 147.991,6 6.794,7 0.293,8 4.425,9 4.556,10 3.89,11 3.915,12 5.49,13 3.881,14 4.998,15 5.189,16 4.268,17 4.307,18 6.065,19 4.247,20 5.328,21 5.539,22 4.317,23 4.492,24 6.357,25 4.397,26 5.465,27 5.731,28 4.399,29 4.482,30 6.495,31 4.4,32 5.389,33 5.594,34 4.495,35 4.465,36 6.755,37 4.431,38 5.454,39 5.681,40 4.491,41 4.568,42 6.573,43 4.505,44 5.502,45 5.705,46 4.535,47 4.653,48 6.657,49 4.583,50 5.622,51 5.861,52 4.508,53 4.699,54 6.797,55 4.594,56 0.031,57 1.112,58 17.856,59 7.354,60 13.2,61 10.234,62 0.503,63 1.762,64 33.57,65 12.008,66 58.322,67 17.461,68 0.747,69 2.231,70 48.271,71 15.959,72 96.535,73 22.855,74 0.602,75 2.352,76 56.618,77 16.666,78 114.817,79 25.405,80 1.352,81 2.28,82 53.239,83 13.842,84 234.981,85 20.764,86 0.874,87 2.423,88 55.836,89 16.995,90 141.013,91 24.547,92 0.667,93 2.584,94 57.635,95 18.631,96 139.756,97 26.381,98 1.33,99 2.791,100 66.424,101 20.371,102 226.655,103 29.88,104 92,105 57,106 0.23,107 0.52,108 0.697,109 0.781,110 0.808,111 0.819,112 3.693,113 0.979,114 -3.14,115 -3.13,116 -3.01,117 38,118 5,119 2,120 1,122 2,124 3,126 1,132 10,133 2,141 3,142 1,150 16,152 2,153 3,156 4,158 3,161 20,165 1,166 4,169 4,170 1,171 5,174 8,178 12,183 11,185 1,188 5,189 15,191 3,193 6,195 1,199 15,202 3,203 1,204 5,206 7,210 17,215 7,217 14,220 5,221 12,223 1,225 4,227 18,231 9,234 1,235 1,236 4,239 18,243 3318,244 25.101,245 25.101,246 25.101,247 25.101,248 25.101,249 23.079,250 26.435,251 14.991,252 25.407,253 20.304,254 20.304,255 20.304,256 20.304,257 20.304,258 17.2,259 31.294,260 7.231,261 20.768,262 4.806,263 2.92,264 1.767,265 1.219,266 1.048,267 0.972,268 4.367,272 1,273 1068,274 5.612,276 472.622,282 2.02,283 54.427,285 0.75,286 0.5,287 0.67,288 0.9,289 1,290 0.67,291 0.5,292 0.71,293 85,294 517,295 4.257,296 3.921,297 6.51,298 4.087,299 3.143,300 3.632,301 2.199,302 10.234,303 3.004,304 4.16,305 3.827,306 6.441,307 4.032,308 3.061,309 3.461,310 2.075,311 10.065,312 2.925,313 4.113,314 3.689,315 6.384,316 3.925,317 2.945,318 3.316,319 2.006,320 9.732,321 2.874,322 3.932,323 3.569,324 5.697,325 3.667,326 2.68,327 3.202,328 1.928,329 7.988,330 2.643,331 3.723,332 3.168,333 5.378,334 3.438,335 2.447,336 2.935,337 0.741,338 6.995,339 2.422,340 3.568,341 2.833,342 5.114,343 3.167,344 2.175,345 2.808,346 0.617,347 6.07,348 2.153,349 3.422,350 2.772,351 4.981,352 3.132,353 2.139,354 2.543,355 0.271,356 5.827,357 2.121,358 3.223,359 2.454,360 4.865,361 3.047,362 2.057,363 2.263,364 0.171,365 5.451,366 2,367 3.144,368 2.287,369 4.711,370 2.913,371 1.902,372 2.219,373 0.106,374 5.186,375 1.911,376 2.909,377 2.001,378 4.458,379 2.626,380 1.663,381 2.033,383 4.403,384 1.594,385 2.82,386 1.818,387 3.911,388 2.415,389 1.411,390 1.901,392 3.191,393 1.413,394 2.636,395 1.772,396 3.589,397 2.371,398 1.376,399 1.633,401 3.018,402 1.365,403 2.5,404 1.498,405 3.513,406 2,407 1,408 1.5,410 2.136,411 1,412 2.5,413 1.184,414 3.346,415 2,416 1,417 1.5,419 2.136,420 1,421 2.136,422 1,423 3.247,424 1.784,425 0.792,426 0.958,428 2.125,429 0.774,430 18.267,431 0.468,432 1.264,433 0.032,434 42.25,435 1.083,436 18,437 0.462,438 24.25,439 0.622,440 45.943,441 1.178,442 44.733,443 0.566,444 40.473,445 1.038,446 8.203,447 0.21,448 10.205,449 0.262,450 0.21,451 0.027,452 0.296,454 0.71,455 1.441,456 0.884,457 1.243,458 0.576,459 1.106,460 0.559,461 1.203,462 0.854,463 1.103,464 0.482,465 1.034,466 1.158,467 1.129,468 1.184,469 1.148,470 1.014,471 1.17,472 1.087,473 1.041,474 0.798,475 0.883,476 1.132,477 0.8,478 1.522,479 1.042,480 1.154,481 0.919,482 1.597,483 0.951,484 1.371,485 0.908,486 1.006,487 0.876,488 1.405,489 0.875,490 1.445,491 1.183,492 1.143,493 1.126,494 1.514,495 1.091,496 1.18,497 0.928,498 1.098,499 0.941,500 1.231,501 0.992,502 10.5,503 0.467,504 3.333,505 3.313,506 2.076,507 1.569,508 1.402,509 1.082,510 0.736,511 0.501,512 21679,513 54533,514 1.945,515 50.6,516 7,517 17,520 3,522 13,524 1.801,525 1.779,526 3.657,527 0.748,530 118.305,531 1.498,532 3.384,533 4.537,534 5.085,535 5.256,536 5.332,537 3.115,538 4.856,539 5.257,540 3.859,541 2859.71,542 9.312,543 48495.3,546 497.999,547 1.654,548 5.183,549 0.256,550 0.009,551 0.058,552 0.059,553 0.033,554 0.024,555 0.02,556 0.015,557 0.011,558 0.009,559 0.496,560 0.33,561 0.75,562 1.334,563 217.125,564 -0.034,565 -0.134,566 0.032,567 -0.048,568 -0.049,569 -0.004,570 0.26,571 -0.031,572 0.101,573 -0.026,574 0.127,575 0.002,576 -0.053,577 -0.05,578 -0.186,579 -0.134,580 -0.11,581 -0.182,582 -0.026,583 -0.083,584 0.211,585 0.055,586 -0.008,587 0.158,588 0.065,589 0.042,590 -0.072,591 0.001,592 0.111,593 -0.045,594 -0.099,595 0.123,596 0.025,597 0.09,598 -0.081,599 0.081,600 -0.185,601 -0.133,602 -0.125,603 -0.109,604 -0.123,605 -0.107,606 0.011,607 0.075,608 -0.08,609 0.024,610 0.031,611 -0.031,612 2.408,613 6.701,614 0.462,615 44.955,616 0.999,617 1.133,618 1.909,619 3.643,620 0.633,621 3.738,622 4.06,623 4.19,624 4.454,625 4.615,626 4.644,627 4.762,628 4.836,629 4.836,630 4.883,631 7.981,632 0.597,633 536.74,634 3.738,635 5.283,636 6.089,637 6.965,638 7.791,639 8.67,640 9.507,641 10.386,642 11.23,643 12.109,644 5.1,649 4,654 10,658 2,660 12,669 79,670 16,671 2,672 41,673 81,674 30,675 12,676 2,677 10,679 3,680 3,684 5,685 1,687 5,688 16,689 14,690 2,691 4,692 4,695 4,699 40,700 9,701 3,702 9,705 4,706 1,707 5,713 3,719 2,720 1,728 1,731 3,734 5,737 39,740 4,741 3,742 1,744 4,745 1,746 1,749 6.3,752 4,754 1,755 21.917,756 15.2,757 8.486,758 4.743,759 1.524,760 1.203,761 0.91,762 10.819,763 9.018,764 3.951,765 4.419,766 4.732,767 5.169,768 5.555,769 5.435,770 5.683,771 5.894,772 5.955,773 6.1,774 0.889,775 56,776 14.681,777 6.295,778 7.9,779 27.53,780 22.297,781 2.4,782 93.583,785 435.531,786 175.417,787 57.157,789 111.58,792 175.417,793 547.11,794 57.157,795 44.126,796 66.437,797 94.762,798 114.694,799 17.371,800 6.763,801 435.531,803 435.531,804 232.573,805 111.58,807 282.506,808 264.604,810 110.563,811 122.01,814 435.531,815 168.736,816 175.417,817 435.531,818 36.528,819 142.013,820 54.032,821 111.58,822 435.531,823 168.736,824 175.417,825 0.582,826 0.301,827 0.168,828 0.093,829 23,830 13,831 0.136,832 11,834 1,835 4.614,836 371.482,838 18,839 189.376,841 30.489,842 13.839,843 9.886,845 168.736,846 18.56,850 1.611,852 54.032,853 779.684,854 51,855 52.365,858 -1.837,859 78.949,860 89.514,861 0.238,862 0.537,863 0.72,864 0.807,865 0.834,866 0.846,867 5.209,868 2.057,869 6.107,870 5.827,871 4.745,872 5.106,873 3.447,874 6.899,875 4.699,876 6.391,877 1.902,878 7.659,879 5.451,880 4.511,881 4.868,882 2.955,883 7.899,884 4.438,885 7.676,886 1.663,887 9.312,888 5.186,889 6.361,890 7.049,891 4.592,892 10.881,893 6.249,894 8.983,895 1.411,896 11.024,897 4.403,898 6.858,899 7.472,900 4.717,901 12.64,902 6.708,903 10.315,904 1.376,905 12.772,906 3.191,907 8.26,908 9.243,909 5.913,910 15.197,911 8.072,912 11.664,913 1,914 14.547,915 3.018,916 9.085,917 9.967,918 6.312,919 17.268,920 8.852,921 13.028,922 1,923 16.34,924 2.136,925 10.312,926 11.563,927 7.307,928 19.673,929 10.042,930 3.143,931 0.792,932 18.146,933 2.136,934 11.293,935 12.453,936 7.852,937 21.877,938 10.974,939 3.061,940 10.234,941 19.964,942 2.125,943 12.45,944 13.952,945 8.742,946 24.222,947 12.092,948 2.945,949 10.065,950 21.79,951 3.632,952 13.504,953 14.946,954 9.371,955 26.484,956 13.098,957 2.68,958 9.732,959 23.623,960 3.461,961 14.635,962 16.382,963 10.203,964 28.806,965 14.187,966 2.447,967 7.988,968 25.462,969 3.316,970 15.723,971 17.448,972 10.882,973 31.093,974 15.228,975 2.175,976 6.995,977 27.305,978 3.202,979 16.845,980 18.84,981 11.683,982 33.408,983 16.307,984 2.139,985 6.07,986 29.151,987 2.935,988 17.951,989 19.959,990 12.394,991 35.707,992 17.365,993 21497,994 34273,995 25.948,996 50,997 62.218,998 64.653,999 62.329,1000 60.786,1001 60.727,1002 73.224,1003 20.225,1004 172.045,1005 59.546,1006 5.257,1007 5.921,1008 6.312,1009 5.158,1010 5.143,1011 6.632,1012 3.902,1013 17.24,1014 5.004,1015 25.414,1016 1.518,1017 1.577,1018 1.52,1019 1.483,1020 1.481,1021 1.786,1022 0.493,1023 4.196,1024 1.452,1025 3.998,1026 4.039,1027 3.925,1028 3.898,1029 7.44,1030 3.896,1031 3.925,1032 3.959,1033 3.855,1034 3.855,1035 7.431,1036 3.849,1037 3.834,1038 3.876,1039 3.756,1040 3.69,1041 7.426,1042 3.698,1043 3.737,1044 3.783,1045 3.634,1046 3.56,1047 7.421,1048 3.565,1049 3.716,1050 3.771,1051 3.597,1052 3.554,1053 4.767,1054 3.554,1055 3.546,1056 3.6,1057 3.433,1058 3.346,1059 4.741,1060 3.365,1061 3.393,1062 3.446,1063 3.284,1064 3.185,1065 4.563,1066 3.197,1067 3.266,1068 3.316,1069 3.142,1070 3.082,1071 4.303,1072 3.091,1073 0.104,1074 0.096,1075 0.159,1076 0.1,1077 0.077,1078 4.257,1079 0.089,1080 3.921,1081 0.054,1082 6.51,1083 0.25,1084 4.087,1085 0.073,1086 3.143,1087 3.632,1088 2.199,1089 10.234,1090 3.004,1091 1.935,1092 1.902,1093 2.07,1094 2.066,1095 1.337,1096 2.064,1097 1.922,1098 1.894,1099 2.042,1100 2.025,1101 1.293,1102 2.03,1103 1.801,1104 1.751,1105 2.007,1106 1.959,1107 1.159,1108 1.973,1109 1.697,1110 1.648,1111 1.946,1112 1.898,1113 1.117,1114 1.911,1115 1.693,1116 1.635,1117 1.884,1118 1.884,1119 1.05,1120 1.895,1121 1.48,1122 1.43,1123 1.666,1124 1.717,1125 0.84,1126 1.706,1127 1.326,1128 1.275,1129 1.537,1130 1.576,1131 0.74,1132 1.56,1133 1.229,1134 1.178,1135 1.481,1136 1.452,1137 0.67,1138 1.466,1139 4.419,1140 5.74,1142 7.225,1144 8.786,1146 10.39,1147 9.131,1152 1.225,1153 8.474,1154 5.375,1156 -2.086,1157 1.512,1158 -0.747,1159 47.142,1160 118.305,1161 267.304,1162 358.402,1163 401.695,1164 415.205,1165 421.205,1166 147.643,1167 7.494,1168 116.84,1169 116.84,1170 18,1171 12.653,1172 4.087,1173 3.459,1174 83.249,1175 182,1176 205,1177 0.213,1178 294.245,1179 530.23,1180 709.718,1181 17843,1183 28.579,1184 0.733,1185 0.6,1186 28.579,1187 23.4,1188 18.408,1189 0.449,1190 0.326,1191 13.213,1192 17.729,1193 12.693,1194 10.674,1195 18.408,1196 13.379,1197 17.807,1198 0.312,1199 0.199,1200 17.807,1201 11.354,1202 12.026,1203 0.185,1204 0.095,1205 12.026,1206 6.155,1207 10.532,1208 0.124,1209 0.053,1210 10.532,1211 4.544,1212 7.96,1213 0.08,1214 0.029,1215 7.96,1216 2.913,1217 0.334,1218 115.317,1219 0.196,1220 34.972,1221 0.59,1222 196,1223 581.321,1224 218.637,1225 553.604,1226 728.42,1227 512,1228 220,1229 512.551,1230 240.566,1231 516.934,1232 744.39,1233 482,1234 4.62}
{0 CHEMBL170207,1 1.555,2 12.27,3 3.383,4 11.441,5 137.093,6 7.314,7 0.4,8 4.317,9 4.438,10 3.848,11 3.838,12 5.439,13 3.819,14 4.87,15 5.039,16 4.215,17 4.247,18 6.007,19 4.196,20 5.207,21 5.427,22 4.306,23 4.403,24 6.254,25 4.33,26 5.289,27 5.51,28 4.368,29 4.406,30 6.427,31 4.349,32 5.305,33 5.512,34 4.439,35 4.404,36 6.683,37 4.362,38 5.347,39 5.561,40 4.419,41 4.462,42 6.583,43 4.407,44 5.398,45 5.616,46 4.428,47 4.521,48 6.563,49 4.454,50 5.408,51 5.616,52 4.415,53 4.551,54 6.618,55 4.474,56 0.08,57 0.997,58 14.356,59 6.301,60 16.953,61 8.282,62 0.393,63 1.626,64 26.961,65 10.608,66 61.193,67 14.733,68 0.639,69 2.061,70 41.4,71 14.138,72 99.027,73 19.882,74 0.794,75 2.136,76 46.042,77 14.558,78 120.795,79 20.399,80 1.227,81 2.132,82 47.14,83 14.283,84 230.209,85 19.932,86 1.018,87 2.238,88 49.089,89 15.271,90 191.129,91 21.102,92 0.979,93 2.322,94 51.781,95 16.751,96 159.751,97 22.847,98 0.951,99 2.327,100 51.878,101 17.724,102 187.03,103 23.731,104 46,105 55,106 0.243,107 0.588,108 0.778,109 0.878,110 0.899,111 0.899,112 3.642,113 0.945,114 -2.95,115 -2.95,116 -2.85,117 40.6,118 1,119 5,122 1,124 3,132 9,133 3,138 1,139 1,141 4,148 1,149 1,150 15,151 1,152 1,153 3,156 3,158 7,161 15,165 1,166 5,167 1,169 3,171 6,174 10,177 1,178 7,179 1,181 2,182 1,183 5,184 1,185 3,188 4,189 11,190 1,191 3,192 1,193 6,195 4,198 1,199 12,202 2,203 1,204 5,205 1,206 6,207 2,210 12,213 3,214 1,215 5,217 11,218 2,220 1,221 12,222 1,223 1,225 7,227 14,228 4,230 1,231 10,234 1,236 10,239 14,240 4,243 2848,244 24.922,245 24.922,246 24.922,247 24.922,248 24.922,249 22.479,250 19.497,251 15.025,252 25.114,253 19.737,254 19.737,255 19.737,256 19.737,257 19.737,258 15.982,259 20.464,260 7.12,261 20.02,262 4.554,263 2.352,264 1.136,265 0.498,266 0.359,267 0.359,268 4.334,272 1,273 969,274 4.69,275 93.335,276 389.383,278 174.068,282 1.698,283 56.749,285 0.75,286 0.5,287 0.67,288 0.9,289 0.5,290 0.83,291 1,292 0.74,293 81,294 454,295 4.58,296 3.964,297 6.755,298 4.166,299 3.193,300 4.512,301 2.341,302 10.995,303 3.124,304 4.294,305 3.702,306 6.678,307 4.109,308 3.125,309 3.481,310 2.013,311 10.747,312 3.05,313 3.939,314 3.573,315 6.03,316 3.698,317 2.709,318 3.421,319 1.93,320 8.556,321 2.673,322 3.872,323 3.539,324 5.614,325 3.57,326 2.573,327 3.164,328 1.061,329 7.599,330 2.562,331 3.698,332 2.887,333 5.555,334 3.318,335 2.313,336 2.959,337 0.619,338 7.18,339 2.313,340 3.501,341 2.832,342 5.083,343 3.19,344 2.2,345 2.653,346 0.162,347 6.102,348 2.162,349 3.195,350 2.502,351 5.044,352 2.951,353 1.95,354 2.32,355 0.063,356 5.671,357 1.938,358 3.076,359 2.224,360 4.611,361 2.865,362 1.891,363 2.284,365 4.919,366 1.828,367 3.045,368 2.109,369 4.457,370 2.522,371 1.547,372 2.191,374 4.102,375 1.509,376 2.89,377 1.757,378 4.023,379 2.486,380 1.49,381 1.951,383 3.377,384 1.478,385 2.81,386 1.545,387 3.842,388 2.409,389 1.412,390 1.892,392 3.05,393 1.407,394 2.535,395 1.517,396 3.607,397 2.372,398 1.368,399 1.52,401 2.926,402 1.365,403 2.528,404 1.418,405 3.558,406 2.028,407 1.041,408 1.5,410 2.57,411 1.021,412 2.5,413 1.258,414 3.354,415 2,416 1,417 1.477,419 2.136,420 1,421 2.161,422 1.115,423 3.247,424 1.859,425 0.84,426 1.014,428 1.931,429 0.845,430 17.267,431 0.467,432 0.891,433 0.024,434 43.5,435 1.176,436 20,437 0.541,438 23.5,439 0.635,440 38.06,441 1.029,442 40.933,443 0.593,444 40.033,445 1.082,446 8.58,447 0.232,448 9.287,449 0.251,450 0.125,452 0.342,454 0.731,455 1.302,456 0.818,457 1.087,458 0.593,459 0.979,460 0.515,461 1.283,462 0.882,463 1.154,464 0.464,465 1.092,466 0.906,467 1.043,468 0.97,469 1.004,470 0.899,471 0.995,472 1.144,473 1.061,474 0.988,475 0.992,476 1.198,477 0.962,478 1.116,479 1.054,480 0.99,481 0.97,482 1.151,483 0.953,484 1.246,485 0.994,486 1.047,487 0.945,488 1.221,489 0.95,490 1.273,491 0.907,492 1.061,493 0.933,494 1.328,495 0.952,496 1.285,497 1.007,498 1.109,499 1.027,500 1.347,501 1.041,502 7,503 0.308,504 3.778,505 2.882,506 2.423,507 1.375,508 1.251,509 0.819,510 0.638,511 0.446,512 19247,513 52314,514 2.039,515 46.4,516 7,517 14,518 1,520 4,521 2,522 4,524 1.79,525 1.897,526 3.554,527 1.471,530 107.273,531 1.555,532 3.756,533 4.972,534 5.61,535 5.75,536 5.75,537 3.017,538 5.047,539 5.18,540 3.718,541 2476.36,542 9.167,543 39850.7,546 421.488,547 1.446,548 5.134,549 0.175,550 0.006,551 0.069,552 0.05,553 0.04,554 0.022,555 0.02,556 0.013,557 0.01,558 0.008,559 0.412,560 0.17,561 0.88,562 1.162,563 201.232,564 -0.073,565 -0.061,566 0.02,567 0.026,568 -0.041,569 0.039,570 0.169,571 -0.122,572 0.002,573 -0.099,574 0.112,575 -0.086,576 -0.015,577 0.005,578 -0.008,579 -0.018,580 -0.065,581 -0.014,582 -0.039,583 -0.046,584 0.014,585 -0.035,586 -0.086,587 -0.007,588 0.163,589 -0.038,590 0.033,591 -0.025,592 0.177,593 -0.019,594 -0.046,595 0.018,596 -0.034,597 0.009,598 -0.005,599 -0.004,600 -0.103,601 0.086,602 -0.052,603 0.035,604 -0.107,605 0.007,606 -0.116,607 -0.036,608 -0.111,609 -0.029,610 -0.089,611 -0.064,612 2.84,613 6.839,614 0.568,615 40.459,616 1.006,617 1.128,618 1.716,619 2.944,620 0.652,621 3.714,622 4.025,623 4.29,624 4.575,625 4.787,626 4.836,627 4.963,628 5.075,629 5.106,630 5.165,631 7.366,632 0.624,633 504.64,634 3.714,635 5.252,636 6.098,637 6.978,638 7.848,639 8.736,640 9.617,641 10.508,642 11.394,643 12.288,644 5.8,649 3,650 1,653 2,654 10,656 1,658 2,660 16,662 1,669 69,670 20,671 2,672 40,673 72,674 28,675 14,676 3,677 9,678 1,679 4,680 5,684 1,685 2,687 8,688 18,689 10,691 4,692 4,695 4,699 32,700 8,701 4,702 9,705 4,706 0.75,707 5,710 1,712 1,713 3,715 1,719 1,720 1,721 1,729 1,731 3,734 1,737 37,739 1,740 6,741 2,744 3,745 1,749 7.2,751 1,752 4,755 19.5,756 12.15,757 8.278,758 4.336,759 2.563,760 1.325,761 0.948,762 8.88,763 10.441,764 3.97,765 4.497,766 5.003,767 5.54,768 5.979,769 6.131,770 6.431,771 6.746,772 6.662,773 6.908,774 1,775 58,776 13.952,777 6.179,778 7.982,779 25.997,780 21.621,781 2.482,782 91.833,785 329.591,786 144.049,787 55.931,789 143.263,792 144.049,793 472.854,794 55.931,795 8.825,796 53.924,797 94.334,798 158.287,799 25.73,800 13.915,801 317.82,803 329.591,804 199.981,805 143.263,807 282.506,808 190.347,810 79.535,811 120.446,814 329.591,815 199.194,816 144.049,817 329.591,818 40.89,819 106.283,820 52.807,821 143.263,822 329.591,823 199.194,824 144.049,825 0.572,826 0.33,827 0.188,828 0.109,829 24,830 12,831 0.139,832 10,833 1,834 1.095,835 4.532,836 360.919,837 0.095,838 21,839 188.75,841 26.743,842 12.286,843 6.525,844 1.549,845 182.409,846 18.577,848 3.067,850 1.414,852 95.49,853 672.835,854 52,855 51.613,858 -2.516,859 69.414,860 77.853,861 0.255,862 0.615,863 0.814,864 0.918,865 0.941,866 0.941,867 5.209,868 1.891,869 6.08,870 5.671,871 4.71,872 5.185,873 3.244,874 6.895,875 4.68,876 6.39,877 1.547,878 7.64,879 4.919,880 4.29,881 4.945,882 2.87,883 7.808,884 4.251,885 7.682,886 1.49,887 9.303,888 4.102,889 6.297,890 7.288,891 4.392,892 10.941,893 6.228,894 9.006,895 1.412,896 11.029,897 3.377,898 6.711,899 7.912,900 4.667,901 12.707,902 6.628,903 10.365,904 1.368,905 12.796,906 3.05,907 8.186,908 9.751,909 5.78,910 15.358,911 8.075,912 11.749,913 1.041,914 14.592,915 2.926,916 8.988,917 10.808,918 6.335,919 17.476,920 8.858,921 13.153,922 1,923 16.409,924 2.57,925 10.254,926 12.445,927 7.281,928 19.959,929 10.097,930 3.193,931 0.84,932 18.242,933 2.136,934 11.24,935 13.727,936 7.971,937 22.228,938 11.061,939 3.125,940 10.995,941 20.087,942 1.931,943 12.423,944 15.281,945 8.847,946 24.649,947 12.218,948 2.709,949 10.747,950 21.942,951 4.512,952 13.494,953 16.676,954 9.605,955 26.984,956 13.265,957 2.573,958 8.556,959 23.805,960 3.481,961 14.648,962 18.197,963 10.453,964 29.383,965 14.394,966 2.313,967 7.599,968 25.675,969 3.421,970 15.758,971 19.649,972 11.248,973 31.745,974 15.48,975 2.2,976 7.18,977 27.55,978 3.164,979 16.903,980 21.157,981 12.086,982 34.137,983 16.6,984 1.95,985 6.102,986 29.429,987 2.959,988 18.032,989 22.637,990 12.901,991 36.513,992 17.705,993 18536,994 30735,995 26.353,996 44.955,997 60.245,998 62.189,999 61.723,1000 59.249,1001 59.219,1002 75.099,1003 16.374,1004 168.192,1005 58.432,1006 5.58,1007 5.964,1008 6.615,1009 5.235,1010 5.193,1011 7.512,1012 3.925,1013 18.401,1014 5.124,1015 19.749,1016 1.506,1017 1.555,1018 1.543,1019 1.481,1020 1.48,1021 1.877,1022 0.409,1023 4.205,1024 1.461,1025 4.131,1026 4.164,1027 4.091,1028 4.042,1029 7.475,1030 4.05,1031 3.975,1032 4.017,1033 3.902,1034 3.88,1035 7.435,1036 3.876,1037 3.852,1038 3.889,1039 3.781,1040 3.706,1041 7.426,1042 3.721,1043 3.727,1044 3.785,1045 3.614,1046 3.575,1047 7.422,1048 3.572,1049 3.526,1050 3.579,1051 3.409,1052 3.363,1053 6.351,1054 3.368,1055 3.498,1056 3.533,1057 3.399,1058 3.312,1059 4.957,1060 3.319,1061 3.4,1062 3.454,1063 3.287,1064 3.237,1065 4.753,1066 3.239,1067 3.191,1068 3.223,1069 3.099,1070 2.945,1071 4.303,1072 2.979,1073 0.114,1074 0.099,1075 0.169,1076 0.104,1077 0.08,1078 4.58,1079 0.113,1080 3.964,1081 0.059,1082 6.755,1083 0.275,1084 4.166,1085 0.078,1086 3.193,1087 4.512,1088 2.341,1089 10.995,1090 3.124,1091 1.939,1092 1.914,1093 2.071,1094 2.073,1095 1.351,1096 2.068,1097 1.933,1098 1.903,1099 2.029,1100 2.016,1101 1.304,1102 2.022,1103 1.81,1104 1.765,1105 2.001,1106 1.969,1107 1.147,1108 1.978,1109 1.716,1110 1.661,1111 1.912,1112 1.9,1113 1.121,1114 1.913,1115 1.568,1116 1.522,1117 1.729,1118 1.777,1119 0.93,1120 1.766,1121 1.446,1122 1.403,1123 1.671,1124 1.668,1125 0.922,1126 1.66,1127 1.401,1128 1.34,1129 1.626,1130 1.626,1131 0.701,1132 1.631,1133 1.093,1134 1.053,1135 1.368,1136 1.367,1137 0.552,1138 1.357,1139 4.394,1140 5.707,1141 2.398,1142 7.21,1143 4.727,1144 8.806,1145 6.843,1146 10.455,1147 1.987,1151 9.444,1152 2.016,1153 5.75,1156 -2.41,1157 1.344,1159 43.035,1160 107.273,1161 259.171,1162 343.085,1163 387.124,1164 396.733,1165 396.733,1166 116.262,1167 7.879,1168 131.6,1169 131.6,1170 23,1171 12.816,1172 4.392,1173 3.7,1174 64.249,1175 158,1176 174,1177 0.189,1178 264.739,1179 469.73,1180 637.724,1181 29682,1183 26.363,1184 0.713,1185 0.562,1186 26.363,1187 20.776,1188 17.867,1189 0.447,1190 0.315,1191 12.454,1192 17.243,1193 12.216,1194 10.121,1195 17.867,1196 12.605,1197 15.936,1198 0.29,1199 0.171,1200 15.936,1201 9.416,1202 12.868,1203 0.179,1204 0.093,1205 12.868,1206 6.702,1207 10.97,1208 0.114,1209 0.05,1210 10.97,1211 4.836,1212 8.995,1213 0.076,1214 0.028,1215 8.995,1216 3.349,1217 0.293,1218 111.899,1219 0.195,1220 33.309,1221 0.533,1222 190,1223 577.736,1224 209.647,1225 552.769,1226 732.06,1227 512,1228 222,1229 516.66,1230 240.822,1231 519.154,1232 758.14,1233 490,1234 5.854}
{0 CHEMBL171051,1 1.538,2 13.026,3 3.417,4 11.678,5 141.642,6 7.204,7 0.39,8 4.355,9 4.478,10 3.873,11 3.875,12 5.462,13 3.852,14 4.912,15 5.085,16 4.235,17 4.284,18 6.027,19 4.227,20 5.25,21 5.471,22 4.309,23 4.442,24 6.276,25 4.361,26 5.33,27 5.558,28 4.365,29 4.452,30 6.413,31 4.38,32 5.355,33 5.568,34 4.464,35 4.442,36 6.71,37 4.39,38 5.392,39 5.616,40 4.411,41 4.478,42 6.611,43 4.416,44 5.412,45 5.634,46 4.415,47 4.525,48 6.557,49 4.453,50 5.442,51 5.66,52 4.413,53 4.553,54 6.636,55 4.469,56 0.07,57 1.036,58 15.276,59 6.642,60 16.307,61 8.828,62 0.384,63 1.69,64 28.643,65 11.195,66 61.874,67 15.684,68 0.669,69 2.139,70 43.6,71 14.767,72 103.855,73 20.874,74 0.69,75 2.222,76 48.112,77 15.429,78 111.694,79 21.964,80 1.253,81 2.228,82 49.941,83 15.264,84 230.119,85 21.572,86 1.063,87 2.299,88 52.23,89 15.843,90 198.929,91 22.2,92 0.869,93 2.335,94 52.784,95 17.018,96 154.874,97 23.489,98 1.009,99 2.369,100 54.497,101 18.226,102 190.708,103 24.764,104 46,105 56,106 0.239,107 0.573,108 0.778,109 0.879,110 0.9,111 0.9,112 3.668,113 0.956,114 -2.87,115 -2.88,116 -2.79,117 40.3,118 1,119 6,122 1,124 3,132 9,133 3,138 1,139 1,141 4,148 1,149 1,150 16,151 1,152 1,153 3,156 3,158 7,161 16,165 1,166 5,167 1,169 3,171 7,174 11,177 1,178 7,179 1,181 1,183 5,184 1,185 5,188 4,189 10,190 1,191 4,192 2,193 5,195 5,198 1,199 13,202 2,203 1,204 5,205 1,206 6,207 2,210 13,213 1,214 1,215 6,217 10,218 2,220 1,221 10,222 1,223 3,225 7,227 14,228 4,230 1,231 12,234 1,236 9,239 15,240 4,243 3134,244 25.576,245 25.576,246 25.576,247 25.576,248 25.576,249 23.071,250 22.393,251 15.484,252 25.766,253 20.253,254 20.253,255 20.253,256 20.253,257 20.253,258 16.428,259 24.538,260 7.366,261 20.535,262 4.631,263 2.478,264 1.155,265 0.505,266 0.372,267 0.372,268 4.359,272 1,273 1057,274 4.796,275 99.488,276 408.041,278 184.988,282 1.82,283 56.637,285 0.75,286 0.5,287 0.67,288 0.9,289 0.5,290 0.67,291 0.5,292 0.64,293 83,294 495,295 4.529,296 3.965,297 6.75,298 4.147,299 3.182,300 4.475,301 2.341,302 10.977,303 3.069,304 4.296,305 3.71,306 6.533,307 4.059,308 3.072,309 3.481,310 2.026,311 10.301,312 3.031,313 3.939,314 3.589,315 6.029,316 3.714,317 2.725,318 3.42,319 1.978,320 8.557,321 2.687,322 3.867,323 3.543,324 5.556,325 3.572,326 2.576,327 3.061,328 1.924,329 7.594,330 2.565,331 3.633,332 3.076,333 5.318,334 3.308,335 2.296,336 2.886,337 0.634,338 6.665,339 2.31,340 3.501,341 2.832,342 5.098,343 3.19,344 2.199,345 2.653,346 0.329,347 6.102,348 2.162,349 3.287,350 2.504,351 5.045,352 2.951,353 1.954,354 2.54,355 0.153,356 5.789,357 1.938,358 3.193,359 2.226,360 4.721,361 2.906,362 1.923,363 2.318,364 0.044,365 4.942,366 1.877,367 3.046,368 2.142,369 4.604,370 2.75,371 1.748,372 2.282,374 4.846,375 1.741,376 2.966,377 2.088,378 4.148,379 2.518,380 1.546,381 1.983,383 3.701,384 1.501,385 2.811,386 1.546,387 3.91,388 2.412,389 1.413,390 1.896,392 3.051,393 1.41,394 2.626,395 1.517,396 3.607,397 2.398,398 1.404,399 1.679,401 2.927,402 1.389,403 2.535,404 1.418,405 3.58,406 2.141,407 1.149,408 1.5,410 2.741,411 1.138,412 2.5,413 1.258,414 3.374,415 2,416 1,417 1.485,419 2.136,420 1,421 2.172,422 1.239,423 3.247,424 1.895,425 0.871,426 1.034,428 2.044,429 0.88,430 17.767,431 0.468,432 0.907,433 0.024,434 44,435 1.158,436 20,437 0.526,438 24,439 0.632,440 40.097,441 1.055,442 42.233,443 0.587,444 40.172,445 1.057,446 8.672,447 0.228,448 9.679,449 0.255,450 0.122,452 0.332,454 0.73,455 1.309,456 0.832,457 1.101,458 0.591,459 0.995,460 0.513,461 1.29,462 0.895,463 1.167,464 0.466,465 1.105,466 0.965,467 1.019,468 1.024,469 0.998,470 0.959,471 1.013,472 1.104,473 1.089,474 0.988,475 1.012,476 1.119,477 0.979,478 1.04,479 1.058,480 0.967,481 0.996,482 1.114,483 0.97,484 1.309,485 0.949,486 1.06,487 0.91,488 1.285,489 0.928,490 1.31,491 0.962,492 1.058,493 0.958,494 1.351,495 0.96,496 1.277,497 0.964,498 1.087,499 1.003,500 1.368,501 1.018,502 7.5,503 0.296,504 3.556,505 2.979,506 2.253,507 1.507,508 1.137,509 0.846,510 0.634,511 0.425,512 21386,513 56881,514 2.038,515 47.2,516 7,517 14,518 1,520 4,521 4,522 4,524 1.795,525 1.9,526 3.636,527 1.449,530 110.77,531 1.538,532 3.691,533 5.015,534 5.665,535 5.798,536 5.798,537 3.084,538 4.88,539 5.218,540 3.813,541 2680.53,542 9.237,543 44484.3,546 444.235,547 1.433,548 5.174,549 0.183,550 0.006,551 0.063,552 0.051,553 0.038,554 0.024,555 0.018,556 0.013,557 0.01,558 0.007,559 0.414,560 0.17,561 0.75,562 1.144,563 209.542,564 -0.068,565 -0.06,566 0.021,567 0.025,568 -0.037,569 0.037,570 0.171,571 -0.127,572 -0.001,573 -0.104,574 0.108,575 -0.09,576 -0.043,577 0.034,578 -0.057,579 -0.012,580 -0.092,581 -0.034,582 -0.058,583 -0.076,584 0.006,585 -0.045,586 -0.077,587 -0.012,588 0.229,589 -0.046,590 0.058,591 -0.049,592 0.202,593 -0.031,594 -0.057,595 0.052,596 -0.033,597 0.034,598 -0.01,599 0.013,600 -0.125,601 0.025,602 -0.046,603 0.013,604 -0.102,605 0.002,606 -0.069,608 -0.076,609 -0.017,610 -0.069,611 -0.046,612 2.835,613 6.822,614 0.553,615 44.474,616 1.004,617 1.129,618 1.643,619 2.701,620 0.649,621 3.738,622 4.043,623 4.29,624 4.575,625 4.779,626 4.812,627 4.942,628 5.03,629 5.056,630 5.106,631 7.768,632 0.619,633 518.67,634 3.738,635 5.273,636 6.111,637 6.987,638 7.85,639 8.733,640 9.606,641 10.492,642 11.371,643 12.259,644 5.6,649 3,650 1,653 2,654 10,656 1,658 2,660 16,669 72,670 20,671 2,672 41,673 75,674 29,675 14,676 3,677 9,679 4,680 5,684 1,685 2,687 9,688 18,689 11,691 4,692 4,695 4,699 34,700 8,701 4,702 9,705 4,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,721 1,729 1,731 3,734 1,737 38,739 1,740 7,741 2,744 3,745 1,749 6.9,751 1,752 4,755 20,756 12.65,757 8.5,758 4.524,759 2.542,760 1.321,761 0.946,762 9.458,763 10.452,764 3.989,765 4.508,766 4.983,767 5.514,768 5.941,769 6.058,770 6.379,771 6.654,772 6.547,773 6.741,774 0.889,775 58,776 14.328,777 6.309,778 7.956,779 26.813,780 22.286,781 2.456,782 93.333,785 353.133,786 146.584,787 55.931,789 143.263,792 146.584,793 496.396,794 55.931,795 8.825,796 56.459,797 94.334,798 158.287,799 25.73,800 13.915,801 341.362,803 353.133,804 202.515,805 143.263,807 306.049,808 190.347,810 82.069,811 120.446,814 353.133,815 199.194,816 146.584,817 353.133,818 43.425,819 106.283,820 52.807,821 143.263,822 353.133,823 199.194,824 146.584,825 0.57,826 0.325,827 0.186,828 0.108,829 24,830 12,831 0.147,832 11,833 1,834 1.095,835 4.657,836 368.821,837 0.095,838 21,839 195.421,841 27.716,842 12.967,843 7.177,844 1.867,845 182.409,846 19.062,848 3.154,850 1.82,852 95.49,853 698.911,854 53,855 51.446,858 -2.392,859 72.298,860 81.268,861 0.249,862 0.598,863 0.813,864 0.918,865 0.94,866 0.94,867 5.226,868 1.923,869 6.089,870 5.789,871 4.727,872 5.196,873 3.413,874 6.889,875 4.698,876 6.402,877 1.748,878 7.638,879 4.942,880 4.29,881 4.945,882 3.071,883 7.763,884 4.251,885 7.689,886 1.546,887 9.289,888 4.846,889 6.301,890 7.281,891 4.6,892 10.889,893 6.231,894 9.006,895 1.413,896 11.001,897 3.701,898 6.686,899 7.88,900 4.861,901 12.619,902 6.598,903 10.357,904 1.404,905 12.754,906 3.051,907 8.167,908 9.72,909 5.978,910 15.26,911 8.051,912 11.732,913 1.149,914 14.537,915 2.927,916 8.944,917 10.754,918 6.505,919 17.353,920 8.803,921 13.126,922 1,923 16.341,924 2.741,925 10.209,926 12.392,927 7.45,928 19.823,929 10.041,930 3.182,931 0.871,932 18.162,933 2.136,934 11.176,935 13.656,936 8.114,937 22.073,938 10.979,939 3.072,940 10.977,941 19.997,942 2.044,943 12.355,944 15.207,945 8.984,946 24.481,947 12.13,948 2.725,949 10.301,950 21.841,951 4.475,952 13.411,953 16.589,954 9.722,955 26.8,956 13.155,957 2.576,958 8.557,959 23.695,960 3.481,961 14.558,962 18.105,963 10.561,964 29.186,965 14.273,966 2.296,967 7.594,968 25.555,969 3.42,970 15.657,971 19.546,972 11.341,973 31.536,974 15.34,975 2.199,976 6.665,977 27.422,978 3.061,979 16.794,980 21.048,981 12.17,982 33.916,983 16.448,984 1.954,985 6.102,986 29.293,987 2.886,988 17.913,989 22.517,990 12.974,991 36.28,992 17.535,993 20542,994 33677,995 27.046,996 46.716,997 61.304,998 63.339,999 62.7,1000 60.459,1001 60.469,1002 76.375,1003 18.855,1004 170.155,1005 59.688,1006 5.529,1007 5.965,1008 6.61,1009 5.216,1010 5.182,1011 7.475,1012 3.925,1013 18.355,1014 5.069,1015 20.188,1016 1.495,1017 1.545,1018 1.529,1019 1.475,1020 1.475,1021 1.863,1022 0.46,1023 4.15,1024 1.456,1025 4.131,1026 4.165,1027 4.086,1028 4.046,1029 7.475,1030 4.051,1031 3.978,1032 4.02,1033 3.905,1034 3.88,1035 7.435,1036 3.876,1037 3.855,1038 3.893,1039 3.784,1040 3.71,1041 7.426,1042 3.725,1043 3.737,1044 3.792,1045 3.632,1046 3.579,1047 7.422,1048 3.579,1049 3.565,1050 3.619,1051 3.436,1052 3.414,1053 6.351,1054 3.413,1055 3.501,1056 3.533,1057 3.408,1058 3.313,1059 4.968,1060 3.32,1061 3.424,1062 3.48,1063 3.301,1064 3.261,1065 4.753,1066 3.263,1067 3.277,1068 3.329,1069 3.191,1070 3.046,1071 4.308,1072 3.072,1073 0.11,1074 0.097,1075 0.165,1076 0.101,1077 0.078,1078 4.529,1079 0.109,1080 3.965,1081 0.057,1082 6.75,1083 0.268,1084 4.147,1085 0.075,1086 3.182,1087 4.475,1088 2.341,1089 10.977,1090 3.069,1091 1.94,1092 1.917,1093 2.072,1094 2.073,1095 1.352,1096 2.069,1097 1.936,1098 1.904,1099 2.036,1100 2.018,1101 1.304,1102 2.025,1103 1.812,1104 1.767,1105 2.003,1106 1.972,1107 1.188,1108 1.981,1109 1.718,1110 1.664,1111 1.912,1112 1.904,1113 1.121,1114 1.914,1115 1.623,1116 1.573,1117 1.793,1118 1.812,1119 0.954,1120 1.814,1121 1.446,1122 1.403,1123 1.676,1124 1.671,1125 0.93,1126 1.665,1127 1.43,1128 1.367,1129 1.67,1130 1.656,1131 0.883,1132 1.659,1133 1.193,1134 1.133,1135 1.426,1136 1.46,1137 0.553,1138 1.452,1139 4.419,1140 5.727,1141 2.398,1142 7.22,1143 4.727,1144 8.806,1145 6.823,1146 10.445,1147 1.993,1151 9.449,1152 2.172,1153 5.77,1156 -2.36,1157 1.354,1159 44.562,1160 110.77,1161 265.783,1162 361.076,1163 407.87,1164 417.48,1165 417.48,1166 120.403,1167 7.91,1168 131.6,1169 131.6,1170 23,1171 12.791,1172 4.392,1173 3.7,1174 67.08,1175 171,1176 184,1177 0.181,1178 274.332,1179 487.03,1180 661.13,1181 31957,1183 27.07,1184 0.712,1185 0.565,1186 27.07,1187 21.483,1188 18.351,1189 0.448,1190 0.319,1191 12.911,1192 17.72,1193 12.652,1194 10.478,1195 18.351,1196 13.063,1197 16.396,1198 0.293,1199 0.175,1200 16.396,1201 9.798,1202 12.966,1203 0.18,1204 0.096,1205 12.966,1206 6.924,1207 11.113,1208 0.116,1209 0.052,1210 11.113,1211 5.037,1212 9.109,1213 0.077,1214 0.03,1215 9.109,1216 3.485,1217 0.282,1218 114.798,1219 0.192,1220 34.248,1221 0.503,1222 194,1223 581.736,1224 213.647,1225 556.85,1226 735.78,1227 516,1228 225,1229 516.66,1230 243.324,1231 519.331,1232 754.88,1233 490,1234 5.143}
{0 CHEMBL171310,1 1.508,2 14.023,3 4.562,4 20.811,5 163.832,6 6.858,7 0.348,8 4.52,9 4.652,10 3.998,11 4.015,12 5.577,13 3.983,14 5.095,15 5.284,16 4.387,17 4.424,18 6.147,19 4.366,20 5.42,21 5.632,22 4.422,23 4.601,24 6.43,25 4.506,26 5.557,27 5.821,28 4.474,29 4.598,30 6.558,31 4.507,32 5.485,33 5.698,34 4.552,35 4.566,36 6.783,37 4.515,38 5.541,39 5.774,40 4.602,41 4.659,42 6.637,43 4.595,44 5.618,45 5.826,46 4.655,47 4.735,48 6.782,49 4.672,50 5.725,51 5.971,52 4.646,53 4.773,54 6.888,55 4.685,56 0.042,57 1.238,58 19.411,59 7.909,60 13.687,61 11.042,62 0.517,63 1.981,64 36.613,65 13.214,66 59.099,67 19.188,68 0.782,69 2.489,70 52.558,71 17.567,72 97.437,73 25.154,74 0.68,75 2.628,76 61.985,77 18.65,78 119.322,79 28.163,80 1.427,81 2.534,82 58.196,83 15.814,84 234.634,85 23.511,86 0.892,87 2.705,88 60.484,89 18.562,90 133.989,91 27.117,92 0.868,93 2.883,94 65.098,95 20.047,96 155.701,97 28.613,98 1.45,99 3.055,100 74.199,101 21.997,102 240.468,103 32.316,104 92,105 65,106 0.226,107 0.536,108 0.733,109 0.828,110 0.845,111 0.845,112 3.788,113 0.968,114 -2.9,115 -2.91,116 -2.81,117 38.4,118 5,119 3,120 1,122 2,124 3,126 1,132 9,133 3,138 1,139 1,141 3,142 1,150 16,152 2,153 3,156 4,158 6,161 20,165 1,166 4,169 4,170 1,171 7,174 10,178 11,183 10,185 4,188 5,189 12,191 3,192 1,193 5,195 2,199 13,202 4,203 2,204 7,206 6,210 17,213 2,215 10,217 9,220 5,221 15,223 1,225 6,227 12,231 11,234 3,235 1,236 8,239 18,243 4253,244 27.911,245 27.911,246 27.911,247 27.911,248 27.911,249 25.458,250 26.486,251 16.486,252 28.275,253 22.775,254 22.775,255 22.775,256 22.775,257 22.775,258 18.971,259 29.234,260 7.938,261 23.331,262 4.919,263 2.858,264 1.547,265 0.912,266 0.8,267 0.8,268 4.473,272 1,273 1275,274 5.788,275 119.227,276 483.642,278 220.997,282 2.118,283 57.687,285 0.75,286 0.5,287 0.67,288 0.9,289 1,290 0.67,291 0.5,292 0.71,293 93.5,294 603,295 4.53,296 3.9,297 6.543,298 4.091,299 3.139,300 4.474,301 2.189,302 10.341,303 3.05,304 4.19,305 3.802,306 6.449,307 4.059,308 3.087,309 3.462,310 2.02,311 10.157,312 2.946,313 4.158,314 3.664,315 6.437,316 4.006,317 3.034,318 3.343,319 1.955,320 9.905,321 2.924,322 3.966,323 3.564,324 6.044,325 3.762,326 2.782,327 3.231,328 1.918,329 8.707,330 2.72,331 3.901,332 3.168,333 5.685,334 3.632,335 2.641,336 3.083,337 0.633,338 7.937,339 2.612,340 3.693,341 3.128,342 5.359,343 3.427,344 2.435,345 2.855,346 0.41,347 6.951,348 2.411,349 3.427,350 2.832,351 5.113,352 3.133,353 2.14,354 2.716,355 0.223,356 5.985,357 2.121,358 3.381,359 2.47,360 5.023,361 3.056,362 2.075,363 2.543,364 0.142,365 5.868,366 2.002,367 3.223,368 2.318,369 4.87,370 2.969,371 1.977,372 2.318,373 0.026,374 5.529,375 1.959,376 3.144,377 2.275,378 4.711,379 2.913,380 1.902,381 2.261,383 5.186,384 1.911,385 3.046,386 2.001,387 4.475,388 2.623,389 1.664,390 2.216,392 4.499,393 1.587,394 2.831,395 1.866,396 4.216,397 2.518,398 1.546,399 1.907,401 3.775,402 1.501,403 2.719,404 1.775,405 3.97,406 2.392,407 1.396,408 1.761,410 3.124,411 1.389,412 2.633,413 1.546,414 3.589,415 2.23,416 1.23,417 1.657,419 3.013,420 1.224,421 2.5,422 1.498,423 3.58,424 2.029,425 1.045,426 1.5,428 2.653,429 1.019,430 20.167,431 0.469,432 1.384,433 0.032,434 47.25,435 1.099,436 20,437 0.465,438 27.25,439 0.634,440 52.662,441 1.225,442 48.833,443 0.568,444 45.406,445 1.056,446 9.077,447 0.211,448 11.297,449 0.263,450 0.19,451 0.025,452 0.317,454 0.736,455 1.419,456 0.875,457 1.205,458 0.575,459 1.074,460 0.574,461 1.203,462 0.847,463 1.088,464 0.479,465 1.018,466 1.149,467 1.116,468 1.177,469 1.138,470 1.008,471 1.162,472 1.121,473 1.025,474 0.864,475 0.902,476 1.189,477 0.846,478 1.455,479 1.035,480 1.148,481 0.935,482 1.543,483 0.975,484 1.213,485 0.966,486 0.946,487 0.92,488 1.305,489 0.889,490 1.527,491 1.163,492 1.142,493 1.105,494 1.639,495 1.068,496 1.288,497 0.877,498 1.01,499 0.856,500 1.314,501 0.88,502 11.5,503 0.646,504 4,505 3.667,506 2.102,507 1.754,508 1.454,509 1.104,510 0.962,511 0.716,512 29413,513 72092,514 1.987,515 50,516 7,517 16,518 1,520 4,522 15,524 1.825,525 1.823,526 3.699,527 1.372,530 129.645,531 1.508,532 3.569,533 4.88,534 5.515,535 5.626,536 5.626,537 3.179,538 5.083,539 5.398,540 3.93,541 3548.83,542 9.6,543 64790.8,546 552.659,547 1.634,548 5.33,549 0.25,550 0.009,551 0.062,552 0.058,553 0.031,554 0.025,555 0.019,556 0.014,557 0.012,558 0.009,559 0.49,560 0.17,561 0.75,562 1.263,563 246.357,564 -0.043,565 -0.118,566 0.037,567 -0.031,568 -0.047,569 0.01,570 0.242,571 -0.032,572 0.102,573 -0.012,574 0.126,575 0.015,576 -0.06,577 -0.04,578 -0.185,579 -0.123,580 -0.11,581 -0.172,582 -0.054,583 -0.063,584 0.144,585 0.047,586 -0.043,587 0.118,588 0.069,589 0.026,590 -0.083,591 -0.006,592 0.099,593 -0.058,594 -0.014,595 0.066,596 0.074,597 0.047,598 -0.029,599 0.071,600 -0.151,601 -0.127,602 -0.108,603 -0.118,604 -0.114,605 -0.107,606 0.013,607 0.093,608 0.026,609 0.089,610 0.055,611 0.067,612 2.393,613 6.851,614 0.488,615 51.77,616 0.999,617 1.133,618 1.669,619 2.785,620 0.637,621 3.85,622 4.19,623 4.357,624 4.635,625 4.796,626 4.868,627 4.99,628 5.112,629 5.142,630 5.226,631 8.462,632 0.601,633 589.81,634 3.85,635 5.407,636 6.229,637 7.112,638 7.953,639 8.839,640 9.689,641 10.575,642 11.432,643 12.318,644 5.8,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 86,670 20,671 2,672 46,673 89,674 33,675 14,676 3,677 9,679 4,680 5,684 5,685 1,687 6,688 18,689 15,690 2,691 4,692 4,695 4,699 43,700 9,701 4,702 10,705 5,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,728 1,731 3,734 5,737 43,740 5,741 3,742 1,744 4,745 1,746 1,749 5.8,752 4,754 1,755 23.583,756 16.45,757 9.264,758 5.194,759 2.466,760 1.308,761 0.933,762 10.915,763 10.467,764 4.078,765 4.603,766 5.023,767 5.538,768 5.939,769 6.076,770 6.409,771 6.731,772 6.643,773 6.877,774 1,775 63,776 16.187,777 7.015,778 7.847,779 30.528,780 25.151,781 2.347,782 100.917,785 459.073,786 182.239,787 73.942,789 111.58,792 182.239,793 570.653,794 73.942,795 44.126,796 68.972,797 94.334,798 114.694,799 36.73,800 20.678,801 447.302,803 459.073,804 256.181,805 111.58,807 282.506,808 288.146,810 129.883,811 126.298,814 459.073,815 185.522,816 182.239,817 459.073,818 43.78,819 141.584,820 70.818,821 111.58,822 459.073,823 185.522,824 182.239,825 0.586,826 0.309,827 0.172,828 0.093,829 28,830 15,831 0.135,832 12,833 1,834 1.095,835 4.952,836 435.285,837 0.095,838 21,839 222.574,841 32.561,842 14.415,843 9.571,844 1.847,845 168.736,846 19.31,848 3.203,850 1.9,852 70.818,853 826.834,854 58,855 53.074,858 -1.787,859 85.934,860 97.427,861 0.235,862 0.555,863 0.759,864 0.858,865 0.876,866 0.876,867 5.342,868 2.075,869 6.248,870 5.985,871 4.875,872 5.291,873 3.4,874 7.054,875 4.827,876 6.54,877 1.977,878 7.808,879 5.868,880 4.635,881 5.139,882 2.895,883 8.048,884 4.564,885 7.84,886 1.902,887 9.466,888 5.529,889 6.503,890 7.364,891 4.533,892 11.046,893 6.392,894 9.165,895 1.664,896 11.182,897 5.186,898 7.004,899 7.991,900 4.636,901 12.805,902 6.863,903 10.519,904 1.546,905 12.934,906 4.499,907 8.412,908 9.781,909 5.831,910 15.366,911 8.234,912 11.894,913 1.396,914 14.71,915 3.775,916 9.244,917 10.813,918 6.207,919 17.439,920 9.029,921 13.285,922 1.23,923 16.505,924 3.124,925 10.474,926 12.427,927 7.201,928 19.844,929 10.224,930 3.139,931 1.045,932 18.312,933 3.013,934 11.461,935 13.684,936 7.725,937 22.052,938 11.171,939 3.087,940 10.341,941 20.13,942 2.653,943 12.619,944 15.224,945 8.613,946 24.399,947 12.294,948 3.034,949 10.157,950 21.957,951 4.474,952 13.677,953 16.6,954 9.225,955 26.665,956 13.312,957 2.782,958 9.905,959 23.79,960 3.462,961 14.809,962 18.11,963 10.054,964 28.991,965 14.408,966 2.641,967 8.707,968 25.628,969 3.343,970 15.9,971 19.548,972 10.72,973 31.284,974 15.46,975 2.435,976 7.937,977 27.471,978 3.231,979 17.023,980 21.047,981 11.517,982 33.604,983 16.546,984 2.14,985 6.951,986 29.317,987 3.083,988 18.13,989 22.515,990 12.217,991 35.909,992 17.616,993 28459,994 44748,995 29.531,996 54.768,997 70.288,998 72.804,999 70.5,1000 68.679,1001 68.636,1002 84.506,1003 19.034,1004 197.531,1005 67.176,1006 5.53,1007 5.9,1008 6.345,1009 5.164,1010 5.139,1011 7.474,1012 3.892,1013 17.312,1014 5.05,1015 27.028,1016 1.528,1017 1.583,1018 1.533,1019 1.493,1020 1.492,1021 1.837,1022 0.414,1023 4.294,1024 1.46,1025 4.134,1026 4.169,1027 4.087,1028 4.049,1029 7.44,1030 4.054,1031 3.969,1032 4.013,1033 3.892,1034 3.878,1035 7.431,1036 3.873,1037 3.854,1038 3.896,1039 3.779,1040 3.704,1041 7.426,1042 3.714,1043 3.766,1044 3.81,1045 3.685,1046 3.572,1047 7.421,1048 3.586,1049 3.717,1050 3.771,1051 3.599,1052 3.554,1053 4.971,1054 3.554,1055 3.636,1056 3.693,1057 3.506,1058 3.488,1059 4.754,1060 3.487,1061 3.431,1062 3.49,1063 3.312,1064 3.264,1065 4.568,1066 3.271,1067 3.372,1068 3.43,1069 3.271,1070 3.178,1071 4.317,1072 3.191,1073 0.098,1074 0.085,1075 0.142,1076 0.089,1077 0.068,1078 4.53,1079 0.097,1080 3.9,1081 0.048,1082 6.543,1083 0.225,1084 4.091,1085 0.066,1086 3.139,1087 4.474,1088 2.189,1089 10.341,1090 3.05,1091 1.942,1092 1.919,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.04,1100 2.023,1101 1.294,1102 2.029,1103 1.81,1104 1.762,1105 2.012,1106 1.979,1107 1.237,1108 1.987,1109 1.714,1110 1.667,1111 1.947,1112 1.925,1113 1.118,1114 1.923,1115 1.693,1116 1.636,1117 1.885,1118 1.886,1119 1.051,1120 1.896,1121 1.665,1122 1.612,1123 1.847,1124 1.846,1125 1.04,1126 1.859,1127 1.432,1128 1.376,1129 1.632,1130 1.67,1131 0.829,1132 1.66,1133 1.323,1134 1.267,1135 1.525,1136 1.577,1137 0.731,1138 1.562,1139 4.533,1140 5.866,1141 2.398,1142 7.362,1143 4.727,1144 8.934,1145 6.823,1146 10.548,1147 9.182,1152 1.397,1153 8.613,1154 5.452,1156 -2.043,1157 1.524,1158 -0.757,1159 51.69,1160 129.645,1161 306.909,1162 419.652,1163 474.255,1164 483.865,1165 483.865,1166 144.566,1167 8.001,1168 132.63,1169 132.63,1170 23,1171 12.856,1172 4.392,1173 3.7,1174 81.459,1175 215,1176 242,1177 0.176,1178 319.495,1179 567.23,1180 771.329,1181 35556,1183 31.148,1184 0.724,1185 0.596,1186 31.148,1187 25.607,1188 20.374,1189 0.443,1190 0.323,1191 14.662,1192 19.627,1193 14.12,1194 11.825,1195 20.374,1196 14.846,1197 19.787,1198 0.304,1199 0.194,1200 19.787,1201 12.626,1202 13.962,1203 0.181,1204 0.094,1205 13.962,1206 7.205,1207 12.25,1208 0.12,1209 0.053,1210 12.25,1211 5.37,1212 9.255,1213 0.077,1214 0.029,1215 9.255,1216 3.484,1217 0.276,1218 127.569,1219 0.184,1220 37.808,1221 0.487,1222 222,1223 635.654,1224 246.357,1225 608.063,1226 809.66,1227 564,1228 253,1229 579.522,1230 275.398,1231 584.963,1232 845.81,1233 547,1234 7.337}
{0 CHEMBL172135,1 1.546,2 14.043,3 4.295,4 18.446,5 174.286,6 7.042,7 0.32,8 4.592,9 4.717,10 4.084,11 4.075,12 5.694,13 4.053,14 5.162,15 5.341,16 4.481,17 4.487,18 6.292,19 4.438,20 5.501,21 5.708,22 4.536,23 4.675,24 6.542,25 4.594,26 5.647,27 5.897,28 4.629,29 4.695,30 6.71,31 4.623,32 5.613,33 5.816,34 4.738,35 4.684,36 7.004,37 4.651,38 5.672,39 5.89,40 4.759,41 4.779,42 6.877,43 4.728,44 5.76,45 5.967,46 4.822,47 4.872,48 6.94,49 4.817,50 5.868,51 6.093,52 4.833,53 4.932,54 7.076,55 4.86,56 0.095,57 1.311,58 20.264,59 8.464,60 21.068,61 11.497,62 0.656,63 2.101,64 38.404,65 14.112,66 90.268,67 20.178,68 0.977,69 2.677,70 56.65,71 18.651,72 131.475,73 26.486,74 1.016,75 2.873,76 67.916,77 20.008,78 161.189,79 30.006,80 1.9,81 2.826,82 65.8,83 17.86,84 320.671,85 26.114,86 1.397,87 3.031,88 68.952,89 20.706,90 238.554,91 29.758,92 1.254,93 3.274,94 74.685,95 23.191,96 211.01,97 32.775,98 1.841,99 3.511,100 85.185,101 25.444,102 309.77,103 36.35,104 142,105 71,106 0.229,107 0.545,108 0.735,109 0.836,110 0.855,111 0.855,112 3.874,113 0.955,114 -2.56,115 -2.59,116 -2.52,117 38,118 5,119 4,120 1,122 1,124 4,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 16,151 1,152 2,153 5,156 5,158 7,161 20,165 1,166 5,167 1,169 4,170 1,171 8,174 10,177 1,178 12,179 1,181 1,183 10,184 1,185 4,188 6,189 12,190 1,191 5,192 2,193 6,195 4,198 1,199 13,202 5,203 2,204 7,205 1,206 8,207 2,210 20,213 3,214 1,215 12,217 13,218 2,220 5,221 17,222 1,223 1,225 9,227 15,228 4,230 1,231 15,234 4,235 1,236 12,237 1,239 20,240 3,243 5367,244 30.325,245 30.325,246 30.325,247 30.325,248 30.325,249 27.689,250 29.169,251 17.87,252 30.697,253 24.737,254 24.737,255 24.737,256 24.737,257 24.737,258 20.649,259 31.914,260 8.577,261 25.306,262 4.977,263 2.839,264 1.557,265 0.874,266 0.748,267 0.748,268 4.557,273 1385,274 6.164,275 130.86,276 534.916,278 242.608,282 2.003,283 76.446,285 0.5,286 0.5,287 0.5,288 0.8,289 1,290 0.33,292 0.52,293 103.5,294 660,295 4.53,296 3.969,297 6.752,298 4.153,299 3.187,300 4.474,301 2.341,302 10.987,303 3.076,304 4.301,305 3.821,306 6.542,307 4.085,308 3.137,309 3.482,310 2.189,311 10.338,312 3.041,313 4.167,314 3.709,315 6.447,316 4.058,317 3.081,318 3.424,319 2.02,320 10.157,321 2.927,322 3.997,323 3.623,324 6.128,325 3.811,326 2.827,327 3.247,328 1.955,329 8.956,330 2.775,331 3.916,332 3.547,333 5.946,334 3.633,335 2.643,336 3.127,337 1.918,338 8.3,339 2.613,340 3.794,341 3.168,342 5.556,343 3.56,344 2.561,345 2.958,346 0.633,347 7.59,348 2.553,349 3.502,350 3.128,351 5.172,352 3.197,353 2.205,354 2.718,355 0.41,356 6.108,357 2.172,358 3.427,359 2.833,360 5.092,361 3.132,362 2.14,363 2.653,364 0.223,365 6.06,366 2.119,367 3.381,368 2.534,369 5.046,370 3.056,371 2.075,372 2.543,373 0.142,374 5.891,375 2.002,376 3.224,377 2.324,378 4.875,379 2.969,380 1.977,381 2.318,382 0.026,383 5.534,384 1.959,385 3.187,386 2.275,387 4.618,388 2.951,389 1.945,390 2.285,392 4.925,393 1.938,394 3.046,395 2.201,396 4.509,397 2.649,398 1.681,399 2.23,401 4.55,402 1.615,403 2.832,404 1.868,405 4.228,406 2.518,407 1.546,408 1.917,410 3.784,411 1.501,412 2.788,413 1.783,414 4.024,415 2.408,416 1.412,417 1.801,419 3.198,420 1.405,421 2.666,422 1.546,423 3.677,424 2.247,425 1.245,426 1.711,428 3.045,429 1.24,430 21.833,431 0.465,432 1.563,433 0.033,434 51.25,435 1.09,436 21.5,437 0.457,438 29.75,439 0.633,440 60.386,441 1.285,442 53.767,443 0.584,444 53.657,445 1.142,446 9.934,447 0.211,448 12.261,449 0.261,450 0.206,451 0.023,452 0.339,454 0.752,455 1.403,456 0.857,457 1.198,458 0.616,459 1.061,460 0.51,461 1.242,462 0.818,463 1.121,464 0.439,465 1.038,466 1.089,467 1.12,468 1.148,469 1.114,470 0.962,471 1.138,472 1.044,473 1.043,474 0.871,475 0.92,476 1.099,477 0.864,478 1.25,479 1.041,480 1.078,481 0.944,482 1.316,483 0.962,484 1.174,485 0.98,486 0.988,487 0.936,488 1.223,489 0.921,490 1.295,491 1.111,492 1.064,493 1.063,494 1.368,495 1.025,496 1.291,497 0.933,498 1.072,499 0.92,500 1.322,501 0.947,502 12.5,503 0.73,504 4.667,505 3.979,506 2.893,507 2.038,508 1.86,509 1.323,510 1.197,511 0.881,512 35337,513 94575,514 1.964,515 48.9,516 7,517 15,518 1,520 5,521 2,522 15,524 1.848,525 1.79,526 3.717,527 2.045,530 142.248,531 1.546,532 3.684,533 4.966,534 5.65,535 5.776,536 5.776,537 3.167,538 5.283,539 5.527,540 3.927,541 4244.73,542 9.872,543 81470.8,546 600.168,547 1.659,548 5.451,549 0.25,550 0.009,551 0.066,552 0.056,553 0.037,554 0.024,555 0.021,556 0.014,557 0.013,558 0.009,559 0.499,560 0.17,561 0.63,562 1.352,563 274.569,564 -0.064,565 -0.098,566 0.024,567 -0.012,568 -0.056,569 0.019,570 0.246,571 -0.061,572 0.104,573 -0.029,574 0.158,575 0.001,576 -0.088,577 -0.034,578 -0.172,579 -0.097,580 -0.121,581 -0.148,582 -0.037,583 -0.057,584 0.131,585 0.034,586 -0.05,587 0.105,588 0.128,589 0.021,590 -0.03,591 -0.008,592 0.149,593 -0.041,594 -0.009,595 0.062,596 0.026,597 0.034,598 0.001,599 0.038,600 -0.106,601 -0.077,602 -0.054,603 -0.069,604 -0.097,605 -0.054,606 -0.067,607 0.057,608 -0.048,609 0.046,610 -0.039,611 0.011,612 2.894,613 7.25,614 0.447,615 57.592,616 1.005,617 1.133,618 1.333,619 1.778,620 0.635,621 3.932,622 4.277,623 4.454,624 4.745,625 4.934,626 5.011,627 5.165,628 5.278,629 5.333,630 5.394,631 8.583,632 0.605,633 647.85,634 3.932,635 5.493,636 6.319,637 7.209,638 8.058,639 8.95,640 9.812,641 10.706,642 11.576,643 12.469,644 5.4,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 92,670 21,671 2,672 50,673 95,674 35,675 14,676 3,677 9,679 4,680 5,684 5,685 2,687 8,688 19,689 16,690 2,691 5,692 5,695 5,699 45,700 11,701 5,702 12,705 5,706 0.75,707 7,710 1,712 1,713 3,715 1,719 2,720 1,721 1,728 1,729 1,731 3,734 5,737 47,739 1,740 5,741 3,742 1,744 5,745 1,746 1,749 7.6,751 1,752 5,754 1,755 26.25,756 17.4,757 10.153,758 5.503,759 2.386,760 1.292,761 0.915,762 12.237,763 10.556,764 4.159,765 4.68,766 5.087,767 5.599,768 6.005,769 6.136,770 6.469,771 6.784,772 6.734,773 6.964,774 1,775 71,776 17.797,777 7.866,778 7.988,779 32.955,780 27.173,781 2.488,782 116.917,785 470.844,786 183.578,787 73.942,789 179.408,792 183.578,793 650.252,794 73.942,795 44.126,796 69.4,797 94.334,798 183.432,799 36.73,800 20.678,801 459.073,803 470.844,804 257.52,805 179.408,807 294.278,808 355.974,810 130.312,811 127.208,814 470.844,815 253.35,816 183.578,817 470.844,818 45.118,819 141.584,820 70.818,821 179.408,822 470.844,823 253.35,824 183.578,825 0.586,826 0.31,827 0.175,828 0.098,829 30,830 17,831 0.147,832 14,833 1,834 1.095,835 5.103,836 500.175,837 0.095,838 21,839 250.311,841 36.128,842 15.92,843 10.386,844 1.746,845 236.564,846 18.801,848 3.176,850 1.726,852 113.501,853 907.772,854 63,855 66.104,858 -3.755,859 92.472,860 104.261,861 0.237,862 0.565,863 0.761,864 0.866,865 0.885,866 0.885,867 5.429,868 2.14,869 6.344,870 6.108,871 4.963,872 5.368,873 3.651,874 7.165,875 4.917,876 6.629,877 2.075,878 7.914,879 6.06,880 4.745,881 5.239,882 3.277,883 8.187,884 4.674,885 7.932,886 1.977,887 9.584,888 5.891,889 6.6,890 7.43,891 4.865,892 11.21,893 6.493,894 9.26,895 1.945,896 11.313,897 5.534,898 7.124,899 8.069,900 5.095,901 13.005,902 6.984,903 10.616,904 1.681,905 13.078,906 4.925,907 8.525,908 9.834,909 6.256,910 15.597,911 8.351,912 11.993,913 1.546,914 14.869,915 4.55,916 9.378,917 10.868,918 6.753,919 17.708,920 9.165,921 13.386,922 1.412,923 16.678,924 3.784,925 10.609,926 12.467,927 7.733,928 20.15,929 10.361,930 3.187,931 1.245,932 18.502,933 3.198,934 11.615,935 13.72,936 8.369,937 22.399,938 11.325,939 3.137,940 10.987,941 20.336,942 3.045,943 12.78,944 15.252,945 9.263,946 24.787,947 12.454,948 3.081,949 10.338,950 22.179,951 4.474,952 13.855,953 16.624,954 9.978,955 27.096,956 13.488,957 2.827,958 10.157,959 24.029,960 3.482,961 14.997,962 18.129,963 10.831,964 29.466,965 14.593,966 2.643,967 8.956,968 25.885,969 3.424,970 16.105,971 19.563,972 11.592,973 31.804,974 15.66,975 2.561,976 8.3,977 27.746,978 3.247,979 17.241,980 21.059,981 12.427,982 34.169,983 16.758,984 2.205,985 7.59,986 29.611,987 3.127,988 18.364,989 22.525,990 13.215,991 36.522,992 17.841,993 34467,994 56608,995 31.728,996 58.438,997 76.703,998 79.453,999 77.352,1000 75.025,1001 74.952,1002 91.903,1003 23.716,1004 217.295,1005 73.421,1006 5.53,1007 5.969,1008 6.554,1009 5.227,1010 5.187,1011 7.474,1012 4.044,1013 18.388,1014 5.076,1015 31.597,1016 1.534,1017 1.589,1018 1.547,1019 1.5,1020 1.499,1021 1.838,1022 0.474,1023 4.346,1024 1.468,1025 4.135,1026 4.17,1027 4.088,1028 4.049,1029 7.475,1030 4.054,1031 3.983,1032 4.025,1033 3.911,1034 3.882,1035 7.439,1036 3.879,1037 3.863,1038 3.901,1039 3.791,1040 3.724,1041 7.43,1042 3.736,1043 3.782,1044 3.825,1045 3.704,1046 3.603,1047 7.426,1048 3.613,1049 3.73,1050 3.779,1051 3.614,1052 3.565,1053 7.421,1054 3.567,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.502,1062 3.533,1063 3.409,1064 3.313,1065 4.971,1066 3.32,1067 3.431,1068 3.489,1069 3.312,1070 3.263,1071 4.754,1072 3.27,1073 0.091,1074 0.079,1075 0.135,1076 0.083,1077 0.064,1078 4.53,1079 0.089,1080 3.969,1081 0.047,1082 6.752,1083 0.22,1084 4.153,1085 0.062,1086 3.187,1087 4.474,1088 2.341,1089 10.987,1090 3.076,1091 1.942,1092 1.919,1093 2.072,1094 2.075,1095 1.35,1096 2.069,1097 1.936,1098 1.904,1099 2.04,1100 2.023,1101 1.298,1102 2.029,1103 1.822,1104 1.777,1105 2.012,1106 1.981,1107 1.237,1108 1.989,1109 1.734,1110 1.686,1111 1.947,1112 1.933,1113 1.119,1114 1.927,1115 1.707,1116 1.657,1117 1.911,1118 1.9,1119 1.118,1120 1.914,1121 1.665,1122 1.612,1123 1.848,1124 1.846,1125 1.041,1126 1.859,1127 1.446,1128 1.403,1129 1.672,1130 1.675,1131 0.93,1132 1.663,1133 1.432,1134 1.376,1135 1.628,1136 1.664,1137 0.813,1138 1.659,1139 4.615,1140 5.953,1141 2.398,1142 7.454,1143 4.727,1144 9.036,1145 6.823,1146 10.666,1147 8.93,1151 9.606,1152 0.241,1153 8.389,1154 5.448,1156 -3.963,1157 1.282,1158 -0.813,1159 55.647,1160 142.248,1161 338.974,1162 456.896,1163 519.764,1164 531.374,1165 531.374,1166 190.976,1167 8.17,1168 169.93,1169 169.93,1170 23,1171 13.001,1172 4.459,1173 3.807,1174 93.692,1175 237,1176 261,1177 0.183,1178 343.745,1179 616.77,1180 830.498,1181 42380,1183 34.302,1184 0.73,1185 0.586,1186 34.302,1187 27.54,1188 22.195,1189 0.444,1190 0.318,1191 15.701,1192 21.308,1193 15.167,1194 12.658,1195 22.195,1196 15.913,1197 21.621,1198 0.305,1199 0.189,1200 21.621,1201 13.453,1202 15.152,1203 0.178,1204 0.092,1205 15.152,1206 7.846,1207 13.317,1208 0.117,1209 0.051,1210 13.317,1211 5.82,1212 10.427,1213 0.076,1214 0.028,1215 10.427,1216 3.898,1217 0.285,1218 139.615,1219 0.178,1220 40.266,1221 0.512,1222 242,1223 741.539,1224 271.119,1225 703.838,1226 925.78,1227 650,1228 277,1229 653.541,1230 302.887,1231 655.936,1232 949.68,1233 614,1234 5.553}
{0 CHEMBL172177,1 1.546,2 14.043,3 4.295,4 18.446,5 174.286,6 7.042,7 0.32,8 4.592,9 4.717,10 4.084,11 4.075,12 5.694,13 4.053,14 5.162,15 5.341,16 4.481,17 4.487,18 6.292,19 4.438,20 5.501,21 5.708,22 4.536,23 4.675,24 6.542,25 4.594,26 5.647,27 5.897,28 4.629,29 4.695,30 6.71,31 4.623,32 5.613,33 5.816,34 4.738,35 4.684,36 7.004,37 4.651,38 5.672,39 5.89,40 4.759,41 4.779,42 6.877,43 4.728,44 5.76,45 5.967,46 4.822,47 4.872,48 6.94,49 4.817,50 5.868,51 6.093,52 4.833,53 4.932,54 7.076,55 4.86,56 0.095,57 1.311,58 20.264,59 8.464,60 21.068,61 11.497,62 0.656,63 2.101,64 38.404,65 14.112,66 90.268,67 20.178,68 0.977,69 2.677,70 56.65,71 18.651,72 131.475,73 26.486,74 1.016,75 2.873,76 67.916,77 20.008,78 161.189,79 30.006,80 1.9,81 2.826,82 65.8,83 17.86,84 320.671,85 26.114,86 1.397,87 3.031,88 68.952,89 20.706,90 238.554,91 29.758,92 1.254,93 3.274,94 74.685,95 23.191,96 211.01,97 32.775,98 1.841,99 3.511,100 85.185,101 25.444,102 309.77,103 36.35,104 142,105 71,106 0.229,107 0.545,108 0.735,109 0.836,110 0.855,111 0.855,112 3.874,113 0.955,114 -2.56,115 -2.59,116 -2.52,117 38,118 5,119 4,120 1,122 1,124 4,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 16,151 1,152 2,153 5,156 5,158 7,161 20,165 1,166 5,167 1,169 4,170 1,171 8,174 10,177 1,178 12,179 1,181 1,183 10,184 1,185 4,188 6,189 12,190 1,191 5,192 2,193 6,195 4,198 1,199 13,202 5,203 2,204 7,205 1,206 8,207 2,210 20,213 3,214 1,215 12,217 13,218 2,220 5,221 17,222 1,223 1,225 9,227 15,228 4,230 1,231 15,234 4,235 1,236 12,237 1,239 20,240 3,243 5367,244 30.325,245 30.325,246 30.325,247 30.325,248 30.325,249 27.689,250 29.169,251 17.87,252 30.697,253 24.737,254 24.737,255 24.737,256 24.737,257 24.737,258 20.649,259 31.914,260 8.577,261 25.306,262 4.977,263 2.839,264 1.557,265 0.874,266 0.748,267 0.748,268 4.557,273 1385,274 6.164,275 130.86,276 534.916,278 242.608,282 2.003,283 76.446,285 0.5,286 0.5,287 0.5,288 0.8,289 1,290 0.33,292 0.52,293 103.5,294 660,295 4.53,296 3.969,297 6.752,298 4.153,299 3.187,300 4.474,301 2.341,302 10.987,303 3.076,304 4.301,305 3.821,306 6.542,307 4.085,308 3.137,309 3.482,310 2.189,311 10.338,312 3.041,313 4.167,314 3.709,315 6.447,316 4.058,317 3.081,318 3.424,319 2.02,320 10.157,321 2.927,322 3.997,323 3.623,324 6.128,325 3.811,326 2.827,327 3.247,328 1.955,329 8.956,330 2.775,331 3.916,332 3.547,333 5.946,334 3.633,335 2.643,336 3.127,337 1.918,338 8.3,339 2.613,340 3.794,341 3.168,342 5.556,343 3.56,344 2.561,345 2.958,346 0.633,347 7.59,348 2.553,349 3.502,350 3.128,351 5.172,352 3.197,353 2.205,354 2.718,355 0.41,356 6.108,357 2.172,358 3.427,359 2.833,360 5.092,361 3.132,362 2.14,363 2.653,364 0.223,365 6.06,366 2.119,367 3.381,368 2.534,369 5.046,370 3.056,371 2.075,372 2.543,373 0.142,374 5.891,375 2.002,376 3.224,377 2.324,378 4.875,379 2.969,380 1.977,381 2.318,382 0.026,383 5.534,384 1.959,385 3.187,386 2.275,387 4.618,388 2.951,389 1.945,390 2.285,392 4.925,393 1.938,394 3.046,395 2.201,396 4.509,397 2.649,398 1.681,399 2.23,401 4.55,402 1.615,403 2.832,404 1.868,405 4.228,406 2.518,407 1.546,408 1.917,410 3.784,411 1.501,412 2.788,413 1.783,414 4.024,415 2.408,416 1.412,417 1.801,419 3.198,420 1.405,421 2.666,422 1.546,423 3.677,424 2.247,425 1.245,426 1.711,428 3.045,429 1.24,430 21.833,431 0.465,432 1.563,433 0.033,434 51.25,435 1.09,436 21.5,437 0.457,438 29.75,439 0.633,440 60.386,441 1.285,442 53.767,443 0.584,444 53.657,445 1.142,446 9.934,447 0.211,448 12.261,449 0.261,450 0.206,451 0.023,452 0.339,454 0.752,455 1.403,456 0.857,457 1.198,458 0.616,459 1.061,460 0.51,461 1.242,462 0.818,463 1.121,464 0.439,465 1.038,466 1.089,467 1.12,468 1.148,469 1.114,470 0.962,471 1.138,472 1.044,473 1.043,474 0.871,475 0.92,476 1.099,477 0.864,478 1.25,479 1.041,480 1.078,481 0.944,482 1.316,483 0.962,484 1.174,485 0.98,486 0.988,487 0.936,488 1.223,489 0.921,490 1.295,491 1.111,492 1.064,493 1.063,494 1.368,495 1.025,496 1.291,497 0.933,498 1.072,499 0.92,500 1.322,501 0.947,502 12.5,503 0.73,504 4.667,505 3.979,506 2.893,507 2.038,508 1.86,509 1.323,510 1.197,511 0.881,512 35337,513 94575,514 1.964,515 48.9,516 7,517 15,518 1,520 5,521 2,522 15,524 1.848,525 1.79,526 3.717,527 2.045,530 142.248,531 1.546,532 3.684,533 4.966,534 5.65,535 5.776,536 5.776,537 3.167,538 5.283,539 5.527,540 3.927,541 4244.73,542 9.872,543 81470.8,546 600.168,547 1.659,548 5.451,549 0.25,550 0.009,551 0.066,552 0.056,553 0.037,554 0.024,555 0.021,556 0.014,557 0.013,558 0.009,559 0.499,560 0.17,561 0.63,562 1.352,563 274.569,564 -0.064,565 -0.098,566 0.024,567 -0.012,568 -0.056,569 0.019,570 0.246,571 -0.061,572 0.104,573 -0.029,574 0.158,575 0.001,576 -0.088,577 -0.034,578 -0.172,579 -0.097,580 -0.121,581 -0.148,582 -0.037,583 -0.057,584 0.131,585 0.034,586 -0.05,587 0.105,588 0.128,589 0.021,590 -0.03,591 -0.008,592 0.149,593 -0.041,594 -0.009,595 0.062,596 0.026,597 0.034,598 0.001,599 0.038,600 -0.106,601 -0.077,602 -0.054,603 -0.069,604 -0.097,605 -0.054,606 -0.067,607 0.057,608 -0.048,609 0.046,610 -0.039,611 0.011,612 2.894,613 7.25,614 0.447,615 57.592,616 1.005,617 1.133,618 1.333,619 1.778,620 0.635,621 3.932,622 4.277,623 4.454,624 4.745,625 4.934,626 5.011,627 5.165,628 5.278,629 5.333,630 5.394,631 8.583,632 0.605,633 647.85,634 3.932,635 5.493,636 6.319,637 7.209,638 8.058,639 8.95,640 9.812,641 10.706,642 11.576,643 12.469,644 5.4,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 92,670 21,671 2,672 50,673 95,674 35,675 14,676 3,677 9,679 4,680 5,684 5,685 2,687 8,688 19,689 16,690 2,691 5,692 5,695 5,699 45,700 11,701 5,702 12,705 5,706 0.75,707 7,710 1,712 1,713 3,715 1,719 2,720 1,721 1,728 1,729 1,731 3,734 5,737 47,739 1,740 5,741 3,742 1,744 5,745 1,746 1,749 7.6,751 1,752 5,754 1,755 26.25,756 17.4,757 10.153,758 5.503,759 2.386,760 1.292,761 0.915,762 12.237,763 10.556,764 4.159,765 4.68,766 5.087,767 5.599,768 6.005,769 6.136,770 6.469,771 6.784,772 6.734,773 6.964,774 1,775 71,776 17.797,777 7.866,778 7.988,779 32.955,780 27.173,781 2.488,782 116.917,785 470.844,786 183.578,787 73.942,789 179.408,792 183.578,793 650.252,794 73.942,795 44.126,796 69.4,797 94.334,798 183.432,799 36.73,800 20.678,801 459.073,803 470.844,804 257.52,805 179.408,807 294.278,808 355.974,810 130.312,811 127.208,814 470.844,815 253.35,816 183.578,817 470.844,818 45.118,819 141.584,820 70.818,821 179.408,822 470.844,823 253.35,824 183.578,825 0.586,826 0.31,827 0.175,828 0.098,829 30,830 17,831 0.147,832 14,833 1,834 1.095,835 5.103,836 500.175,837 0.095,838 21,839 250.311,841 36.128,842 15.92,843 10.386,844 1.746,845 236.564,846 18.801,848 3.176,850 1.726,852 113.501,853 907.772,854 63,855 66.104,858 -3.755,859 92.472,860 104.261,861 0.237,862 0.565,863 0.761,864 0.866,865 0.885,866 0.885,867 5.429,868 2.14,869 6.344,870 6.108,871 4.963,872 5.368,873 3.651,874 7.165,875 4.917,876 6.629,877 2.075,878 7.914,879 6.06,880 4.745,881 5.239,882 3.277,883 8.187,884 4.674,885 7.932,886 1.977,887 9.584,888 5.891,889 6.6,890 7.43,891 4.865,892 11.21,893 6.493,894 9.26,895 1.945,896 11.313,897 5.534,898 7.124,899 8.069,900 5.095,901 13.005,902 6.984,903 10.616,904 1.681,905 13.078,906 4.925,907 8.525,908 9.834,909 6.256,910 15.597,911 8.351,912 11.993,913 1.546,914 14.869,915 4.55,916 9.378,917 10.868,918 6.753,919 17.708,920 9.165,921 13.386,922 1.412,923 16.678,924 3.784,925 10.609,926 12.467,927 7.733,928 20.15,929 10.361,930 3.187,931 1.245,932 18.502,933 3.198,934 11.615,935 13.72,936 8.369,937 22.399,938 11.325,939 3.137,940 10.987,941 20.336,942 3.045,943 12.78,944 15.252,945 9.263,946 24.787,947 12.454,948 3.081,949 10.338,950 22.179,951 4.474,952 13.855,953 16.624,954 9.978,955 27.096,956 13.488,957 2.827,958 10.157,959 24.029,960 3.482,961 14.997,962 18.129,963 10.831,964 29.466,965 14.593,966 2.643,967 8.956,968 25.885,969 3.424,970 16.105,971 19.563,972 11.592,973 31.804,974 15.66,975 2.561,976 8.3,977 27.746,978 3.247,979 17.241,980 21.059,981 12.427,982 34.169,983 16.758,984 2.205,985 7.59,986 29.611,987 3.127,988 18.364,989 22.525,990 13.215,991 36.522,992 17.841,993 34467,994 56608,995 31.728,996 58.438,997 76.703,998 79.453,999 77.352,1000 75.025,1001 74.952,1002 91.903,1003 23.716,1004 217.295,1005 73.421,1006 5.53,1007 5.969,1008 6.554,1009 5.227,1010 5.187,1011 7.474,1012 4.044,1013 18.388,1014 5.076,1015 31.597,1016 1.534,1017 1.589,1018 1.547,1019 1.5,1020 1.499,1021 1.838,1022 0.474,1023 4.346,1024 1.468,1025 4.135,1026 4.17,1027 4.088,1028 4.049,1029 7.475,1030 4.054,1031 3.983,1032 4.025,1033 3.911,1034 3.882,1035 7.439,1036 3.879,1037 3.863,1038 3.901,1039 3.791,1040 3.724,1041 7.43,1042 3.736,1043 3.782,1044 3.825,1045 3.704,1046 3.603,1047 7.426,1048 3.613,1049 3.73,1050 3.779,1051 3.614,1052 3.565,1053 7.421,1054 3.567,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.502,1062 3.533,1063 3.409,1064 3.313,1065 4.971,1066 3.32,1067 3.431,1068 3.489,1069 3.312,1070 3.263,1071 4.754,1072 3.27,1073 0.091,1074 0.079,1075 0.135,1076 0.083,1077 0.064,1078 4.53,1079 0.089,1080 3.969,1081 0.047,1082 6.752,1083 0.22,1084 4.153,1085 0.062,1086 3.187,1087 4.474,1088 2.341,1089 10.987,1090 3.076,1091 1.942,1092 1.919,1093 2.072,1094 2.075,1095 1.35,1096 2.069,1097 1.936,1098 1.904,1099 2.04,1100 2.023,1101 1.298,1102 2.029,1103 1.822,1104 1.777,1105 2.012,1106 1.981,1107 1.237,1108 1.989,1109 1.734,1110 1.686,1111 1.947,1112 1.933,1113 1.119,1114 1.927,1115 1.707,1116 1.657,1117 1.911,1118 1.9,1119 1.118,1120 1.914,1121 1.665,1122 1.612,1123 1.848,1124 1.846,1125 1.041,1126 1.859,1127 1.446,1128 1.403,1129 1.672,1130 1.675,1131 0.93,1132 1.663,1133 1.432,1134 1.376,1135 1.628,1136 1.664,1137 0.813,1138 1.659,1139 4.615,1140 5.953,1141 2.398,1142 7.454,1143 4.727,1144 9.036,1145 6.823,1146 10.666,1147 8.93,1151 9.606,1152 0.241,1153 8.389,1154 5.448,1156 -3.963,1157 1.282,1158 -0.813,1159 55.647,1160 142.248,1161 338.974,1162 456.896,1163 519.764,1164 531.374,1165 531.374,1166 190.976,1167 8.17,1168 169.93,1169 169.93,1170 23,1171 13.001,1172 4.459,1173 3.807,1174 93.692,1175 237,1176 261,1177 0.183,1178 343.745,1179 616.77,1180 830.498,1181 42380,1183 34.302,1184 0.73,1185 0.586,1186 34.302,1187 27.54,1188 22.195,1189 0.444,1190 0.318,1191 15.701,1192 21.308,1193 15.167,1194 12.658,1195 22.195,1196 15.913,1197 21.621,1198 0.305,1199 0.189,1200 21.621,1201 13.453,1202 15.152,1203 0.178,1204 0.092,1205 15.152,1206 7.846,1207 13.317,1208 0.117,1209 0.051,1210 13.317,1211 5.82,1212 10.427,1213 0.076,1214 0.028,1215 10.427,1216 3.898,1217 0.285,1218 139.615,1219 0.178,1220 40.266,1221 0.512,1222 242,1223 741.539,1224 271.119,1225 703.838,1226 925.78,1227 650,1228 277,1229 653.541,1230 302.887,1231 655.936,1232 949.68,1233 614,1234 5.201}
{0 CHEMBL172354,1 1.523,2 13.744,3 3.669,4 13.462,5 146.191,6 7.103,7 0.381,8 4.391,9 4.516,10 3.897,11 3.911,12 5.489,13 3.884,14 4.953,15 5.129,16 4.266,17 4.326,18 6.052,19 4.265,20 5.294,21 5.513,22 4.333,23 4.494,24 6.309,25 4.404,26 5.405,27 5.645,28 4.382,29 4.506,30 6.45,31 4.422,32 5.397,33 5.614,34 4.478,35 4.493,36 6.719,37 4.432,38 5.454,39 5.682,40 4.449,41 4.526,42 6.67,43 4.457,44 5.455,45 5.675,46 4.411,47 4.568,48 6.588,49 4.483,50 5.508,51 5.746,52 4.417,53 4.586,54 6.649,55 4.486,56 0.061,57 1.075,58 16.187,59 6.983,60 16.119,61 9.369,62 0.379,63 1.757,64 30.303,65 11.788,66 63.498,67 16.624,68 0.636,69 2.243,70 45.534,71 15.659,72 102.058,73 22.21,74 0.74,75 2.359,76 52.536,77 16.644,78 122.639,79 24.032,80 1.156,81 2.338,82 52.036,83 15.95,84 221.068,85 22.899,86 1.155,87 2.413,88 56.036,89 17.004,90 209.955,91 23.923,92 0.872,93 2.422,94 55.156,95 18.046,96 164.661,97 24.908,98 0.867,99 2.491,100 58.687,101 19.657,102 182.466,103 27.511,104 58,105 58,106 0.235,107 0.562,108 0.761,109 0.863,110 0.882,111 0.882,112 3.693,113 0.958,114 -3.07,115 -3.06,116 -2.95,117 40,118 2,119 5,120 1,122 1,124 3,132 9,133 3,138 1,139 1,141 4,148 1,149 1,150 17,151 1,152 1,153 3,156 3,158 7,161 18,165 1,166 5,167 1,169 3,171 7,174 11,177 1,178 7,179 1,181 1,183 7,184 1,185 6,188 4,189 12,190 1,191 3,192 1,193 4,195 7,198 1,199 11,202 3,203 2,204 4,205 1,206 8,207 2,210 13,213 1,214 1,215 6,217 11,218 2,220 1,221 12,222 1,223 1,225 9,227 13,228 5,230 1,231 10,234 3,236 9,239 15,240 3,243 3398,244 25.861,245 25.861,246 25.861,247 25.861,248 25.861,249 23.355,250 22.1,251 15.457,252 26.05,253 20.77,254 20.77,255 20.77,256 20.77,257 20.77,258 16.919,259 21.552,260 7.406,261 21.05,262 4.706,263 2.578,264 1.285,265 0.628,266 0.5,267 0.5,268 4.383,272 1,273 1145,274 5,275 105.325,276 426.107,278 195.382,282 2.071,283 56.767,285 0.75,286 0.5,287 0.67,288 0.9,289 1,290 0.67,291 0.5,292 0.71,293 85,294 536,295 4.524,296 3.965,297 6.751,298 4.149,299 3.183,300 4.473,301 2.341,302 10.984,303 3.069,304 4.298,305 3.703,306 6.526,307 4.049,308 3.062,309 3.481,310 2.017,311 10.265,312 3.022,313 3.943,314 3.565,315 6.044,316 3.74,317 2.751,318 3.421,319 1.938,320 8.632,321 2.714,322 3.873,323 3.531,324 5.557,325 3.576,326 2.58,327 3.054,328 1.893,329 7.597,330 2.568,331 3.604,332 3.127,333 5.25,334 3.306,335 2.291,336 2.823,337 0.63,338 6.392,339 2.314,340 3.501,341 2.833,342 5.132,343 3.195,344 2.203,345 2.684,346 0.209,347 6.101,348 2.17,349 3.381,350 2.527,351 5.046,352 3.131,353 2.138,354 2.648,355 0.132,356 5.986,357 2.119,358 3.218,359 2.292,360 4.874,361 2.969,362 1.977,363 2.318,365 5.503,366 1.959,367 3.187,368 2.201,369 4.618,370 2.951,371 1.945,372 2.284,374 4.925,375 1.938,376 3.046,377 2.19,378 4.489,379 2.61,380 1.633,381 2.223,383 4.416,384 1.581,385 2.825,386 1.795,387 4.182,388 2.518,389 1.546,390 1.916,392 3.754,393 1.501,394 2.767,395 1.546,396 3.774,397 2.408,398 1.412,399 1.761,401 3.047,402 1.405,403 2.652,404 1.517,405 3.6,406 2.194,407 1.198,408 1.71,410 2.81,411 1.192,412 2.5,413 1.3,414 3.583,415 2,416 1,417 1.5,419 2.32,420 1,421 2.237,422 1.258,423 3.249,424 1.907,425 0.893,426 1.092,428 2.136,429 0.893,430 18.267,431 0.468,432 1.052,433 0.027,434 44.5,435 1.141,436 20,437 0.513,438 24.5,439 0.628,440 43.017,441 1.103,442 43.533,443 0.58,444 40.618,445 1.041,446 8.672,447 0.222,448 10.035,449 0.257,450 0.146,452 0.35,454 0.728,455 1.315,456 0.846,457 1.114,458 0.597,459 1.011,460 0.509,461 1.269,462 0.884,463 1.147,464 0.46,465 1.086,466 0.958,467 1.074,468 1.067,469 1.063,470 0.961,471 1.076,472 1.105,473 1.03,474 0.976,475 0.957,476 1.125,477 0.941,478 1.027,479 1.098,480 0.988,481 1.028,482 1.032,483 0.998,484 1.32,485 0.905,486 1.052,487 0.894,488 1.34,489 0.917,490 1.358,491 0.99,492 1.126,493 1.009,494 1.433,495 1.026,496 1.134,497 1.005,498 0.986,499 1.007,500 1.187,501 0.983,502 8.5,503 0.366,504 3.778,505 2.979,506 2.378,507 1.514,508 1.267,509 0.854,510 0.709,511 0.44,512 23529,513 61452,514 2.022,515 48,516 9,517 14,518 1,520 4,521 4,522 4,524 1.8,525 1.872,526 3.691,527 1.427,530 114.228,531 1.523,532 3.651,533 4.943,534 5.601,535 5.729,536 5.729,537 3.206,538 5.029,539 5.255,540 3.9,541 2890.14,542 9.303,543 49183.2,546 467.161,547 1.479,548 5.204,549 0.202,550 0.007,551 0.065,552 0.05,553 0.039,554 0.023,555 0.02,556 0.014,557 0.011,558 0.008,559 0.44,560 0.17,561 0.75,562 1.02,563 217.677,564 -0.064,565 -0.059,566 0.022,567 0.023,568 -0.041,569 0.036,570 0.175,571 -0.104,572 0.02,573 -0.077,574 0.115,575 -0.062,576 -0.044,577 -0.01,578 -0.102,579 -0.066,580 -0.101,581 -0.092,582 -0.059,583 -0.03,584 0.025,585 0.003,586 -0.083,587 0.026,588 0.196,589 -0.073,590 0.031,591 -0.075,592 0.211,593 -0.052,594 -0.02,595 0.088,596 -0.017,597 0.048,598 -0.004,599 0.022,600 -0.144,601 -0.003,602 -0.114,603 -0.03,604 -0.131,605 -0.061,606 -0.028,607 -0.066,608 0.02,609 -0.022,610 -0.007,611 0.002,612 2.836,613 6.846,614 0.538,615 47.567,616 1.002,617 1.129,618 1.836,619 3.371,620 0.646,621 3.761,622 4.078,623 4.304,624 4.585,625 4.787,626 4.812,627 4.92,628 5.024,629 5.017,630 5.069,631 8.139,632 0.615,633 532.7,634 3.761,635 5.303,636 6.138,637 7.015,638 7.873,639 8.755,640 9.624,641 10.508,642 11.383,643 12.269,644 5.3,649 3,650 1,653 2,654 10,656 1,658 2,660 16,669 75,670 20,671 2,672 42,673 78,674 30,675 14,676 3,677 9,679 4,680 5,684 2,685 2,687 8,688 18,689 12,690 1,691 4,692 4,695 4,699 36,700 8,701 4,702 9,705 4,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,721 1,729 1,731 3,734 2,737 39,739 1,740 6,741 2,744 4,745 1,749 6.7,751 1,752 4,755 20.833,756 13.483,757 8.583,758 4.607,759 2.521,760 1.318,761 0.939,762 9.683,763 10.463,764 4.007,765 4.53,766 4.99,767 5.506,768 5.929,769 6.026,770 6.321,771 6.617,772 6.436,773 6.642,774 1,775 59,776 14.703,777 6.466,778 7.94,779 27.57,780 22.974,781 2.44,782 95.167,785 376.675,786 152.874,787 55.931,789 143.263,792 152.874,793 519.938,794 55.931,795 17.65,796 53.924,797 94.334,798 158.287,799 25.73,800 13.915,801 364.904,803 376.675,804 208.806,805 143.263,807 329.591,808 190.347,810 88.36,811 120.446,814 376.675,815 199.194,816 152.874,817 376.675,818 40.89,819 115.108,820 52.807,821 143.263,822 376.675,823 199.194,824 152.874,825 0.578,826 0.32,827 0.182,828 0.106,829 25,830 13,831 0.141,832 11,833 1,834 1.095,835 4.742,836 379.478,837 0.095,838 21,839 198.131,841 28.69,842 13.163,843 7.632,844 2.055,845 182.409,846 19.355,848 3.208,850 2.015,852 95.49,853 728.744,854 54,855 51.437,858 -2.357,859 75.181,860 84.683,861 0.245,862 0.586,863 0.794,864 0.899,865 0.92,866 0.92,867 5.252,868 1.977,869 6.125,870 5.986,871 4.762,872 5.218,873 3.382,874 6.921,875 4.734,876 6.433,877 1.945,878 7.674,879 5.503,880 4.369,881 4.987,882 3.071,883 7.794,884 4.333,885 7.72,886 1.633,887 9.322,888 4.925,889 6.337,890 7.294,891 4.56,892 10.904,893 6.27,894 9.035,895 1.546,896 11.031,897 4.416,898 6.735,899 7.895,900 4.838,901 12.627,902 6.652,903 10.383,904 1.412,905 12.779,906 3.754,907 8.196,908 9.725,909 5.931,910 15.264,911 8.084,912 11.754,913 1.198,914 14.557,915 3.047,916 8.972,917 10.757,918 6.47,919 17.353,920 8.835,921 13.145,922 1,923 16.357,924 2.81,925 10.23,926 12.392,927 7.403,928 19.822,929 10.064,930 3.183,931 0.893,932 18.174,933 2.32,934 11.193,935 13.654,936 8.075,937 22.071,938 10.997,939 3.062,940 10.984,941 20.006,942 2.136,943 12.367,944 15.204,945 8.939,946 24.478,947 12.143,948 2.751,949 10.265,950 21.848,951 4.473,952 13.42,953 16.585,954 9.683,955 26.796,956 13.164,957 2.58,958 8.632,959 23.699,960 3.481,961 14.564,962 18.1,963 10.52,964 29.182,965 14.278,966 2.291,967 7.597,968 25.558,969 3.421,970 15.661,971 19.54,972 11.305,973 31.532,974 15.342,975 2.203,976 6.392,977 27.424,978 3.054,979 16.796,980 21.042,981 12.134,982 33.911,983 16.447,984 2.138,985 6.101,986 29.294,987 2.823,988 17.913,989 22.511,990 12.942,991 36.276,992 17.532,993 22557,994 36631,995 27.452,996 48.478,997 63.712,998 65.684,999 64.528,1000 62.522,1001 62.508,1002 78.412,1003 18.321,1004 176.698,1005 61.724,1006 5.524,1007 5.965,1008 6.553,1009 5.217,1010 5.183,1011 7.473,1012 3.925,1013 18.374,1014 5.069,1015 22.184,1016 1.517,1017 1.564,1018 1.536,1019 1.489,1020 1.488,1021 1.867,1022 0.436,1023 4.207,1024 1.47,1025 4.131,1026 4.166,1027 4.084,1028 4.047,1029 7.475,1030 4.052,1031 3.981,1032 4.023,1033 3.908,1034 3.881,1035 7.435,1036 3.877,1037 3.86,1038 3.898,1039 3.787,1040 3.721,1041 7.426,1042 3.733,1043 3.755,1044 3.807,1045 3.654,1046 3.598,1047 7.422,1048 3.6,1049 3.61,1050 3.662,1051 3.48,1052 3.47,1053 6.351,1054 3.464,1055 3.502,1056 3.533,1057 3.409,1058 3.313,1059 4.97,1060 3.32,1061 3.429,1062 3.486,1063 3.312,1064 3.26,1065 4.753,1066 3.268,1067 3.328,1068 3.381,1069 3.234,1070 3.13,1071 4.314,1072 3.144,1073 0.108,1074 0.094,1075 0.161,1076 0.099,1077 0.076,1078 4.524,1079 0.107,1080 3.965,1081 0.056,1082 6.751,1083 0.262,1084 4.149,1085 0.073,1086 3.183,1087 4.473,1088 2.341,1089 10.984,1090 3.069,1091 1.942,1092 1.918,1093 2.072,1094 2.074,1095 1.35,1096 2.069,1097 1.936,1098 1.904,1099 2.042,1100 2.019,1101 1.298,1102 2.028,1103 1.821,1104 1.776,1105 2.012,1106 1.977,1107 1.239,1108 1.988,1109 1.73,1110 1.679,1111 1.911,1112 1.912,1113 1.119,1114 1.918,1115 1.667,1116 1.615,1117 1.862,1118 1.843,1119 1.045,1120 1.855,1121 1.446,1122 1.403,1123 1.672,1124 1.673,1125 0.93,1126 1.661,1127 1.425,1128 1.368,1129 1.628,1130 1.662,1131 0.813,1132 1.657,1133 1.271,1134 1.216,1135 1.5,1136 1.515,1137 0.589,1138 1.513,1139 4.443,1140 5.759,1141 2.398,1142 7.252,1143 4.727,1144 8.834,1145 6.823,1146 10.467,1147 3.905,1151 9.459,1152 1.237,1153 5.779,1156 -2.282,1157 1.355,1159 46.088,1160 114.228,1161 273.796,1162 370.758,1163 420.042,1164 429.652,1165 429.652,1166 126.715,1167 7.941,1168 131.6,1169 131.6,1170 23,1171 12.803,1172 4.392,1173 3.7,1174 69.994,1175 184,1176 204,1177 0.175,1178 283.924,1179 504.33,1180 684.535,1181 34234,1183 27.941,1184 0.716,1185 0.573,1186 27.941,1187 22.353,1188 18.706,1189 0.445,1190 0.319,1191 13.267,1192 18.076,1193 12.932,1194 10.729,1195 18.706,1196 13.418,1197 17.225,1198 0.297,1199 0.183,1200 17.225,1201 10.609,1202 13.137,1203 0.18,1204 0.097,1205 13.137,1206 7.055,1207 11.251,1208 0.116,1209 0.054,1210 11.251,1211 5.221,1212 9.241,1213 0.078,1214 0.03,1215 9.241,1216 3.574,1217 0.275,1218 116.933,1219 0.191,1220 35.14,1221 0.48,1222 200,1223 587.736,1224 219.647,1225 563.671,1226 744.42,1227 522,1228 231,1229 522.66,1230 249.324,1231 526.435,1232 763.42,1233 496,1234 4.252}
{0 CHEMBL172635,1 1.559,2 13.435,3 3.974,4 15.79,5 169.532,6 7.122,7 0.327,8 4.562,9 4.686,10 4.064,11 4.045,12 5.676,13 4.026,14 5.129,15 5.306,16 4.466,17 4.456,18 6.275,19 4.412,20 5.466,21 5.668,22 4.531,23 4.646,24 6.525,25 4.572,26 5.612,27 5.855,28 4.627,29 4.67,30 6.701,31 4.607,32 5.595,33 5.799,34 4.734,35 4.661,36 6.999,37 4.634,38 5.632,39 5.844,40 4.745,41 4.748,42 6.87,43 4.704,44 5.717,45 5.916,46 4.8,47 4.841,48 6.924,49 4.79,50 5.837,51 6.063,52 4.812,53 4.907,54 7.049,55 4.835,56 0.106,57 1.273,58 19.36,59 8.127,60 21.419,61 10.966,62 0.664,63 2.038,64 36.796,65 13.54,66 89.78,67 19.267,68 0.979,69 2.597,70 54.308,71 17.947,72 131.631,73 25.28,74 1.03,75 2.805,76 65.304,77 19.158,78 162.175,79 28.565,80 1.915,81 2.771,82 64.468,83 17.367,84 316.062,85 25.326,86 1.404,87 2.912,88 65.953,89 20.019,90 239.528,91 28.288,92 1.269,93 3.148,94 71.041,95 22.42,96 215.32,97 31.134,98 1.787,99 3.435,100 82.168,101 24.735,102 295.121,103 35.36,104 142,105 70,106 0.232,107 0.548,108 0.729,109 0.83,110 0.853,111 0.853,112 3.853,113 0.945,114 -2.38,115 -2.41,116 -2.37,117 38.2,118 5,119 3,120 1,122 1,124 4,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 15,151 1,152 2,153 5,156 5,158 7,161 18,165 1,166 5,167 1,169 4,170 1,171 9,174 8,177 1,178 13,179 1,181 1,183 10,184 1,185 3,188 6,189 13,190 1,191 5,192 2,193 5,195 4,198 1,199 13,202 5,203 2,204 6,205 1,206 9,207 2,210 18,213 3,214 1,215 13,217 14,218 3,220 5,221 16,222 1,223 1,225 10,227 15,228 4,230 1,231 15,234 4,235 1,236 11,237 1,239 20,240 2,243 4950,244 29.67,245 29.67,246 29.67,247 29.67,248 29.67,249 27.059,250 28.873,251 17.417,252 30.039,253 24.225,254 24.225,255 24.225,256 24.225,257 24.225,258 20.157,259 34.333,260 8.33,261 24.789,262 4.916,263 2.799,264 1.584,265 0.903,266 0.75,267 0.75,268 4.536,273 1297,274 6.083,275 127.11,276 515.186,278 235.758,282 1.832,283 76.105,285 0.5,286 0.5,287 0.5,288 0.8,289 1,290 0.33,292 0.52,293 101.5,294 618,295 4.53,296 3.974,297 6.763,298 4.169,299 3.202,300 4.474,301 2.341,302 11.034,303 3.091,304 4.323,305 3.822,306 6.542,307 4.086,308 3.138,309 3.59,310 2.189,311 10.338,312 3.044,313 4.168,314 3.711,315 6.447,316 4.058,317 3.082,318 3.399,319 2.02,320 10.157,321 2.927,322 4.05,323 3.623,324 6.173,325 3.836,326 2.851,327 3.244,328 1.955,329 9.126,330 2.801,331 3.95,332 3.552,333 6.069,334 3.706,335 2.719,336 3.121,337 1.919,338 8.774,339 2.68,340 3.783,341 3.168,342 5.923,343 3.577,344 2.58,345 2.952,346 0.653,347 8.201,348 2.567,349 3.478,350 3.128,351 5.172,352 3.156,353 2.161,354 2.718,355 0.538,356 6.069,357 2.14,358 3.426,359 3.055,360 5.092,361 3.085,362 2.081,363 2.64,364 0.409,365 5.892,366 2.07,367 3.381,368 2.517,369 4.875,370 3.056,371 2.07,372 2.543,373 0.213,374 5.534,375 2.002,376 3.221,377 2.315,378 4.708,379 2.969,380 1.976,381 2.318,382 0.03,383 5.198,384 1.959,385 3.112,386 2.258,387 4.517,388 2.768,389 1.774,390 2.289,392 4.569,393 1.758,394 3.046,395 1.902,396 4.437,397 2.647,398 1.68,399 2.231,401 4.4,402 1.612,403 2.81,404 1.868,405 4.228,406 2.518,407 1.546,408 1.81,410 3.784,411 1.501,412 2.667,413 1.783,414 4.023,415 2.247,416 1.245,417 1.714,419 3.197,420 1.24,421 2.5,422 1.546,423 3.668,424 2.136,425 1.151,426 1.5,428 2.755,429 1.131,430 21.333,431 0.464,432 1.546,433 0.034,434 50.75,435 1.103,436 21.5,437 0.467,438 29.25,439 0.636,440 57.926,441 1.259,442 52.467,443 0.59,444 53.439,445 1.162,446 9.894,447 0.215,448 11.818,449 0.257,450 0.211,451 0.023,452 0.347,454 0.753,455 1.401,456 0.845,457 1.189,458 0.618,459 1.05,460 0.512,461 1.235,462 0.804,463 1.108,464 0.441,465 1.024,466 1.087,467 1.13,468 1.133,469 1.111,470 0.966,471 1.129,472 1.062,473 1.073,474 0.886,475 0.937,476 1.114,477 0.878,478 1.218,479 0.999,480 1.044,481 0.907,482 1.257,483 0.923,484 1.194,485 0.962,486 0.989,487 0.936,488 1.26,489 0.918,490 1.322,491 1.134,492 1.089,493 1.089,494 1.426,495 1.053,496 1.206,497 0.951,498 1.056,499 0.942,500 1.207,501 0.962,502 12,503 0.651,504 5.111,505 3.729,506 2.893,507 2.274,508 1.782,509 1.245,510 1.217,511 0.891,512 32834,513 89594,514 1.963,515 48.3,516 7,517 15,518 1,520 5,521 2,522 13,524 1.843,525 1.786,526 3.652,527 2.066,530 138.776,531 1.559,532 3.677,533 4.891,534 5.572,535 5.725,536 5.725,537 3.021,538 5.116,539 5.498,540 3.863,541 3997.8,542 9.813,543 75291.8,546 576.34,547 1.668,548 5.418,549 0.245,550 0.008,551 0.073,552 0.053,553 0.037,554 0.027,555 0.02,556 0.014,557 0.013,558 0.01,559 0.499,560 0.17,561 0.63,562 1.368,563 266.408,564 -0.067,565 -0.101,566 0.023,567 -0.012,568 -0.06,569 0.019,570 0.245,571 -0.055,572 0.111,573 -0.021,574 0.156,575 0.009,576 -0.087,577 -0.045,578 -0.162,579 -0.093,580 -0.123,581 -0.141,582 -0.05,583 -0.076,584 0.116,585 0.019,586 -0.059,587 0.09,588 0.131,589 0.058,591 0.021,592 0.165,593 -0.006,594 -0.016,595 0.078,596 0.023,597 0.038,598 -0.003,599 0.04,600 -0.121,601 -0.101,602 -0.084,603 -0.086,604 -0.12,605 -0.08,606 -0.049,607 0.042,608 -0.042,609 0.026,610 -0.016,611 0.002,612 2.902,613 7.229,614 0.457,615 53.191,616 1.007,617 1.133,618 1.152,619 1.328,620 0.637,621 3.912,622 4.263,623 4.454,624 4.745,625 4.949,626 5.037,627 5.198,628 5.298,629 5.342,630 5.375,631 8.315,632 0.608,633 633.82,634 3.912,635 5.476,636 6.308,637 7.201,638 8.057,639 8.953,640 9.822,641 10.719,642 11.595,643 12.492,644 5.6,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 89,670 21,671 2,672 49,673 92,674 34,675 14,676 3,677 9,679 4,680 5,684 5,685 2,687 7,688 19,689 15,690 2,691 5,692 5,695 5,699 43,700 11,701 5,702 12,705 5,706 0.75,707 7,710 1,712 1,713 3,715 1,719 2,720 1,721 1,728 1,729 1,731 3,734 5,737 46,739 1,740 4,741 3,742 1,744 5,745 1,746 1,749 7.9,751 1,752 5,754 1,755 25.75,756 16.9,757 9.931,758 5.294,759 2.407,760 1.296,761 0.915,762 11.651,763 10.54,764 4.143,765 4.67,766 5.093,767 5.608,768 6.032,769 6.184,770 6.532,771 6.837,772 6.813,773 6.995,774 0.889,775 71,776 17.418,777 7.727,778 8.009,779 32.138,780 26.504,781 2.509,782 115.417,785 447.302,786 181.044,787 73.942,789 179.408,792 181.044,793 626.71,794 73.942,795 44.126,796 66.866,797 94.334,798 183.432,799 36.73,800 20.678,801 435.531,803 447.302,804 254.986,805 179.408,807 294.278,808 332.432,810 127.777,811 127.208,814 447.302,815 253.35,816 181.044,817 447.302,818 42.584,819 141.584,820 70.818,821 179.408,822 447.302,823 253.35,824 181.044,825 0.588,826 0.313,827 0.177,828 0.1,829 30,830 17,831 0.141,832 13,833 1,834 1.095,835 4.998,836 490.052,837 0.095,838 21,839 243.329,841 35.146,842 15.25,843 9.65,844 1.742,845 236.564,846 18.412,848 3.172,850 1.533,852 113.501,853 881.695,854 62,855 66.01,858 -3.812,859 89.589,860 100.846,861 0.241,862 0.568,863 0.755,864 0.86,865 0.884,866 0.884,867 5.416,868 2.081,869 6.337,870 6.069,871 4.949,872 5.359,873 3.665,874 7.169,875 4.902,876 6.62,877 2.07,878 7.915,879 5.892,880 4.745,881 5.239,882 3.277,883 8.217,884 4.674,885 7.927,886 1.976,887 9.595,888 5.534,889 6.597,890 7.431,891 4.868,892 11.245,893 6.49,894 9.259,895 1.774,896 11.334,897 5.198,898 7.14,899 8.083,900 5.095,901 13.058,902 7.001,903 10.621,904 1.68,905 13.108,906 4.569,907 8.539,908 9.845,909 6.257,910 15.652,911 8.364,912 12.003,913 1.546,914 14.907,915 4.4,916 9.406,917 10.887,918 6.753,919 17.77,920 9.195,921 13.401,922 1.245,923 16.724,924 3.784,925 10.637,926 12.484,927 7.734,928 20.212,929 10.39,930 3.202,931 1.151,932 18.553,933 3.197,934 11.651,935 13.74,936 8.37,937 22.461,938 11.365,939 3.138,940 11.034,941 20.393,942 2.755,943 12.817,944 15.269,945 9.264,946 24.848,947 12.495,948 3.082,949 10.338,950 22.24,951 4.474,952 13.897,953 16.641,954 9.979,955 27.157,956 13.535,957 2.851,958 10.157,959 24.093,960 3.59,961 15.041,962 18.144,963 10.832,964 29.525,965 14.642,966 2.719,967 9.126,968 25.95,969 3.399,970 16.151,971 19.577,972 11.593,973 31.863,974 15.713,975 2.58,976 8.774,977 27.812,978 3.244,979 17.289,980 21.071,981 12.427,982 34.228,983 16.813,984 2.161,985 8.201,986 29.678,987 3.121,988 18.414,989 22.536,990 13.215,991 36.581,992 17.9,993 32055,994 53169,995 31.035,996 56.677,997 75.657,998 78.223,999 76.268,1000 73.959,1001 73.868,1002 90.846,1003 24.534,1004 215.712,1005 72.336,1006 5.53,1007 5.974,1008 6.565,1009 5.243,1010 5.202,1011 7.474,1012 4.044,1013 18.44,1014 5.091,1015 31.12,1016 1.544,1017 1.596,1018 1.556,1019 1.509,1020 1.508,1021 1.854,1022 0.501,1023 4.402,1024 1.476,1025 4.135,1026 4.17,1027 4.088,1028 4.049,1029 7.475,1030 4.054,1031 3.992,1032 4.032,1033 3.927,1034 3.888,1035 7.439,1036 3.888,1037 3.844,1038 3.885,1039 3.768,1040 3.704,1041 7.43,1042 3.713,1043 3.767,1044 3.805,1045 3.69,1046 3.582,1047 7.426,1048 3.596,1049 3.722,1050 3.77,1051 3.609,1052 3.563,1053 7.421,1054 3.563,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.469,1062 3.502,1063 3.379,1064 3.269,1065 4.971,1066 3.281,1067 3.412,1068 3.464,1069 3.304,1070 3.229,1071 4.758,1072 3.244,1073 0.092,1074 0.081,1075 0.138,1076 0.085,1077 0.065,1078 4.53,1079 0.091,1080 3.974,1081 0.048,1082 6.763,1083 0.225,1084 4.169,1085 0.063,1086 3.202,1087 4.474,1088 2.341,1089 11.034,1090 3.091,1091 1.944,1092 1.919,1093 2.065,1094 2.08,1095 1.335,1096 2.072,1097 1.94,1098 1.909,1099 2.04,1100 2.023,1101 1.273,1102 2.029,1103 1.807,1104 1.761,1105 2.009,1106 1.973,1107 1.237,1108 1.98,1109 1.715,1110 1.671,1111 1.947,1112 1.92,1113 1.118,1114 1.922,1115 1.698,1116 1.649,1117 1.874,1118 1.88,1119 1.078,1120 1.886,1121 1.665,1122 1.612,1123 1.847,1124 1.846,1125 1.041,1126 1.859,1127 1.433,1128 1.381,1129 1.631,1130 1.674,1131 0.844,1132 1.662,1133 1.369,1134 1.325,1135 1.587,1136 1.623,1137 0.798,1138 1.601,1139 4.595,1140 5.938,1141 2.398,1142 7.446,1143 4.727,1144 9.036,1145 6.823,1146 10.675,1147 8.912,1151 9.588,1152 -0.261,1153 8.341,1154 5.441,1156 -4.105,1157 1.258,1158 -0.814,1159 54.12,1160 138.776,1161 327.257,1162 435.333,1163 495.937,1164 509.546,1165 509.546,1166 184.54,1167 8.133,1168 169.93,1169 169.93,1170 23,1171 13.021,1172 4.459,1173 3.807,1174 90.487,1175 226,1176 228,1177 0.186,1178 334.153,1179 599.47,1180 807.093,1181 39647,1183 33.595,1184 0.73,1185 0.583,1186 33.595,1187 26.833,1188 21.712,1189 0.443,1190 0.315,1191 15.228,1192 20.827,1193 14.713,1194 12.276,1195 21.712,1196 15.44,1197 21.173,1198 0.302,1199 0.186,1200 21.173,1201 13.029,1202 15.016,1203 0.177,1204 0.09,1205 15.016,1206 7.656,1207 13.137,1208 0.115,1209 0.049,1210 13.137,1211 5.61,1212 10.413,1213 0.074,1214 0.027,1215 10.413,1216 3.761,1217 0.289,1218 136.716,1219 0.18,1220 39.459,1221 0.525,1222 238,1223 737.539,1224 267.119,1225 699.513,1226 921.02,1227 646,1228 274,1229 651.541,1230 300.054,1231 653.391,1232 948.3,1233 612,1234 5.027}
{0 CHEMBL1732,1 1.542,2 13.302,3 3.307,4 10.934,5 159.468,6 7.297,7 0.32,8 4.505,9 4.622,10 4.066,11 4.033,12 5.52,13 4.02,14 5.136,15 5.298,16 4.56,17 4.527,18 6.145,19 4.498,20 5.504,21 5.695,22 4.713,23 4.754,24 6.52,25 4.701,26 5.664,27 5.871,28 4.757,29 4.81,30 6.763,31 4.752,32 5.681,33 5.895,34 4.697,35 4.783,36 6.859,37 4.711,38 5.638,39 5.872,40 4.638,41 4.742,42 6.706,43 4.662,44 5.62,45 5.857,46 4.551,47 4.67,48 6.706,49 4.595,50 5.481,51 5.701,52 4.464,53 4.595,54 6.586,55 4.509,56 0.061,57 1.216,58 17.281,59 7.515,60 16.188,61 9.904,62 0.596,63 2.143,64 35.379,65 13.28,66 49.459,67 18.357,68 0.884,69 2.842,70 54.287,71 19.094,72 91.625,73 26.044,74 1.143,75 3.128,76 66.321,77 21.915,78 163.172,79 29.839,80 1.544,81 3.101,82 69.09,83 22.05,84 237.089,85 30.032,86 0.97,87 3.028,88 65.655,89 21.288,90 145.093,91 30.072,92 1.197,93 2.838,94 66.469,95 20.341,96 165.298,97 27.972,98 0.93,99 2.513,100 56.099,101 19.194,102 151.375,103 26.04,104 37,105 79,106 0.233,107 0.578,108 0.792,109 0.88,110 0.896,111 0.896,112 3.788,113 0.924,114 -3.78,115 -3.75,116 -3.56,117 41.3,118 1,119 5,120 2,121 1,122 2,124 3,127 1,128 1,132 8,133 4,138 1,139 1,141 3,150 17,152 3,153 8,156 4,158 5,161 19,165 4,166 11,169 3,171 5,174 16,177 2,178 15,181 2,182 1,183 6,185 11,188 5,189 15,191 3,193 5,195 9,198 1,199 19,202 2,204 9,206 6,209 3,210 14,215 7,217 9,220 1,221 12,223 2,224 1,225 5,227 13,230 1,231 14,236 2,239 11,243 3567,244 29.004,245 29.004,246 29.004,247 29.004,248 29.004,249 26.8,250 33.999,251 16.233,252 29.394,253 24.661,254 24.661,255 24.661,256 24.661,257 24.661,258 21.177,259 39.696,260 7.684,261 25.302,262 4.78,263 2.496,264 1.082,265 0.503,266 0.394,267 0.394,268 4.514,272 1,273 1319,274 4.301,275 237.802,276 458.773,278 557.483,279 283.399,280 166.131,281 191.998,282 1.937,283 63.462,285 0.75,286 0.5,287 0.83,288 0.7,289 0.5,290 0.83,291 1,292 0.73,293 93.5,294 572,295 4.879,296 4.459,297 8.108,298 4.791,299 3.839,300 4.609,301 2.228,302 15.813,303 3.651,304 4.689,305 3.917,306 7.335,307 4.34,308 3.352,309 3.965,310 1.983,311 12.585,312 3.313,313 4.311,314 3.705,315 7.022,316 4.191,317 3.236,318 3.479,319 1.901,320 12.05,321 3.086,322 4.065,323 3.545,324 6.462,325 3.884,326 2.908,327 3.384,328 1.465,329 9.882,330 2.842,331 3.954,332 3.479,333 6.431,334 3.75,335 2.755,336 3.224,337 0.93,338 9.738,339 2.737,340 3.8,341 2.98,342 6.309,343 3.558,344 2.589,345 2.994,346 0.8,347 9.069,348 2.518,349 3.727,350 2.93,351 5.944,352 3.471,353 2.482,354 2.904,355 0.583,356 8.211,357 2.449,358 3.529,359 2.742,360 5.636,361 3.3,362 2.332,363 2.819,364 0.186,365 7.296,366 2.237,367 3.45,368 2.564,369 5.367,370 3.255,371 2.278,372 2.547,374 6.896,375 2.226,376 3.305,377 2.552,378 5.114,379 2.922,380 1.949,381 2.456,383 5.884,384 1.889,385 2.926,386 2.164,387 5.098,388 2.622,389 1.619,390 2.061,392 4.998,393 1.605,394 2.868,395 1.978,396 4.636,397 2.483,398 1.48,399 1.866,401 4.405,402 1.483,403 2.721,404 1.898,405 4.446,406 2.441,407 1.475,408 1.788,410 3.703,411 1.421,412 2.639,413 1.548,414 4.312,415 2.33,416 1.328,417 1.665,419 3.331,420 1.322,421 2.507,422 1.522,423 3.911,424 2.18,425 1.183,426 1.5,428 2.881,429 1.176,430 20.167,431 0.469,432 1.426,433 0.033,434 48.25,435 1.122,436 18.5,437 0.43,438 29.75,439 0.692,440 53.733,441 1.25,442 47.033,443 0.588,444 44.947,445 1.045,446 8.902,447 0.207,448 11.774,449 0.274,450 0.116,451 0.05,452 0.382,454 0.769,455 1.371,456 0.782,457 1.101,458 0.618,459 0.964,460 0.637,461 1.149,462 0.812,463 0.999,464 0.516,465 0.937,466 1.021,467 1.074,468 1.007,469 1.056,470 0.907,471 1.029,472 1.264,473 1.07,474 1.051,475 1.04,476 1.334,477 1.014,478 1.329,479 0.995,480 1.115,481 0.979,482 1.325,483 1.01,484 1.106,485 1.071,486 1.006,487 1.029,488 1.082,489 1,490 1.504,491 0.865,492 1.099,493 0.878,494 1.635,495 0.911,496 1.234,497 1.048,498 1.067,499 1.07,500 1.249,501 1.055,502 10,503 0.416,504 6.889,505 5.389,506 4.712,507 2.532,508 1.609,509 1.149,510 0.71,511 0.554,512 32205,513 72715,514 2.18,515 46.3,516 2,517 18,518 1,520 3,521 1,522 9,523 3,524 1.82,525 2.016,526 3.67,527 0.71,530 123.32,531 1.542,532 3.826,533 5.24,534 5.819,535 5.928,536 5.928,537 3.11,538 5.037,539 5.401,540 3.863,541 3487.88,542 9.574,543 59272.8,546 505.754,547 1.654,548 5.343,549 0.2,550 0.007,551 0.087,552 0.061,553 0.053,554 0.031,555 0.021,556 0.016,557 0.011,558 0.01,559 0.497,560 0.33,561 0.75,562 0.523,563 242.746,564 -0.053,565 -0.142,566 0.066,567 -0.005,568 -0.053,569 0.041,570 0.216,571 0.022,572 0.098,573 0.028,574 0.073,575 0.039,576 0.036,577 0.001,578 -0.042,579 -0.06,580 -0.023,581 -0.063,582 -0.027,583 -0.063,584 -0.043,585 -0.065,586 -0.032,587 -0.057,588 0.008,589 -0.014,590 -0.085,591 -0.018,592 0.067,593 -0.062,594 -0.023,595 -0.082,597 -0.066,598 0.021,599 -0.031,600 -0.168,601 0.091,602 -0.051,603 0.062,604 -0.141,605 0.034,606 -0.032,607 -0.095,608 -0.056,609 -0.08,610 -0.004,611 -0.078,612 3.277,613 7.188,614 0.791,615 46.369,616 1.004,617 1.127,618 2.553,619 6.519,620 0.656,621 3.932,622 4.382,623 4.779,624 5.176,625 5.493,626 5.697,627 5.94,628 6.155,629 6.282,630 6.405,631 7.892,632 0.626,633 583.75,634 3.932,635 5.557,636 6.482,637 7.439,638 8.384,639 9.347,640 10.301,641 11.268,642 12.228,643 13.197,644 6.3,647 1,649 3,650 1,653 2,654 9,656 1,658 3,660 16,669 80,670 19,671 2,672 50,673 87,674 33,675 14,676 4,677 8,679 8,680 19,684 1,685 8,686 2,687 9,688 17,689 16,690 2,691 3,692 3,695 3,699 37,700 9,701 3,702 10,705 5,706 0.375,707 5,710 1,711 1,712 3,713 5,715 4,716 2,717 1,718 1,719 1,720 2,727 1,729 1,730 1,731 3,734 2,737 43,739 1,740 7,741 1,742 1,744 5,745 3,746 2,749 6.3,750 1,752 3,753 1,755 21.333,756 14.633,757 8.875,758 5.057,759 2.806,760 1.274,761 0.98,762 6.21,763 13.06,764 4.127,765 4.725,766 5.296,767 5.859,768 6.338,769 6.62,770 7.025,771 7.415,772 7.602,773 7.861,774 0.889,775 88,776 16.4,777 7.878,778 7.744,779 31.272,780 28.654,781 2.244,782 96.5,785 400.217,786 147.351,787 44.169,789 129.118,792 147.351,793 529.335,794 44.169,795 17.222,796 41.143,797 127.541,798 100.549,799 32.04,800 13.915,801 388.446,803 400.217,804 191.52,805 129.118,807 258.964,808 216.688,809 53.683,810 69.878,811 121.642,814 400.217,815 173.287,816 147.351,817 400.217,818 45.272,819 111.452,820 34.796,821 129.118,822 400.217,823 173.287,824 147.351,825 0.61,826 0.38,827 0.22,828 0.124,829 46,830 20,831 0.046,832 4,833 6,834 1.324,835 4.91,836 518.236,837 0.353,838 33,839 229.329,841 27.482,842 9.717,843 4.021,844 2.372,845 156.502,846 17.884,848 3.395,850 3.437,852 77.48,853 720.856,854 61,855 41.881,858 -1.074,859 80.283,860 90.182,861 0.244,862 0.605,863 0.829,864 0.92,865 0.938,866 0.938,867 5.472,868 2.332,869 6.547,870 8.211,871 5.069,872 5.414,873 3.356,874 7.532,875 5.017,876 6.7,877 2.278,878 8.219,879 7.296,880 4.977,881 5.366,882 2.838,883 8.916,884 4.884,885 8.054,886 1.949,887 10.004,888 6.896,889 6.874,890 7.558,891 4.382,892 12.096,893 6.754,894 9.441,895 1.619,896 11.859,897 5.884,898 7.601,899 8.324,900 4.503,901 14.317,902 7.433,903 10.864,904 1.48,905 13.76,906 4.998,907 9.045,908 10.061,909 5.654,910 17.127,911 8.843,912 12.313,913 1.475,914 15.693,915 4.405,916 10.109,917 11.203,918 6.073,919 19.667,920 9.856,921 13.782,922 1.328,923 17.652,924 3.703,925 11.425,926 12.785,927 7.039,928 22.4,929 11.131,930 3.839,931 1.183,932 19.63,933 3.331,934 12.629,935 14.112,936 7.616,937 25.062,938 12.282,939 3.352,940 15.813,941 21.624,942 2.881,943 13.921,944 15.64,945 8.49,946 27.789,947 13.527,948 3.236,949 12.585,950 23.632,951 4.609,952 15.184,953 17.061,954 9.154,955 30.502,956 14.737,957 2.908,958 12.05,959 25.651,960 3.965,961 16.48,962 18.573,963 9.981,964 33.237,965 15.982,966 2.755,967 9.882,968 27.679,969 3.479,970 17.773,971 20.042,972 10.696,973 35.972,974 17.221,975 2.589,976 9.738,977 29.716,978 3.384,979 19.08,980 21.553,981 11.501,982 38.717,983 18.475,984 2.482,985 9.069,986 31.76,987 3.224,988 20.389,989 23.047,990 12.245,991 41.463,992 19.73,993 28585,994 43124,995 33.52,996 52.483,997 79.992,998 81.593,999 81.737,1000 78.792,1001 78.664,1002 93.61,1003 20.151,1004 256.023,1005 76.81,1006 5.879,1007 6.459,1008 7.91,1009 5.867,1010 5.839,1011 7.609,1012 3.882,1013 24.799,1014 5.651,1015 20.932,1016 1.6,1017 1.632,1018 1.635,1019 1.576,1020 1.573,1021 1.872,1022 0.403,1023 5.12,1024 1.536,1025 4.191,1026 4.224,1027 4.145,1028 4.114,1029 7.435,1030 4.117,1031 4.044,1032 4.079,1033 3.994,1034 3.9,1035 7.425,1036 3.909,1037 3.881,1038 3.914,1039 3.808,1040 3.774,1041 7.421,1042 3.784,1043 3.835,1044 3.888,1045 3.75,1046 3.685,1047 6.452,1048 3.693,1049 3.694,1050 3.743,1051 3.606,1052 3.498,1053 4.965,1054 3.517,1055 3.48,1056 3.533,1057 3.372,1058 3.353,1059 4.752,1060 3.347,1061 3.442,1062 3.494,1063 3.338,1064 3.303,1065 4.564,1066 3.307,1067 3.353,1068 3.395,1069 3.274,1070 3.169,1071 4.336,1072 3.183,1073 0.098,1074 0.089,1075 0.162,1076 0.096,1077 0.077,1078 4.879,1079 0.092,1080 4.459,1081 0.045,1082 8.108,1083 0.316,1084 4.791,1085 0.073,1086 3.839,1087 4.609,1088 2.228,1089 15.813,1090 3.651,1091 2.044,1092 2.02,1093 2.15,1094 2.134,1095 1.53,1096 2.141,1097 1.93,1098 1.901,1099 2.057,1100 2.039,1101 1.293,1102 2.041,1103 1.775,1104 1.732,1105 1.92,1106 1.938,1107 1.216,1108 1.933,1109 1.712,1110 1.675,1111 1.863,1112 1.906,1113 1.158,1114 1.888,1115 1.617,1116 1.574,1117 1.813,1118 1.838,1119 1.052,1120 1.821,1121 1.572,1122 1.511,1123 1.778,1124 1.755,1125 0.972,1126 1.784,1127 1.509,1128 1.46,1129 1.716,1130 1.708,1131 0.913,1132 1.712,1133 1.286,1134 1.214,1135 1.6,1136 1.544,1137 0.812,1138 1.563,1139 4.615,1140 6.033,1141 3.434,1142 7.652,1143 5.9,1144 9.371,1145 8.122,1146 11.147,1147 3.57,1151 12.057,1152 4.074,1153 2.915,1154 6.249,1156 -1.551,1157 5.127,1158 -3.837,1159 50.11,1160 123.32,1161 306.109,1162 419.225,1163 465.49,1164 474.244,1165 474.244,1166 105.459,1167 10.254,1168 118.21,1169 118.21,1170 45,1171 13.676,1172 4.322,1173 3.585,1174 53.767,1175 205,1176 205,1177 0.127,1178 292.849,1179 520.43,1180 706.312,1181 532843,1183 29.673,1184 0.69,1185 0.569,1186 29.673,1187 24.454,1188 20.676,1189 0.414,1190 0.308,1191 15.192,1192 19.925,1193 14.875,1194 12.101,1195 20.676,1196 15.396,1197 20.338,1198 0.257,1199 0.167,1200 20.338,1201 13.187,1202 18.595,1203 0.158,1204 0.09,1205 18.595,1206 10.623,1207 17.027,1208 0.097,1209 0.049,1210 17.027,1211 8.649,1212 14.492,1213 0.06,1214 0.027,1215 14.492,1216 6.531,1217 0.197,1218 129.507,1219 0.173,1220 37.25,1221 0.354,1222 258,1223 662.693,1224 285.851,1225 632.325,1226 877.45,1227 592,1228 326,1229 663.592,1230 356.906,1231 663.918,1232 1009.42,1233 629,1234 4.097}
{0 CHEMBL1773877,1 1.615,2 15.644,3 5.652,4 31.944,5 164.129,6 8.171,7 0.569,8 4.43,9 4.524,10 4.078,11 4,12 5.601,13 4.004,14 4.969,15 5.11,16 4.474,17 4.405,18 6.168,19 4.4,20 5.232,21 5.399,22 4.602,23 4.591,24 6.403,25 4.562,26 5.302,27 5.479,28 4.58,29 4.602,30 6.49,31 4.558,32 5.352,33 5.558,34 4.573,35 4.57,36 6.541,37 4.533,38 5.274,39 5.461,40 4.553,41 4.535,42 6.476,43 4.503,44 5.285,45 5.462,46 4.534,47 4.517,48 6.562,49 4.483,50 5.293,51 5.493,52 4.453,53 4.473,54 6.465,55 4.426,56 0.115,57 1.098,58 12.397,59 6.74,60 16.525,61 7.641,62 0.526,63 1.847,64 25.375,65 11.068,66 54.849,67 12.954,68 0.792,69 2.373,70 35.785,71 15.103,72 70.432,73 18.018,74 0.634,75 2.536,76 39.127,77 16.686,78 89.99,79 20.238,80 0.961,81 2.688,82 45.048,83 16.36,84 115.485,85 20.095,86 0.838,87 2.502,88 39.186,89 15.093,90 95.217,91 18.241,92 0.986,93 2.452,94 40.053,95 15.683,96 139.639,97 18.436,98 1.028,99 2.403,100 42.882,101 15.821,102 126.106,103 19.111,104 27,105 74,106 0.245,107 0.573,108 0.737,109 0.834,110 0.867,111 0.875,112 3.832,113 0.864,114 -4.81,115 -4.72,116 -4.43,117 47.3,118 1,122 6,132 12,133 7,134 4,135 1,136 1,137 1,141 2,148 1,149 1,150 18,151 1,152 2,153 8,156 1,158 1,161 23,162 2,165 6,166 11,171 2,174 17,175 2,178 14,179 1,183 2,185 10,186 3,188 2,189 16,191 1,193 3,195 7,196 1,198 4,199 12,204 1,206 7,209 2,210 15,211 1,217 5,220 1,221 18,223 1,227 3,230 2,231 14,232 1,239 1,243 4501,244 30.67,245 30.67,246 30.67,247 30.67,248 30.67,249 27.073,250 28.052,251 17.735,252 31.301,253 25.169,254 25.169,255 25.169,256 25.169,257 25.169,258 19.541,259 33.803,260 8.401,261 26.196,262 4.595,263 2.429,264 1.348,265 0.713,266 0.497,267 0.443,268 4.553,272 1,273 1579,274 3.674,276 983.477,279 462.843,282 2.322,283 60.757,285 0.75,286 0.5,287 0.83,288 0.7,289 0.5,290 0.83,291 1,292 0.73,293 98.5,294 704,295 4.59,296 3.7,297 6.802,298 4.193,299 3.217,300 4.511,301 1.437,302 11.228,303 3.142,304 4.572,305 3.618,306 6.685,307 4.156,308 3.164,309 4.292,310 1.2,311 10.802,312 3.138,313 4.272,314 3.306,315 6.381,316 3.906,317 2.947,318 3.916,319 0.86,320 9.646,321 2.823,322 4.193,323 3.224,324 6.221,325 3.852,326 2.897,327 3.708,328 0.86,329 9.301,330 2.769,331 3.97,332 3.128,333 6.084,334 3.637,335 2.688,336 3.368,337 0.8,338 8.825,339 2.543,340 3.884,341 2.853,342 5.985,343 3.567,344 2.605,345 3.236,346 0.293,347 8.406,348 2.492,349 3.765,350 2.791,351 5.579,352 3.346,353 2.344,354 3.174,356 7.088,357 2.337,358 3.524,359 2.373,360 5.31,361 3.17,362 2.194,363 2.852,365 6.585,366 2.145,367 3.364,368 2.32,369 5.12,370 3.03,371 2.084,372 2.581,374 6.061,375 1.96,376 3.073,377 2.2,378 4.783,379 2.678,380 1.722,381 2.251,383 4.954,384 1.636,385 2.978,386 2.139,387 4.513,388 2.531,389 1.618,390 2.146,392 4.414,393 1.502,394 2.935,395 1.862,396 4.429,397 2.526,398 1.561,399 2.082,401 4.349,402 1.469,403 2.923,404 1.845,405 4.239,406 2.439,407 1.461,408 2.061,410 3.679,411 1.426,412 2.826,413 1.816,414 4.197,415 2.393,416 1.436,417 1.947,419 3.623,420 1.354,421 2.686,422 1.636,423 3.833,424 2.316,425 1.342,426 1.716,428 2.987,429 1.295,430 21.052,431 0.468,432 1.165,433 0.026,434 62.5,435 1.389,436 32.5,437 0.722,438 30,439 0.667,440 40.992,441 0.911,442 46.748,443 0.632,444 57.93,445 1.287,446 12.513,447 0.278,448 9.338,449 0.208,450 0.085,452 0.394,453 1,454 0.716,455 1.138,456 0.679,457 1.021,458 0.605,459 0.88,460 0.825,461 0.961,462 0.798,463 0.876,464 0.515,465 0.83,466 0.862,467 0.937,468 0.914,469 0.937,470 0.72,471 0.935,472 0.916,473 1.203,474 0.98,475 1.158,476 1.013,477 1.106,478 1.079,479 1.07,480 0.995,481 0.92,482 1.214,483 0.921,484 0.995,485 1.032,486 1.01,487 1.011,488 1.043,489 1.004,490 1.116,491 1.127,492 1.08,493 1.101,494 1.268,495 1.088,496 1.12,497 1.065,498 1.071,499 1.007,500 1.29,501 1.023,502 8.5,503 0.441,504 6,505 3.188,506 3.031,507 2.16,508 1.413,509 0.951,510 0.667,511 0.482,512 39025,513 109179,514 2.158,515 39.2,516 3,517 24,519 1,520 1,524 1.828,525 2.03,526 3.877,527 -0.407,530 119.484,531 1.615,532 3.781,533 4.861,534 5.497,535 5.713,536 5.767,537 3.319,538 5.314,539 5.464,540 4.105,541 4063.65,542 9.688,543 76518.3,546 459.5,547 1.378,548 5.429,549 0.167,550 0.008,551 0.081,552 0.039,553 0.039,554 0.028,555 0.019,556 0.013,557 0.01,558 0.008,559 0.412,560 0.17,561 0.75,562 0.596,563 262.861,564 -0.045,565 -0.133,566 0.049,567 -0.041,568 -0.053,569 0.01,570 0.001,571 0.048,572 0.043,573 0.077,574 0.088,575 0.074,576 0.019,577 0.076,578 -0.013,579 0.034,580 0.024,581 0.008,582 -0.043,583 -0.206,584 -0.053,585 -0.17,586 -0.043,587 -0.132,588 -0.079,589 0.006,590 0.002,591 0.037,592 -0.098,593 0.042,594 -0.033,595 0.012,596 -0.056,597 -0.059,598 -0.05,599 -0.062,600 -0.016,601 -0.092,602 -0.107,603 -0.129,604 -0.027,605 -0.141,606 -0.049,607 -0.076,608 -0.059,609 -0.039,610 -0.114,611 -0.051,612 2.653,613 7.33,614 0.844,615 59.667,616 1.014,617 1.119,618 3.581,619 12.82,620 0.691,621 3.951,622 4.317,623 4.644,624 4.942,625 5.247,626 5.38,627 5.576,628 5.737,629 5.905,630 6.028,631 9.26,632 0.674,633 604.68,634 3.951,635 5.525,636 6.405,637 7.305,638 8.199,639 9.102,640 10.002,641 10.907,642 11.809,643 12.716,644 5.4,648 1,649 1,652 2,653 2,654 13,655 2,658 11,660 29,663 1,664 1,665 1,667 2,668 1,669 74,670 31,671 4,672 51,673 80,674 35,675 26,676 10,677 12,678 2,679 7,680 9,684 1,688 28,689 7,691 2,692 2,695 2,698 1,699 29,700 10,701 1,702 10,705 4,706 0.714,707 5,709 1,713 7,716 2,729 1,731 5,734 1,736 1,737 45,739 1,740 6,742 2,745 2,748 1,749 6.8,751 1,752 2,754 2,755 22.167,756 13.893,757 9.639,758 4.504,759 4.636,760 1.491,761 1.017,762 7.761,763 14.081,764 4.227,765 4.868,766 5.504,767 6.121,768 6.741,769 7.096,770 7.557,771 7.95,772 8.345,773 8.612,774 1,775 82,776 16.811,777 7.518,778 7.878,779 31.573,780 26.695,781 2.378,782 107,785 329.591,786 203.333,787 39.82,789 114.973,790 14.96,792 203.333,793 444.564,794 54.78,795 8.825,796 20.732,797 113.715,798 143.93,799 82.695,800 14.96,801 317.82,803 329.591,804 243.152,805 129.933,807 346.879,808 114.973,810 41.361,811 165.892,812 33.571,814 344.551,815 154.793,816 203.333,817 329.591,818 71.745,819 137.836,821 163.504,822 329.591,823 169.753,824 203.333,825 0.592,826 0.355,827 0.196,828 0.112,829 38,830 17,831 0.063,832 5,833 2,834 1.105,835 5.263,836 501.894,837 0.105,838 38,839 243.133,841 29.059,842 12.018,843 5.667,844 1.522,845 169.753,846 22.962,847 9.088,850 4.35,852 42.683,853 702.676,854 67.5,855 25.671,858 -1.346,859 75.043,860 82.778,861 0.26,862 0.609,863 0.783,864 0.885,865 0.92,866 0.929,867 5.49,868 2.194,869 6.405,870 7.088,871 5.004,872 5.557,873 2.479,874 7.256,875 4.932,876 6.712,877 2.084,878 7.99,879 6.585,880 4.635,881 5.421,882 0.57,883 8.219,884 4.537,885 8.035,886 1.722,887 9.674,888 6.061,889 6.64,890 7.795,891 2.754,892 11.342,893 6.51,894 9.392,895 1.618,896 11.415,897 4.954,898 7.083,899 8.476,900 0.801,901 13.117,902 6.933,903 10.782,904 1.561,905 13.194,906 4.414,907 8.56,908 10.336,909 3.226,910 15.755,911 8.381,912 12.194,913 1.461,914 14.997,915 4.349,916 9.373,917 11.406,918 1.074,919 17.865,920 9.176,921 13.623,922 1.436,923 16.817,924 3.679,925 10.639,926 13.049,927 3.807,928 20.333,929 10.418,930 3.217,931 1.342,932 18.651,933 3.623,934 11.624,935 14.317,936 1.404,937 22.591,938 11.387,939 3.164,940 11.228,941 20.494,942 2.987,943 12.806,944 15.864,945 4.449,946 25,947 12.548,948 2.947,949 10.802,950 22.346,951 4.511,952 13.872,953 17.234,954 1.768,955 27.326,956 13.598,957 2.897,958 9.646,959 24.204,960 4.292,961 15.022,962 18.74,963 5.125,964 29.717,965 14.731,966 2.688,967 9.301,968 26.067,969 3.916,970 16.126,971 20.164,972 2.15,973 32.076,974 15.82,975 2.605,976 8.825,977 27.934,978 3.708,979 17.267,980 21.653,981 5.82,982 34.464,983 16.946,984 2.344,985 8.406,986 29.806,987 3.368,988 18.39,989 23.105,990 2.538,991 36.841,992 18.055,993 35431,994 59475,995 34.619,996 51.131,997 78.457,998 80.559,999 80.17,1000 77.842,1001 77.785,1002 101.847,1003 10.899,1004 231.208,1005 74.823,1006 5.59,1007 5.7,1008 6.489,1009 5.333,1010 5.217,1011 7.511,1012 2.873,1013 18.608,1014 5.142,1015 21.152,1016 1.538,1017 1.58,1018 1.572,1019 1.526,1020 1.525,1021 1.997,1022 0.214,1023 4.533,1024 1.467,1025 4.122,1026 4.145,1027 4.083,1028 4.065,1029 8.201,1030 4.066,1031 4.045,1032 4.065,1033 4.016,1034 3.972,1035 7.475,1036 3.979,1037 3.898,1038 3.915,1039 3.852,1040 3.817,1041 7.428,1042 3.821,1043 3.828,1044 3.883,1045 3.76,1046 3.643,1047 6.351,1048 3.664,1049 3.691,1050 3.735,1051 3.623,1052 3.533,1053 5.007,1054 3.55,1055 3.504,1056 3.531,1057 3.438,1058 3.38,1059 4.877,1060 3.385,1061 3.428,1062 3.472,1063 3.328,1064 3.234,1065 4.867,1066 3.244,1067 3.3,1068 3.319,1069 3.225,1070 3.107,1071 4.598,1072 3.132,1073 0.09,1074 0.073,1075 0.133,1076 0.082,1077 0.063,1078 4.59,1079 0.088,1080 3.7,1081 0.028,1082 6.802,1083 0.22,1084 4.193,1085 0.062,1086 3.217,1087 4.511,1088 1.437,1089 11.228,1090 3.142,1091 2.081,1092 2.065,1093 2.154,1094 2.149,1095 1.342,1096 2.151,1097 1.996,1098 1.978,1099 2.065,1100 2.094,1101 1.229,1102 2.083,1103 1.874,1104 1.856,1105 1.979,1106 1.986,1107 1.199,1108 1.98,1109 1.768,1110 1.71,1111 1.949,1112 1.97,1113 1.104,1114 1.97,1115 1.626,1116 1.587,1117 1.754,1118 1.814,1119 0.953,1120 1.797,1121 1.47,1122 1.438,1123 1.638,1124 1.629,1125 0.825,1126 1.631,1127 1.389,1128 1.337,1129 1.612,1130 1.593,1131 0.745,1132 1.597,1133 1.206,1134 1.179,1135 1.513,1136 1.442,1137 0.704,1138 1.433,1139 4.635,1140 5.989,1142 7.548,1144 9.197,1146 10.893,1147 1.809,1149 15.33,1151 9.806,1152 2.654,1154 11.412,1157 3.742,1159 49.891,1160 119.484,1161 279.771,1162 359.725,1163 406.745,1164 422.745,1165 426.745,1166 96.028,1167 9.445,1168 105.09,1169 105.09,1170 42,1171 13.234,1172 5,1173 4.129,1174 62.282,1175 251,1176 231,1177 0.118,1178 296.267,1179 524.82,1180 714.651,1181 205427,1182 1.4,1183 31.078,1184 0.691,1185 0.544,1186 30.208,1187 24.495,1188 21.851,1189 0.428,1190 0.288,1191 14.471,1192 20.95,1193 14.191,1194 11.623,1195 21.441,1196 14.694,1197 20.22,1198 0.273,1199 0.15,1200 19.68,1201 11.096,1202 17.754,1203 0.172,1204 0.08,1205 17.372,1206 8.222,1207 15.222,1208 0.11,1209 0.042,1210 14.661,1211 5.888,1212 13.038,1213 0.069,1214 0.022,1215 12.881,1216 4.243,1217 0.187,1218 137.535,1219 0.17,1220 39.437,1221 0.316,1222 250,1223 807.783,1224 276.218,1225 747.012,1226 1019.43,1227 700,1228 302,1229 749.461,1230 329.049,1231 750.093,1232 1112.89,1233 708,1234 9.921}
{0 CHEMBL1774043,1 1.589,2 15.512,3 5.85,4 34.219,5 159.635,6 8.009,7 0.604,8 4.386,9 4.486,10 4.014,11 3.964,12 5.569,13 3.958,14 4.907,15 5.059,16 4.395,17 4.36,18 6.11,19 4.343,20 5.16,21 5.329,22 4.531,23 4.551,24 6.332,25 4.512,26 5.277,27 5.46,28 4.53,29 4.573,30 6.467,31 4.52,32 5.332,33 5.548,34 4.522,35 4.538,36 6.518,37 4.493,38 5.235,39 5.431,40 4.481,41 4.494,42 6.426,43 4.454,44 5.233,45 5.412,46 4.451,47 4.469,48 6.522,49 4.424,50 5.235,51 5.441,52 4.34,53 4.42,54 6.385,55 4.355,56 0.079,57 1.065,58 12.452,59 6.515,60 14.531,61 7.658,62 0.448,63 1.77,64 24.706,65 10.525,66 51.28,67 12.865,68 0.524,69 2.271,70 33.102,71 14.239,72 59.007,73 17.534,74 0.524,75 2.487,76 39.206,77 16.373,78 87.618,79 20.306,80 0.858,81 2.642,82 45.353,83 16.127,84 114.174,85 20.309,86 0.669,87 2.43,88 38.763,89 14.571,90 90.971,91 17.986,92 0.886,93 2.338,94 38.827,95 15.036,96 135.711,97 17.925,98 0.758,99 2.281,100 41.011,101 15.366,102 112.881,103 18.939,104 41,105 69,106 0.243,107 0.563,108 0.729,109 0.827,110 0.859,111 0.863,112 3.788,113 0.869,114 -5.37,115 -5.25,116 -4.91,117 47.2,118 1,121 1,122 4,132 13,133 7,134 3,135 1,136 1,137 1,141 2,148 1,149 1,150 19,151 1,152 2,153 8,156 1,158 1,161 25,162 2,165 5,166 9,171 2,174 19,175 2,178 12,179 1,183 2,185 10,186 3,188 2,189 18,191 1,193 3,195 8,196 1,198 2,199 11,204 1,206 8,209 2,210 14,211 1,217 7,220 1,221 18,223 1,227 4,231 13,232 1,239 2,243 3964,244 29.179,245 29.179,246 29.179,247 29.179,248 29.179,249 25.582,250 24.37,251 16.823,252 29.72,253 23.592,254 23.592,255 23.592,256 23.592,257 23.592,258 18.017,259 28.87,260 7.869,261 24.377,262 4.581,263 2.482,264 1.394,265 0.754,266 0.549,267 0.521,268 4.499,272 1,273 1468,274 3.742,276 859.091,279 231.379,282 2.313,283 54.823,285 0.75,286 0.67,287 0.83,288 0.5,289 0.5,290 0.83,291 1,292 0.73,293 93.5,294 667,295 4.59,296 3.7,297 6.798,298 4.185,299 3.208,300 4.511,301 1.437,302 11.208,303 3.14,304 4.563,305 3.618,306 6.685,307 4.156,308 3.164,309 4.278,310 1.2,311 10.802,312 3.132,313 4.193,314 3.278,315 6.38,316 3.896,317 2.933,318 3.789,319 0.86,320 9.637,321 2.817,322 4.128,323 3.128,324 6.084,325 3.729,326 2.75,327 3.622,328 0.8,329 8.825,330 2.691,331 3.903,332 2.94,333 6.068,334 3.625,335 2.675,336 3.27,337 0.293,338 8.673,339 2.531,340 3.812,341 2.795,342 5.579,343 3.404,344 2.449,345 3.226,347 7.088,348 2.343,349 3.765,350 2.758,351 5.388,352 3.346,353 2.344,354 3.173,356 6.941,357 2.334,358 3.493,359 2.368,360 5.246,361 3.135,362 2.164,363 2.814,365 6.465,366 2.099,367 3.359,368 2.317,369 5.107,370 3.028,371 2.084,372 2.569,374 6.048,375 1.957,376 3.066,377 2.143,378 4.768,379 2.664,380 1.708,381 2.245,383 4.896,384 1.624,385 2.977,386 1.859,387 4.512,388 2.525,389 1.56,390 2.145,392 4.394,393 1.498,394 2.935,395 1.845,396 4.239,397 2.439,398 1.438,399 2.082,401 3.673,402 1.426,403 2.821,404 1.636,405 4.201,406 2.357,407 1.382,408 1.942,410 3.606,411 1.337,412 2.679,413 1.451,414 3.828,415 2.268,416 1.294,417 1.711,419 2.961,420 1.254,421 2.58,422 1.342,423 3.694,424 2.048,425 1.094,426 1.618,428 2.818,429 1.04,430 20.219,431 0.47,432 1.113,433 0.026,434 60,435 1.395,436 32,437 0.744,438 28,439 0.651,440 38.113,441 0.886,442 44.581,443 0.619,444 55.46,445 1.29,446 12.177,447 0.283,448 8.64,449 0.201,450 0.113,452 0.386,453 1,454 0.691,455 1.136,456 0.701,457 1.013,458 0.604,459 0.892,460 0.755,461 0.938,462 0.785,463 0.836,464 0.499,465 0.81,466 0.796,467 0.983,468 0.908,469 0.986,470 0.716,471 0.97,472 0.938,473 1.205,474 0.984,475 1.16,476 1.016,477 1.104,478 1.114,479 1.056,480 0.986,481 0.902,482 1.21,483 0.902,484 1.066,485 1.027,486 1.025,487 0.998,488 1.064,489 0.989,490 1.187,491 1.111,492 1.124,493 1.103,494 1.297,495 1.105,496 1.185,497 1.105,498 1.107,499 1.052,500 1.342,501 1.065,502 8.5,503 0.396,504 5.778,505 3.125,506 2.818,507 2.139,508 1.433,509 0.892,510 0.651,511 0.432,512 33438,513 93920,514 2.111,515 40.3,516 3,517 24,519 1,520 1,524 1.818,525 1.969,526 3.856,527 -0.415,530 114.379,531 1.589,532 3.688,533 4.776,534 5.416,535 5.621,536 5.649,537 3.333,538 5.194,539 5.398,540 4.08,541 3683.89,542 9.554,543 67416.1,546 444.235,547 1.432,548 5.355,549 0.177,550 0.008,551 0.084,552 0.041,553 0.038,554 0.029,555 0.02,556 0.014,557 0.011,558 0.008,559 0.43,560 0.17,561 0.75,562 0.729,563 248.271,564 -0.039,565 -0.128,566 0.044,567 -0.032,568 -0.055,569 0.01,570 0.033,571 0.078,572 0.064,573 0.118,574 0.102,575 0.104,576 0.015,577 0.048,578 -0.024,579 -0.014,580 0.027,581 -0.026,582 -0.033,583 -0.211,584 -0.049,585 -0.173,586 -0.042,587 -0.133,588 -0.066,589 0.012,590 0.023,591 0.052,592 -0.092,593 0.059,594 -0.074,595 0.017,596 -0.062,597 -0.048,598 -0.062,599 -0.048,600 -0.01,601 -0.075,602 -0.145,603 -0.131,604 -0.023,605 -0.163,606 -0.1,607 -0.125,608 -0.097,609 -0.077,610 -0.146,611 -0.089,612 2.65,613 7.2,614 0.791,615 56.106,616 1.01,617 1.119,618 4.139,619 17.135,620 0.69,621 3.892,622 4.248,623 4.564,624 4.844,625 5.142,626 5.278,627 5.46,628 5.587,629 5.733,630 5.852,631 9.079,632 0.669,633 576.67,634 3.892,635 5.46,636 6.333,637 7.228,638 8.118,639 9.017,640 9.913,641 10.815,642 11.714,643 12.618,644 5.6,648 1,649 1,652 2,653 2,654 14,655 2,658 10,660 29,663 1,664 1,665 1,667 1,668 1,669 72,670 31,671 4,672 48,673 77,674 34,675 26,676 9,677 13,678 2,679 6,680 7,684 1,688 28,689 6,691 2,692 2,695 2,698 1,699 29,700 9,701 1,702 9,705 4,706 0.833,707 4,709 1,713 6,716 1,729 1,731 5,734 2,736 1,737 43,739 1,740 4,742 1,745 2,748 1,749 5.6,751 1,752 2,754 1,755 21.833,756 13.81,757 9.361,758 4.261,759 4.597,760 1.507,761 1.003,762 7.9,763 13.66,764 4.182,765 4.82,766 5.454,767 6.065,768 6.685,769 7.029,770 7.482,771 7.853,772 8.229,773 8.479,774 1,775 77,776 16.028,777 7.061,778 7.891,779 30.045,780 25.019,781 2.391,782 102.833,785 329.591,786 209.264,787 39.82,789 103.973,790 14.96,792 209.264,793 433.564,794 54.78,795 19.708,796 11.547,797 123.191,798 143.93,799 66.451,800 14.96,801 317.82,803 329.591,804 249.084,805 118.933,807 346.879,808 103.973,810 32.177,811 181.008,812 33.571,814 344.551,815 143.793,816 209.264,817 329.591,818 57.317,819 158.196,821 152.504,822 329.591,823 158.753,824 209.264,825 0.589,826 0.354,827 0.191,828 0.109,829 34,830 16,831 0.078,832 6,833 1,834 1.059,835 5.076,836 461.463,837 0.059,838 34,839 225.329,841 28.482,842 11.926,843 5.722,844 1.528,845 158.753,846 24.838,847 9.031,850 4.014,852 42.683,853 697.608,854 64.5,855 25.554,858 -1.331,859 72.716,860 80.568,861 0.257,862 0.598,863 0.774,864 0.878,865 0.911,866 0.916,867 5.435,868 2.164,869 6.333,870 6.941,871 4.934,872 5.509,873 2.346,874 7.179,875 4.875,876 6.659,877 2.084,878 7.917,879 6.465,880 4.575,881 5.359,882 0.57,883 8.143,884 4.485,885 7.98,886 1.708,887 9.599,888 6.048,889 6.567,890 7.748,891 2.682,892 11.256,893 6.457,894 9.336,895 1.56,896 11.338,897 4.896,898 7.013,899 8.409,900 0.801,901 13.032,902 6.878,903 10.723,904 1.438,905 13.114,906 4.394,907 8.48,908 10.282,909 3.193,910 15.668,911 8.327,912 12.132,913 1.382,914 14.915,915 3.673,916 9.292,917 11.336,918 1.074,919 17.783,920 9.119,921 13.558,922 1.294,923 16.734,924 3.606,925 10.553,926 12.989,927 3.793,928 20.255,929 10.363,930 3.208,931 1.094,932 18.567,933 2.961,934 11.537,935 14.248,936 1.404,937 22.519,938 11.329,939 3.164,940 11.208,941 20.41,942 2.818,943 12.716,944 15.802,945 4.444,946 24.932,947 12.493,948 2.933,949 10.802,950 22.261,951 4.511,952 13.781,953 17.169,954 1.768,955 27.264,956 13.543,957 2.75,958 9.637,959 24.12,960 4.278,961 14.931,962 18.679,963 5.123,964 29.66,965 14.677,966 2.675,967 8.825,968 25.985,969 3.789,970 16.036,971 20.103,972 2.15,973 32.023,974 15.768,975 2.449,976 8.673,977 27.854,978 3.622,979 17.177,980 21.596,981 5.819,982 34.415,983 16.895,984 2.344,985 7.088,986 29.727,987 3.27,988 18.302,989 23.05,990 2.538,991 36.795,992 18.005,993 31023,994 52181,995 32.134,996 49.676,997 73.367,998 75.37,999 75.663,1000 72.735,1001 72.706,1002 96.567,1003 9.179,1004 214.913,1005 70.42,1006 5.59,1007 5.7,1008 6.479,1009 5.256,1010 5.208,1011 7.511,1012 2.873,1013 18.567,1014 5.14,1015 22.743,1016 1.528,1017 1.57,1018 1.576,1019 1.515,1020 1.515,1021 2.012,1022 0.191,1023 4.477,1024 1.467,1025 4.12,1026 4.143,1027 4.081,1028 4.065,1029 8.201,1030 4.065,1031 4.038,1032 4.062,1033 4.009,1034 3.969,1035 7.475,1036 3.974,1037 3.874,1038 3.899,1039 3.82,1040 3.81,1041 7.428,1042 3.808,1043 3.824,1044 3.88,1045 3.752,1046 3.641,1047 6.351,1048 3.661,1049 3.669,1050 3.715,1051 3.604,1052 3.52,1053 4.984,1054 3.535,1055 3.499,1056 3.524,1057 3.433,1058 3.376,1059 4.867,1060 3.381,1061 3.325,1062 3.344,1063 3.278,1064 3.118,1065 4.816,1066 3.15,1067 3.234,1068 3.289,1069 3.109,1070 3.032,1071 4.598,1072 3.04,1073 0.096,1074 0.077,1075 0.142,1076 0.087,1077 0.067,1078 4.59,1079 0.094,1080 3.7,1081 0.03,1082 6.798,1083 0.234,1084 4.185,1085 0.065,1086 3.208,1087 4.511,1088 1.437,1089 11.208,1090 3.14,1091 2.081,1092 2.065,1093 2.154,1094 2.149,1095 1.342,1096 2.151,1097 1.995,1098 1.974,1099 2.068,1100 2.088,1101 1.229,1102 2.08,1103 1.868,1104 1.846,1105 1.981,1106 1.971,1107 1.193,1108 1.97,1109 1.767,1110 1.708,1111 1.949,1112 1.957,1113 1.082,1114 1.964,1115 1.61,1116 1.57,1117 1.716,1118 1.786,1119 0.825,1120 1.768,1121 1.466,1122 1.434,1123 1.62,1124 1.617,1125 0.769,1126 1.612,1127 1.216,1128 1.19,1129 1.559,1130 1.504,1131 0.705,1132 1.519,1133 1.187,1134 1.12,1135 1.513,1136 1.439,1137 0.574,1138 1.433,1139 4.575,1140 5.922,1142 7.473,1144 9.113,1146 10.799,1147 3.396,1149 15.2,1151 9.783,1152 1.802,1154 5.27,1157 3.747,1159 48.176,1160 114.379,1161 265.523,1162 343.864,1163 389.97,1164 404.725,1165 406.725,1166 95.847,1167 9.062,1168 95.86,1169 95.86,1170 36,1171 13.138,1172 5,1173 4.129,1174 63.897,1175 236,1176 237,1177 0.13,1178 290.072,1179 511.09,1180 699.535,1181 128202,1182 1.4,1183 30.087,1184 0.7,1185 0.552,1186 29.217,1187 23.75,1188 20.817,1189 0.434,1190 0.29,1191 13.706,1192 20.021,1193 13.364,1194 11.037,1195 20.406,1196 13.904,1197 19.031,1198 0.276,1199 0.152,1200 18.492,1201 10.467,1202 16.643,1203 0.175,1204 0.082,1205 16.261,1206 7.77,1207 13.948,1208 0.111,1209 0.043,1210 13.387,1211 5.448,1212 11.761,1213 0.069,1214 0.023,1215 11.605,1216 3.881,1217 0.207,1218 130.627,1219 0.176,1220 38.072,1221 0.348,1222 234,1223 746.048,1224 256.011,1225 695.887,1226 945.24,1227 650,1228 281,1229 690.097,1230 303.177,1231 697.17,1232 1026.16,1233 655,1234 9.222}
{0 CHEMBL18329,1 1.509,2 12.048,3 4.084,4 16.682,5 157.408,6 6.798,7 0.208,8 4.545,9 4.672,10 4.04,11 4.038,12 5.51,13 4.012,14 5.197,15 5.381,16 4.544,17 4.54,18 6.138,19 4.497,20 5.569,21 5.772,22 4.736,23 4.787,24 6.545,25 4.726,26 5.773,27 5.998,28 4.815,29 4.868,30 6.83,31 4.807,32 5.778,33 5.996,34 4.767,35 4.857,36 6.949,37 4.786,38 5.759,39 5.977,40 4.686,41 4.856,42 6.831,43 4.766,44 5.822,45 6.072,46 4.548,47 4.842,48 6.792,49 4.714,50 5.763,51 6.044,52 4.438,53 4.76,54 6.677,55 4.605,56 0.042,57 1.279,58 20.159,59 8.094,60 17.156,61 11.383,62 0.605,63 2.228,64 40.866,65 14.28,66 52.693,67 20.969,68 0.805,69 2.949,70 60.714,71 20.257,72 90.33,73 29.369,74 1.245,75 3.308,76 76.879,77 22.894,78 168.883,79 33.563,80 1.629,81 3.277,82 78.005,83 22.806,84 254.046,85 33.083,86 1.196,87 3.248,88 75.572,89 23.184,90 190.559,91 33.575,92 1.298,93 3.295,94 81.437,95 24.592,96 175.098,97 36.232,98 1.114,99 3.035,100 76.568,101 24.39,102 170.533,103 36.464,104 87,105 77,106 0.228,107 0.544,108 0.78,109 0.85,110 0.871,111 0.871,112 3.766,113 0.977,114 -3.82,115 -3.79,116 -3.6,117 37.6,118 4,119 5,120 4,121 1,122 2,124 3,127 1,128 1,132 3,133 3,138 1,139 1,141 3,150 15,152 3,153 8,156 4,158 5,161 15,165 4,166 13,169 3,171 7,174 11,177 2,178 19,181 2,182 1,183 6,185 10,188 5,189 15,191 3,193 7,195 11,198 1,199 16,202 2,204 9,206 12,209 3,210 12,215 5,217 15,220 1,221 10,223 2,224 1,225 2,227 13,230 1,231 14,236 1,239 14,243 3272,244 27.719,245 27.719,246 27.719,247 27.719,248 27.719,249 26.266,250 31.782,251 15.248,252 28.092,253 23.605,254 23.605,255 23.605,256 23.605,257 23.605,258 21.16,259 38.513,260 7.114,261 24.236,262 4.901,263 2.804,264 1.239,265 0.774,266 0.633,267 0.633,268 4.478,272 1,273 1141,274 4.899,275 234.647,276 341.315,278 549.923,279 279.151,280 163.647,281 189.76,282 1.671,283 65.084,285 0.75,286 0.5,287 0.83,288 0.9,289 1,290 0.83,291 1,292 0.83,293 91.5,294 506,295 4.918,296 4.488,297 8.218,298 4.831,299 3.879,300 4.609,301 2.228,302 16.267,303 3.688,304 4.689,305 3.941,306 7.675,307 4.343,308 3.363,309 4.004,310 1.983,311 13.792,312 3.314,313 4.396,314 3.705,315 7.023,316 4.303,317 3.336,318 3.476,319 1.901,320 12.051,321 3.206,322 4.07,323 3.556,324 6.46,325 3.889,326 2.911,327 3.231,328 1.465,329 9.883,330 2.851,331 3.87,332 3.48,333 6.431,334 3.728,335 2.736,336 3.002,337 0.93,338 9.711,339 2.71,340 3.745,341 3.027,342 6.358,343 3.546,344 2.577,345 2.933,346 0.8,347 9.171,348 2.514,349 3.564,350 2.955,351 5.955,352 3.467,353 2.496,354 2.82,355 0.583,356 8.26,357 2.391,358 3.527,359 2.653,360 5.636,361 3.255,362 2.278,363 2.594,364 0.186,365 7.296,366 2.226,367 3.308,368 2.564,369 5.298,370 3.065,371 2.068,372 2.517,374 5.886,375 2.057,376 3.136,377 2.247,378 5.106,379 2.923,380 1.95,381 2.145,383 5.512,384 1.89,385 2.935,386 2.165,387 4.723,388 2.718,389 1.697,390 1.925,392 4.749,393 1.72,394 2.725,395 1.901,396 4.689,397 2.445,398 1.476,399 1.793,401 4.409,402 1.428,403 2.641,404 1.858,405 4.634,406 2.433,407 1.452,408 1.665,410 3.923,411 1.415,412 2.548,413 1.548,414 4.367,415 2.278,416 1.285,417 1.52,419 3.433,420 1.268,421 2.403,422 1.502,423 4.219,424 2.181,425 1.184,426 1.356,428 2.889,429 1.176,430 19.667,431 0.468,432 1.558,433 0.037,434 41.25,435 0.982,436 12.5,437 0.298,438 28.75,439 0.685,440 61.869,441 1.473,442 48.133,443 0.566,444 38.114,445 0.907,446 6.897,447 0.164,448 13.061,449 0.311,450 0.195,451 0.051,452 0.417,454 0.773,455 1.492,456 0.856,457 1.222,458 0.636,459 1.072,460 0.619,461 1.171,462 0.801,463 1.014,464 0.503,465 0.939,466 0.964,467 1.164,468 0.963,469 1.115,470 0.877,471 1.046,472 1.352,473 1.027,474 1.004,475 0.958,476 1.286,477 0.926,478 1.48,479 0.986,480 1.153,481 0.975,482 1.496,483 1.004,484 1.475,485 1.118,486 1.216,487 1.096,488 1.572,489 1.115,490 1.4,491 0.983,492 1.211,493 1.023,494 1.455,495 1.08,496 0.93,497 0.901,498 0.95,499 0.945,500 0.967,501 0.954,502 11,503 0.487,504 7.333,505 5.701,506 5.291,507 2.747,508 1.729,509 1.259,510 0.701,511 0.546,512 27485,513 58480,514 2.1,515 50.6,516 15,517 13,518 1,520 3,521 1,522 9,523 1,524 1.816,525 1.895,526 3.54,527 0.725,530 128.25,531 1.509,532 3.605,533 5.171,534 5.636,535 5.777,536 5.777,537 2.906,538 5.154,539 5.369,540 3.739,541 3219.04,542 9.518,543 52950.3,546 544.798,547 1.742,548 5.285,549 0.229,550 0.009,551 0.095,552 0.064,553 0.056,554 0.032,555 0.022,556 0.019,557 0.011,558 0.01,559 0.547,560 0.33,561 0.75,562 0.942,563 233.652,564 -0.041,565 -0.17,566 0.069,567 -0.022,568 -0.057,569 0.031,570 0.236,571 0.037,572 0.16,573 0.071,574 0.086,575 0.097,576 0.082,577 -0.052,578 0.026,579 -0.075,581 -0.039,582 -0.031,583 -0.006,584 0.031,585 0.015,586 -0.014,587 0.033,588 -0.029,589 0.035,590 -0.101,591 -0.011,592 0.062,593 -0.059,594 -0.152,595 -0.094,596 -0.187,597 -0.106,598 -0.107,599 -0.147,600 -0.174,601 -0.018,602 -0.19,603 -0.066,604 -0.141,605 -0.123,606 0.024,607 0.009,608 0.037,609 0.016,610 0.036,611 0.026,612 3.239,613 7.421,614 0.667,615 39.753,616 0.999,617 1.134,618 2.595,619 6.734,620 0.633,621 3.892,622 4.357,623 4.762,624 5.165,625 5.493,626 5.717,627 5.935,628 6.138,629 6.236,630 6.333,631 7.388,632 0.596,633 577.8,634 3.892,635 5.525,636 6.457,637 7.424,638 8.379,639 9.35,640 10.315,641 11.289,642 12.258,643 13.233,644 5.9,647 1,649 3,650 1,653 2,654 4,656 1,658 2,660 10,669 85,670 13,671 1,672 48,673 91,674 32,675 8,676 3,677 3,679 7,680 18,684 4,685 8,686 2,687 9,688 11,689 21,690 4,691 3,692 3,695 3,699 43,700 9,701 3,702 10,705 5,706 0.286,707 5,710 1,711 1,712 3,713 4,715 4,716 2,717 1,718 1,719 1,720 2,727 1,729 1,730 1,731 2,734 5,737 42,739 1,740 7,741 1,742 1,744 7,745 3,746 2,749 5.9,750 1,752 3,753 1,755 22.167,756 16.383,757 8.708,758 5.654,759 2.126,760 1.214,761 0.941,762 6.69,763 12.048,764 4.043,765 4.627,766 5.192,767 5.758,768 6.225,769 6.555,770 6.947,771 7.321,772 7.471,773 7.721,774 0.875,775 89,776 16.084,777 7.686,778 7.726,779 30.816,780 28.225,781 2.226,782 93.5,785 470.844,786 123.26,787 44.169,789 129.118,792 123.26,793 599.962,794 44.169,795 43.697,796 41.143,797 80.16,798 100.549,799 28.854,800 13.915,801 459.073,803 470.844,804 167.429,805 129.118,807 353.133,808 193.146,809 53.683,810 96.354,811 71.075,814 470.844,815 173.287,816 123.26,817 470.844,818 42.086,819 90.546,820 34.796,821 129.118,822 470.844,823 173.287,824 123.26,825 0.614,826 0.383,827 0.223,828 0.131,829 44,830 21,831 0.055,832 5,833 6,834 1.393,835 4.641,836 504.473,837 0.429,838 27,839 222.477,841 28.483,842 9.865,843 4.038,844 2.387,845 156.502,846 8.448,848 3.403,850 2.579,852 77.48,853 767.391,854 56,855 42.206,858 -0.928,859 84.934,860 96.427,861 0.235,862 0.562,863 0.807,864 0.879,865 0.901,866 0.901,867 5.414,868 2.278,869 6.538,870 8.26,871 5.043,872 5.316,873 3.356,874 7.548,875 4.99,876 6.645,877 2.068,878 8.231,879 7.296,880 5.017,881 5.359,882 2.838,883 9.006,884 4.929,885 8.009,886 1.95,887 10.036,888 5.886,889 6.874,890 7.449,891 4.382,892 12.196,893 6.751,894 9.406,895 1.697,896 11.912,897 5.512,898 7.65,899 8.304,900 4.503,901 14.49,902 7.482,903 10.841,904 1.476,905 13.834,906 4.749,907 9.082,908 9.977,909 5.654,910 17.322,911 8.876,912 12.302,913 1.452,914 15.789,915 4.409,916 10.179,917 11.185,918 6.073,919 19.914,920 9.923,921 13.783,922 1.285,923 17.77,924 3.923,925 11.499,926 12.734,927 7.039,928 22.673,929 11.198,930 3.879,931 1.184,932 19.772,933 3.433,934 12.724,935 14.103,936 7.616,937 25.373,938 12.372,939 3.363,940 16.267,941 21.789,942 2.889,943 14.024,944 15.616,945 8.49,946 28.127,947 13.623,948 3.336,949 13.792,950 23.819,951 4.609,952 15.304,953 17.06,954 9.154,955 30.869,956 14.849,957 2.911,958 12.051,959 25.859,960 4.004,961 16.61,962 18.566,963 9.981,964 33.629,965 16.104,966 2.736,967 9.883,968 27.909,969 3.476,970 17.915,971 20.047,972 10.696,973 36.39,974 17.355,975 2.577,976 9.711,977 29.965,978 3.231,979 19.232,980 21.555,981 11.501,982 39.158,983 18.618,984 2.496,985 9.171,986 32.028,987 3.002,988 20.552,989 23.054,990 12.245,991 41.929,992 19.883,993 25082,994 36737,995 31.153,996 53.768,997 77.288,998 79.438,999 81.298,1000 76.159,1001 76.132,1002 86.916,1003 20.151,1004 252.058,1005 74.278,1006 5.918,1007 6.488,1008 7.745,1009 5.907,1010 5.879,1011 7.609,1012 3.882,1013 25.282,1014 5.688,1015 25.69,1016 1.61,1017 1.655,1018 1.694,1019 1.587,1020 1.586,1021 1.811,1022 0.42,1023 5.251,1024 1.547,1025 4.191,1026 4.224,1027 4.145,1028 4.114,1029 7.435,1030 4.117,1031 4.042,1032 4.077,1033 3.993,1034 3.856,1035 7.425,1036 3.881,1037 3.842,1038 3.893,1039 3.758,1040 3.691,1041 7.421,1042 3.698,1043 3.74,1044 3.793,1045 3.644,1046 3.585,1047 6.452,1048 3.588,1049 3.699,1050 3.764,1051 3.541,1052 3.574,1053 4.965,1054 3.557,1055 3.461,1056 3.518,1057 3.354,1058 3.352,1059 4.57,1060 3.345,1061 3.445,1062 3.509,1063 3.306,1064 3.248,1065 4.336,1066 3.25,1067 3.388,1068 3.441,1069 3.277,1070 3.198,1071 4.275,1072 3.214,1073 0.102,1074 0.093,1075 0.171,1076 0.101,1077 0.081,1078 4.918,1079 0.096,1080 4.488,1081 0.046,1082 8.218,1083 0.339,1084 4.831,1085 0.077,1086 3.879,1087 4.609,1088 2.228,1089 16.267,1090 3.688,1091 2.044,1092 2.02,1093 2.15,1094 2.134,1095 1.53,1096 2.142,1097 1.822,1098 1.776,1099 2.016,1100 2.012,1101 1.343,1102 2.004,1103 1.782,1104 1.74,1105 1.952,1106 1.952,1107 1.231,1108 1.947,1109 1.712,1110 1.665,1111 1.909,1112 1.894,1113 1.206,1114 1.9,1115 1.623,1116 1.568,1117 1.858,1118 1.813,1119 1.147,1120 1.827,1121 1.562,1122 1.512,1123 1.769,1124 1.751,1125 1.058,1126 1.779,1127 1.55,1128 1.482,1129 1.742,1130 1.739,1131 0.968,1132 1.744,1133 1.303,1134 1.225,1135 1.605,1136 1.581,1137 0.755,1138 1.587,1139 4.575,1140 6.004,1141 3.434,1142 7.633,1143 5.9,1144 9.365,1145 8.132,1146 11.156,1147 9.713,1151 12.141,1152 4.34,1153 3.041,1154 6.454,1156 -1.765,1157 5.238,1158 -3.757,1159 50.69,1160 128.25,1161 306.416,1162 439.514,1163 479.024,1164 491.024,1165 491.024,1166 116.779,1167 9.922,1168 118.21,1169 118.21,1170 39,1171 13.707,1172 3.807,1173 3.17,1174 56.032,1175 187,1176 165,1177 0.146,1178 299.433,1179 534.31,1180 722.375,1181 345397,1183 29.714,1184 0.707,1185 0.601,1186 29.714,1187 25.222,1188 19.958,1189 0.416,1190 0.326,1191 15.434,1192 19.218,1193 14.966,1194 12.314,1195 19.958,1196 15.638,1197 19.962,1198 0.259,1199 0.182,1200 19.962,1201 13.984,1202 17.804,1203 0.153,1204 0.092,1205 17.804,1206 10.673,1207 16.357,1208 0.094,1209 0.05,1210 16.357,1211 8.629,1212 14.159,1213 0.059,1214 0.027,1215 14.159,1216 6.58,1217 0.224,1218 125.196,1219 0.179,1220 36.199,1221 0.415,1222 250,1223 622.693,1224 277.851,1225 590.931,1226 819.18,1227 552,1228 318,1229 621.592,1230 349.903,1231 620.515,1232 951.25,1233 587,1234 4.097}
{0 CHEMBL18727,1 1.444,2 13.515,3 3.257,4 10.605,5 131.08,6 7.026,7 0.432,8 4.231,9 4.361,10 3.755,11 3.796,12 5.26,13 3.76,14 4.8,15 4.981,16 4.137,17 4.235,18 5.776,19 4.173,20 5.11,21 5.321,22 4.236,23 4.416,24 6.086,25 4.324,26 5.223,27 5.457,28 4.183,29 4.422,30 6.192,31 4.31,32 5.197,33 5.448,34 4.104,35 4.348,36 6.192,37 4.221,38 5.135,39 5.39,40 4.023,41 4.248,42 6.11,43 4.131,44 5.079,45 5.343,46 3.928,47 4.138,48 6.095,49 4.027,50 4.9,51 5.137,52 3.849,53 4.049,54 5.948,55 3.936,56 0.052,57 0.929,58 13.757,59 5.798,60 9.79,61 7.983,62 0.26,63 1.558,64 25.881,65 9.979,66 29.226,67 14.151,68 0.357,69 1.989,70 36.711,71 13.774,72 50.636,73 19.393,74 0.499,75 2.118,76 42.601,77 15.125,78 70.401,79 21.319,80 0.525,81 2.026,82 41.89,83 14.964,84 90.416,85 21.482,86 0.379,87 1.895,88 39.646,89 13.382,90 64.321,91 19.278,92 0.557,93 1.737,94 38.506,95 12.164,96 75.799,97 17.388,98 0.326,99 1.488,100 30.924,101 11.129,102 57.358,103 15.619,104 17,105 53,106 0.23,107 0.584,108 0.786,109 0.871,110 0.887,111 0.887,112 3.532,113 0.944,114 -3.58,115 -3.55,116 -3.39,117 42.9,118 1,119 2,120 1,121 1,122 2,124 2,129 1,130 1,132 8,133 4,138 1,139 1,141 2,150 16,153 4,156 2,158 6,161 19,166 5,169 1,170 1,171 6,174 16,177 1,178 5,181 1,183 5,185 11,188 1,189 4,191 2,193 6,195 6,199 8,204 7,206 3,209 1,210 6,213 1,215 5,217 4,221 4,223 1,224 1,225 4,227 7,231 6,236 4,239 7,243 1976,244 22.43,245 22.43,246 22.43,247 22.43,248 22.43,249 20.125,250 22.84,251 13.119,252 22.659,253 18.265,254 18.265,255 18.265,256 18.265,257 18.265,258 14.631,259 24.863,260 6.243,261 18.584,262 4.533,263 2.309,264 1.04,265 0.5,266 0.405,267 0.405,268 4.24,272 1,273 1001,274 4.183,275 64.994,276 329.791,278 222.705,279 235.846,280 136.018,282 2.165,283 28.608,285 1,286 1,287 1,288 0.8,289 0.5,290 1,291 1,292 0.9,293 70,294 446,295 4.718,296 3.822,297 7.023,298 4.339,299 3.351,300 4.634,301 2.004,302 12.052,303 3.313,304 4.195,305 3.662,306 6.433,307 3.925,308 2.942,309 3.534,310 1.937,311 9.893,312 2.892,313 3.955,314 3.485,315 6.045,316 3.729,317 2.748,318 3.445,319 0.916,320 8.587,321 2.688,322 3.892,323 3.019,324 5.792,325 3.526,326 2.528,327 3.148,328 0.383,329 7.699,330 2.52,331 3.714,332 2.72,333 5.636,334 3.468,335 2.463,336 2.917,337 0.18,338 7.295,339 2.464,340 3.546,341 2.451,342 5.339,343 3.255,344 2.278,345 2.82,346 0.172,347 6.961,348 2.226,349 3.31,350 2.229,351 5.106,352 2.925,353 1.952,354 2.54,356 5.884,357 1.892,358 2.946,359 2.094,360 4.636,361 2.609,362 1.635,363 2.109,365 4.417,366 1.591,367 2.927,368 1.983,369 4.362,370 2.46,371 1.476,372 1.995,374 4.155,375 1.449,376 2.686,377 1.693,378 3.866,379 2.439,380 1.463,381 1.73,383 3.262,384 1.419,385 2.633,386 1.643,387 3.86,388 2.239,389 1.248,390 1.633,392 2.934,393 1.234,394 2.5,395 1.365,396 3.629,397 2.127,398 1.13,399 1.5,401 2.756,402 1.119,403 2.39,404 1.28,405 3.485,406 2,407 1,408 1.328,410 2.136,411 1,412 2.239,413 1,414 3.247,415 1.814,416 0.85,417 1.136,419 2.105,420 0.813,421 2.088,422 0.9,423 3.175,424 1.752,425 0.742,426 0.909,428 1.682,429 0.744,430 15.767,431 0.478,432 0.836,433 0.025,434 39.75,435 1.205,436 18.5,437 0.561,438 21.25,439 0.644,440 31.734,441 0.962,442 35.233,443 0.559,444 31.528,445 0.955,446 7.82,447 0.237,448 8.188,449 0.248,450 0.106,452 0.374,454 0.757,455 1.253,456 0.841,457 1.033,458 0.559,459 0.953,460 0.739,461 1.076,462 0.912,463 0.969,464 0.544,465 0.952,466 0.999,467 1.085,468 1.031,469 1.062,470 0.96,471 1.05,472 1.28,473 1.037,474 1.107,475 1.031,476 1.371,477 1.049,478 0.938,479 1.049,480 0.994,481 1.041,482 0.961,483 1.028,484 1.289,485 1.096,486 1.042,487 1.034,488 1.275,489 1.01,490 1.609,491 0.837,492 1.055,493 0.833,494 1.693,495 0.87,496 1.185,497 1.137,498 1.035,499 1.137,500 1.382,501 1.087,502 6,503 0.19,504 4,505 2.16,506 2.154,507 1.122,508 0.768,509 0.558,510 0.387,511 0.298,512 17280,513 38602,514 2.131,515 47.6,517 18,518 1,520 3,521 1,522 7,524 1.749,525 2,526 3.675,527 0.772,530 90.98,531 1.444,532 3.668,533 4.937,534 5.477,535 5.572,536 5.572,537 3.121,538 4.863,539 5.013,540 3.893,541 2055.29,542 8.763,543 31214.6,544 1,546 376.569,547 1.393,548 4.979,549 0.162,550 0.007,551 0.075,552 0.039,553 0.042,554 0.024,555 0.018,556 0.015,557 0.011,558 0.01,559 0.403,560 0.33,561 0.88,562 0.522,563 176.673,564 -0.042,565 -0.057,566 0.05,567 0.024,568 -0.034,569 0.045,570 0.07,571 0.06,572 0.018,573 0.044,574 0.038,575 0.03,576 -0.019,577 -0.033,578 -0.068,579 -0.064,580 -0.031,581 -0.071,582 -0.086,583 -0.037,584 -0.11,585 -0.056,586 -0.114,587 -0.083,588 0.119,589 -0.08,590 0.001,591 -0.067,592 0.121,593 -0.05,594 -0.088,595 -0.12,596 -0.028,597 -0.082,598 -0.051,599 -0.051,600 -0.107,601 0.128,602 -0.002,603 0.092,604 -0.085,605 0.064,606 0.047,607 -0.173,608 -0.03,609 -0.158,610 0.012,611 -0.115,612 1.916,613 6.098,614 0.667,615 36.823,616 0.993,617 1.124,618 2.351,619 5.525,620 0.664,621 3.638,622 3.989,623 4.304,624 4.605,625 4.89,626 5.037,627 5.263,628 5.442,629 5.568,630 5.649,631 7.926,632 0.625,633 442.61,634 3.638,635 5.198,636 6.071,637 6.967,638 7.861,639 8.766,640 9.672,641 10.585,642 11.499,643 12.418,644 6.3,647 1,649 2,650 1,653 2,654 9,656 1,658 3,660 16,669 63,670 19,671 2,672 37,673 67,674 27,675 14,676 4,677 8,678 2,679 5,680 13,684 1,685 2,686 1,687 4,688 18,689 9,690 1,691 3,692 2,693 1,695 3,699 30,700 5,701 3,702 6,705 4,706 0.4,707 2,710 1,712 1,713 4,715 2,716 2,717 1,719 2,723 1,724 1,727 1,731 2,734 2,737 33,740 4,741 2,744 3,745 1,749 3.2,752 2,755 16.5,756 11.617,757 7.139,758 3.874,759 3.232,760 1.38,761 1.004,762 6.092,763 11.728,764 3.892,765 4.474,766 5.06,767 5.646,768 6.169,769 6.482,770 6.942,771 7.364,772 7.61,773 7.933,774 0.889,775 56,776 12.311,777 5.383,778 7.646,779 23.907,780 20.526,781 2.146,782 70.833,785 317.82,786 147.704,787 55.931,789 50.29,792 147.704,793 368.11,794 55.931,795 17.222,796 45.302,797 94.334,798 59.699,799 35.225,800 13.915,801 306.049,803 317.82,804 203.636,805 50.29,807 235.422,808 132.688,810 74.037,811 120.122,812 9.476,814 317.82,815 106.221,816 147.704,817 317.82,818 36.149,819 114.68,820 52.807,821 50.29,822 317.82,823 106.221,824 147.704,825 0.588,826 0.35,827 0.188,828 0.104,829 27,830 12,831 0.09,832 6,833 4,834 1.318,835 4.449,836 313.428,837 0.364,838 21,839 162.465,841 21.936,842 9.165,843 4.355,844 2.4,845 89.436,846 18.452,848 3.375,850 3.711,852 52.807,853 571.745,854 48,855 25.621,856 2.116,858 0.945,859 62.549,860 70.81,861 0.242,862 0.614,863 0.826,864 0.916,865 0.932,866 0.932,867 5.153,868 1.635,869 6.066,870 5.884,871 4.673,872 5.162,873 2.777,874 6.913,875 4.641,876 6.353,877 1.476,878 7.646,879 4.417,880 4.29,881 4.956,882 2.221,883 7.877,884 4.256,885 7.662,886 1.463,887 9.329,888 4.155,889 6.297,890 7.33,891 3.756,892 11.024,893 6.237,894 9.005,895 1.248,896 11.071,897 3.262,898 6.746,899 8.001,900 3.823,901 12.846,902 6.684,903 10.384,904 1.13,905 12.854,906 2.934,907 8.223,908 9.856,909 4.954,910 15.525,911 8.139,912 11.789,913 1,914 14.664,915 2.756,916 9.058,917 10.965,918 5.3,919 17.716,920 8.968,921 13.216,922 0.85,923 16.494,924 2.136,925 10.332,926 12.615,927 6.233,928 20.247,929 10.225,930 3.351,931 0.742,932 18.341,933 2.105,934 11.35,935 13.946,936 6.725,937 22.601,938 11.234,939 2.942,940 12.052,941 20.201,942 1.682,943 12.551,944 15.516,945 7.549,946 25.088,947 12.421,948 2.748,949 9.893,950 22.072,951 4.634,952 13.656,953 16.955,954 8.123,955 27.512,956 13.517,957 2.528,958 8.587,959 23.953,960 3.534,961 14.838,962 18.497,963 8.886,964 29.99,965 14.686,966 2.463,967 7.699,968 25.841,969 3.445,970 15.986,971 19.986,972 9.506,973 32.446,974 15.823,975 2.278,976 7.295,977 27.737,978 3.148,979 17.166,980 21.519,981 10.235,982 34.924,983 16.992,984 1.952,985 6.961,986 29.638,987 2.917,988 18.336,989 23.032,990 10.882,991 37.395,992 18.151,993 15933,994 23907,995 24.967,996 41.83,997 57.013,998 57.666,999 57.641,1000 55.98,1001 55.988,1002 71.226,1003 11.184,1004 164.647,1005 55.09,1006 5.694,1007 5.822,1008 6.825,1009 5.388,1010 5.351,1011 7.634,1012 3.523,1013 19.706,1014 5.313,1015 14.803,1016 1.541,1017 1.559,1018 1.558,1019 1.513,1020 1.513,1021 1.925,1022 0.302,1023 4.45,1024 1.489,1025 4.186,1026 4.216,1027 4.146,1028 4.115,1029 7.433,1030 4.119,1031 3.929,1032 3.966,1033 3.85,1034 3.862,1035 7.423,1036 3.854,1037 3.846,1038 3.893,1039 3.775,1040 3.702,1041 4.975,1042 3.713,1043 3.702,1044 3.757,1045 3.615,1046 3.508,1047 4.752,1048 3.525,1049 3.465,1050 3.527,1051 3.357,1052 3.35,1053 4.439,1054 3.343,1055 3.422,1056 3.485,1057 3.314,1058 3.251,1059 4.276,1060 3.248,1061 3.292,1062 3.35,1063 3.155,1064 3.122,1065 4.214,1066 3.127,1067 3.221,1068 3.304,1069 3.058,1070 3.025,1071 4.041,1072 3.022,1073 0.128,1074 0.103,1075 0.19,1076 0.117,1077 0.091,1078 4.718,1079 0.125,1080 3.822,1081 0.054,1082 7.023,1083 0.326,1084 4.339,1085 0.09,1086 3.351,1087 4.634,1088 2.004,1089 12.052,1090 3.313,1091 2.043,1092 2.022,1093 2.129,1094 2.123,1095 1.433,1096 2.127,1097 1.921,1098 1.89,1099 2.058,1100 2.014,1101 1.23,1102 2.03,1103 1.773,1104 1.73,1105 1.915,1106 1.939,1107 1.123,1108 1.933,1109 1.654,1110 1.601,1111 1.848,1112 1.872,1113 1.011,1114 1.866,1115 1.538,1116 1.488,1117 1.723,1118 1.724,1119 0.94,1120 1.725,1121 1.409,1122 1.334,1123 1.688,1124 1.632,1125 0.87,1126 1.652,1127 1.26,1128 1.179,1129 1.569,1130 1.508,1131 0.658,1132 1.53,1133 1.101,1134 1.024,1135 1.371,1136 1.338,1137 0.475,1138 1.363,1139 4.317,1140 5.659,1141 2.398,1142 7.201,1143 4.727,1144 8.841,1145 6.862,1146 10.539,1147 3.821,1152 2.886,1153 5.856,1156 -0.612,1157 2.263,1159 39.364,1160 90.98,1161 231.108,1162 311.059,1163 345.059,1164 351.059,1165 351.059,1166 61.081,1167 8.496,1168 77.23,1169 77.23,1170 29,1171 12.929,1172 4.322,1173 3.585,1174 48.139,1175 156,1176 177,1177 0.147,1178 238.692,1179 416.34,1180 574.169,1181 67160,1183 22.949,1184 0.695,1185 0.579,1186 22.949,1187 19.098,1188 16.008,1189 0.433,1190 0.315,1191 11.525,1192 15.569,1193 11.211,1194 9.265,1195 16.008,1196 11.643,1197 14.644,1198 0.276,1199 0.173,1200 14.644,1201 9.187,1202 12.775,1203 0.175,1204 0.095,1205 12.775,1206 6.913,1207 10.725,1208 0.108,1209 0.052,1210 10.725,1211 5.128,1212 9.003,1213 0.068,1214 0.029,1215 9.003,1216 3.79,1217 0.236,1218 99.179,1219 0.2,1220 31.04,1221 0.389,1222 180,1223 442.115,1224 192.006,1225 434.695,1226 600.46,1227 408,1228 216,1229 443.019,1230 228.563,1231 452.885,1232 665.69,1233 428,1234 4.921}
{0 CHEMBL262125,1 1.717,2 23.788,3 3.082,4 9.501,5 203.068,6 8.054,7 0.411,8 4.61,9 4.738,10 4.272,11 4.165,12 5.769,13 4.128,14 5.118,15 5.286,16 4.613,17 4.537,18 6.29,19 4.466,20 5.381,21 5.585,22 4.674,23 4.661,24 6.511,25 4.59,26 5.444,27 5.651,28 4.75,29 4.698,30 6.599,31 4.612,32 5.481,33 5.69,34 4.704,35 4.699,36 6.695,37 4.626,38 5.493,39 5.714,40 4.627,41 4.696,42 6.606,43 4.6,44 5.485,45 5.715,46 4.578,47 4.631,48 6.668,49 4.534,50 5.409,51 5.645,52 4.477,53 4.553,54 6.591,55 4.449,56 0.135,57 1.456,58 18.264,59 8.023,60 22.201,61 9.962,62 0.63,63 2.276,64 38.827,65 14.21,66 59.379,67 17.953,68 0.825,69 2.699,70 50.209,71 16.672,72 110.157,73 21.717,74 0.795,75 2.806,76 59.687,77 19.655,78 118.596,79 24.423,80 1.112,81 2.872,82 58.061,83 18.389,84 150.108,85 23.627,86 0.752,87 2.832,88 58.174,89 20.38,90 110.237,91 26.485,92 1.036,93 2.741,94 61.412,95 18.992,96 161.886,97 24.886,98 1.047,99 2.491,100 59.894,101 19.019,102 155.142,103 24.493,104 52,105 75,106 0.252,107 0.596,108 0.773,109 0.86,110 0.893,111 0.897,112 3.972,113 0.992,114 -4.09,115 -4.03,116 -3.82,117 39.1,119 3,121 1,122 4,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 16,152 2,153 8,155 2,156 7,157 2,158 5,160 2,161 17,164 1,165 2,166 8,169 2,171 6,174 11,177 1,178 13,180 2,181 3,183 10,185 9,187 2,188 2,189 13,191 3,192 1,193 7,195 11,199 12,202 2,203 1,204 9,206 11,209 1,210 14,213 1,215 9,217 7,219 2,220 2,221 13,223 3,224 1,225 7,227 7,231 9,236 4,239 14,243 7910,244 34.982,245 34.982,246 34.982,247 34.982,248 34.982,249 31.198,250 44.866,251 21.28,252 35.891,253 27.716,254 27.716,255 27.716,256 27.716,257 27.716,258 21.867,259 61.023,260 10.239,261 29.115,262 4.807,263 2.456,264 1.246,265 0.65,266 0.429,267 0.4,268 4.671,273 2659,274 5.523,275 190.089,276 546.029,277 187.444,280 313.736,282 3.851,283 62.488,285 0.25,286 0.33,287 0.33,288 0.7,289 0.5,290 0.17,292 0.33,293 113,294 1237,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.164,305 3.906,306 6.31,307 3.78,308 2.798,309 3.791,310 2.062,311 9.331,312 2.744,313 4.119,314 3.616,315 5.941,316 3.731,317 2.763,318 3.696,319 1.987,320 8.334,321 2.706,322 4.049,323 3.573,324 5.679,325 3.645,326 2.744,327 3.53,328 1.907,329 7.971,330 2.503,331 3.89,332 3.532,333 5.675,334 3.552,335 2.581,336 3.173,337 1.653,338 7.965,339 2.44,340 3.707,341 3.188,342 5.31,343 3.409,344 2.413,345 2.935,346 1.2,347 6.826,348 2.394,349 3.657,350 3.022,351 5.137,352 3.369,353 2.368,354 2.913,355 0.85,356 6.103,357 2.355,358 3.633,359 2.801,360 5.038,361 3.15,362 2.241,363 2.828,364 0.488,365 6.076,366 2.125,367 3.524,368 2.752,369 5.027,370 3.144,371 2.149,372 2.747,373 0.324,374 5.986,375 2.028,376 3.394,377 2.741,378 4.848,379 2.962,380 1.992,381 2.664,382 0.219,383 5.475,384 1.924,385 3.158,386 2.279,387 4.608,388 2.76,389 1.793,390 2.345,391 0.149,392 4.831,393 1.745,394 3.044,395 2.26,396 4.338,397 2.641,398 1.765,399 2.153,400 0.129,401 4.342,402 1.532,403 2.957,404 2.189,405 4.201,406 2.542,407 1.558,408 2.116,409 0.03,410 3.529,411 1.511,412 2.776,413 1.899,414 4.003,415 2.472,416 1.542,417 1.896,419 3.31,420 1.426,421 2.667,422 1.752,423 3.713,424 2.317,425 1.331,426 1.736,428 3.09,429 1.316,430 25,431 0.481,432 1.188,433 0.023,434 66.25,435 1.274,436 32.5,437 0.625,438 33.75,439 0.649,440 52.803,441 1.015,442 56,443 0.609,444 61.714,445 1.187,446 12.89,447 0.248,448 12.266,449 0.236,450 0.105,452 0.296,454 0.819,455 1.258,456 0.767,457 0.925,458 0.659,459 0.893,460 0.547,461 1.108,462 1.023,463 1.148,464 0.515,465 1.035,466 1.134,467 1.013,468 0.938,469 0.916,470 1.1,471 0.96,472 1.113,473 1.098,474 0.925,475 1.015,476 1.135,477 0.984,478 1.218,479 1,480 1.018,481 0.969,482 1.185,483 1.001,484 1.036,485 1.085,486 0.941,487 1.05,488 1.046,489 1.067,490 1.256,491 1.014,492 1.013,493 0.993,494 1.251,495 1.015,496 1.082,497 0.907,498 1.026,499 0.992,500 1.135,501 0.956,502 10,503 0.299,504 4.222,505 3.882,506 2.631,507 1.744,508 1.165,509 0.759,510 0.586,511 0.405,512 68376,513 203182,514 2.048,515 43.5,517 24,518 2,520 8,521 4,522 2,524 1.853,525 1.926,526 4.404,527 4.301,530 157.954,531 1.717,532 4.067,533 5.278,534 5.874,535 6.094,536 6.124,537 3.876,538 5.133,539 5.668,540 4.715,541 6251.58,542 10.046,543 152304,546 600.168,547 1.365,548 5.635,549 0.179,550 0.005,551 0.056,552 0.049,553 0.032,554 0.022,555 0.016,556 0.011,557 0.009,558 0.007,559 0.386,560 0.17,561 0.38,562 0.718,563 330.015,564 -0.113,565 -0.054,566 0.04,567 0.066,568 -0.085,569 0.052,570 0.241,571 0.034,572 -0.025,573 -0.083,574 0.109,575 -0.059,576 -0.102,577 0.028,578 -0.042,579 0.017,580 -0.112,581 -0.01,582 -0.044,583 -0.097,584 0.056,585 -0.018,586 -0.031,587 -0.003,588 -0.054,589 0.019,590 -0.092,591 -0.038,592 -0.022,593 -0.058,594 -0.043,595 -0.123,596 -0.042,597 -0.105,598 -0.031,599 -0.078,600 -0.094,601 -0.062,602 -0.056,603 -0.048,604 -0.027,605 -0.042,606 0.047,607 0.023,608 -0.017,609 -0.003,610 0.067,611 0.043,612 2.51,613 6.431,614 0.538,615 101.864,616 1.008,617 1.129,618 2.858,619 8.166,620 0.68,621 4.043,622 4.331,623 4.543,624 4.796,625 4.977,626 5.081,627 5.198,628 5.268,629 5.318,630 5.389,631 13.71,632 0.645,633 741,634 4.043,635 5.572,636 6.395,637 7.255,638 8.098,639 8.966,640 9.82,641 10.695,642 11.557,643 12.436,644 10.9,645 2,649 5,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 92,670 29,671 3,672 56,673 96,674 36,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,687 3,688 27,689 9,691 6,692 4,694 2,695 6,699 40,700 14,701 8,702 16,703 2,705 10,706 0.8,707 4,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 1,737 52,738 2,740 7,741 4,743 1,744 1,745 1,747 1,749 4.3,752 4,755 27,756 16.217,757 11.583,758 5.131,759 4.115,760 1.461,761 0.98,762 14.476,763 13.044,764 4.311,765 4.834,766 5.306,767 5.841,768 6.278,769 6.483,770 6.814,771 7.073,772 7.292,773 7.575,774 1,775 79,776 19.323,777 8.196,778 7.888,779 36.216,780 29.038,781 2.388,782 124.167,785 376.675,786 257.722,787 191.318,789 100.58,791 63.497,792 194.224,793 477.255,794 191.318,795 8.396,796 154.576,797 130.84,798 134.236,799 51.899,800 29.717,801 416.63,803 376.675,804 385.543,805 100.58,806 63.497,807 353.133,808 124.122,810 191.405,811 177.353,812 16.786,813 63.497,814 376.675,815 291.898,816 257.722,817 376.675,818 118.485,819 142.361,820 72.043,821 216.731,822 376.675,823 291.898,824 257.722,825 0.57,826 0.317,827 0.174,828 0.094,829 30,830 15,831 0.156,832 15,833 1,834 1.071,835 6.105,836 523.39,837 0.071,838 28,839 286.423,840 2,841 38.782,842 19.411,843 11.793,845 291.898,846 25.755,847 4.325,849 1.363,850 4.797,852 137.837,853 926.295,854 73.5,855 51.372,857 8.629,858 -0.745,859 92.734,860 103.889,861 0.263,862 0.623,863 0.809,864 0.9,865 0.934,866 0.939,867 5.536,868 2.241,869 6.358,870 6.103,871 5.017,872 5.523,873 3.942,874 7.117,875 4.932,876 6.716,877 2.149,878 7.881,879 6.076,880 4.511,881 5.19,882 2.831,883 7.91,884 4.417,885 7.997,886 1.992,887 9.505,888 5.986,889 6.555,890 7.591,891 5.725,892 11.027,893 6.398,894 9.31,895 1.793,896 11.191,897 5.475,898 6.868,899 8.056,900 4.423,901 12.703,902 6.697,903 10.653,904 1.765,905 12.919,906 4.831,907 8.364,908 9.93,909 7.903,910 15.343,911 8.145,912 12.018,913 1.558,914 14.679,915 4.342,916 9.079,917 10.792,918 5.879,919 17.418,920 8.839,921 13.4,922 1.542,923 16.463,924 3.529,925 10.347,926 12.43,927 10.21,928 19.902,929 10.071,930 3.254,931 1.331,932 18.268,933 3.31,934 11.27,935 13.512,936 7.295,937 22.164,938 10.968,939 2.798,940 11.429,941 20.088,942 3.09,943 12.447,944 15.029,945 12.56,946 24.601,947 12.113,948 2.763,949 9.331,950 21.923,951 4.133,952 13.479,953 16.239,954 8.698,955 26.95,956 13.118,957 2.744,958 8.334,959 23.769,960 3.791,961 14.624,962 17.694,963 14.924,964 29.375,965 14.234,966 2.581,967 7.971,968 25.625,969 3.696,970 15.714,971 18.98,972 10.095,973 31.767,974 15.295,975 2.413,976 7.965,977 27.49,978 3.53,979 16.855,980 20.403,981 17.292,982 34.191,983 16.408,984 2.368,985 6.826,986 29.363,987 3.173,988 17.976,989 21.733,990 11.493,991 36.604,992 17.5,993 64735,994 111815,995 37.274,996 62.591,997 83.14,998 88.507,999 84.347,1000 81.69,1001 81.782,1002 105.091,1003 28.54,1004 224.133,1005 78.175,1006 5.525,1007 6.25,1008 6.675,1009 5.366,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 28.59,1016 1.485,1017 1.58,1018 1.506,1019 1.459,1020 1.46,1021 1.877,1022 0.51,1023 4.002,1024 1.396,1025 4.049,1026 4.082,1027 4.235,1028 3.966,1029 7.437,1030 3.968,1031 3.943,1032 3.975,1033 4.001,1034 3.872,1035 7.428,1036 3.868,1037 3.863,1038 3.892,1039 3.883,1040 3.844,1041 7.426,1042 3.772,1043 3.829,1044 3.862,1045 3.832,1046 3.764,1047 7.424,1048 3.758,1049 3.755,1050 3.81,1051 3.758,1052 3.584,1053 5.336,1054 3.582,1055 3.64,1056 3.687,1057 3.625,1058 3.446,1059 4.878,1060 3.456,1061 3.575,1062 3.637,1063 3.572,1064 3.418,1065 4.804,1066 3.39,1067 3.467,1068 3.546,1069 3.45,1070 3.278,1071 4.738,1072 3.279,1073 0.081,1074 0.076,1075 0.123,1076 0.075,1077 0.058,1078 4.553,1079 0.074,1080 4.25,1081 0.058,1082 6.873,1083 0.204,1084 4.224,1085 0.056,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.041,1095 1.234,1096 2.047,1097 1.924,1098 1.897,1099 2.037,1100 2.029,1101 1.17,1102 2.032,1103 1.837,1104 1.806,1105 1.961,1106 1.947,1107 1.168,1108 1.948,1109 1.713,1110 1.658,1111 1.928,1112 1.92,1113 1.107,1114 1.925,1115 1.595,1116 1.556,1117 1.758,1118 1.824,1119 1.036,1120 1.802,1121 1.576,1122 1.529,1123 1.716,1124 1.775,1125 0.855,1126 1.782,1127 1.46,1128 1.411,1129 1.618,1130 1.754,1131 0.825,1132 1.724,1133 1.449,1134 1.398,1135 1.585,1136 1.638,1137 0.732,1138 1.648,1139 4.727,1140 6.023,1141 2.398,1142 7.488,1143 4.727,1144 9.036,1145 6.843,1146 10.633,1147 1.655,1150 10.737,1152 3.146,1153 11.181,1155 1.638,1156 -1.177,1157 1.491,1159 59.349,1160 157.954,1161 374.191,1162 485.533,1163 540.393,1164 560.658,1165 563.413,1166 141.947,1167 8.929,1168 209.29,1169 262.83,1170 30,1171 12.977,1172 4.907,1173 4.209,1174 97.365,1175 431,1176 486,1177 0.104,1178 375.552,1179 663.26,1180 908.106,1181 151870,1183 36.873,1184 0.709,1185 0.58,1186 37.581,1187 30.136,1188 25.156,1189 0.449,1190 0.331,1191 16.431,1192 23.304,1193 15.888,1194 13.177,1195 26.11,1196 18.513,1197 22.407,1198 0.299,1199 0.181,1200 23.482,1201 13.592,1202 17.479,1203 0.188,1204 0.102,1205 18.693,1206 9.469,1207 14.599,1208 0.122,1209 0.057,1210 15.913,1211 6.828,1212 11.232,1213 0.078,1214 0.032,1215 12.339,1216 4.561,1217 0.176,1218 166.935,1219 0.164,1220 46.146,1221 0.256,1222 262,1223 809.199,1224 331.817,1225 826.67,1226 1105.59,1227 770,1228 299,1229 763.88,1230 358.034,1231 796.617,1232 1155.68,1233 747,1234 6.481}
{0 CHEMBL265987,1 1.511,2 24.618,3 4.921,4 24.219,5 212.27,6 7.154,7 0.4,8 4.721,9 4.848,10 4.246,11 4.246,12 5.789,13 4.221,14 5.276,15 5.458,16 4.581,17 4.636,18 6.329,19 4.58,20 5.583,21 5.802,22 4.681,23 4.805,24 6.603,25 4.726,26 5.632,27 5.865,28 4.685,29 4.798,30 6.689,31 4.716,32 5.627,33 5.85,34 4.697,35 4.815,36 6.738,37 4.736,38 5.642,39 5.871,40 4.691,41 4.813,42 6.758,43 4.723,44 5.645,45 5.886,46 4.564,47 4.748,48 6.697,49 4.652,50 5.55,51 5.794,52 4.509,53 4.645,54 6.674,55 4.553,56 0.043,57 1.525,58 22.169,59 9.367,60 12.654,61 12.72,62 0.549,63 2.457,64 41.973,65 15.506,66 52.94,67 21.815,68 0.733,69 3.078,70 60.369,71 20.726,72 99.847,73 29.308,74 0.827,75 3.136,76 64.638,77 21.655,78 118.14,79 30.827,80 0.931,81 3.143,82 63.884,83 21.366,84 137.83,85 30.248,86 0.809,87 3.16,88 64.646,89 22.47,90 140.137,91 32.039,92 0.813,93 3.055,94 66.67,95 21.399,96 131.442,97 30.345,98 0.958,99 2.74,100 61.085,101 19.838,102 151.888,103 28.138,104 26,105 80,106 0.217,107 0.518,108 0.72,109 0.853,110 0.889,111 0.893,112 4.027,113 0.948,114 -4.68,115 -4.59,116 -4.32,117 41.3,119 6,121 1,122 6,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 21,152 1,153 12,156 5,157 1,158 6,161 22,165 2,166 11,169 2,171 3,174 13,177 1,178 16,181 3,182 1,183 8,185 13,188 3,189 11,191 2,193 7,195 16,198 2,199 14,202 2,203 1,204 13,206 14,210 17,215 8,217 8,220 1,221 17,223 3,224 1,225 8,227 10,231 8,234 1,236 2,239 17,243 9109,244 37.551,245 37.551,246 37.551,247 37.551,248 37.551,249 33.95,250 48.689,251 22.929,252 38.091,253 29.716,254 29.716,255 29.716,256 29.716,257 29.716,258 24.1,259 66.773,260 11.041,261 30.518,262 5.19,263 3.087,264 1.675,265 0.749,266 0.495,267 0.469,268 4.736,273 2957,274 5.196,276 1029.31,277 199.435,280 333.414,282 3.885,283 59.369,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 118.5,294 1354,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.062,302 11.429,303 3.155,304 4.119,305 3.622,306 6.31,307 3.78,308 2.798,309 3.696,310 1.987,311 9.331,312 2.744,313 4.086,314 3.568,315 5.941,316 3.732,317 2.755,318 3.676,319 1.907,320 8.334,321 2.706,322 4.049,323 3.532,324 5.684,325 3.72,326 2.744,327 3.53,328 1.653,329 8.011,330 2.663,331 3.89,332 3.188,333 5.679,334 3.552,335 2.581,336 3.173,337 0.916,338 7.966,339 2.504,340 3.716,341 3.06,342 5.327,343 3.424,344 2.462,345 2.939,346 0.86,347 6.945,348 2.406,349 3.648,350 2.823,351 5.311,352 3.392,353 2.427,354 2.829,355 0.85,356 6.828,357 2.337,358 3.564,359 2.801,360 5.138,361 3.349,362 2.347,363 2.741,364 0.488,365 6.112,366 2.288,367 3.519,368 2.741,369 5.037,370 3.137,371 2.141,372 2.712,373 0.324,374 5.972,375 2.119,376 3.393,377 2.33,378 4.851,379 2.97,380 2.015,381 2.661,382 0.219,383 5.573,384 1.923,385 3.238,386 2.26,387 4.842,388 2.958,389 1.987,390 2.346,391 0.172,392 5.46,393 1.912,394 3.156,395 2.189,396 4.604,397 2.752,398 1.76,399 2.343,400 0.149,401 4.823,402 1.738,403 2.957,404 1.899,405 4.201,406 2.571,407 1.594,408 2.116,409 0.03,410 3.529,411 1.55,412 2.776,413 1.832,414 4.003,415 2.54,416 1.551,417 1.896,419 3.325,420 1.53,421 2.721,422 1.686,423 3.715,424 2.393,425 1.417,426 1.788,428 3.09,429 1.379,430 25.967,431 0.472,432 1.112,433 0.02,434 68.5,435 1.245,436 33,437 0.6,438 35.5,439 0.645,440 55.715,441 1.013,442 59.833,443 0.575,444 66.218,445 1.204,446 13.737,447 0.25,448 13.081,449 0.238,450 0.071,452 0.281,454 0.748,455 1.372,456 0.828,457 1.129,458 0.55,459 1.004,460 0.757,461 1.127,462 0.957,463 1.059,464 0.553,465 1.034,466 1.098,467 1.056,468 1.014,469 0.997,470 0.996,471 0.991,472 1.102,473 1.039,474 0.963,475 0.974,476 1.096,477 0.952,478 1.142,479 1.025,480 1.026,481 0.98,482 1.132,483 0.982,484 0.899,485 1.138,486 0.952,487 1.094,488 0.957,489 1.04,490 1.401,491 1.016,492 1.102,493 0.983,494 1.309,495 0.993,496 1.215,497 0.947,498 0.988,499 0.933,500 1.175,501 0.93,502 9.5,503 0.262,504 4.222,505 3.75,506 2.639,507 1.719,508 1.167,509 0.832,510 0.552,511 0.405,512 83367,513 196218,514 2.097,515 47.1,516 2,517 32,518 1,520 4,521 4,522 4,523 2,524 1.865,525 2,526 4.465,527 1.227,530 157.134,531 1.511,532 3.613,533 5.026,534 5.951,535 6.205,536 6.232,537 3.899,538 5.527,539 5.753,540 4.766,541 7076.79,542 10.21,543 180987,546 696.846,547 1.241,548 5.729,549 0.158,550 0.004,551 0.053,552 0.044,553 0.031,554 0.02,555 0.014,556 0.011,557 0.008,558 0.007,559 0.35,561 0.5,562 0.42,563 354.72,564 -0.038,565 -0.144,566 0.047,567 -0.036,568 -0.024,569 0.01,570 0.117,571 0.023,572 -0.021,573 -0.039,574 0.064,575 -0.052,576 -0.053,577 -0.009,578 -0.03,579 -0.008,580 -0.048,581 -0.016,582 -0.002,583 -0.029,584 0.039,585 0.003,586 0.002,587 0.021,588 -0.005,589 0.005,590 -0.026,591 -0.002,592 0.016,593 -0.014,594 0.116,595 -0.132,596 0.036,597 -0.1,598 0.115,599 -0.052,600 -0.174,601 -0.034,602 -0.078,603 -0.023,604 -0.098,605 -0.031,606 0.024,607 0.016,608 0.04,609 0.031,610 0.089,611 0.037,612 2.51,613 6.462,614 0.636,615 107.315,616 0.999,617 1.127,618 3.446,619 11.873,620 0.657,621 4.111,622 4.394,623 4.625,624 4.875,625 5.094,626 5.17,627 5.283,628 5.394,629 5.434,630 5.501,631 14.293,632 0.623,633 743.99,634 4.111,635 5.638,636 6.466,637 7.323,638 8.168,639 9.033,640 9.887,641 10.759,642 11.62,643 12.497,644 6.7,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 104,670 29,671 4,672 60,673 109,674 43,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 6,688 29,689 14,691 5,692 4,694 1,695 5,699 49,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 55,740 12,741 4,742 1,744 1,745 2,749 4.8,752 4,754 1,755 27.5,756 18.433,757 12.25,758 6.397,759 4.296,760 1.463,761 0.978,762 14.471,763 13.578,764 4.357,765 4.86,766 5.333,767 5.851,768 6.349,769 6.509,770 6.836,771 7.151,772 7.36,773 7.633,774 0.938,775 86,776 20.54,777 8.748,778 7.752,779 39.255,780 32.066,781 2.252,782 123.833,785 529.7,786 244.466,787 95.077,789 111.58,792 244.466,793 641.279,794 95.077,795 8.396,796 105.495,797 161.096,798 117.45,799 54.409,800 16.047,801 517.928,803 529.7,804 339.544,805 111.58,807 459.073,808 182.206,810 125.405,811 214.138,814 529.7,815 206.657,816 244.466,817 529.7,818 74.974,819 175.741,820 72.043,821 128.365,822 529.7,823 206.657,824 244.466,825 0.568,826 0.322,827 0.177,828 0.098,829 33,830 15,831 0.138,832 15,833 1,834 1.057,835 6.403,836 571.434,837 0.057,838 35,839 307.975,841 39.673,842 20.061,843 11.738,845 206.657,846 32.108,850 5.488,852 72.043,853 980.823,854 77,855 51.666,857 4.717,858 -0.815,859 103.905,860 117.254,861 0.225,862 0.539,863 0.75,864 0.888,865 0.926,866 0.93,867 5.583,868 2.347,869 6.418,870 6.828,871 5.081,872 5.549,873 3.422,874 7.172,875 5.03,876 6.744,877 2.141,878 7.936,879 6.112,880 4.511,881 5.156,882 2.802,883 7.943,884 4.441,885 8.015,886 2.015,887 9.554,888 5.972,889 6.613,890 7.587,891 4.336,892 11.068,893 6.506,894 9.317,895 1.987,896 11.235,897 5.573,898 6.878,899 7.998,900 4.407,901 12.728,902 6.748,903 10.652,904 1.76,905 12.959,906 5.46,907 8.413,908 9.908,909 5.506,910 15.368,911 8.251,912 12.009,913 1.594,914 14.716,915 4.823,916 9.094,917 10.722,918 5.872,919 17.433,920 8.905,921 13.385,922 1.551,923 16.496,924 3.529,925 10.384,926 12.394,927 6.779,928 19.915,929 10.166,930 3.254,931 1.417,932 18.297,933 3.325,934 11.286,935 13.438,936 7.292,937 22.172,938 11.037,939 2.798,940 11.429,941 20.114,942 3.09,943 12.472,944 14.983,945 8.102,946 24.607,947 12.196,948 2.755,949 9.331,950 21.945,951 4.133,952 13.492,953 16.164,954 8.696,955 26.954,956 13.183,957 2.744,958 8.334,959 23.788,960 3.696,961 14.64,962 17.639,963 9.455,964 29.378,965 14.303,966 2.581,967 8.011,968 25.641,969 3.676,970 15.723,971 18.905,972 10.095,973 31.768,974 15.352,975 2.462,976 7.966,977 27.504,978 3.53,979 16.864,980 20.342,981 10.826,982 34.193,983 16.463,984 2.427,985 6.945,986 29.374,987 3.173,988 17.982,989 21.66,990 11.493,991 36.604,992 17.547,993 77223,994 119015,995 40.739,996 68.302,997 88.419,998 91.332,999 89.59,1000 87.209,1001 87.182,1002 109.779,1003 23.234,1004 237.804,1005 85.079,1006 5.553,1007 5.906,1008 6.675,1009 5.294,1010 5.254,1011 7.133,1012 3.581,1013 19.038,1014 5.155,1015 24.256,1016 1.474,1017 1.522,1018 1.493,1019 1.453,1020 1.453,1021 1.83,1022 0.387,1023 3.963,1024 1.418,1025 4.057,1026 4.092,1027 4.009,1028 3.969,1029 7.437,1030 3.973,1031 3.96,1032 3.996,1033 3.895,1034 3.878,1035 7.429,1036 3.877,1037 3.933,1038 3.966,1039 3.869,1040 3.854,1041 7.426,1042 3.853,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.849,1051 3.663,1052 3.654,1053 4.888,1054 3.646,1055 3.748,1056 3.803,1057 3.649,1058 3.55,1059 4.838,1060 3.563,1061 3.64,1062 3.688,1063 3.576,1064 3.424,1065 4.738,1066 3.456,1067 3.582,1068 3.643,1069 3.468,1070 3.392,1071 4.681,1072 3.397,1073 0.076,1074 0.065,1075 0.115,1076 0.07,1077 0.054,1078 4.553,1079 0.069,1080 3.906,1081 0.034,1082 6.873,1083 0.19,1084 4.224,1085 0.053,1086 3.254,1087 4.133,1088 2.062,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.897,1099 2.057,1100 2.041,1101 1.203,1102 2.047,1103 1.924,1104 1.894,1105 2.036,1106 2.029,1107 1.18,1108 2.031,1109 1.837,1110 1.806,1111 1.985,1112 1.953,1113 1.169,1114 1.963,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.13,1120 1.948,1121 1.686,1122 1.628,1123 1.903,1124 1.904,1125 1.072,1126 1.906,1127 1.58,1128 1.531,1129 1.807,1130 1.825,1131 1.036,1132 1.805,1133 1.553,1134 1.492,1135 1.715,1136 1.773,1137 0.825,1138 1.779,1139 4.796,1140 6.089,1142 7.564,1143 2.708,1144 9.122,1145 5.46,1146 10.726,1147 1.659,1152 9.142,1153 11.144,1154 5.92,1156 -1.177,1157 3.981,1159 64.787,1160 157.134,1161 375.756,1162 522.688,1163 618.93,1164 645.336,1165 648.091,1166 137.604,1167 9.281,1168 144.47,1169 144.47,1170 37,1171 13.039,1172 4.907,1173 4.17,1174 94.355,1175 479,1176 501,1177 0.09,1178 396.656,1179 710.77,1180 959.601,1181 248880,1183 38.409,1184 0.698,1185 0.568,1186 38.409,1187 31.26,1188 26.818,1189 0.447,1190 0.316,1191 18.722,1192 25.878,1193 18.344,1194 15.198,1195 26.818,1196 18.964,1197 23.517,1198 0.294,1199 0.172,1200 23.517,1201 13.772,1202 19.057,1203 0.189,1204 0.095,1205 19.057,1206 9.547,1207 15.88,1208 0.122,1209 0.052,1210 15.88,1211 6.744,1212 12.7,1213 0.078,1214 0.029,1215 12.7,1216 4.621,1217 0.153,1218 167.491,1219 0.157,1220 48.225,1221 0.221,1222 280,1223 800.944,1224 306.721,1225 770.795,1226 1042.02,1227 722,1228 321,1229 748.352,1230 346.785,1231 756.262,1232 1100.3,1233 713,1234 6.721}
{0 CHEMBL278032,1 1.548,2 15.609,3 4.242,4 17.992,5 171.688,6 6.987,7 0.333,8 4.571,9 4.7,10 4.047,11 4.045,12 5.688,13 4.021,14 5.124,15 5.307,16 4.418,17 4.435,18 6.279,19 4.38,20 5.449,21 5.661,22 4.446,23 4.595,24 6.514,25 4.509,26 5.57,27 5.824,28 4.521,29 4.59,30 6.659,31 4.515,32 5.525,33 5.737,34 4.614,35 4.558,36 6.939,37 4.522,38 5.555,39 5.777,40 4.638,41 4.64,42 6.784,43 4.591,44 5.65,45 5.857,46 4.716,47 4.729,48 6.868,49 4.686,50 5.745,51 5.962,52 4.739,53 4.803,54 7.002,55 4.744,56 0.105,57 1.28,58 20.149,59 8.28,60 21.674,61 11.338,62 0.645,63 1.994,64 37.342,65 13.703,66 93.329,67 19.652,68 0.973,69 2.476,70 54.357,71 17.541,72 137.693,73 25.139,74 0.992,75 2.604,76 63.291,77 17.899,78 162.87,79 27.371,80 1.875,81 2.517,82 61.108,83 15.717,84 314.755,85 23.612,86 1.267,87 2.652,88 61.703,89 17.995,90 217.807,91 26.34,92 1.245,93 2.854,94 67.814,95 19.88,96 211.649,97 28.413,98 1.755,99 3.087,100 75.579,101 21.498,102 295.179,103 31.015,104 142,105 66,106 0.23,107 0.54,108 0.717,109 0.825,110 0.855,111 0.855,112 3.853,113 0.963,114 -2.77,115 -2.79,116 -2.7,117 37.4,118 5,119 4,120 1,122 1,124 3,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 16,151 1,152 1,153 4,156 6,158 8,161 20,166 3,169 3,170 3,171 9,172 1,174 10,178 10,179 1,181 1,182 1,183 11,184 1,185 4,188 5,189 7,190 1,191 6,192 2,193 9,195 4,198 1,199 9,202 4,203 3,204 8,205 1,206 7,207 2,210 17,213 3,214 1,215 14,217 11,218 2,220 3,221 14,222 1,223 3,225 11,227 11,228 4,230 1,231 14,234 3,235 2,236 12,237 1,239 15,240 3,243 5402,244 29.584,245 29.584,246 29.584,247 29.584,248 29.584,249 26.924,250 27.102,251 17.673,252 29.92,253 23.736,254 23.736,255 23.736,256 23.736,257 23.736,258 19.604,259 26.659,260 8.462,261 24.222,262 4.96,263 2.876,264 1.684,265 0.958,266 0.756,267 0.756,268 4.527,273 1485,274 6.708,275 137.102,276 375.575,278 253.057,282 2.391,283 72.314,285 0.25,286 0.33,287 0.33,288 0.7,289 1,290 0.17,292 0.4,293 101.5,294 718,295 4.53,296 3.862,297 6.543,298 4.089,299 3.139,300 4.474,301 2.341,302 10.34,303 3.049,304 4.171,305 3.801,306 6.447,307 4.059,308 3.084,309 3.445,310 2.189,311 10.157,312 2.927,313 4.097,314 3.707,315 6.207,316 3.924,317 2.939,318 3.289,319 1.996,320 9.239,321 2.885,322 3.965,323 3.603,324 6.055,325 3.771,326 2.783,327 3.219,328 1.954,329 8.725,330 2.741,331 3.894,332 3.542,333 5.875,334 3.6,335 2.605,336 3.113,337 1.91,338 8.115,339 2.585,340 3.782,341 3.168,342 5.34,343 3.514,344 2.515,345 2.939,346 0.429,347 6.965,348 2.513,349 3.472,350 3.128,351 5.109,352 3.103,353 2.097,354 2.714,355 0.35,356 5.926,357 2.084,358 3.423,359 2.72,360 4.89,361 3.078,362 2.082,363 2.627,364 0.218,365 5.605,366 2.072,367 3.375,368 2.377,369 4.694,370 3.046,371 2.056,372 2.537,373 0.074,374 5.128,375 1.997,376 3.156,377 2.29,378 4.653,379 2.96,380 1.963,381 2.318,383 5.076,384 1.952,385 3.046,386 2.078,387 4.282,388 2.58,389 1.598,390 2.166,392 3.983,393 1.568,394 2.941,395 1.868,396 4.154,397 2.518,398 1.546,399 2.106,401 3.722,402 1.501,403 2.694,404 1.783,405 3.95,406 2.414,407 1.437,408 1.747,410 3.309,411 1.392,412 2.586,413 1.694,414 3.669,415 2.249,416 1.258,417 1.571,419 3.046,420 1.238,421 2.5,422 1.546,423 3.586,424 2.102,425 1.118,426 1.5,428 2.712,429 1.094,430 21.333,431 0.464,432 1.46,433 0.032,434 50,435 1.087,436 21.5,437 0.467,438 28.5,439 0.62,440 56.609,441 1.231,442 53.067,443 0.583,444 51.629,445 1.122,446 9.85,447 0.214,448 11.863,449 0.258,450 0.211,451 0.023,452 0.305,454 0.768,455 1.385,456 0.878,457 1.202,458 0.629,459 1.072,460 0.496,461 1.249,462 0.83,463 1.157,464 0.446,465 1.07,466 1.107,467 1.115,468 1.149,469 1.115,470 0.997,471 1.14,472 1.072,473 1.054,474 0.892,475 0.924,476 1.115,477 0.873,478 1.248,479 1,480 1.08,481 0.904,482 1.286,483 0.94,484 1.132,485 0.986,486 0.961,487 0.944,488 1.183,489 0.914,490 1.42,491 1.1,492 1.066,493 1.022,494 1.519,495 0.983,496 1.406,497 0.953,498 1.124,499 0.92,500 1.416,501 0.956,502 12,503 0.565,504 4.667,505 3.354,506 2.368,507 1.705,508 1.519,509 1.132,510 1.07,511 0.88,512 35181,513 95463,514 1.929,515 49.5,516 7,517 14,518 1,520 6,521 2,522 15,524 1.84,525 1.764,526 3.839,527 2.812,530 140.841,531 1.548,532 3.632,533 4.823,534 5.55,535 5.752,536 5.752,537 3.3,538 5.203,539 5.493,540 4.08,541 4222.4,542 9.79,543 82738.5,546 592.209,547 1.645,548 5.42,549 0.25,550 0.007,551 0.071,552 0.052,553 0.034,554 0.023,555 0.019,556 0.013,557 0.013,558 0.01,559 0.494,560 0.17,561 0.5,562 1.368,563 270.731,564 -0.074,565 -0.064,566 0.011,567 -0.002,568 -0.063,569 0.021,570 0.259,571 -0.069,572 0.095,573 -0.051,574 0.165,575 -0.02,576 -0.084,577 -0.044,578 -0.167,579 -0.098,580 -0.123,581 -0.148,582 -0.046,583 -0.073,584 0.115,585 0.019,586 -0.052,587 0.089,588 0.149,589 0.049,590 -0.021,591 0.014,592 0.177,593 -0.028,594 0.025,595 0.056,596 0.056,597 0.02,598 0.026,599 0.043,600 -0.126,601 -0.076,602 -0.036,603 -0.042,604 -0.131,605 -0.025,606 -0.094,607 0.057,608 -0.086,609 0.038,610 -0.058,611 -0.011,612 2.937,613 6.732,614 0.326,615 61.845,616 1.005,617 1.135,618 1.544,619 2.385,620 0.631,621 3.892,622 4.205,623 4.331,624 4.564,625 4.691,626 4.71,627 4.828,628 4.913,629 4.949,630 4.97,631 9.282,632 0.601,633 635.84,634 3.892,635 5.434,636 6.236,637 7.104,638 7.928,639 8.798,640 9.634,641 10.504,642 11.347,643 12.218,644 5.5,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 91,670 21,671 2,672 48,673 93,674 34,675 14,676 3,677 9,679 3,680 4,684 5,687 7,688 19,689 15,690 2,691 5,692 5,695 5,699 45,700 11,701 6,702 12,705 5,706 0.667,707 7,710 1,712 1,713 2,715 1,719 3,721 1,728 1,729 1,731 2,734 5,737 46,739 1,740 5,741 4,742 1,744 4,746 1,749 7.7,751 1,752 5,754 1,755 26.083,756 17.117,757 10.097,758 5.39,759 2.325,760 1.302,761 0.906,762 13.799,763 10.03,764 4.127,765 4.632,766 5.016,767 5.51,768 5.906,769 6.007,770 6.325,771 6.634,772 6.523,773 6.73,774 1,775 64,776 17.362,777 7.506,778 8.024,779 32.014,780 25.694,781 2.524,782 116.083,785 459.073,786 183.578,787 88.829,789 179.408,792 183.578,793 638.481,794 88.829,795 44.126,796 84.287,797 94.334,798 183.432,799 36.73,800 20.678,801 447.302,803 459.073,804 272.407,805 179.408,807 282.506,808 355.974,810 145.198,811 127.208,814 459.073,815 268.236,816 183.578,817 459.073,818 45.118,819 138.46,820 88.829,821 179.408,822 459.073,823 268.236,824 183.578,825 0.58,826 0.3,827 0.163,828 0.088,829 25,830 15,831 0.183,832 17,833 1,834 1.133,835 5.167,836 455.2,837 0.133,838 15,839 240.574,841 36.751,842 17.271,843 12.547,844 1.732,845 251.451,846 18.736,848 3.155,850 1.758,852 131.512,853 910.887,854 61,855 64.564,858 -4.071,859 91.472,860 103.261,861 0.238,862 0.558,863 0.741,864 0.853,865 0.884,866 0.884,867 5.375,868 2.082,869 6.248,870 5.926,871 4.89,872 5.321,873 3.634,874 7.029,875 4.85,876 6.569,877 2.056,878 7.796,879 5.605,880 4.635,881 5.173,882 3.263,883 8.015,884 4.579,885 7.864,886 1.963,887 9.446,888 5.128,889 6.494,890 7.383,891 4.855,892 10.987,893 6.401,894 9.185,895 1.598,896 11.154,897 5.076,898 6.986,899 8.011,900 5.081,901 12.748,902 6.869,903 10.535,904 1.546,905 12.9,906 3.983,907 8.384,908 9.79,909 6.244,910 15.284,911 8.233,912 11.905,913 1.437,914 14.671,915 3.722,916 9.207,917 10.82,918 6.737,919 17.356,920 9.024,921 13.292,922 1.258,923 16.459,924 3.309,925 10.428,926 12.429,927 7.718,928 19.742,929 10.212,930 3.139,931 1.118,932 18.262,933 3.046,934 11.406,935 13.683,936 8.353,937 21.945,938 11.153,939 3.084,940 10.34,941 20.074,942 2.712,943 12.556,944 15.221,945 9.248,946 24.278,947 12.271,948 2.939,949 10.157,950 21.895,951 4.474,952 13.606,953 16.596,954 9.963,955 26.54,956 13.282,957 2.783,958 9.239,959 23.722,960 3.445,961 14.731,962 18.107,963 10.816,964 28.856,965 14.373,966 2.605,967 8.725,968 25.553,969 3.289,970 15.815,971 19.544,972 11.577,973 31.144,974 15.419,975 2.515,976 8.115,977 27.389,978 3.219,979 16.933,980 21.044,981 12.413,982 33.457,983 16.5,984 2.097,985 6.965,986 29.229,987 3.113,988 18.034,989 22.512,990 13.202,991 35.759,992 17.564,993 34772,994 57506,995 30.224,996 57.438,997 72.522,998 75.045,999 73.031,1000 70.942,1001 70.908,1002 87.884,1003 22.924,1004 199.039,1005 69.618,1006 5.511,1007 5.862,1008 6.344,1009 5.162,1010 5.139,1011 7.474,1012 4.044,1013 17.14,1014 5.049,1015 31.448,1016 1.511,1017 1.563,1018 1.521,1019 1.478,1020 1.477,1021 1.831,1022 0.478,1023 4.147,1024 1.45,1025 4.133,1026 4.168,1027 4.087,1028 4.049,1029 7.475,1030 4.054,1031 3.938,1032 3.977,1033 3.859,1034 3.864,1035 7.44,1036 3.857,1037 3.862,1038 3.905,1039 3.785,1040 3.7,1041 7.431,1042 3.71,1043 3.76,1044 3.798,1045 3.681,1046 3.568,1047 7.426,1048 3.579,1049 3.72,1050 3.768,1051 3.611,1052 3.55,1053 7.422,1054 3.558,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.478,1062 3.543,1063 3.364,1064 3.285,1065 4.97,1066 3.287,1067 3.441,1068 3.487,1069 3.327,1070 3.257,1071 4.753,1072 3.264,1073 0.094,1074 0.08,1075 0.136,1076 0.085,1077 0.065,1078 4.53,1079 0.093,1080 3.862,1081 0.049,1082 6.543,1083 0.215,1084 4.089,1085 0.064,1086 3.139,1087 4.474,1088 2.341,1089 10.34,1090 3.049,1091 1.942,1092 1.919,1093 2.058,1094 2.03,1095 1.317,1096 2.033,1097 1.921,1098 1.89,1099 2.04,1100 2.016,1101 1.238,1102 2.029,1103 1.804,1104 1.754,1105 2.012,1106 1.989,1107 1.232,1108 1.991,1109 1.711,1110 1.665,1111 1.947,1112 1.924,1113 1.118,1114 1.923,1115 1.675,1116 1.63,1117 1.855,1118 1.883,1119 1.095,1120 1.88,1121 1.665,1122 1.612,1123 1.842,1124 1.846,1125 1.041,1126 1.859,1127 1.451,1128 1.388,1129 1.698,1130 1.686,1131 0.879,1132 1.688,1133 1.42,1134 1.363,1135 1.626,1136 1.659,1137 0.813,1138 1.651,1139 4.575,1140 5.889,1141 2.398,1142 7.357,1143 4.727,1144 8.899,1145 6.823,1146 10.482,1147 8.834,1151 9.458,1152 0.409,1153 10.58,1154 5.401,1156 -3.659,1158 -0.813,1159 54.647,1160 140.841,1161 330.486,1162 438.938,1163 505.051,1164 523.415,1165 523.415,1166 209.104,1167 7.706,1168 178.72,1169 178.72,1170 17,1171 12.767,1172 4.459,1173 3.807,1174 108.909,1175 250,1176 302,1177 0.2,1178 341.546,1179 611.83,1180 825.133,1181 24312,1183 33.855,1184 0.736,1185 0.587,1186 33.855,1187 27.015,1188 21.712,1189 0.452,1190 0.321,1191 15.197,1192 20.842,1193 14.672,1194 12.299,1195 21.712,1196 15.402,1197 20.765,1198 0.315,1199 0.191,1200 20.765,1201 12.639,1202 14.061,1203 0.187,1204 0.094,1205 14.061,1206 7.014,1207 11.858,1208 0.125,1209 0.052,1210 11.858,1211 4.909,1212 8.893,1213 0.082,1214 0.029,1215 8.893,1216 3.084,1217 0.316,1218 136.632,1219 0.182,1220 40.213,1221 0.543,1222 228,1223 722.227,1224 256.092,1225 685.488,1226 894.2,1227 632,1228 255,1229 623.062,1230 278.862,1231 625.548,1232 897.93,1233 585,1234 5.456}
{0 CHEMBL278217,1 1.522,2 21.296,3 5.403,4 29.192,5 207.69,6 7.227,7 0.407,8 4.695,9 4.821,10 4.229,11 4.22,12 5.772,13 4.198,14 5.246,15 5.426,16 4.569,17 4.607,18 6.314,19 4.556,20 5.552,21 5.768,22 4.674,23 4.778,24 6.594,25 4.702,26 5.604,27 5.836,28 4.689,29 4.773,30 6.653,31 4.701,32 5.606,33 5.82,34 4.775,35 4.805,36 6.836,37 4.747,38 5.651,39 5.866,40 4.777,41 4.828,42 6.807,43 4.765,44 5.675,45 5.901,46 4.694,47 4.796,48 6.789,49 4.726,50 5.617,51 5.844,52 4.685,53 4.733,54 6.839,55 4.669,56 0.039,57 1.486,58 21.245,59 9.028,60 12.72,61 12.174,62 0.531,63 2.395,64 40.308,65 14.895,66 52.09,67 20.853,68 0.857,69 3.004,70 58.262,71 20.084,72 104.422,73 28.16,74 0.722,75 3.068,76 62.579,77 20.784,78 102.68,79 29.578,80 1.139,81 3.118,82 62.071,83 20.43,84 185.615,85 28.926,86 0.892,87 3.233,88 64.827,89 21.728,90 134.824,91 30.362,92 0.899,93 3.192,94 68.079,95 21.462,96 140.712,97 29.942,98 1.08,99 2.994,100 64.523,101 20.481,102 189.966,103 28.737,104 26,105 79,106 0.219,107 0.517,108 0.709,109 0.851,110 0.888,111 0.892,112 4.009,113 0.94,114 -4.51,115 -4.44,116 -4.18,117 41.6,118 1,119 4,122 7,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 21,152 1,153 10,156 5,157 1,158 3,161 22,165 3,166 10,169 4,170 1,171 2,174 13,177 1,178 13,181 2,183 6,185 11,188 5,189 12,191 4,193 9,195 15,198 3,199 13,202 3,203 1,204 12,206 12,210 19,213 1,215 9,217 7,220 2,221 19,223 3,224 1,225 9,227 6,230 2,231 11,234 3,235 1,236 7,239 14,243 8970,244 36.843,245 36.843,246 36.843,247 36.843,248 36.843,249 33.19,250 45.584,251 22.489,252 37.366,253 29.236,254 29.236,255 29.236,256 29.236,257 29.236,258 23.6,259 61.246,260 10.848,261 30.04,262 5.137,263 3.071,264 1.734,265 0.752,266 0.49,267 0.463,268 4.718,273 2505,274 5.099,276 948.798,277 191.16,280 308.488,282 2.926,283 61.866,285 0.5,286 0.33,287 0.5,288 0.8,289 0.5,290 0.33,292 0.42,293 116.5,294 1150,295 4.563,296 3.934,297 6.911,298 4.241,299 3.274,300 4.137,301 2.073,302 11.616,303 3.168,304 4.092,305 3.636,306 6.361,307 3.796,308 2.814,309 3.676,310 1.979,311 9.599,312 2.755,313 4.086,314 3.547,315 5.951,316 3.72,317 2.755,318 3.662,319 1.921,320 8.376,321 2.663,322 4.065,323 3.496,324 5.684,325 3.689,326 2.715,327 3.539,328 1.653,329 8.011,330 2.644,331 3.88,332 3.188,333 5.58,334 3.538,335 2.563,336 3.188,337 0.916,338 7.643,339 2.496,340 3.732,341 3.06,342 5.327,343 3.441,344 2.464,345 2.931,346 0.86,347 6.945,348 2.422,349 3.61,350 2.823,351 5.299,352 3.391,353 2.441,354 2.828,355 0.854,356 6.597,357 2.288,358 3.565,359 2.804,360 5.099,361 3.26,362 2.262,363 2.728,364 0.523,365 6.179,366 2.246,367 3.521,368 2.73,369 4.967,370 3.176,371 2.173,372 2.712,373 0.306,374 5.842,375 2.164,376 3.378,377 2.33,378 4.854,379 2.969,380 2.014,381 2.627,382 0.219,383 5.573,384 1.915,385 3.238,386 2.259,387 4.849,388 2.942,389 1.965,390 2.387,391 0.172,392 5.438,393 1.907,394 3.181,395 2.138,396 4.592,397 2.77,398 1.775,399 2.346,400 0.068,401 4.789,402 1.758,403 2.954,404 1.932,405 4.229,406 2.564,407 1.587,408 2.111,409 0.028,410 3.595,411 1.545,412 2.776,413 1.831,414 4.009,415 2.531,416 1.542,417 1.896,419 3.296,420 1.52,421 2.719,422 1.71,423 3.705,424 2.391,425 1.414,426 1.788,428 3.095,429 1.377,430 25.467,431 0.472,432 1.112,433 0.021,434 68,435 1.259,436 33,437 0.611,438 35,439 0.648,440 55.387,441 1.026,442 58.533,443 0.58,444 67.961,445 1.259,446 13.7,447 0.254,448 12.618,449 0.234,450 0.072,452 0.287,454 0.749,455 1.369,456 0.817,457 1.121,458 0.552,459 0.994,460 0.754,461 1.146,462 0.946,463 1.061,464 0.554,465 1.03,466 1.037,467 1.017,468 1.014,469 0.992,470 0.99,471 0.998,472 1.108,473 1.064,474 0.926,475 0.961,476 1.066,477 0.92,478 1.003,479 1.043,480 0.94,481 0.962,482 0.956,483 0.939,484 1.14,485 1.124,486 0.994,487 1.066,488 1.295,489 1.017,490 1.505,491 1.045,492 1.097,493 0.975,494 1.475,495 0.971,496 1.283,497 1.015,498 0.98,499 0.949,500 1.281,501 0.922,502 9.5,503 0.422,504 4.222,505 3.5,506 2.919,507 1.796,508 1.301,509 0.995,510 0.737,511 0.478,512 69074,513 162813,514 2.099,515 46.5,516 5,517 31,518 1,520 4,522 4,523 2,524 1.868,525 2,526 4.254,527 1.24,530 153.675,531 1.522,532 3.587,533 4.924,534 5.907,535 6.168,536 6.195,537 3.699,538 5.533,539 5.72,540 4.533,541 6486.04,542 10.193,543 150844,546 672.479,547 1.251,548 5.702,549 0.161,550 0.006,551 0.053,552 0.041,553 0.034,554 0.019,555 0.014,556 0.012,557 0.009,558 0.006,559 0.356,561 0.5,562 0.424,563 339.267,564 -0.041,565 -0.146,566 0.046,567 -0.037,568 -0.028,569 0.01,570 0.119,571 0.003,572 -0.016,573 -0.047,574 0.063,575 -0.055,576 0.019,577 0.034,578 -0.032,579 -0.007,580 -0.039,581 -0.029,582 -0.025,583 -0.052,584 0.075,585 0.013,586 -0.005,587 0.052,588 0.174,589 0.003,590 0.06,591 0.01,592 0.228,593 0.018,594 0.047,595 -0.093,596 0.007,597 -0.09,599 -0.056,600 -0.175,601 -0.043,602 -0.067,603 -0.02,604 -0.109,605 -0.023,606 0.048,607 -0.024,608 0.053,609 0.008,610 0.148,611 0.029,612 2.687,613 7.118,614 0.648,615 102.461,616 1,617 1.127,618 3.279,619 10.753,620 0.659,621 4.094,622 4.382,623 4.615,624 4.883,625 5.13,626 5.209,627 5.352,628 5.501,629 5.587,630 5.666,631 12.175,632 0.626,633 729.96,634 4.094,635 5.624,636 6.454,637 7.315,638 8.165,639 9.036,640 9.897,641 10.775,642 11.645,643 12.528,644 6.9,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 101,670 29,671 4,672 59,673 106,674 42,675 24,676 7,677 17,678 1,679 6,680 7,683 1,684 1,685 3,687 4,688 29,689 13,691 5,692 4,694 1,695 5,699 47,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 54,740 11,741 4,742 1,744 1,745 2,749 5,752 4,754 1,755 27,756 17.933,757 12,758 6.172,759 3.533,760 1.391,761 0.981,762 13.872,763 12.575,764 4.344,765 4.852,766 5.323,767 5.844,768 6.359,769 6.501,770 6.84,771 7.177,772 7.442,773 7.72,774 0.929,775 85,776 20.219,777 8.673,778 7.765,779 38.438,780 31.392,781 2.265,782 122.333,785 506.157,786 241.932,787 95.077,789 111.58,792 241.932,793 617.737,794 95.077,795 8.825,796 102.532,797 161.096,798 117.45,799 54.409,800 16.047,801 494.386,803 506.157,804 337.009,805 111.58,807 435.531,808 182.206,810 131.267,811 205.742,814 506.157,815 206.657,816 241.932,817 506.157,818 72.01,819 176.17,820 72.043,821 128.365,822 506.157,823 206.657,824 241.932,825 0.569,826 0.321,827 0.179,828 0.103,829 33,830 15,831 0.132,832 14,833 1,834 1.057,835 6.121,836 582.133,837 0.057,838 35,839 300.764,841 38.703,842 19.354,843 11.253,845 206.657,846 31.873,850 5.338,852 72.043,853 954.746,854 76,855 53.197,857 4.741,858 -1.668,859 101.021,860 113.839,861 0.229,862 0.539,863 0.74,864 0.887,865 0.926,866 0.93,867 5.572,868 2.262,869 6.409,870 6.597,871 5.069,872 5.541,873 3.427,874 7.169,875 5.016,876 6.736,877 2.173,878 7.928,879 6.179,880 4.511,881 5.156,882 2.802,883 7.958,884 4.441,885 8.009,886 2.014,887 9.549,888 5.842,889 6.605,890 7.582,891 4.349,892 11.089,893 6.491,894 9.312,895 1.965,896 11.234,897 5.573,898 6.878,899 7.993,900 4.416,901 12.778,902 6.741,903 10.648,904 1.775,905 12.962,906 5.438,907 8.411,908 9.903,909 5.524,910 15.43,911 8.237,912 12.006,913 1.587,914 14.723,915 4.789,916 9.101,917 10.716,918 5.889,919 17.528,920 8.897,921 13.383,922 1.542,923 16.509,924 3.595,925 10.392,926 12.388,927 6.802,928 20.024,929 10.156,930 3.274,931 1.414,932 18.316,933 3.296,934 11.303,935 13.431,936 7.317,937 22.31,938 11.034,939 2.814,940 11.616,941 20.14,942 3.095,943 12.493,944 14.976,945 8.131,946 24.76,947 12.193,948 2.755,949 9.599,950 21.979,951 4.137,952 13.522,953 16.157,954 8.728,955 27.132,956 13.187,957 2.715,958 8.376,959 23.83,960 3.676,961 14.678,962 17.633,963 9.49,964 29.572,965 14.311,966 2.563,967 8.011,968 25.691,969 3.662,970 15.77,971 18.899,972 10.134,973 31.983,974 15.367,975 2.464,976 7.643,977 27.562,978 3.539,979 16.918,980 20.337,981 10.868,982 34.423,983 16.484,984 2.441,985 6.945,986 29.44,987 3.188,988 18.045,989 21.656,990 11.538,991 36.853,992 17.575,993 64277,994 99214,995 40.046,996 66.54,997 87.365,998 89.949,999 88.401,1000 86.144,1001 86.124,1002 108.75,1003 23.146,1004 235.953,1005 83.994,1006 5.563,1007 5.934,1008 6.713,1009 5.313,1010 5.274,1011 7.137,1012 3.599,1013 19.23,1014 5.168,1015 23.571,1016 1.481,1017 1.525,1018 1.498,1019 1.46,1020 1.46,1021 1.843,1022 0.392,1023 3.999,1024 1.424,1025 4.06,1026 4.094,1027 4.014,1028 3.97,1029 7.439,1030 3.974,1031 3.955,1032 3.993,1033 3.886,1034 3.871,1035 7.429,1036 3.87,1037 3.919,1038 3.953,1039 3.856,1040 3.847,1041 7.425,1042 3.844,1043 3.835,1044 3.868,1045 3.766,1046 3.766,1047 7.422,1048 3.761,1049 3.792,1050 3.848,1051 3.663,1052 3.654,1053 4.887,1054 3.646,1055 3.738,1056 3.792,1057 3.65,1058 3.526,1059 4.838,1060 3.546,1061 3.639,1062 3.686,1063 3.571,1064 3.438,1065 4.753,1066 3.462,1067 3.571,1068 3.629,1069 3.464,1070 3.344,1071 4.678,1072 3.368,1073 0.077,1074 0.067,1075 0.117,1076 0.072,1077 0.055,1078 4.563,1079 0.07,1080 3.934,1081 0.035,1082 6.911,1083 0.197,1084 4.241,1085 0.054,1086 3.274,1087 4.137,1088 2.073,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.042,1101 1.196,1102 2.047,1103 1.914,1104 1.884,1105 2.037,1106 2.018,1107 1.175,1108 2.022,1109 1.839,1110 1.809,1111 1.985,1112 1.963,1113 1.132,1114 1.964,1115 1.789,1116 1.731,1117 1.961,1118 1.946,1119 1.128,1120 1.954,1121 1.665,1122 1.608,1123 1.887,1124 1.889,1125 1.05,1126 1.889,1127 1.597,1128 1.547,1129 1.756,1130 1.824,1131 0.908,1132 1.81,1133 1.489,1134 1.436,1135 1.658,1136 1.747,1137 0.825,1138 1.733,1139 4.779,1140 6.075,1142 7.553,1143 2.708,1144 9.116,1145 5.46,1146 10.726,1147 1.908,1152 7.711,1153 10.889,1154 5.936,1156 -1.354,1157 3.763,1159 63.26,1160 153.675,1161 362.275,1162 497.302,1163 596.563,1164 622.97,1165 625.724,1166 137.382,1167 9.042,1168 144.47,1169 144.47,1170 37,1171 13.065,1172 4.907,1173 4.17,1174 91.021,1175 382,1176 478,1177 0.107,1178 387.064,1179 693.47,1180 936.196,1181 157399,1183 37.702,1184 0.698,1185 0.566,1186 37.702,1187 30.553,1188 26.318,1189 0.446,1190 0.313,1191 18.241,1192 25.395,1193 17.865,1194 14.811,1195 26.318,1196 18.479,1197 23.207,1198 0.294,1199 0.17,1200 23.207,1201 13.469,1202 18.629,1203 0.186,1204 0.092,1205 18.629,1206 9.212,1207 15.662,1208 0.12,1209 0.05,1210 15.662,1211 6.567,1212 13.026,1213 0.078,1214 0.027,1215 13.026,1216 4.574,1217 0.176,1218 164.407,1219 0.158,1220 46.628,1221 0.275,1222 276,1223 796.944,1224 303.054,1225 766.781,1226 1036.86,1227 718,1228 317,1229 745.704,1230 343.617,1231 753.302,1232 1098.02,1233 710,1234 6.367}
{0 CHEMBL279778,1 1.481,2 27.103,3 6.155,4 37.883,5 226.227,6 6.956,7 0.381,8 4.795,9 4.925,10 4.295,11 4.319,12 5.836,13 4.286,14 5.359,15 5.547,16 4.621,17 4.71,18 6.377,19 4.643,20 5.672,21 5.903,22 4.718,23 4.878,24 6.652,25 4.787,26 5.718,27 5.96,28 4.72,29 4.87,30 6.727,31 4.777,32 5.712,33 5.944,34 4.735,35 4.885,36 6.787,37 4.795,38 5.723,39 5.959,40 4.714,41 4.883,42 6.765,43 4.783,44 5.727,45 5.974,46 4.609,47 4.826,48 6.753,49 4.717,50 5.642,51 5.894,52 4.539,53 4.734,54 6.707,55 4.624,56 0.065,57 1.641,58 24.902,59 10.386,60 14.012,61 14.341,62 0.586,63 2.648,64 46.795,65 17.27,66 55.736,67 24.644,68 0.782,69 3.319,70 66.996,71 23.01,72 103.138,73 33.118,74 0.814,75 3.375,76 71.04,77 23.656,78 118.454,79 34.314,80 1.009,81 3.382,82 70.488,83 23.352,84 147.162,85 33.648,86 0.782,87 3.389,88 70.867,89 24.389,90 125.026,91 35.076,92 0.922,93 3.282,94 72.706,95 23.687,96 141.16,97 33.999,98 0.957,99 2.977,100 67.01,101 22.108,102 153.592,103 31.76,104 26,105 83,106 0.209,107 0.5,108 0.701,109 0.842,110 0.892,111 0.895,112 4.079,113 0.974,114 -5.17,115 -5.06,116 -4.74,117 40.7,119 9,121 1,122 6,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 24,152 1,153 12,156 5,157 1,158 6,161 24,165 2,166 12,169 2,171 5,174 14,177 1,178 17,181 2,183 10,185 13,188 3,189 13,191 2,193 9,195 18,198 1,199 14,202 1,203 1,204 11,206 17,210 18,213 1,214 1,215 7,217 13,220 1,221 15,223 2,224 1,225 6,227 13,230 1,231 9,234 2,236 4,239 22,243 10842,244 39.672,245 39.672,246 39.672,247 39.672,248 39.672,249 36.071,250 50.521,251 24.429,252 40.212,253 31.216,254 31.216,255 31.216,256 31.216,257 31.216,258 25.6,259 67.901,260 11.788,261 32.02,262 5.339,263 3.284,264 1.86,265 0.862,266 0.509,267 0.485,268 4.787,273 3423,274 5.477,276 1117.41,277 217.324,280 362.284,282 4.234,283 60.206,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 124.5,294 1572,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.062,302 11.429,303 3.155,304 4.119,305 3.615,306 6.31,307 3.78,308 2.798,309 3.696,310 1.987,311 9.331,312 2.744,313 4.086,314 3.574,315 5.941,316 3.731,317 2.755,318 3.676,319 1.907,320 8.334,321 2.706,322 4.049,323 3.532,324 5.684,325 3.72,326 2.744,327 3.53,328 1.653,329 8.011,330 2.663,331 3.89,332 3.188,333 5.679,334 3.552,335 2.58,336 3.173,337 0.916,338 7.965,339 2.503,340 3.705,341 3.06,342 5.327,343 3.4,344 2.462,345 2.934,346 0.86,347 6.945,348 2.389,349 3.659,350 2.823,351 5.31,352 3.392,353 2.402,354 2.829,355 0.85,356 6.826,357 2.367,358 3.564,359 2.801,360 5.137,361 3.381,362 2.379,363 2.748,364 0.488,365 6.092,366 2.288,367 3.526,368 2.741,369 5.035,370 3.149,371 2.155,372 2.712,373 0.324,374 5.988,375 2.128,376 3.394,377 2.33,378 4.851,379 2.97,380 2.015,381 2.664,382 0.219,383 5.573,384 1.927,385 3.238,386 2.26,387 4.849,388 2.964,389 1.995,390 2.346,391 0.172,392 5.478,393 1.913,394 3.16,395 2.19,396 4.608,397 2.783,398 1.793,399 2.346,400 0.149,401 4.834,402 1.768,403 2.957,404 1.899,405 4.201,406 2.676,407 1.682,408 2.116,409 0.03,410 3.535,411 1.668,412 2.776,413 1.863,414 4.003,415 2.547,416 1.562,417 1.896,419 3.5,420 1.533,421 2.753,422 1.827,423 3.787,424 2.535,425 1.544,426 1.792,428 3.243,429 1.522,430 27.467,431 0.474,432 1.112,433 0.019,434 70,435 1.207,436 33,437 0.569,438 37,439 0.638,440 62.02,441 1.069,442 63.733,443 0.564,444 66.893,445 1.153,446 13.737,447 0.237,448 14.581,449 0.251,450 0.067,452 0.266,454 0.747,455 1.38,456 0.858,457 1.152,458 0.548,459 1.033,460 0.748,461 1.151,462 0.98,463 1.091,464 0.546,465 1.065,466 1.069,467 1.048,468 0.997,469 0.993,470 0.97,471 0.984,472 1.122,473 1.053,474 0.956,475 0.971,476 1.091,477 0.944,478 1.168,479 1.013,480 1.027,481 0.969,482 1.165,483 0.974,484 1.043,485 1.128,486 0.995,487 1.082,488 1.137,489 1.039,490 1.358,491 0.998,492 1.087,493 0.986,494 1.312,495 0.997,496 1.207,497 0.96,498 0.996,499 0.95,500 1.167,501 0.948,502 9.5,503 0.299,504 4.222,505 3.75,506 2.719,507 1.664,508 1.208,509 0.77,510 0.577,511 0.366,512 101338,513 232225,514 2.092,515 48.7,516 6,517 32,518 1,520 4,521 4,522 6,523 2,524 1.875,525 2,526 4.596,527 1.19,530 167.36,531 1.481,532 3.536,533 4.96,534 5.958,535 6.311,536 6.336,537 4.039,538 5.582,539 5.83,540 4.906,541 8109.04,542 10.353,543 224258,546 770.68,547 1.209,548 5.808,549 0.151,550 0.005,551 0.051,552 0.042,553 0.031,554 0.019,555 0.014,556 0.01,557 0.008,558 0.006,559 0.336,561 0.5,562 0.406,563 382.635,564 -0.029,565 -0.136,566 0.047,567 -0.034,568 -0.015,569 0.009,570 0.125,571 0.002,572 -0.027,573 -0.056,574 0.073,575 -0.064,576 -0.031,577 -0.007,578 -0.006,580 -0.03,581 -0.001,582 -0.024,583 -0.043,584 0.048,585 0.007,587 0.032,588 -0.002,589 0.018,590 -0.019,591 0.009,592 0.017,593 -0.004,594 0.019,595 -0.119,597 -0.088,598 0.003,599 -0.053,600 -0.12,601 -0.016,602 -0.064,603 -0.021,604 -0.071,605 -0.032,606 0.007,607 0.002,608 0.025,609 0.018,610 0.077,611 0.023,612 2.496,613 6.475,614 0.603,615 122.712,616 0.996,617 1.128,618 3.936,619 15.496,620 0.651,621 4.159,622 4.431,623 4.654,624 4.898,625 5.112,626 5.182,627 5.298,628 5.403,629 5.447,630 5.505,631 15.762,632 0.614,633 786.08,634 4.159,635 5.68,636 6.503,637 7.354,638 8.195,639 9.056,640 9.907,641 10.775,642 11.633,643 12.507,644 6.2,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 113,670 29,671 4,672 63,673 118,674 46,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 9,688 29,689 17,691 5,692 4,694 1,695 5,699 55,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 58,740 15,741 4,742 1,744 1,745 2,749 4.4,752 4,754 1,755 29,756 19.933,757 13,758 7.147,759 4.257,760 1.456,761 0.972,762 16.317,763 13.598,764 4.394,765 4.883,766 5.347,767 5.86,768 6.355,769 6.508,770 6.839,771 7.151,772 7.36,773 7.626,774 1,775 89,776 21.669,777 9.167,778 7.713,779 41.704,780 34.066,781 2.213,782 128.333,785 600.326,786 252.07,787 95.077,789 111.58,792 252.07,793 711.906,794 95.077,795 8.396,796 113.099,797 161.096,798 117.45,799 54.409,800 16.047,801 588.555,803 600.326,804 347.147,805 111.58,807 506.157,808 205.748,810 133.009,811 214.138,814 600.326,815 206.657,816 252.07,817 600.326,818 82.577,819 175.741,820 72.043,821 128.365,822 600.326,823 206.657,824 252.07,825 0.565,826 0.319,827 0.175,828 0.096,829 33,830 15,831 0.153,832 18,833 1,834 1.057,835 6.726,836 599.622,837 0.057,838 35,839 331.763,841 42.589,842 22.221,843 13.262,845 206.657,846 32.402,850 5.661,852 72.043,853 1059.05,854 80,855 51.677,857 4.729,858 -0.481,859 112.556,860 127.5,861 0.217,862 0.518,863 0.727,864 0.874,865 0.925,866 0.929,867 5.617,868 2.379,869 6.447,870 6.826,871 5.118,872 5.572,873 3.422,874 7.191,875 5.069,876 6.768,877 2.155,878 7.957,879 6.092,880 4.511,881 5.156,882 2.802,883 7.943,884 4.441,885 8.034,886 2.015,887 9.569,888 5.988,889 6.637,890 7.596,891 4.336,892 11.072,893 6.533,894 9.331,895 1.995,896 11.245,897 5.573,898 6.878,899 7.998,900 4.407,901 12.728,902 6.748,903 10.662,904 1.793,905 12.966,906 5.478,907 8.426,908 9.911,909 5.506,910 15.369,911 8.267,912 12.016,913 1.682,914 14.72,915 4.834,916 9.094,917 10.722,918 5.872,919 17.433,920 8.905,921 13.39,922 1.562,923 16.499,924 3.535,925 10.39,926 12.395,927 6.779,928 19.915,929 10.175,930 3.254,931 1.544,932 18.299,933 3.5,934 11.286,935 13.438,936 7.292,937 22.172,938 11.038,939 2.798,940 11.429,941 20.115,942 3.243,943 12.475,944 14.983,945 8.102,946 24.607,947 12.2,948 2.755,949 9.331,950 21.946,951 4.133,952 13.491,953 16.164,954 8.696,955 26.954,956 13.183,957 2.744,958 8.334,959 23.788,960 3.696,961 14.642,962 17.639,963 9.455,964 29.378,965 14.305,966 2.58,967 8.011,968 25.642,969 3.676,970 15.723,971 18.905,972 10.095,973 31.768,974 15.352,975 2.462,976 7.965,977 27.504,978 3.53,979 16.865,980 20.342,981 10.826,982 34.193,983 16.464,984 2.402,985 6.945,986 29.374,987 3.173,988 17.982,989 21.66,990 11.493,991 36.604,992 17.547,993 94057,994 143001,995 42.819,996 73.586,997 92.094,998 95.187,999 93.515,1000 91.143,1001 91.123,1002 113.721,1003 23.234,1004 245.751,1005 89.014,1006 5.553,1007 5.906,1008 6.703,1009 5.292,1010 5.254,1011 7.133,1012 3.581,1013 19.038,1014 5.155,1015 25.375,1016 1.462,1017 1.511,1018 1.484,1019 1.447,1020 1.446,1021 1.805,1022 0.369,1023 3.901,1024 1.413,1025 4.059,1026 4.095,1027 4.01,1028 3.971,1029 7.437,1030 3.974,1031 3.96,1032 3.996,1033 3.895,1034 3.878,1035 7.428,1036 3.877,1037 3.933,1038 3.966,1039 3.87,1040 3.854,1041 7.427,1042 3.853,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.795,1050 3.854,1051 3.669,1052 3.655,1053 4.888,1054 3.647,1055 3.786,1056 3.839,1057 3.661,1058 3.636,1059 4.838,1060 3.631,1061 3.664,1062 3.726,1063 3.585,1064 3.466,1065 4.738,1066 3.472,1067 3.628,1068 3.678,1069 3.527,1070 3.42,1071 4.681,1072 3.449,1073 0.072,1074 0.062,1075 0.109,1076 0.067,1077 0.052,1078 4.553,1079 0.066,1080 3.906,1081 0.033,1082 6.873,1083 0.181,1084 4.224,1085 0.05,1086 3.254,1087 4.133,1088 2.062,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.925,1098 1.897,1099 2.057,1100 2.041,1101 1.342,1102 2.047,1103 1.924,1104 1.894,1105 2.039,1106 2.03,1107 1.194,1108 2.033,1109 1.837,1110 1.806,1111 2.001,1112 1.962,1113 1.175,1114 1.974,1115 1.79,1116 1.731,1117 1.983,1118 1.946,1119 1.169,1120 1.953,1121 1.766,1122 1.708,1123 1.961,1124 1.933,1125 1.127,1126 1.947,1127 1.626,1128 1.561,1129 1.875,1130 1.848,1131 1.036,1132 1.855,1133 1.577,1134 1.529,1135 1.727,1136 1.817,1137 0.976,1138 1.796,1139 4.844,1140 6.129,1142 7.594,1143 2.708,1144 9.145,1145 5.46,1146 10.743,1147 1.668,1152 12.454,1153 11.437,1154 5.941,1156 -1.163,1157 4.007,1159 69.367,1160 167.36,1161 399.571,1162 560.464,1163 673.254,1164 713.17,1165 715.925,1166 150.291,1167 9.34,1168 144.47,1169 144.47,1170 37,1171 13.052,1172 4.907,1173 4.17,1174 102.777,1175 560,1176 570,1177 0.084,1178 425.433,1179 762.67,1180 1029.82,1181 282325,1183 40.53,1184 0.699,1185 0.576,1186 40.53,1187 33.382,1188 28.318,1189 0.449,1190 0.325,1191 20.222,1192 27.378,1193 19.814,1194 16.448,1195 28.318,1196 20.464,1197 24.577,1198 0.296,1199 0.179,1200 24.577,1201 14.833,1202 19.807,1203 0.19,1204 0.099,1205 19.807,1206 10.276,1207 16.404,1208 0.123,1209 0.054,1210 16.404,1211 7.244,1212 13.12,1213 0.08,1214 0.03,1215 13.12,1216 4.965,1217 0.143,1218 176.491,1219 0.153,1220 50.65,1221 0.202,1222 292,1223 812.944,1224 318.721,1225 783.28,1226 1059.3,1227 734,1228 333,1229 760.352,1230 358.785,1231 768.745,1232 1117.54,1233 725,1234 6.469}
{0 CHEMBL280980,1 1.742,2 18.911,3 3.418,4 11.685,5 176.262,6 8.445,7 0.469,8 4.434,9 4.555,10 4.147,11 4.014,12 5.624,13 3.98,14 4.92,15 5.074,16 4.5,17 4.385,18 6.134,19 4.322,20 5.164,21 5.35,22 4.577,23 4.507,24 6.345,25 4.448,26 5.243,27 5.432,28 4.65,29 4.545,30 6.452,31 4.472,32 5.281,33 5.474,34 4.596,35 4.553,36 6.537,37 4.488,38 5.305,39 5.514,40 4.512,41 4.553,42 6.438,43 4.462,44 5.298,45 5.52,46 4.478,47 4.481,48 6.524,49 4.383,50 5.189,51 5.415,52 4.335,53 4.378,54 6.347,55 4.28,56 0.129,57 1.222,58 13.853,59 6.478,60 19.64,61 7.59,62 0.539,63 1.924,64 30.697,65 11.597,66 46.047,67 13.818,68 0.631,69 2.28,70 37.6,71 13.446,72 77.417,73 16.537,74 0.69,75 2.393,76 47.445,77 16.209,78 96.367,79 18.714,80 0.917,81 2.463,82 45.063,83 15.244,84 114.917,85 18.398,86 0.593,87 2.436,88 44.658,89 16.806,90 85.52,91 20.874,92 0.945,93 2.37,94 50.828,95 16.48,96 135.51,97 20.322,98 0.746,99 2.084,100 48.058,101 15.804,102 106.329,103 19.027,104 39,105 67,106 0.264,107 0.609,108 0.755,109 0.842,110 0.885,111 0.89,112 3.831,113 0.973,114 -4.25,115 -4.19,116 -3.96,117 40.8,121 1,122 3,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 2,142 2,144 1,145 2,146 2,147 2,150 14,152 2,153 7,155 2,156 6,157 2,158 3,160 2,161 15,164 1,165 2,166 8,169 2,171 5,174 10,177 1,178 11,180 2,181 3,183 8,185 7,187 2,188 2,189 12,191 3,192 1,193 7,195 9,199 10,202 1,204 7,206 9,209 1,210 13,213 2,214 1,215 8,217 5,219 2,220 1,221 11,223 1,225 5,227 6,230 1,231 6,234 1,236 1,239 13,243 4944,244 30.344,245 30.344,246 30.344,247 30.344,248 30.344,249 26.778,250 35.499,251 18.244,252 31.22,253 24.228,254 24.228,255 24.228,256 24.228,257 24.228,258 18.75,259 47.668,260 8.735,261 25.595,262 4.506,263 2.234,264 1.268,265 0.698,266 0.415,267 0.378,268 4.532,273 1840,274 4.743,275 149.768,276 440.906,277 149.546,280 251.829,282 3.084,283 51.458,285 0.25,286 0.33,287 0.33,288 0.3,290 0.33,291 0.5,292 0.29,293 97.5,294 851,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.223,305 3.906,306 6.31,307 3.862,308 2.865,309 3.808,310 2.062,311 9.331,312 2.853,313 4.164,314 3.565,315 6.067,316 3.76,317 2.776,318 3.791,319 1.653,320 8.788,321 2.722,322 4.052,323 3.524,324 5.939,325 3.645,326 2.763,327 3.53,328 1.2,329 8.311,330 2.51,331 3.904,332 3.188,333 5.675,334 3.566,335 2.599,336 3.185,337 1.058,338 7.971,339 2.44,340 3.737,341 3.022,342 5.43,343 3.392,344 2.409,345 3.025,346 0.85,347 7.113,348 2.359,349 3.634,350 2.797,351 5.147,352 3.151,353 2.243,354 2.913,355 0.488,356 6.084,357 2.037,358 3.465,359 2.752,360 5.03,361 3.068,362 2.088,363 2.73,364 0.219,365 5.965,366 2.027,367 3.362,368 2.563,369 4.765,370 2.905,371 1.922,372 2.6,373 0.129,374 5.185,375 1.878,376 3.047,377 2.279,378 4.338,379 2.658,380 1.796,381 2.155,382 0.03,383 4.345,384 1.56,385 2.965,386 2.253,387 4.238,388 2.56,389 1.612,390 2.127,392 3.887,393 1.523,394 2.876,395 1.901,396 4.135,397 2.514,398 1.551,399 1.967,401 3.52,402 1.459,403 2.775,404 1.81,405 4.002,406 2.317,407 1.329,408 1.895,410 3.096,411 1.316,412 2.651,413 1.699,414 3.62,415 2.284,416 1.314,417 1.687,419 2.99,420 1.253,421 2.609,422 1.686,423 3.601,424 2.133,425 1.143,426 1.589,428 2.87,429 1.124,430 21.767,431 0.484,432 1.065,433 0.024,434 60.5,435 1.344,436 31,437 0.689,438 29.5,439 0.656,440 41.96,441 0.932,442 47.233,443 0.621,444 54.542,445 1.212,446 11.786,447 0.262,448 9.993,449 0.222,450 0.106,452 0.317,454 0.848,455 1.197,456 0.742,457 0.857,458 0.701,459 0.829,460 0.547,461 1.055,462 1.036,463 1.12,464 0.513,465 0.982,466 1.053,467 1.051,468 0.899,469 0.936,470 0.999,471 0.954,472 1.194,473 1.106,474 0.944,475 1.021,476 1.241,477 0.986,478 1.152,479 1.018,480 1.015,481 0.998,482 1.113,483 1.025,484 1.11,485 1.092,486 0.912,487 1.02,488 1.098,489 1.093,490 1.196,491 0.977,492 1.024,493 1.003,494 1.226,495 1.02,496 1.276,497 0.918,498 1.055,499 0.99,500 1.35,501 0.949,502 8.5,503 0.269,504 4.222,505 3.507,506 2.511,507 1.667,508 1.084,509 0.634,510 0.561,511 0.341,512 41671,513 125914,514 2.069,515 40.8,517 22,518 2,520 7,524 1.823,525 1.942,526 4.095,527 3.671,530 132.398,531 1.742,532 4.014,533 4.98,534 5.55,535 5.833,536 5.87,537 3.578,538 5.314,539 5.459,540 4.379,541 4335.34,542 9.65,543 88121.7,546 474.842,547 1.383,548 5.425,549 0.173,550 0.005,551 0.063,552 0.049,553 0.034,554 0.023,555 0.016,556 0.011,557 0.01,558 0.007,559 0.392,561 0.63,562 0.754,563 269.273,564 -0.13,565 -0.037,566 0.038,567 0.081,568 -0.117,569 0.063,570 0.258,571 0.072,572 -0.038,573 -0.073,574 0.118,575 -0.041,576 -0.055,577 -0.006,578 -0.03,579 -0.017,580 -0.064,581 -0.025,582 -0.061,583 -0.103,584 0.032,585 -0.032,586 -0.049,587 -0.026,588 -0.011,589 0.005,590 -0.112,591 -0.077,592 0.017,593 -0.096,594 -0.105,595 -0.141,596 -0.056,597 -0.108,598 -0.068,599 -0.116,600 -0.021,601 -0.03,602 -0.037,603 -0.037,604 0.024,605 -0.037,606 -0.102,607 0.005,608 -0.029,609 0.012,610 -0.07,611 0.06,612 2.51,613 6.388,614 0.622,615 71.49,616 1.01,617 1.125,618 3.018,619 9.108,620 0.698,621 3.912,622 4.22,623 4.466,624 4.727,625 4.927,626 5.03,627 5.159,628 5.209,629 5.288,630 5.357,631 10.937,632 0.665,633 641.85,634 3.912,635 5.451,636 6.29,637 7.16,638 8.018,639 8.895,640 9.763,641 10.645,642 11.518,643 12.403,644 11.8,645 2,649 4,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,662 1,669 76,670 28,671 3,672 49,673 80,674 31,675 21,676 5,677 13,678 3,679 5,680 6,682 1,683 1,688 26,689 5,691 5,692 3,694 2,695 5,699 31,700 12,701 7,702 14,703 2,705 9,706 0.8,707 3,712 1,713 3,714 1,717 1,720 1,725 2,731 4,732 1,733 2,734 1,737 45,738 2,740 3,741 3,743 1,744 1,745 1,747 1,749 3.9,752 3,755 23.167,756 13.55,757 9.944,758 4.089,759 4.219,760 1.483,761 0.997,762 10.971,763 12.949,764 4.197,765 4.751,766 5.276,767 5.821,768 6.277,769 6.479,770 6.831,771 7.03,772 7.302,773 7.57,774 1,775 72,776 16.681,777 7.136,778 7.878,779 31.165,780 25.108,781 2.378,782 107,785 282.506,786 243.308,787 173.308,789 75.435,791 63.497,792 179.81,793 357.941,794 173.308,795 8.396,796 126.856,797 130.84,798 104.386,799 51.899,800 29.717,801 322.461,803 282.506,804 353.118,805 75.435,806 63.497,807 282.506,808 75.435,810 163.685,811 172.648,812 16.786,813 63.497,814 282.506,815 248.742,816 243.308,817 282.506,818 104.071,819 142.361,820 54.032,821 191.586,822 282.506,823 248.742,824 243.308,825 0.575,826 0.328,827 0.182,828 0.099,829 29,830 14,831 0.125,832 10,833 1,834 1.071,835 5.416,836 451.846,837 0.071,838 28,839 241.133,840 2,841 32.319,842 15.276,843 8.555,845 248.742,846 25.411,847 4.335,849 1.355,850 4.413,852 119.827,853 774.556,854 65.5,855 39.225,857 8.623,858 -0.75,859 76.771,860 85.52,861 0.279,862 0.642,863 0.797,864 0.888,865 0.934,866 0.939,867 5.428,868 2.088,869 6.263,870 6.084,871 4.905,872 5.44,873 3.708,874 7.052,875 4.811,876 6.622,877 1.922,878 7.807,879 5.965,880 4.443,881 5.121,882 2.211,883 7.904,884 4.336,885 7.914,886 1.796,887 9.452,888 5.185,889 6.472,890 7.548,891 5.601,892 11.026,893 6.303,894 9.239,895 1.612,896 11.158,897 4.345,898 6.836,899 8.038,900 3.71,901 12.738,902 6.657,903 10.595,904 1.551,905 12.907,906 3.887,907 8.32,908 9.924,909 7.855,910 15.378,911 8.094,912 11.973,913 1.329,914 14.684,915 3.52,916 9.075,917 10.811,918 5.148,919 17.463,920 8.836,921 13.368,922 1.314,923 16.483,924 3.096,925 10.339,926 12.452,927 10.193,928 19.944,929 10.064,930 3.254,931 1.143,932 18.3,933 2.99,934 11.288,935 13.553,936 6.579,937 22.204,938 10.995,939 2.865,940 11.429,941 20.13,942 2.87,943 12.464,944 15.071,945 12.554,946 24.636,947 12.142,948 2.776,949 9.331,950 21.971,951 4.133,952 13.51,953 16.294,954 8.009,955 26.981,956 13.166,957 2.763,958 8.788,959 23.822,960 3.808,961 14.656,962 17.749,963 14.922,964 29.401,965 14.286,966 2.599,967 8.311,968 25.681,969 3.791,970 15.752,971 19.042,972 9.442,973 31.788,974 15.357,975 2.409,976 7.971,977 27.548,978 3.53,979 16.892,980 20.464,981 17.291,982 34.209,983 16.471,984 2.243,985 7.113,986 29.42,987 3.185,988 18.016,989 21.799,990 10.878,991 36.617,992 17.568,993 39311,994 68564,995 32.709,996 53.086,997 74.018,998 78.752,999 74.894,1000 72.477,1001 72.499,1002 94.783,1003 21.923,1004 203.105,1005 68.945,1006 5.498,1007 6.25,1008 6.675,1009 5.367,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 23.66,1016 1.511,1017 1.607,1018 1.528,1019 1.479,1020 1.48,1021 1.934,1022 0.447,1023 4.145,1024 1.407,1025 4.046,1026 4.078,1027 4.235,1028 3.964,1029 7.436,1030 3.966,1031 3.94,1032 3.968,1033 4,1034 3.868,1035 7.428,1036 3.863,1037 3.858,1038 3.886,1039 3.897,1040 3.838,1041 7.424,1042 3.769,1043 3.829,1044 3.862,1045 3.811,1046 3.764,1047 5.336,1048 3.758,1049 3.642,1050 3.691,1051 3.758,1052 3.474,1053 4.877,1054 3.456,1055 3.573,1056 3.634,1057 3.577,1058 3.417,1059 4.804,1060 3.405,1061 3.446,1062 3.536,1063 3.39,1064 3.176,1065 4.721,1066 3.207,1067 3.381,1068 3.442,1069 3.358,1070 3.114,1071 4.681,1072 3.149,1073 0.093,1074 0.087,1075 0.14,1076 0.086,1077 0.066,1078 4.553,1079 0.084,1080 4.25,1081 0.067,1082 6.873,1083 0.233,1084 4.224,1085 0.064,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.04,1095 1.169,1096 2.046,1097 1.911,1098 1.887,1099 2.009,1100 2.022,1101 1.132,1102 2.018,1103 1.837,1104 1.806,1105 1.961,1106 1.945,1107 1.075,1108 1.948,1109 1.61,1110 1.572,1111 1.763,1112 1.828,1113 1.036,1114 1.81,1115 1.574,1116 1.528,1117 1.714,1118 1.775,1119 0.853,1120 1.78,1121 1.458,1122 1.408,1123 1.611,1124 1.748,1125 0.822,1126 1.723,1127 1.436,1128 1.381,1129 1.549,1130 1.609,1131 0.615,1132 1.622,1133 1.28,1134 1.211,1135 1.545,1136 1.565,1137 0.44,1138 1.562,1139 4.595,1140 5.905,1141 2.398,1142 7.392,1143 4.727,1144 8.962,1145 6.843,1146 10.58,1147 1.654,1150 10.758,1152 1.762,1153 8.287,1155 1.612,1156 -1.177,1157 1.49,1159 50.506,1160 132.398,1161 305.053,1162 378.472,1163 421.823,1164 443.333,1165 446.088,1166 103.439,1167 8.73,1168 180.19,1169 233.73,1170 30,1171 12.938,1172 4.858,1173 4.129,1174 77.23,1175 296,1176 343,1177 0.123,1178 319.727,1179 559.61,1180 771.894,1181 106706,1183 31.761,1184 0.706,1185 0.576,1186 32.468,1187 25.899,1188 21.779,1189 0.444,1190 0.324,1191 13.847,1192 20.075,1193 13.351,1194 11.079,1195 22.733,1196 15.894,1197 19.547,1198 0.292,1199 0.175,1200 20.623,1201 11.748,1202 15.799,1203 0.184,1204 0.097,1205 17.013,1206 8.363,1207 13.225,1208 0.118,1209 0.054,1210 14.538,1211 6.071,1212 10.403,1213 0.076,1214 0.03,1215 11.501,1216 4.09,1217 0.202,1218 145.641,1219 0.175,1220 40.463,1221 0.312,1222 232,1223 711.131,1224 297.881,1225 735.733,1226 993.39,1227 686,1228 269,1229 694.554,1230 325.373,1231 728.526,1232 1063.22,1233 683,1234 6.42}
{0 CHEMBL281017,1 1.504,2 21.769,3 6.113,4 37.374,5 201.199,6 7.173,7 0.421,8 4.666,9 4.789,10 4.198,11 4.19,12 5.732,13 4.167,14 5.221,15 5.399,16 4.54,17 4.575,18 6.269,19 4.528,20 5.509,21 5.717,22 4.649,23 4.749,24 6.55,25 4.676,26 5.57,27 5.801,28 4.632,29 4.747,30 6.589,31 4.666,32 5.566,33 5.786,34 4.66,35 4.765,36 6.669,37 4.688,38 5.577,39 5.797,40 4.656,41 4.757,42 6.655,43 4.681,44 5.582,45 5.806,46 4.598,47 4.707,48 6.663,49 4.633,50 5.502,51 5.726,52 4.546,53 4.655,54 6.587,55 4.577,56 0.033,57 1.418,58 20.885,59 8.953,60 12.41,61 11.976,62 0.518,63 2.29,64 39.835,65 14.685,66 49.412,67 20.285,68 0.81,69 2.864,70 55.64,71 19.492,72 95.714,73 27.135,74 0.682,75 2.956,76 60.436,77 20.685,78 94.496,79 29.238,80 0.901,81 2.959,82 59.914,83 20.481,84 124.687,85 28.723,86 0.593,87 2.959,88 60.272,89 20.99,90 103.718,91 29.324,92 0.969,93 2.877,94 62.374,95 20.098,96 122.969,97 27.793,98 0.764,99 2.677,100 56.938,101 19.358,102 111.828,103 26.756,104 26,105 77,106 0.218,107 0.526,108 0.739,109 0.866,110 0.895,111 0.898,112 3.972,113 0.94,114 -4.72,115 -4.63,116 -4.35,117 41.8,118 1,119 4,121 1,122 6,125 1,132 16,133 4,134 4,140 1,141 2,142 1,150 19,152 1,153 12,156 4,157 1,158 3,161 20,165 3,166 12,169 3,171 2,174 12,177 1,178 13,181 2,183 6,185 10,188 4,189 14,191 2,193 8,195 14,198 1,199 13,204 11,206 10,209 2,210 18,213 1,215 8,217 8,220 2,221 15,223 1,225 5,227 8,230 1,231 12,234 2,236 2,239 15,243 7844,244 35.429,245 35.429,246 35.429,247 35.429,248 35.429,249 31.958,250 46.865,251 21.446,252 36.052,253 28.216,254 28.216,255 28.216,256 28.216,257 28.216,258 22.804,259 63.585,260 10.322,261 29.181,262 5.111,263 2.986,264 1.517,265 0.644,266 0.444,267 0.424,268 4.682,273 2468,274 4.743,276 905.951,277 176.108,280 286.229,282 3.112,283 52.948,285 0.5,286 0.33,287 0.5,288 0.8,289 0.5,290 0.5,291 0.5,292 0.52,293 112,294 1132,295 4.558,296 3.906,297 6.875,298 4.227,299 3.257,300 4.146,301 2.062,302 11.438,303 3.159,304 4.124,305 3.607,306 6.318,307 3.801,308 2.824,309 3.676,310 2.03,311 9.38,312 2.751,313 4.086,314 3.533,315 5.954,316 3.72,317 2.755,318 3.672,319 1.653,320 8.388,321 2.663,322 4.074,323 3.204,324 5.684,325 3.688,326 2.715,327 3.662,328 0.916,329 8.011,330 2.643,331 3.899,332 3.06,333 5.581,334 3.564,335 2.586,336 3.17,337 0.892,338 7.652,339 2.524,340 3.732,341 2.866,342 5.427,343 3.408,344 2.463,345 3.019,346 0.86,347 7.093,348 2.355,349 3.616,350 2.823,351 5.327,352 3.39,353 2.442,354 2.818,355 0.85,356 6.945,357 2.288,358 3.565,359 2.749,360 5.105,361 3.267,362 2.283,363 2.792,364 0.488,365 6.12,366 2.228,367 3.554,368 2.714,369 4.997,370 3.166,371 2.185,372 2.712,373 0.219,374 5.959,375 2.121,376 3.238,377 2.33,378 4.879,379 2.968,380 2.014,381 2.404,382 0.172,383 5.573,384 1.912,385 3.197,386 2.162,387 4.851,388 2.83,389 1.857,390 2.346,391 0.141,392 5.34,393 1.803,394 3.074,395 2.119,396 4.579,397 2.683,398 1.704,399 2.231,400 0.03,401 4.724,402 1.654,403 2.925,404 1.862,405 4.167,406 2.558,407 1.582,408 2.095,410 3.366,411 1.537,412 2.72,413 1.829,414 3.937,415 2.461,416 1.47,417 1.788,419 3.292,420 1.454,421 2.673,422 1.631,423 3.706,424 2.39,425 1.413,426 1.748,428 3.037,429 1.376,430 24.567,431 0.472,432 1.112,433 0.021,434 65.75,435 1.264,436 32,437 0.615,438 33.75,439 0.649,440 52.47,441 1.009,442 56.433,443 0.576,444 63.166,445 1.215,446 13.164,447 0.253,448 12.154,449 0.234,450 0.081,452 0.297,454 0.778,455 1.372,456 0.82,457 1.142,458 0.58,459 1.005,460 0.886,461 1.089,462 0.939,463 1.012,464 0.584,465 0.982,466 1.047,467 1.065,468 1.014,469 1.014,470 0.951,471 1.008,472 1.07,473 1.065,474 0.945,475 0.985,476 1.036,477 0.951,478 1.067,479 1.015,480 0.992,481 0.978,482 1.031,483 0.972,484 1.108,485 1.169,486 0.972,487 1.089,488 1.2,489 1.021,490 1.455,491 1.001,492 1.085,493 0.957,494 1.399,495 0.963,496 1.251,497 1.021,498 1,499 0.992,500 1.233,501 0.965,502 9.5,503 0.393,504 4.222,505 3.438,506 2.83,507 1.58,508 1.19,509 0.83,510 0.666,511 0.436,512 64932,513 151436,514 2.103,515 46.9,516 5,517 31,518 1,520 3,522 4,523 2,524 1.857,525 2,526 4.307,527 0.618,530 147.379,531 1.504,532 3.629,533 5.098,534 5.971,535 6.171,536 6.191,537 3.783,538 5.47,539 5.667,540 4.569,541 6058.67,542 10.071,543 139519,546 648.242,547 1.273,548 5.646,549 0.167,550 0.006,551 0.055,552 0.041,553 0.035,554 0.019,555 0.015,556 0.011,557 0.009,558 0.006,559 0.364,560 0.17,561 0.5,562 0.434,563 325.283,564 -0.029,565 -0.161,566 0.055,567 -0.056,568 -0.032,569 0.002,570 0.078,571 0.048,572 0.007,573 -0.002,574 0.069,575 -0.01,576 0.035,577 -0.009,578 -0.032,579 -0.024,580 0.008,581 -0.038,582 -0.017,583 -0.053,584 0.05,585 -0.006,586 0.01,587 0.025,588 0.049,589 0.016,590 0.004,591 0.002,592 0.082,593 -0.003,594 -0.015,595 -0.16,596 0.021,597 -0.099,598 0.008,599 -0.042,600 -0.09,601 -0.005,602 -0.051,603 0.002,604 -0.08,605 -0.014,606 -0.024,607 -0.032,608 0.014,609 -0.013,610 0.032,611 0.004,612 2.528,613 6.549,614 0.673,615 97.976,616 0.999,617 1.126,618 3.488,619 12.168,620 0.659,621 4.06,622 4.357,623 4.595,624 4.852,625 5.088,626 5.17,627 5.303,628 5.438,629 5.533,630 5.624,631 12.377,632 0.625,633 702.93,634 4.06,635 5.595,636 6.428,637 7.291,638 8.141,639 9.012,640 9.872,641 10.748,642 11.615,643 12.497,644 6.1,647 1,649 4,651 1,654 16,658 8,660 24,661 1,667 2,669 98,670 28,671 4,672 57,673 103,674 41,675 24,676 8,677 16,678 1,679 6,680 7,683 1,684 1,685 3,687 4,688 28,689 13,691 4,692 3,694 1,695 4,699 46,700 11,701 3,702 11,705 6,706 0.833,707 5,713 5,714 1,717 1,719 1,720 1,727 1,731 5,734 2,737 52,740 10,741 3,742 2,744 1,745 2,749 5.1,752 3,754 2,755 26,756 17.85,757 11.5,758 5.988,759 4.323,760 1.463,761 0.979,762 12.967,763 13.654,764 4.304,765 4.828,766 5.321,767 5.846,768 6.361,769 6.533,770 6.87,771 7.207,772 7.494,773 7.784,774 1,775 83,776 19.391,777 8.247,778 7.708,779 37.146,780 30.329,781 2.208,782 114.833,785 506.157,786 241.772,787 77.066,789 97.435,792 241.772,793 603.592,794 77.066,795 17.222,796 84.902,797 151.62,798 87.601,799 70.652,800 16.047,801 494.386,803 506.157,804 318.838,805 97.435,807 435.531,808 168.061,810 113.637,811 205.201,814 506.157,815 174.501,816 241.772,817 506.157,818 72.93,819 175.09,820 54.032,821 114.22,822 506.157,823 174.501,824 241.772,825 0.572,826 0.326,827 0.178,828 0.1,829 33,830 15,831 0.126,832 13,833 1,834 1.057,835 6.043,836 548.736,837 0.057,838 35,839 288.423,841 37.081,842 18.184,843 10.449,845 174.501,846 30.238,850 6.176,852 54.032,853 922.43,854 73,855 39.199,857 4.77,858 -0.695,859 97.919,860 110.341,861 0.227,862 0.549,863 0.771,864 0.903,865 0.933,866 0.936,867 5.537,868 2.283,869 6.389,870 6.945,871 5.043,872 5.517,873 3.269,874 7.154,875 4.978,876 6.707,877 2.185,878 7.914,879 6.12,880 4.511,881 5.165,882 2.53,883 7.943,884 4.421,885 7.985,886 2.014,887 9.539,888 5.959,889 6.589,890 7.582,891 4.146,892 11.064,893 6.457,894 9.294,895 1.857,896 11.225,897 5.573,898 6.878,899 8.024,900 4.145,901 12.728,902 6.719,903 10.635,904 1.704,905 12.953,906 5.34,907 8.4,908 9.925,909 5.325,910 15.371,911 8.206,912 11.998,913 1.582,914 14.712,915 4.724,916 9.096,917 10.763,918 5.65,919 17.437,920 8.873,921 13.379,922 1.47,923 16.494,924 3.366,925 10.379,926 12.428,927 6.625,928 19.922,929 10.128,930 3.257,931 1.413,932 18.296,933 3.292,934 11.29,935 13.489,936 7.116,937 22.179,938 11.008,939 2.824,940 11.438,941 20.114,942 3.037,943 12.474,944 15.029,945 7.98,946 24.616,947 12.165,948 2.755,949 9.38,950 21.946,951 4.146,952 13.499,953 16.222,954 8.564,955 26.964,956 13.158,957 2.715,958 8.388,959 23.79,960 3.676,961 14.648,962 17.694,963 9.366,964 29.389,965 14.28,966 2.586,967 8.011,968 25.644,969 3.672,970 15.734,971 18.968,972 10.003,973 31.78,974 15.334,975 2.463,976 7.652,977 27.507,978 3.662,979 16.876,980 20.403,981 10.77,982 34.206,983 16.448,984 2.442,985 7.093,986 29.378,987 3.17,988 17.996,989 21.727,990 11.439,991 36.618,992 17.537,993 60309,994 92603,995 38.66,996 64.535,997 84.565,998 86.973,999 85.817,1000 83.471,1001 83.466,1002 105.213,1003 20.627,1004 230.554,1005 80.843,1006 5.558,1007 5.906,1008 6.677,1009 5.311,1010 5.257,1011 7.146,1012 3.665,1013 19.055,1014 5.159,1015 23.404,1016 1.484,1017 1.526,1018 1.506,1019 1.464,1020 1.464,1021 1.846,1022 0.362,1023 4.045,1024 1.418,1025 4.058,1026 4.09,1027 4.013,1028 3.969,1029 7.435,1030 3.974,1031 3.955,1032 3.992,1033 3.886,1034 3.87,1035 7.428,1036 3.869,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.424,1042 3.844,1043 3.848,1044 3.874,1045 3.79,1046 3.767,1047 4.914,1048 3.767,1049 3.792,1050 3.847,1051 3.662,1052 3.654,1053 4.842,1054 3.646,1055 3.69,1056 3.749,1057 3.586,1058 3.493,1059 4.756,1060 3.502,1061 3.632,1062 3.678,1063 3.569,1064 3.419,1065 4.734,1066 3.452,1067 3.454,1068 3.491,1069 3.328,1070 3.232,1071 4.452,1072 3.254,1073 0.08,1074 0.069,1075 0.121,1076 0.074,1077 0.057,1078 4.558,1079 0.073,1080 3.906,1081 0.036,1082 6.875,1083 0.201,1084 4.227,1085 0.055,1086 3.257,1087 4.146,1088 2.062,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.047,1100 2.043,1101 1.196,1102 2.045,1103 1.914,1104 1.884,1105 2.036,1106 2.016,1107 1.17,1108 2.022,1109 1.835,1110 1.809,1111 1.985,1112 1.957,1113 1.132,1114 1.963,1115 1.789,1116 1.731,1117 1.95,1118 1.944,1119 1.127,1120 1.948,1121 1.642,1122 1.581,1123 1.88,1124 1.867,1125 1.039,1126 1.868,1127 1.576,1128 1.528,1129 1.716,1130 1.817,1131 0.825,1132 1.794,1133 1.377,1134 1.34,1135 1.595,1136 1.633,1137 0.825,1138 1.623,1139 4.745,1140 6.047,1142 7.532,1143 2.708,1144 9.1,1145 5.46,1146 10.715,1147 3.588,1152 8.527,1153 8.407,1154 11.832,1156 -1.194,1157 3.984,1159 61.238,1160 147.379,1161 355.595,1162 499.612,1163 585.122,1164 604.732,1165 606.732,1166 116.383,1167 9.331,1168 124.6,1169 124.6,1170 37,1171 13.035,1172 4.858,1173 4.087,1174 86.007,1175 382,1176 440,1177 0.103,1178 373.605,1179 667.81,1180 903.355,1181 240287,1183 36.288,1184 0.698,1185 0.572,1186 36.288,1187 29.769,1188 25.318,1189 0.444,1190 0.313,1191 17.611,1192 24.393,1193 17.193,1194 14.278,1195 25.318,1196 17.852,1197 22.456,1198 0.292,1199 0.17,1200 22.456,1201 13.115,1202 18.322,1203 0.187,1204 0.092,1205 18.322,1206 9.03,1207 15.263,1208 0.12,1209 0.05,1210 15.263,1211 6.393,1212 12.433,1213 0.077,1214 0.027,1215 12.433,1216 4.395,1217 0.171,1218 158.368,1219 0.161,1220 45.529,1221 0.261,1222 268,1223 766.612,1224 294.329,1225 734.68,1226 1000.63,1227 690,1228 309,1229 726.48,1230 335.445,1231 734.599,1232 1071.99,1233 691,1234 5.036}
{0 CHEMBL281082,1 1.748,2 19.62,3 3.243,4 10.516,5 193.733,6 8.29,7 0.426,8 4.551,9 4.676,10 4.239,11 4.108,12 5.735,13 4.077,14 5.048,15 5.209,16 4.588,17 4.475,18 6.256,19 4.414,20 5.303,21 5.495,22 4.654,23 4.599,24 6.482,25 4.537,26 5.372,27 5.571,28 4.744,29 4.642,30 6.55,31 4.572,32 5.423,33 5.616,34 4.767,35 4.66,36 6.77,37 4.616,38 5.474,39 5.675,40 4.723,41 4.683,42 6.693,43 4.624,44 5.482,45 5.688,46 4.676,47 4.652,48 6.701,49 4.593,50 5.46,51 5.676,52 4.674,53 4.616,54 6.773,55 4.554,56 0.157,57 1.378,58 16.208,59 7.346,60 22.91,61 8.825,62 0.627,63 2.15,64 35.154,65 13.012,66 56.244,67 15.981,68 0.944,69 2.545,70 44.627,71 15.116,72 110.308,73 19.001,74 0.787,75 2.655,76 54.581,77 18.184,78 109.786,79 21.941,80 1.239,81 2.772,82 52.572,83 16.738,84 181.361,85 20.962,86 0.996,87 2.838,88 54.842,89 18.68,90 127.007,91 23.345,92 1.037,93 2.788,94 57.165,95 17.995,96 153.77,97 22.25,98 1.286,99 2.665,100 59.323,101 18.934,102 191.425,103 23.579,104 52,105 73,106 0.259,107 0.6,108 0.762,109 0.856,110 0.891,111 0.896,112 3.934,113 0.974,114 -3.73,115 -3.69,116 -3.51,117 39.5,118 1,122 5,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 15,152 2,153 6,155 2,156 7,157 2,158 2,160 2,161 17,164 1,165 3,166 6,169 4,170 1,171 3,174 11,177 1,178 10,180 2,181 3,183 8,185 8,187 2,188 4,189 13,191 4,193 8,195 8,198 2,199 13,202 4,203 1,204 11,206 7,210 15,215 10,217 4,219 2,220 3,221 16,223 4,224 1,225 8,227 5,230 1,231 11,234 3,235 1,236 5,239 12,243 7484,244 33.567,245 33.567,246 33.567,247 33.567,248 33.567,249 29.731,250 39.929,251 20.34,252 34.459,253 26.736,254 26.736,255 26.736,256 26.736,257 26.736,258 20.867,259 52.45,260 9.799,261 28.134,262 4.678,263 2.375,264 1.286,265 0.649,266 0.413,267 0.381,268 4.633,273 2103,274 5.339,275 169.961,276 484.349,277 174.435,280 282.172,282 2.795,283 64.659,285 0.25,286 0.33,287 0.33,288 0.3,290 0.17,292 0.2,293 109,294 981,295 4.563,296 4.25,297 6.911,298 4.241,299 3.274,300 4.137,301 3.272,302 11.616,303 3.168,304 4.164,305 3.934,306 6.361,307 3.796,308 2.814,309 3.791,310 2.073,311 9.599,312 2.755,313 4.092,314 3.636,315 5.951,316 3.689,317 2.763,318 3.662,319 1.979,320 8.376,321 2.644,322 4.065,323 3.547,324 5.675,325 3.645,326 2.715,327 3.539,328 1.921,329 7.971,330 2.496,331 3.88,332 3.496,333 5.58,334 3.538,335 2.563,336 3.188,337 1.653,338 7.643,339 2.44,340 3.732,341 3.188,342 5.299,343 3.44,344 2.444,345 2.931,346 1.2,347 6.597,348 2.421,349 3.635,350 3.022,351 5.099,352 3.26,353 2.265,354 2.913,355 0.854,356 6.179,357 2.245,358 3.609,359 2.804,360 5.029,361 3.177,362 2.24,363 2.827,364 0.523,365 6.083,366 2.163,367 3.521,368 2.752,369 4.967,370 3.149,371 2.171,372 2.728,373 0.306,374 5.841,375 2.028,376 3.378,377 2.73,378 4.852,379 2.943,380 1.967,381 2.627,382 0.219,383 5.438,384 1.91,385 3.181,386 2.279,387 4.592,388 2.77,389 1.783,390 2.387,391 0.129,392 4.789,393 1.758,394 3.044,395 2.259,396 4.338,397 2.635,398 1.775,399 2.153,400 0.068,401 4.342,402 1.528,403 2.954,404 2.138,405 4.229,406 2.538,407 1.553,408 2.111,409 0.028,410 3.594,411 1.501,412 2.776,413 1.932,414 4.009,415 2.408,416 1.504,417 1.896,419 3.237,420 1.337,421 2.661,422 1.71,423 3.682,424 2.317,425 1.317,426 1.733,428 3.094,429 1.316,430 24,431 0.48,432 1.188,433 0.024,434 65.25,435 1.305,436 32.5,437 0.65,438 32.75,439 0.655,440 50.395,441 1.008,442 53.4,443 0.621,444 63.037,445 1.261,446 12.853,447 0.257,448 11.303,449 0.226,450 0.11,452 0.308,454 0.827,455 1.246,456 0.752,457 0.898,458 0.667,459 0.862,460 0.549,461 1.119,462 1.021,463 1.149,464 0.523,465 1.019,466 1.09,467 0.972,468 0.954,469 0.911,470 1.122,471 0.973,472 1.088,473 1.111,474 0.898,475 1.012,476 1.105,477 0.957,478 1.075,479 1.053,480 0.944,481 0.961,482 0.985,483 0.951,484 1.187,485 1.068,486 0.946,487 1.023,488 1.251,489 1.034,490 1.544,491 1.064,492 1.009,493 0.974,494 1.587,495 1.009,496 1.162,497 0.928,498 0.919,499 0.924,500 1.21,501 0.902,502 10,503 0.422,504 4.222,505 3.632,506 2.831,507 1.931,508 1.218,509 0.984,510 0.746,511 0.498,512 52044,513 158268,514 2.05,515 41.9,516 3,517 23,518 2,520 8,524 1.852,525 1.923,526 4.125,527 4.363,530 150.348,531 1.748,532 4.052,533 5.14,534 5.778,535 6.013,536 6.045,537 3.609,538 5.404,539 5.604,540 4.411,541 5403.22,542 9.978,543 116158,546 552.659,547 1.387,548 5.576,549 0.185,550 0.006,551 0.058,552 0.047,553 0.035,554 0.022,555 0.015,556 0.013,557 0.01,558 0.007,559 0.397,560 0.17,561 0.38,562 0.736,563 305.814,564 -0.126,565 -0.054,566 0.036,567 0.072,568 -0.098,569 0.057,570 0.241,571 0.022,572 -0.028,573 -0.091,574 0.102,575 -0.06,576 -0.04,577 0.08,578 -0.068,579 0.012,580 -0.123,581 -0.042,582 -0.036,583 -0.109,584 0.081,585 -0.014,586 -0.029,587 0.02,588 0.1,589 -0.019,590 -0.032,591 -0.042,592 0.178,593 -0.026,594 -0.039,595 -0.083,596 -0.06,597 -0.107,598 -0.06,599 -0.084,600 -0.258,601 -0.099,602 -0.101,603 -0.063,604 -0.186,605 -0.067,606 0.086,607 0.014,608 0.038,609 0.018,610 0.135,611 0.067,612 2.696,613 7.048,614 0.56,615 92.376,616 1.011,617 1.129,618 2.498,619 6.238,620 0.687,621 4.007,622 4.304,623 4.522,624 4.796,625 5.011,626 5.124,627 5.263,628 5.389,629 5.485,630 5.572,631 11.152,632 0.655,633 712.94,634 4.007,635 5.541,636 6.368,637 7.235,638 8.085,639 8.961,640 9.824,641 10.706,642 11.579,643 12.467,644 11.6,645 2,649 5,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 86,670 29,671 3,672 54,673 90,674 34,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,684 1,688 27,689 7,691 6,692 4,694 2,695 6,699 36,700 14,701 8,702 16,703 2,705 10,706 0.8,707 4,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 1,737 50,738 2,740 5,741 4,743 1,744 1,745 1,747 1,749 4.7,752 4,755 26,756 15.217,757 11.083,758 4.656,759 3.42,760 1.394,761 0.985,762 13.249,763 12.102,764 4.284,765 4.818,766 5.291,767 5.831,768 6.287,769 6.479,770 6.813,771 7.103,772 7.38,773 7.671,774 0.923,775 77,776 18.626,777 7.982,778 7.923,779 34.583,780 27.697,781 2.423,782 121.167,785 329.591,786 252.653,787 191.318,789 100.58,791 63.497,792 189.155,793 430.171,794 191.318,795 8.825,796 149.078,797 130.84,798 134.236,799 51.899,800 29.717,801 369.546,803 329.591,804 380.474,805 100.58,806 63.497,807 329.591,808 100.58,810 194.732,811 168.956,812 16.786,813 63.497,814 329.591,815 291.898,816 252.653,817 329.591,818 112.987,819 142.79,820 72.043,821 216.731,822 329.591,823 291.898,824 252.653,825 0.572,826 0.317,827 0.176,828 0.1,829 30,830 15,831 0.144,832 13,833 1,834 1.071,835 5.716,836 523.424,837 0.071,838 28,839 274.193,840 2,841 36.829,842 17.987,843 10.777,845 291.898,846 25.443,847 4.32,849 1.334,850 4.564,852 137.837,853 874.141,854 71.5,855 52.838,857 8.635,858 -1.791,859 86.967,860 97.058,861 0.272,862 0.63,863 0.8,864 0.899,865 0.936,866 0.941,867 5.512,868 2.24,869 6.337,870 6.179,871 4.99,872 5.507,873 3.945,874 7.107,875 4.901,876 6.699,877 2.171,878 7.866,879 6.083,880 4.511,881 5.19,882 2.831,883 7.926,884 4.417,885 7.985,886 1.967,887 9.495,888 5.841,889 6.538,890 7.583,891 5.729,892 11.047,893 6.371,894 9.3,895 1.783,896 11.186,897 5.438,898 6.868,899 8.052,900 4.431,901 12.754,902 6.691,903 10.646,904 1.775,905 12.92,906 4.789,907 8.358,908 9.924,909 7.904,910 15.406,911 8.123,912 12.012,913 1.553,914 14.685,915 4.342,916 9.085,917 10.786,918 5.896,919 17.514,920 8.831,921 13.396,922 1.504,923 16.476,924 3.594,925 10.353,926 12.423,927 10.211,928 20.012,929 10.056,930 3.274,931 1.317,932 18.287,933 3.237,934 11.288,935 13.505,936 7.32,937 22.303,938 10.964,939 2.814,940 11.616,941 20.115,942 3.094,943 12.468,944 15.023,945 12.56,946 24.755,947 12.108,948 2.763,949 9.599,950 21.957,951 4.137,952 13.51,953 16.233,954 8.729,955 27.129,956 13.122,957 2.715,958 8.376,959 23.811,960 3.791,961 14.662,962 17.689,963 14.924,964 29.569,965 14.242,966 2.563,967 7.971,968 25.675,969 3.662,970 15.761,971 18.974,972 10.134,973 31.981,974 15.311,975 2.444,976 7.643,977 27.549,978 3.539,979 16.909,980 20.398,981 17.292,982 34.422,983 16.429,984 2.265,985 6.597,986 29.429,987 3.188,988 18.04,989 21.729,990 11.539,991 36.852,992 17.529,993 49555,994 86678,995 35.887,996 59.069,997 80.868,998 85.866,999 81.83,1000 79.227,1001 79.32,1002 102.658,1003 28.452,1004 219.399,1005 75.692,1006 5.545,1007 6.25,1008 6.713,1009 5.385,1010 5.274,1011 7.137,1012 6.545,1013 19.23,1014 5.168,1015 27.313,1016 1.498,1017 1.59,1018 1.515,1019 1.467,1020 1.469,1021 1.901,1022 0.527,1023 4.063,1024 1.402,1025 4.052,1026 4.084,1027 4.235,1028 3.966,1029 7.439,1030 3.969,1031 3.925,1032 3.958,1033 4.006,1034 3.86,1035 7.429,1036 3.852,1037 3.862,1038 3.891,1039 3.861,1040 3.841,1041 7.425,1042 3.771,1043 3.834,1044 3.868,1045 3.831,1046 3.766,1047 7.422,1048 3.761,1049 3.725,1050 3.776,1051 3.765,1052 3.529,1053 5.336,1054 3.533,1055 3.634,1056 3.68,1057 3.62,1058 3.444,1059 4.877,1060 3.453,1061 3.54,1062 3.6,1063 3.561,1064 3.357,1065 4.804,1066 3.346,1067 3.45,1068 3.536,1069 3.397,1070 3.193,1071 4.754,1072 3.216,1073 0.084,1074 0.079,1075 0.128,1076 0.079,1077 0.061,1078 4.563,1079 0.077,1080 4.25,1081 0.061,1082 6.911,1083 0.215,1084 4.241,1085 0.059,1086 3.274,1087 4.137,1088 3.272,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.057,1094 2.042,1095 1.175,1096 2.047,1097 1.914,1098 1.884,1099 2.037,1100 2.018,1101 1.132,1102 2.022,1103 1.839,1104 1.809,1105 1.961,1106 1.96,1107 1.121,1108 1.955,1109 1.656,1110 1.609,1111 1.82,1112 1.882,1113 1.05,1114 1.875,1115 1.598,1116 1.557,1117 1.731,1118 1.819,1119 0.913,1120 1.801,1121 1.523,1122 1.48,1123 1.65,1124 1.769,1125 0.859,1126 1.736,1127 1.456,1128 1.405,1129 1.602,1130 1.71,1131 0.786,1132 1.709,1133 1.41,1134 1.354,1135 1.551,1136 1.613,1137 0.669,1138 1.621,1139 4.691,1140 5.994,1141 2.398,1142 7.466,1143 4.727,1144 9.021,1145 6.843,1146 10.627,1147 1.899,1150 10.76,1152 0.911,1153 10.778,1155 1.569,1156 -1.363,1157 1.271,1159 56.296,1160 150.348,1161 348.437,1162 442.024,1163 496.884,1164 517.149,1165 519.904,1166 137.013,1167 8.682,1168 209.29,1169 262.83,1170 30,1171 13.001,1172 4.907,1173 4.209,1174 90.633,1175 316,1176 436,1177 0.129,1178 356.367,1179 628.66,1180 861.296,1181 91931,1183 35.459,1184 0.709,1185 0.574,1186 36.166,1187 28.722,1188 24.156,1189 0.447,1190 0.325,1191 15.451,1192 22.321,1193 14.92,1194 12.374,1195 25.11,1196 17.528,1197 21.743,1198 0.298,1199 0.177,1200 22.819,1201 12.935,1202 16.8,1203 0.185,1204 0.098,1205 18.015,1206 8.906,1207 14.21,1208 0.118,1209 0.054,1210 15.524,1211 6.49,1212 11.384,1213 0.076,1214 0.03,1215 12.491,1216 4.399,1217 0.209,1218 160.85,1219 0.167,1220 43.686,1221 0.336,1222 254,1223 801.199,1224 324.15,1225 818.494,1226 1094.67,1227 762,1228 291,1229 757.232,1230 350.866,1231 789.497,1232 1147.68,1233 740,1234 6.119}
{0 CHEMBL281318,1 1.688,2 25.444,3 3.995,4 15.958,5 212.27,6 7.848,7 0.397,8 4.666,9 4.796,10 4.304,11 4.218,12 5.801,13 4.176,14 5.183,15 5.357,16 4.64,17 4.592,18 6.323,19 4.514,20 5.455,21 5.669,22 4.699,23 4.718,24 6.547,25 4.636,26 5.513,27 5.73,28 4.773,29 4.753,30 6.631,31 4.658,32 5.548,33 5.766,34 4.726,35 4.752,36 6.718,37 4.671,38 5.559,39 5.786,40 4.654,41 4.748,42 6.646,43 4.645,44 5.548,45 5.78,46 4.592,47 4.688,48 6.667,49 4.582,50 5.479,51 5.722,52 4.504,53 4.622,54 6.622,55 4.504,56 0.114,57 1.533,58 20.28,59 8.701,60 21.232,61 11.084,62 0.624,63 2.403,64 42.351,65 15.399,66 61.575,67 19.896,68 0.81,69 2.86,70 55.557,71 18.277,72 111.107,73 24.503,74 0.772,75 2.965,76 64.849,77 21.209,78 119.514,79 27.107,80 1.043,81 3.032,82 63.372,83 19.763,84 150.287,85 26.174,86 0.753,87 2.989,88 63.095,89 21.648,90 116.295,91 28.684,92 0.987,93 2.887,94 65.737,95 20.317,96 149.589,97 26.977,98 1,99 2.641,100 63.864,101 20.837,102 156.185,103 27.23,104 52,105 77,106 0.245,107 0.583,108 0.769,109 0.864,110 0.894,111 0.898,112 4.009,113 1.009,114 -4.44,115 -4.37,116 -4.12,117 38.8,119 5,121 1,122 4,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 18,152 2,153 8,155 2,156 7,157 2,158 5,160 2,161 19,164 1,165 2,166 8,169 2,171 6,174 12,177 1,178 14,180 2,181 3,183 12,185 9,187 2,188 2,189 14,191 2,193 9,195 11,199 13,202 2,203 1,204 9,206 12,210 14,213 1,214 1,215 8,217 10,219 2,220 2,221 12,223 3,224 1,225 5,227 11,230 1,231 8,234 1,236 3,239 17,243 9084,244 36.396,245 36.396,246 36.396,247 36.396,248 36.396,249 32.612,250 44.866,251 22.28,252 37.305,253 28.716,254 28.716,255 28.716,256 28.716,257 28.716,258 22.867,259 59.105,260 10.739,261 30.115,262 4.927,263 2.59,264 1.308,265 0.651,266 0.444,267 0.416,268 4.708,273 2949,274 5.701,275 201.524,276 577.283,277 198.909,280 332.301,282 4.078,283 62.96,285 0.25,286 0.33,287 0.33,288 0.7,289 1,290 0.17,292 0.4,293 117,294 1374,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.164,305 3.906,306 6.31,307 3.78,308 2.798,309 3.791,310 2.062,311 9.331,312 2.744,313 4.119,314 3.615,315 5.941,316 3.731,317 2.763,318 3.696,319 1.987,320 8.334,321 2.706,322 4.049,323 3.573,324 5.679,325 3.645,326 2.744,327 3.53,328 1.907,329 7.971,330 2.503,331 3.89,332 3.532,333 5.675,334 3.552,335 2.58,336 3.173,337 1.653,338 7.965,339 2.44,340 3.705,341 3.188,342 5.31,343 3.396,344 2.403,345 2.934,346 1.2,347 6.826,348 2.387,349 3.66,350 3.022,351 5.137,352 3.384,353 2.381,354 2.913,355 0.85,356 6.101,357 2.367,358 3.633,359 2.801,360 5.038,361 3.15,362 2.241,363 2.828,364 0.488,365 6.075,366 2.128,367 3.526,368 2.752,369 5.027,370 3.149,371 2.155,372 2.748,373 0.324,374 5.988,375 2.028,376 3.394,377 2.741,378 4.849,379 2.964,380 1.995,381 2.664,382 0.219,383 5.478,384 1.926,385 3.16,386 2.279,387 4.608,388 2.783,389 1.805,390 2.346,391 0.149,392 4.834,393 1.768,394 3.044,395 2.26,396 4.338,397 2.677,398 1.779,399 2.153,400 0.129,401 4.342,402 1.66,403 2.957,404 2.19,405 4.201,406 2.622,407 1.663,408 2.116,409 0.03,410 3.534,411 1.53,412 2.776,413 1.899,414 4.003,415 2.54,416 1.551,417 1.896,419 3.491,420 1.5,421 2.746,422 1.86,423 3.783,424 2.407,425 1.496,426 1.757,428 3.189,429 1.341,430 26,431 0.481,432 1.188,433 0.022,434 67.25,435 1.245,436 32.5,437 0.602,438 34.75,439 0.644,440 56.966,441 1.055,442 58.6,443 0.598,444 62.202,445 1.152,446 12.89,447 0.239,448 13.266,449 0.246,450 0.101,452 0.285,454 0.813,455 1.269,456 0.782,457 0.949,458 0.653,459 0.92,460 0.541,461 1.125,462 1.024,463 1.161,464 0.506,465 1.057,466 1.098,467 1.007,468 0.92,469 0.914,470 1.065,471 0.954,472 1.083,473 1.089,474 0.91,475 1.007,476 1.105,477 0.976,478 1.237,479 1.017,480 1.003,481 0.962,482 1.176,483 0.985,484 1.07,485 1.071,486 0.944,487 1.032,488 1.081,489 1.051,490 1.36,491 0.993,492 1.04,493 0.99,494 1.409,495 1.024,496 1.036,497 0.912,498 1.003,499 0.988,500 1.096,501 0.96,502 10,503 0.298,504 4.222,505 3.882,506 2.631,507 1.799,508 1.124,509 0.759,510 0.586,511 0.385,512 78506,513 227456,514 2.046,515 44.9,516 4,517 24,518 2,520 8,521 4,522 2,524 1.86,525 1.929,526 4.495,527 4.243,530 165.386,531 1.688,532 4.025,533 5.307,534 5.964,535 6.171,536 6.199,537 3.961,538 5.533,539 5.722,540 4.812,541 6885.87,542 10.148,543 177058,546 648.242,547 1.343,548 5.691,549 0.172,550 0.005,551 0.055,552 0.048,553 0.032,554 0.022,555 0.015,556 0.011,557 0.009,558 0.006,559 0.375,561 0.38,562 0.702,563 348.268,564 -0.102,565 -0.053,566 0.043,567 0.061,568 -0.074,569 0.048,570 0.246,571 0.019,572 -0.022,573 -0.09,574 0.117,575 -0.067,576 -0.075,577 0.027,578 -0.016,579 0.025,580 -0.088,581 0.007,582 -0.023,583 -0.091,584 0.072,585 -0.009,586 -0.013,587 0.011,588 -0.075,589 -0.001,590 -0.07,591 -0.028,592 -0.021,593 -0.035,594 -0.048,595 -0.105,596 -0.039,597 -0.088,598 -0.037,599 -0.066,600 -0.157,601 -0.037,602 -0.083,603 -0.045,604 -0.122,605 -0.056,606 0.067,607 0.015,608 -0.003,609 0.001,610 0.088,611 0.042,612 2.501,613 6.444,614 0.519,615 112.284,616 1.005,617 1.13,618 3.21,619 10.303,620 0.675,621 4.078,622 4.357,623 4.564,624 4.812,625 4.99,626 5.094,627 5.204,628 5.278,629 5.328,630 5.394,631 14.669,632 0.637,633 769.06,634 4.078,635 5.602,636 6.422,637 7.277,638 8.117,639 8.982,640 9.834,641 10.706,642 11.567,643 12.444,644 10.2,645 2,649 5,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 98,670 29,671 3,672 58,673 102,674 38,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,687 5,688 27,689 11,691 6,692 4,694 2,695 6,699 44,700 14,701 8,702 16,703 2,705 10,706 0.8,707 4,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 1,737 54,738 2,740 9,741 4,743 1,744 1,745 1,747 1,749 4.1,752 4,755 28,756 17.217,757 12.083,758 5.631,759 4.086,760 1.455,761 0.976,762 15.738,763 13.067,764 4.337,765 4.85,766 5.316,767 5.847,768 6.282,769 6.487,770 6.812,771 7.075,772 7.293,773 7.572,774 1,775 81,776 20.076,777 8.475,778 7.855,779 37.849,780 30.371,781 2.355,782 127.167,785 423.76,786 262.791,787 191.318,789 100.58,791 63.497,792 199.293,793 524.339,794 191.318,795 8.396,796 159.645,797 130.84,798 134.236,799 51.899,800 29.717,801 463.715,803 423.76,804 390.612,805 100.58,806 63.497,807 400.217,808 124.122,810 196.474,811 177.353,812 16.786,813 63.497,814 423.76,815 291.898,816 262.791,817 423.76,818 123.554,819 142.361,820 72.043,821 216.731,822 423.76,823 291.898,824 262.791,825 0.567,826 0.315,827 0.173,828 0.093,829 30,830 15,831 0.167,832 17,833 1,834 1.071,835 6.322,836 542.208,837 0.071,838 28,839 302.764,840 2,841 40.737,842 20.861,843 12.841,845 291.898,846 25.907,847 4.336,849 1.377,850 4.904,852 137.837,853 978.448,854 75.5,855 51.405,857 8.646,858 -0.55,859 98.501,860 110.719,861 0.255,862 0.609,863 0.802,864 0.902,865 0.933,866 0.937,867 5.56,868 2.241,869 6.378,870 6.101,871 5.043,872 5.539,873 3.942,874 7.13,875 4.96,876 6.733,877 2.155,878 7.896,879 6.075,880 4.511,881 5.19,882 2.831,883 7.91,884 4.417,885 8.01,886 1.995,887 9.515,888 5.988,889 6.572,890 7.597,891 5.725,892 11.03,893 6.417,894 9.319,895 1.805,896 11.198,897 5.478,898 6.868,899 8.056,900 4.423,901 12.703,902 6.697,903 10.66,904 1.779,905 12.924,906 4.834,907 8.374,908 9.932,909 7.903,910 15.344,911 8.157,912 12.023,913 1.663,914 14.682,915 4.342,916 9.079,917 10.792,918 5.879,919 17.418,920 8.839,921 13.403,922 1.551,923 16.465,924 3.534,925 10.352,926 12.43,927 10.21,928 19.902,929 10.076,930 3.254,931 1.496,932 18.269,933 3.491,934 11.27,935 13.512,936 7.295,937 22.164,938 10.969,939 2.798,940 11.429,941 20.089,942 3.189,943 12.449,944 15.03,945 12.56,946 24.601,947 12.116,948 2.763,949 9.331,950 21.923,951 4.133,952 13.479,953 16.239,954 8.698,955 26.95,956 13.118,957 2.744,958 8.334,959 23.769,960 3.791,961 14.625,962 17.694,963 14.924,964 29.375,965 14.236,966 2.58,967 7.971,968 25.625,969 3.696,970 15.714,971 18.98,972 10.095,973 31.767,974 15.295,975 2.403,976 7.965,977 27.49,978 3.53,979 16.855,980 20.403,981 17.292,982 34.191,983 16.408,984 2.381,985 6.826,986 29.363,987 3.173,988 17.976,989 21.733,990 11.493,991 36.604,992 17.5,993 74375,994 126829,995 38.66,996 66.114,997 85.583,998 91.075,999 86.866,1000 84.239,1001 84.32,1002 107.629,1003 28.54,1004 229.2,1005 80.713,1006 5.53,1007 6.25,1008 6.703,1009 5.366,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 29.488,1016 1.476,1017 1.57,1018 1.498,1019 1.452,1020 1.454,1021 1.856,1022 0.492,1023 3.952,1024 1.392,1025 4.05,1026 4.084,1027 4.235,1028 3.967,1029 7.437,1030 3.969,1031 3.944,1032 3.975,1033 4.002,1034 3.873,1035 7.428,1036 3.868,1037 3.864,1038 3.895,1039 3.883,1040 3.844,1041 7.427,1042 3.772,1043 3.829,1044 3.862,1045 3.832,1046 3.764,1047 7.424,1048 3.758,1049 3.782,1050 3.837,1051 3.758,1052 3.636,1053 5.336,1054 3.627,1055 3.652,1056 3.707,1057 3.641,1058 3.478,1059 4.878,1060 3.462,1061 3.618,1062 3.671,1063 3.579,1064 3.421,1065 4.804,1066 3.436,1067 3.503,1068 3.569,1069 3.5,1070 3.346,1071 4.738,1072 3.33,1073 0.079,1074 0.073,1075 0.119,1076 0.073,1077 0.056,1078 4.553,1079 0.071,1080 4.25,1081 0.056,1082 6.873,1083 0.197,1084 4.224,1085 0.054,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.041,1095 1.342,1096 2.047,1097 1.924,1098 1.897,1099 2.039,1100 2.03,1101 1.176,1102 2.033,1103 1.837,1104 1.806,1105 1.997,1106 1.952,1107 1.169,1108 1.965,1109 1.765,1110 1.708,1111 1.961,1112 1.941,1113 1.118,1114 1.948,1115 1.618,1116 1.576,1117 1.797,1118 1.835,1119 1.036,1120 1.83,1121 1.578,1122 1.531,1123 1.717,1124 1.806,1125 0.976,1126 1.794,1127 1.515,1128 1.467,1129 1.695,1130 1.767,1131 0.85,1132 1.732,1133 1.456,1134 1.405,1135 1.609,1136 1.686,1137 0.825,1138 1.702,1139 4.762,1140 6.052,1141 2.398,1142 7.51,1143 4.727,1144 9.052,1145 6.843,1146 10.645,1147 1.661,1150 10.745,1152 5.391,1153 11.347,1155 1.667,1156 -1.168,1157 1.499,1159 62.403,1160 165.386,1161 394.461,1162 520.097,1163 584.467,1164 604.732,1165 607.487,1166 151.018,1167 8.981,1168 209.29,1169 262.83,1170 30,1171 12.986,1172 4.907,1173 4.209,1174 103.534,1175 478,1176 536,1177 0.099,1178 394.736,1179 697.86,1180 954.917,1181 167549,1183 38.288,1184 0.709,1185 0.584,1186 38.995,1187 31.55,1188 26.156,1189 0.451,1190 0.336,1191 17.431,1192 24.304,1193 16.869,1194 14.01,1195 27.11,1196 19.513,1197 23.114,1198 0.3,1199 0.186,1200 24.189,1201 14.299,1202 17.979,1203 0.189,1204 0.105,1205 19.193,1206 9.969,1207 14.953,1208 0.123,1209 0.059,1210 16.266,1211 7.167,1212 11.478,1213 0.079,1214 0.033,1215 12.585,1216 4.79,1217 0.169,1218 172.935,1219 0.161,1220 47.789,1221 0.241,1222 270,1223 817.199,1224 339.817,1225 834.993,1226 1117.11,1227 778,1228 307,1229 771.88,1230 366.034,1231 804.94,1232 1167.2,1233 755,1234 6.721}
{0 CHEMBL282175,1 1.704,2 22.981,3 3.946,4 15.567,5 211.387,6 7.939,7 0.397,8 4.661,9 4.784,10 4.307,11 4.207,12 5.807,13 4.17,14 5.173,15 5.337,16 4.641,17 4.578,18 6.341,19 4.505,20 5.435,21 5.64,22 4.704,23 4.703,24 6.53,25 4.626,26 5.503,27 5.71,28 4.788,29 4.732,30 6.633,31 4.651,32 5.532,33 5.729,34 4.776,35 4.747,36 6.759,37 4.682,38 5.587,39 5.803,40 4.74,41 4.764,42 6.693,43 4.685,44 5.579,45 5.794,46 4.752,47 4.72,48 6.832,49 4.649,50 5.547,51 5.766,52 4.688,53 4.685,54 6.742,55 4.613,56 0.135,57 1.492,58 19.744,59 8.696,60 22.318,61 10.783,62 0.74,63 2.328,64 41.414,65 15.29,66 66.579,67 19.203,68 0.901,69 2.805,70 54.751,71 18.047,72 108.159,73 23.553,74 0.883,75 2.917,76 63.908,77 20.622,78 125.663,79 25.688,80 1.319,81 2.979,82 60.749,83 19.485,84 167.159,85 24.61,86 0.911,87 3.053,88 65.306,89 21.828,90 115.317,91 28.082,92 1.349,93 2.977,94 66.567,95 20.451,96 201.249,97 26.722,98 1.225,99 2.844,100 66.76,101 20.946,102 161.302,103 26.643,104 52,105 77,106 0.247,107 0.595,108 0.782,109 0.869,110 0.896,111 0.9,112 4.009,113 0.998,114 -3.22,115 -3.21,116 -3.08,117 39.2,118 1,119 2,122 6,125 1,129 1,131 1,132 13,133 3,134 2,136 1,138 1,140 1,141 2,142 2,143 1,145 2,146 2,147 2,150 16,152 2,153 7,156 6,157 2,158 6,160 2,161 18,163 2,164 1,165 3,166 7,169 2,171 5,174 11,177 1,178 12,180 2,181 3,183 8,185 8,187 2,188 4,189 14,191 4,192 1,193 6,195 10,198 1,199 13,202 2,204 8,206 8,209 3,210 18,213 3,215 10,217 4,219 2,220 3,221 17,223 3,224 1,225 8,227 5,231 12,236 3,239 15,243 9448,244 36.396,245 36.396,246 36.396,247 36.396,248 36.396,249 32.56,250 42.921,251 22.26,252 37.378,253 28.719,254 28.719,255 28.719,256 28.719,257 28.719,258 22.84,259 54.768,260 10.707,261 30.221,262 4.896,263 2.502,264 1.21,265 0.616,266 0.428,267 0.4,268 4.708,273 2655,274 5.701,275 194.608,276 544.788,277 199.045,280 320.53,282 3.207,283 66.185,285 0.25,286 0.33,287 0.33,288 0.7,289 1,290 0.17,292 0.4,293 117.5,294 1241,295 4.56,296 4.25,297 6.908,298 4.237,299 3.269,300 4.136,301 3.272,302 11.598,303 3.164,304 4.164,305 3.917,306 6.354,307 3.784,308 2.804,309 3.791,310 2.186,311 9.561,312 2.742,313 4.086,314 3.638,315 5.949,316 3.683,317 2.763,318 3.662,319 2.062,320 8.366,321 2.64,322 4.057,323 3.573,324 5.675,325 3.663,326 2.709,327 3.535,328 1.907,329 7.971,330 2.488,331 3.88,332 3.535,333 5.579,334 3.53,335 2.556,336 3.177,337 1.653,338 7.643,339 2.482,340 3.677,341 3.188,342 5.239,343 3.398,344 2.41,345 2.913,346 0.85,347 6.318,348 2.387,349 3.642,350 2.89,351 5.051,352 3.301,353 2.345,354 2.85,355 0.488,356 6.131,357 2.212,358 3.632,359 2.835,360 5.03,361 3.227,362 2.241,363 2.832,364 0.4,365 6.084,366 2.186,367 3.595,368 2.731,369 5.017,370 3.183,371 2.235,372 2.807,373 0.366,374 6.042,375 2.105,376 3.413,377 2.554,378 4.957,379 3.008,380 2.041,381 2.699,382 0.219,383 5.737,384 1.966,385 3.182,386 2.264,387 4.593,388 2.77,389 1.79,390 2.391,391 0.149,392 4.79,393 1.758,394 3.044,395 2.196,396 4.338,397 2.655,398 1.775,399 2.153,400 0.03,401 4.342,402 1.578,403 2.982,404 2.139,405 4.281,406 2.591,407 1.61,408 2.136,410 3.758,411 1.532,412 2.778,413 2.053,414 4.016,415 2.493,416 1.558,417 1.899,419 3.328,420 1.447,421 2.661,422 1.817,423 3.726,424 2.34,425 1.409,426 1.733,428 3.117,429 1.322,430 25.933,431 0.48,432 1.188,433 0.022,434 66.75,435 1.236,436 32,437 0.593,438 34.75,439 0.644,440 57.737,441 1.069,442 58.667,443 0.605,444 64.674,445 1.198,446 13.135,447 0.243,448 13.02,449 0.241,450 0.102,452 0.285,454 0.829,455 1.248,456 0.775,457 0.949,458 0.664,459 0.911,460 0.606,461 1.155,462 1.036,463 1.135,464 0.511,465 1.044,466 1.07,467 1.015,468 0.972,469 0.943,470 1.029,471 0.967,472 1.173,473 1.09,474 0.931,475 0.992,476 1.201,477 0.961,478 1.256,479 0.997,480 1.031,481 0.961,482 1.264,483 1,484 1.175,485 1.087,486 0.965,487 1.028,488 1.051,489 1.014,490 1.213,491 1.037,492 0.952,493 0.97,494 1.193,495 0.963,496 1.254,497 0.964,498 0.997,499 0.973,500 1.337,501 0.923,502 10,503 0.331,504 4.444,505 3.882,506 2.591,507 1.734,508 1.303,509 0.915,510 0.681,511 0.511,512 70160,513 204006,514 2.046,515 44.3,516 3,517 26,518 2,520 8,521 2,522 2,524 1.866,525 1.929,526 4.34,527 4.243,530 165.302,531 1.704,532 4.098,533 5.39,534 5.984,535 6.172,536 6.2,537 3.806,538 5.57,539 5.717,540 4.644,541 6645.73,542 10.177,543 160189,546 640.192,547 1.343,548 5.691,549 0.172,550 0.005,551 0.058,552 0.048,553 0.031,554 0.02,555 0.016,556 0.011,557 0.009,558 0.007,559 0.376,560 0.17,561 0.38,562 0.702,563 342.485,564 -0.102,565 -0.041,566 0.043,567 0.056,568 -0.083,569 0.048,570 0.243,571 -0.019,572 -0.033,573 -0.066,574 0.125,575 -0.063,576 -0.065,577 0.037,578 -0.043,579 0.011,580 -0.105,581 -0.01,582 -0.066,583 -0.082,584 0.056,585 -0.004,586 -0.061,587 0.011,588 -0.005,589 0.039,590 -0.1,591 -0.032,592 -0.017,593 -0.07,594 -0.069,595 -0.107,596 -0.036,597 -0.086,598 -0.037,599 -0.045,600 0.05,601 -0.065,603 -0.038,604 0.108,605 -0.011,606 0.012,607 -0.007,608 -0.009,609 -0.013,610 0.003,611 0.043,612 2.61,613 7.056,614 0.519,615 111.658,616 1.007,617 1.128,618 1.992,619 3.967,620 0.676,621 4.078,622 4.357,623 4.564,624 4.82,625 5.011,626 5.13,627 5.273,628 5.375,629 5.464,630 5.561,631 13.059,632 0.64,633 770.04,634 4.078,635 5.602,636 6.422,637 7.279,638 8.12,639 8.988,640 9.843,641 10.718,642 11.584,643 12.465,644 9.3,645 2,649 5,651 1,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 97,670 29,671 3,672 58,673 101,674 38,675 21,676 5,677 13,678 3,679 5,680 6,683 1,684 1,687 2,688 28,689 10,691 6,692 4,693 1,694 1,695 6,699 43,700 14,701 8,702 16,703 2,705 9,706 0.8,707 5,712 1,713 3,714 1,717 1,719 1,720 1,722 1,723 1,725 2,728 1,731 4,732 1,733 2,734 1,737 54,738 2,740 8,741 4,742 1,743 1,744 1,745 1,747 1,749 5.2,752 4,754 1,755 28,756 17.017,757 12.083,758 5.472,759 3.36,760 1.383,761 0.975,762 15.762,763 12.141,764 4.337,765 4.85,766 5.311,767 5.837,768 6.268,769 6.467,770 6.801,771 7.07,772 7.34,773 7.638,774 0.933,775 81,776 20.107,777 8.503,778 7.873,779 37.697,780 30.116,781 2.373,782 128.167,785 411.989,786 274.706,787 174.533,789 111.58,791 63.497,792 211.209,793 523.568,794 174.533,795 8.825,796 158.74,797 140.317,798 130.461,799 47.94,800 34.581,801 451.944,803 411.989,804 385.741,805 111.58,806 63.497,807 388.446,808 135.122,810 188.037,811 171.443,812 26.262,813 63.497,814 411.989,815 286.112,816 274.706,817 411.989,818 125.564,819 152.266,820 72.043,821 210.945,822 411.989,823 286.112,824 274.706,825 0.567,826 0.313,827 0.172,828 0.093,829 30,830 15,831 0.168,832 17,833 1,834 1.071,835 6.163,836 559.452,837 0.071,838 28,839 302.764,840 2,841 40.763,842 20.88,843 12.855,845 286.112,846 25.954,847 4.436,849 1.466,850 5.226,852 137.837,853 972.807,854 75.5,855 51.976,856 1.619,857 4.762,858 -1.143,859 97.727,860 109.43,861 0.258,862 0.621,863 0.817,864 0.907,865 0.935,866 0.939,867 5.56,868 2.241,869 6.378,870 6.131,871 5.043,872 5.539,873 3.931,874 7.132,875 4.952,876 6.733,877 2.235,878 7.896,879 6.084,880 4.511,881 5.19,882 2.841,883 7.926,884 4.412,885 8.01,886 2.041,887 9.516,888 6.042,889 6.572,890 7.595,891 5.751,892 11.046,893 6.402,894 9.319,895 1.79,896 11.199,897 5.737,898 6.868,899 8.052,900 4.544,901 12.749,902 6.684,903 10.659,904 1.775,905 12.927,906 4.79,907 8.375,908 9.927,909 7.923,910 15.394,911 8.137,912 12.021,913 1.61,914 14.689,915 4.342,916 9.082,917 10.785,918 6.104,919 17.502,920 8.823,921 13.402,922 1.558,923 16.476,924 3.758,925 10.357,926 12.423,927 10.222,928 19.997,929 10.056,930 3.269,931 1.409,932 18.285,933 3.328,934 11.28,935 13.503,936 7.625,937 22.287,938 10.953,939 2.804,940 11.598,941 20.111,942 3.117,943 12.462,944 15.021,945 12.566,946 24.737,947 12.1,948 2.763,949 9.561,950 21.951,951 4.136,952 13.497,953 16.23,954 9.136,955 27.109,956 13.107,957 2.709,958 8.366,959 23.804,960 3.791,961 14.648,962 17.686,963 14.926,964 29.548,965 14.227,966 2.556,967 7.971,968 25.668,969 3.662,970 15.743,971 18.971,972 10.646,973 31.959,974 15.292,975 2.41,976 7.643,977 27.54,978 3.535,979 16.89,980 20.395,981 17.293,982 34.398,983 16.409,984 2.345,985 6.318,986 29.42,987 3.177,988 18.018,989 21.725,990 12.158,991 36.827,992 17.508,993 66811,994 114158,995 38.66,996 65.563,997 85.761,998 91.453,999 86.873,1000 84.275,1001 84.381,1002 107.71,1003 27.165,1004 229.447,1005 80.456,1006 5.548,1007 6.25,1008 6.709,1009 5.378,1010 5.269,1011 7.136,1012 6.545,1013 19.211,1014 5.164,1015 29.249,1016 1.479,1017 1.577,1018 1.498,1019 1.453,1020 1.455,1021 1.857,1022 0.468,1023 3.956,1024 1.387,1025 4.053,1026 4.085,1027 4.24,1028 3.969,1029 7.439,1030 3.97,1031 3.926,1032 3.959,1033 4.005,1034 3.882,1035 7.432,1036 3.853,1037 3.881,1038 3.906,1039 3.862,1040 3.851,1041 7.427,1042 3.805,1043 3.832,1044 3.866,1045 3.833,1046 3.766,1047 7.424,1048 3.76,1049 3.766,1050 3.819,1051 3.762,1052 3.589,1053 5.283,1054 3.587,1055 3.646,1056 3.689,1057 3.639,1058 3.463,1059 4.878,1060 3.47,1061 3.598,1062 3.651,1063 3.574,1064 3.436,1065 4.787,1066 3.403,1067 3.516,1068 3.578,1069 3.489,1070 3.296,1071 4.753,1072 3.324,1073 0.079,1074 0.073,1075 0.119,1076 0.073,1077 0.056,1078 4.56,1079 0.071,1080 4.25,1081 0.056,1082 6.908,1083 0.2,1084 4.237,1085 0.055,1086 3.269,1087 4.136,1088 3.272,1089 11.598,1090 3.164,1091 1.964,1092 1.94,1093 2.057,1094 2.042,1095 1.226,1096 2.048,1097 1.914,1098 1.884,1099 2.037,1100 2.017,1101 1.185,1102 2.022,1103 1.839,1104 1.809,1105 1.963,1106 1.957,1107 1.132,1108 1.956,1109 1.713,1110 1.659,1111 1.93,1112 1.926,1113 1.108,1114 1.929,1115 1.612,1116 1.567,1117 1.775,1118 1.83,1119 1.08,1120 1.818,1121 1.601,1122 1.559,1123 1.754,1124 1.801,1125 0.969,1126 1.795,1127 1.578,1128 1.545,1129 1.708,1130 1.774,1131 0.855,1132 1.772,1133 1.452,1134 1.404,1135 1.625,1136 1.687,1137 0.759,1138 1.689,1139 4.762,1140 6.052,1141 2.398,1142 7.51,1143 4.727,1144 9.053,1145 6.843,1146 10.647,1147 1.912,1150 10.971,1152 2.7,1153 11.029,1154 5.418,1155 1.651,1156 -1.276,1157 1.464,1159 62.096,1160 165.302,1161 397.534,1162 522.802,1163 580.417,1164 598.682,1165 601.437,1166 152.619,1167 8.781,1168 206.16,1169 259.7,1170 30,1171 13.004,1172 4.907,1173 4.209,1174 102.923,1175 408,1176 532,1177 0.113,1178 391.938,1179 695.65,1180 948.09,1181 112741,1183 38.288,1184 0.709,1185 0.581,1186 38.995,1187 31.382,1188 26.156,1189 0.451,1190 0.333,1191 17.201,1192 24.234,1193 16.65,1194 13.803,1195 27.11,1196 19.298,1197 23.146,1198 0.301,1199 0.183,1200 24.221,1201 14.106,1202 17.852,1203 0.188,1204 0.102,1205 19.066,1206 9.709,1207 14.978,1208 0.122,1209 0.057,1210 16.292,1211 7.06,1212 11.566,1213 0.078,1214 0.032,1215 12.673,1216 4.729,1217 0.188,1218 173.35,1219 0.161,1220 47.062,1221 0.285,1222 270,1223 841.29,1224 341.247,1225 851.181,1226 1137.31,1227 794,1228 307,1229 783.87,1230 367.747,1231 814.031,1232 1182.54,1233 764,1234 5.357}
{0 CHEMBL282645,1 1.516,2 25.862,3 5.743,4 32.977,5 223.457,6 7.1,7 0.381,8 4.785,9 4.911,10 4.302,11 4.294,12 5.848,13 4.27,14 5.344,15 5.528,16 4.636,17 4.678,18 6.392,19 4.626,20 5.639,21 5.855,22 4.737,23 4.847,24 6.674,25 4.771,26 5.692,27 5.926,28 4.723,29 4.845,30 6.715,31 4.762,32 5.688,33 5.912,34 4.75,35 4.862,36 6.792,37 4.782,38 5.698,39 5.924,40 4.744,41 4.856,42 6.767,43 4.776,44 5.706,45 5.937,46 4.705,47 4.808,48 6.811,49 4.732,50 5.637,51 5.866,52 4.648,53 4.758,54 6.73,55 4.679,56 0.037,57 1.612,58 24.033,59 10.092,60 13.589,61 13.695,62 0.593,63 2.574,64 45.741,65 16.564,66 58.069,67 23.279,68 0.934,69 3.197,70 64.436,71 21.8,72 115.44,73 30.895,74 0.82,75 3.272,76 68.963,77 22.784,78 116.827,79 32.663,80 1.098,81 3.277,82 68.489,83 22.853,84 150.085,85 32.418,86 0.698,87 3.278,88 68.826,89 23.363,90 121.04,91 33.162,92 1.083,93 3.193,94 71.073,95 22.448,96 161.905,97 31.818,98 1.087,99 2.986,100 66.23,101 21.496,102 144.579,103 30.235,104 37,105 84,106 0.215,107 0.517,108 0.736,109 0.867,110 0.9,111 0.902,112 4.079,113 0.953,114 -4.29,115 -4.23,116 -3.99,117 40.5,118 1,119 6,121 1,122 7,125 1,132 16,133 4,134 4,140 1,141 3,142 1,150 20,152 1,153 13,156 5,157 1,158 5,161 20,165 3,166 13,169 3,171 4,174 12,177 1,178 14,181 2,183 6,185 11,188 4,189 15,191 3,192 1,193 8,195 15,198 1,199 15,204 11,206 10,209 2,210 19,213 2,215 9,217 8,220 3,221 15,223 2,225 5,227 12,230 1,231 9,234 3,236 2,239 21,243 10844,244 39.412,245 39.412,246 39.412,247 39.412,248 39.412,249 35.786,250 53.336,251 24.004,252 40.071,253 31.182,254 31.182,255 31.182,256 31.182,257 31.182,258 25.468,259 70.986,260 11.558,261 32.181,262 5.278,263 3.149,264 1.602,265 0.677,266 0.446,267 0.428,268 4.786,273 3253,274 5.431,276 1075.73,277 210.042,280 339.182,282 3.748,283 64.199,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 125.5,294 1500,295 4.558,296 3.906,297 6.875,298 4.227,299 3.257,300 4.146,301 2.062,302 11.438,303 3.159,304 4.124,305 3.607,306 6.318,307 3.801,308 2.824,309 3.676,310 2.03,311 9.38,312 2.751,313 4.086,314 3.573,315 5.954,316 3.72,317 2.755,318 3.672,319 1.907,320 8.388,321 2.663,322 4.074,323 3.533,324 5.684,325 3.688,326 2.715,327 3.662,328 1.653,329 8.011,330 2.643,331 3.899,332 3.204,333 5.581,334 3.564,335 2.586,336 3.17,337 0.916,338 7.652,339 2.524,340 3.733,341 3.06,342 5.427,343 3.422,344 2.462,345 3.019,346 0.892,347 7.093,348 2.399,349 3.662,350 2.866,351 5.327,352 3.393,353 2.449,354 2.837,355 0.86,356 6.945,357 2.338,358 3.61,359 2.823,360 5.105,361 3.371,362 2.379,363 2.813,364 0.85,365 6.139,366 2.288,367 3.564,368 2.749,369 5.038,370 3.263,371 2.274,372 2.787,373 0.488,374 6.079,375 2.227,376 3.554,377 2.714,378 4.992,379 3.164,380 2.184,381 2.712,382 0.219,383 5.95,384 2.12,385 3.238,386 2.33,387 4.878,388 2.969,389 2.014,390 2.404,391 0.172,392 5.573,393 1.913,394 3.197,395 2.162,396 4.851,397 2.83,398 1.857,399 2.346,400 0.149,401 5.34,402 1.803,403 3.074,404 2.119,405 4.579,406 2.682,407 1.703,408 2.231,409 0.141,410 4.724,411 1.653,412 2.925,413 1.861,414 4.167,415 2.593,416 1.618,417 2.095,418 0.03,419 3.372,420 1.571,421 2.723,422 1.833,423 3.937,424 2.466,425 1.478,426 1.789,428 3.345,429 1.458,430 27.3,431 0.471,432 1.218,433 0.021,434 71,435 1.224,436 33.5,437 0.578,438 37.5,439 0.647,440 61.635,441 1.063,442 63.9,443 0.576,444 70.242,445 1.211,446 14.176,447 0.244,448 14.036,449 0.242,450 0.085,452 0.286,454 0.768,455 1.403,456 0.835,457 1.17,458 0.565,459 1.03,460 0.835,461 1.125,462 0.949,463 1.053,464 0.567,465 1.017,466 1.064,467 1.052,468 1.016,469 1.002,470 0.984,471 0.999,472 1.112,473 1.057,474 0.969,475 0.981,476 1.091,477 0.955,478 1.068,479 0.992,480 1.005,481 0.976,482 1.069,483 0.979,484 1.095,485 1.157,486 0.974,487 1.083,488 1.161,489 1.019,490 1.326,491 1.01,492 1.037,493 0.967,494 1.182,495 0.957,496 1.252,497 0.974,498 1.013,499 0.952,500 1.193,501 0.947,502 10.5,503 0.409,504 4.667,505 3.688,506 2.99,507 1.636,508 1.312,509 0.892,510 0.69,511 0.516,512 94382,513 223901,514 2.082,515 47.7,516 5,517 33,518 1,520 4,521 2,522 6,523 2,524 1.878,525 1.977,526 4.539,527 1.207,530 168.306,531 1.516,532 3.645,533 5.192,534 6.118,535 6.348,536 6.366,537 3.988,538 5.789,539 5.826,540 4.821,541 7969.94,542 10.368,543 211054,546 754.18,547 1.278,548 5.802,549 0.167,550 0.005,551 0.056,552 0.041,553 0.034,554 0.018,555 0.015,556 0.011,557 0.009,558 0.007,559 0.362,561 0.5,562 0.44,563 378.867,564 -0.036,565 -0.159,566 0.049,567 -0.054,568 -0.027,569 0.002,570 0.088,571 0.023,573 -0.025,574 0.07,575 -0.028,576 0.003,577 0.001,578 -0.028,579 -0.008,580 -0.02,581 -0.022,582 -0.047,583 -0.044,584 0.029,586 -0.028,587 0.022,588 0.044,589 0.037,590 -0.006,591 0.008,592 0.047,593 -0.006,594 -0.029,595 -0.149,596 0.019,597 -0.086,598 -0.01,599 -0.033,600 -0.048,601 -0.019,602 -0.009,603 -0.004,604 0.02,606 0.003,607 0.012,608 0.01,609 0.023,610 0.023,611 0.019,612 2.55,613 6.565,614 0.603,615 125.648,616 1,617 1.129,618 3.063,619 9.384,620 0.651,621 4.159,622 4.443,623 4.663,624 4.905,625 5.13,626 5.209,627 5.342,628 5.468,629 5.561,630 5.652,631 14.727,632 0.618,633 788.05,634 4.159,635 5.687,636 6.512,637 7.367,638 8.209,639 9.073,640 9.926,641 10.797,642 11.658,643 12.535,644 6.3,647 1,649 5,651 1,654 16,658 8,660 24,661 1,667 2,669 111,670 29,671 4,672 63,673 116,674 45,675 24,676 8,677 16,678 1,679 6,680 7,683 1,684 1,685 3,687 6,688 29,689 16,691 5,692 4,694 1,695 5,699 53,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 2,737 58,740 13,741 4,742 2,744 1,745 2,749 5.4,752 4,754 2,755 29.333,756 20.017,757 12.917,758 6.842,759 4.249,760 1.45,761 0.97,762 15.872,763 13.702,764 4.394,765 4.898,766 5.364,767 5.871,768 6.377,769 6.546,770 6.884,771 7.214,772 7.499,773 7.789,774 0.941,775 90,776 21.659,777 9.175,778 7.75,779 41.38,780 33.594,781 2.25,782 130.5,785 576.784,786 253.651,787 95.077,789 122.579,792 253.651,793 699.363,794 95.077,795 17.222,796 110.088,797 151.62,798 117.45,799 70.652,800 16.047,801 565.013,803 576.784,804 348.728,805 122.579,807 482.615,808 216.748,810 138.823,811 209.906,814 576.784,815 217.657,816 253.651,817 576.784,818 84.81,819 175.09,820 72.043,821 139.365,822 576.784,823 217.657,824 253.651,825 0.569,826 0.321,827 0.173,828 0.096,829 34,830 16,831 0.147,832 17,833 1,834 1.057,835 6.603,836 613.03,837 0.057,838 35,839 333.763,841 42.551,842 21.634,843 12.979,845 217.657,846 30.022,850 6.05,852 72.043,853 1048.09,854 80,855 51.59,857 4.756,858 -0.907,859 110.999,860 125.294,861 0.223,862 0.536,863 0.764,864 0.9,865 0.934,866 0.937,867 5.624,868 2.379,869 6.466,870 6.945,871 5.13,872 5.587,873 3.476,874 7.216,875 5.069,876 6.786,877 2.274,878 7.982,879 6.139,880 4.575,881 5.231,882 2.802,883 7.98,884 4.496,885 8.058,886 2.184,887 9.598,888 6.079,889 6.661,890 7.629,891 4.387,892 11.096,893 6.536,894 9.362,895 2.014,896 11.276,897 5.95,898 6.929,899 8.069,900 4.417,901 12.746,902 6.782,903 10.697,904 1.857,905 12.996,906 5.573,907 8.454,908 9.955,909 5.565,910 15.384,911 8.27,912 12.054,913 1.703,914 14.748,915 5.34,916 9.133,917 10.79,918 5.901,919 17.443,920 8.923,921 13.43,922 1.618,923 16.524,924 4.724,925 10.417,926 12.445,927 6.849,928 19.926,929 10.175,930 3.257,931 1.478,932 18.32,933 3.372,934 11.316,935 13.504,936 7.342,937 22.182,938 11.044,939 2.824,940 11.438,941 20.134,942 3.345,943 12.499,944 15.039,945 8.185,946 24.617,947 12.198,948 2.755,949 9.38,950 21.962,951 4.146,952 13.516,953 16.23,954 8.766,955 26.965,956 13.184,957 2.715,958 8.388,959 23.802,960 3.676,961 14.663,962 17.699,963 9.551,964 29.39,965 14.302,966 2.586,967 8.011,968 25.654,969 3.672,970 15.745,971 18.972,972 10.182,973 31.781,974 15.351,975 2.462,976 7.652,977 27.514,978 3.662,979 16.885,980 20.406,981 10.935,982 34.206,983 16.462,984 2.449,985 7.093,986 29.384,987 3.17,988 18.002,989 21.729,990 11.597,991 36.618,992 17.548,993 88020,994 136179,995 42.531,996 72.279,997 92.723,998 95.945,999 94.213,1000 91.627,1001 91.636,1002 114.426,1003 24.739,1004 249.896,1005 88.958,1006 5.558,1007 5.906,1008 6.677,1009 5.303,1010 5.257,1011 7.146,1012 3.665,1013 19.055,1014 5.159,1015 27.892,1016 1.472,1017 1.523,1018 1.495,1019 1.454,1020 1.455,1021 1.816,1022 0.393,1023 3.967,1024 1.412,1025 4.061,1026 4.094,1027 4.014,1028 3.97,1029 7.437,1030 3.975,1031 3.956,1032 3.993,1033 3.887,1034 3.871,1035 7.428,1036 3.87,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.849,1044 3.876,1045 3.791,1046 3.767,1047 7.424,1048 3.767,1049 3.793,1050 3.849,1051 3.666,1052 3.654,1053 4.914,1054 3.646,1055 3.77,1056 3.823,1057 3.661,1058 3.59,1059 4.842,1060 3.597,1061 3.636,1062 3.692,1063 3.571,1064 3.431,1065 4.756,1066 3.454,1067 3.625,1068 3.677,1069 3.522,1070 3.417,1071 4.734,1072 3.43,1073 0.072,1074 0.062,1075 0.109,1076 0.067,1077 0.052,1078 4.558,1079 0.066,1080 3.906,1081 0.033,1082 6.875,1083 0.182,1084 4.227,1085 0.05,1086 3.257,1087 4.146,1088 2.062,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.047,1100 2.044,1101 1.236,1102 2.045,1103 1.914,1104 1.884,1105 2.036,1106 2.016,1107 1.181,1108 2.022,1109 1.835,1110 1.809,1111 1.986,1112 1.961,1113 1.17,1114 1.966,1115 1.789,1116 1.731,1117 1.952,1118 1.949,1119 1.132,1120 1.951,1121 1.72,1122 1.663,1123 1.937,1124 1.921,1125 1.125,1126 1.928,1127 1.595,1128 1.536,1129 1.853,1130 1.836,1131 1.039,1132 1.829,1133 1.575,1134 1.522,1135 1.716,1136 1.804,1137 0.826,1138 1.794,1139 4.844,1140 6.138,1142 7.609,1143 2.708,1144 9.164,1145 5.46,1146 10.767,1147 3.566,1152 9.682,1153 11.219,1154 11.771,1156 -1.217,1157 3.967,1159 68.555,1160 168.306,1161 404.596,1162 576.332,1163 679.061,1164 704.67,1165 706.67,1166 150.025,1167 9.452,1168 153.7,1169 153.7,1170 37,1171 13.077,1172 4.907,1173 4.17,1174 102.469,1175 515,1176 566,1177 0.091,1178 419.837,1179 754.16,1180 1016.16,1181 304973,1183 40.693,1184 0.702,1185 0.574,1186 40.693,1187 33.298,1188 28.212,1189 0.448,1190 0.318,1191 19.738,1192 27.144,1193 19.295,1194 16.017,1195 28.212,1196 20.014,1197 24.846,1198 0.296,1199 0.173,1200 24.846,1201 14.569,1202 19.966,1203 0.19,1204 0.095,1205 19.966,1206 9.932,1207 16.393,1208 0.122,1209 0.052,1210 16.393,1211 6.958,1212 13.213,1213 0.079,1214 0.028,1215 13.213,1216 4.744,1217 0.154,1218 176.763,1219 0.153,1220 50.195,1221 0.224,1222 294,1223 860.68,1224 324.264,1225 821.487,1226 1109.07,1227 770,1228 336,1229 795.807,1230 365.605,1231 802.415,1232 1167.15,1233 755,1234 5.027}
{0 CHEMBL282646,1 1.526,2 25.018,3 5.421,4 29.392,5 218.702,6 7.167,7 0.387,8 4.761,9 4.885,10 4.286,11 4.269,12 5.833,13 4.249,14 5.317,15 5.499,16 4.623,17 4.653,18 6.377,19 4.605,20 5.609,21 5.821,22 4.725,23 4.822,24 6.659,25 4.751,26 5.663,27 5.893,28 4.712,29 4.822,30 6.707,31 4.742,32 5.66,33 5.882,34 4.735,35 4.839,36 6.766,37 4.763,38 5.673,39 5.897,40 4.746,41 4.832,42 6.795,43 4.756,44 5.675,45 5.902,46 4.681,47 4.784,48 6.77,49 4.71,50 5.607,51 5.835,52 4.63,53 4.735,54 6.693,55 4.659,56 0.046,57 1.573,58 23.113,59 9.754,60 13.085,61 13.154,62 0.603,63 2.511,64 44.128,65 15.981,66 56.973,67 22.336,68 0.943,69 3.117,70 62.157,71 21.037,72 113.891,73 29.608,74 0.892,75 3.191,76 66.773,77 22.26,78 118.836,79 31.629,80 1.018,81 3.2,82 66.255,83 22.155,84 139.863,85 31.337,86 0.825,87 3.208,88 66.933,89 22.662,90 143.03,91 32.184,92 1.126,93 3.113,94 68.729,95 21.61,96 146.557,97 30.382,98 0.982,99 2.907,100 63.988,101 21.016,102 130.724,103 29.316,104 37,105 83,106 0.217,107 0.523,108 0.742,109 0.871,110 0.899,111 0.902,112 4.062,113 0.944,114 -4.13,115 -4.07,116 -3.85,117 40.7,118 1,119 5,121 1,122 7,125 1,132 16,133 4,134 4,140 1,141 3,142 1,150 19,152 1,153 13,156 5,157 1,158 5,161 20,165 3,166 12,169 3,171 2,174 12,177 1,178 14,181 3,182 1,183 6,185 11,188 4,189 14,191 2,193 8,195 14,198 2,199 14,202 1,204 12,206 10,209 2,210 18,213 2,215 8,217 8,220 2,221 16,223 2,225 5,227 10,230 1,231 11,234 2,236 4,239 17,243 10260,244 38.705,245 38.705,246 38.705,247 38.705,248 38.705,249 35.079,250 51.504,251 23.504,252 39.364,253 30.682,254 30.682,255 30.682,256 30.682,257 30.682,258 24.968,259 67.94,260 11.311,261 31.678,262 5.228,263 3.084,264 1.543,265 0.64,266 0.44,267 0.421,268 4.769,273 3095,274 5.339,276 1046.26,277 204.027,280 329.793,282 3.631,283 63.799,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 123.5,294 1426,295 4.558,296 3.906,297 6.875,298 4.227,299 3.257,300 4.146,301 2.062,302 11.438,303 3.159,304 4.124,305 3.614,306 6.318,307 3.801,308 2.824,309 3.676,310 2.03,311 9.38,312 2.751,313 4.086,314 3.567,315 5.954,316 3.72,317 2.755,318 3.672,319 1.907,320 8.388,321 2.663,322 4.074,323 3.533,324 5.684,325 3.688,326 2.715,327 3.662,328 1.653,329 8.011,330 2.643,331 3.899,332 3.204,333 5.581,334 3.564,335 2.587,336 3.17,337 0.916,338 7.652,339 2.524,340 3.737,341 3.06,342 5.427,343 3.439,344 2.465,345 3.019,346 0.892,347 7.093,348 2.413,349 3.669,350 2.866,351 5.327,352 3.392,353 2.457,354 2.856,355 0.86,356 6.945,357 2.313,358 3.596,359 2.823,360 5.11,361 3.354,362 2.375,363 2.809,364 0.85,365 6.192,366 2.287,367 3.564,368 2.749,369 5.05,370 3.252,371 2.256,372 2.766,373 0.488,374 6.058,375 2.223,376 3.55,377 2.714,378 4.974,379 3.162,380 2.18,381 2.712,382 0.219,383 5.907,384 2.118,385 3.238,386 2.33,387 4.876,388 2.969,389 2.014,390 2.404,391 0.172,392 5.573,393 1.913,394 3.197,395 2.162,396 4.851,397 2.829,398 1.856,399 2.346,400 0.149,401 5.338,402 1.803,403 3.074,404 2.119,405 4.579,406 2.68,407 1.701,408 2.231,409 0.141,410 4.723,411 1.652,412 2.925,413 1.86,414 4.167,415 2.574,416 1.599,417 2.094,418 0.03,419 3.357,420 1.552,421 2.721,422 1.832,423 3.937,424 2.464,425 1.474,426 1.789,428 3.326,429 1.457,430 26.8,431 0.47,432 1.218,433 0.021,434 70.5,435 1.237,436 33.5,437 0.588,438 37,439 0.649,440 59.52,441 1.044,442 62.6,443 0.58,444 70.019,445 1.228,446 14.176,447 0.249,448 13.536,449 0.237,450 0.087,452 0.291,454 0.769,455 1.401,456 0.825,457 1.163,458 0.566,459 1.02,460 0.839,461 1.117,462 0.941,463 1.041,464 0.57,465 1.006,466 1.075,467 1.055,468 1.023,469 1.003,470 0.993,471 1.002,472 1.079,473 1.04,474 0.968,475 0.984,476 1.08,477 0.962,478 1.07,479 1.02,480 0.997,481 0.984,482 1.038,483 0.978,484 1.002,485 1.152,486 0.941,487 1.078,488 1.025,489 1.009,490 1.363,491 0.998,492 1.075,493 0.965,494 1.307,495 0.97,496 1.263,497 0.983,498 1.005,499 0.96,500 1.176,501 0.947,502 10.5,503 0.393,504 4.667,505 3.688,506 2.91,507 1.747,508 1.271,509 0.861,510 0.74,511 0.496,512 88387,513 211612,514 2.083,515 47.2,516 5,517 33,518 1,520 4,521 2,522 4,523 2,524 1.875,525 1.977,526 4.493,527 1.219,530 164.858,531 1.526,532 3.671,533 5.212,534 6.115,535 6.315,536 6.334,537 3.965,538 5.609,539 5.801,540 4.773,541 7618.45,542 10.322,543 196502,546 729.528,547 1.288,548 5.776,549 0.169,550 0.005,551 0.056,552 0.041,553 0.033,554 0.02,555 0.014,556 0.011,557 0.009,558 0.007,559 0.366,560 0.17,561 0.5,562 0.444,563 369.494,564 -0.039,565 -0.162,566 0.049,567 -0.055,568 -0.03,569 0.002,570 0.084,571 0.031,572 0.002,573 -0.018,574 0.067,575 -0.023,576 -0.004,577 0.001,578 -0.038,579 -0.011,580 -0.027,581 -0.028,582 -0.017,583 -0.027,584 0.028,585 -0.001,586 -0.015,587 0.015,588 0.018,589 0.007,590 -0.002,591 0.001,592 0.041,593 -0.003,594 0.051,595 -0.144,596 0.05,597 -0.084,598 0.093,599 -0.025,600 -0.075,601 -0.001,602 -0.047,603 -0.004,604 -0.068,605 -0.016,606 -0.037,607 -0.001,608 0.013,609 0.019,610 0.003,611 0.023,612 2.556,613 6.561,614 0.614,615 120.421,616 1.001,617 1.129,618 2.9,619 8.409,620 0.653,621 4.143,622 4.431,623 4.654,624 4.898,625 5.124,626 5.209,627 5.333,628 5.464,629 5.561,630 5.649,631 14.237,632 0.621,633 774.02,634 4.143,635 5.673,636 6.5,637 7.357,638 8.201,639 9.066,640 9.92,641 10.792,642 11.654,643 12.532,644 6.5,647 1,649 5,651 1,654 16,658 8,660 24,661 1,667 2,669 108,670 29,671 4,672 62,673 113,674 44,675 24,676 8,677 16,678 1,679 6,680 7,683 1,684 1,685 3,687 5,688 29,689 15,691 5,692 4,694 1,695 5,699 51,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 2,737 57,740 12,741 4,742 2,744 1,745 2,749 5.6,752 4,754 2,755 28.833,756 19.517,757 12.667,758 6.592,759 4.262,760 1.452,761 0.971,762 15.26,763 13.695,764 4.382,765 4.89,766 5.359,767 5.869,768 6.375,769 6.55,770 6.879,771 7.213,772 7.501,773 7.79,774 1,775 89,776 21.283,777 9.037,778 7.763,779 40.564,780 32.927,781 2.263,782 129,785 553.242,786 251.117,787 95.077,789 122.579,792 251.117,793 675.821,794 95.077,795 17.222,796 107.553,797 151.62,798 117.45,799 70.652,800 16.047,801 541.471,803 553.242,804 346.194,805 122.579,807 482.615,808 193.206,810 136.288,811 209.906,814 553.242,815 217.657,816 251.117,817 553.242,818 82.275,819 175.09,820 72.043,821 139.365,822 553.242,823 217.657,824 251.117,825 0.571,826 0.322,827 0.173,828 0.096,829 34,830 16,831 0.142,832 16,833 1,834 1.057,835 6.496,836 603.614,837 0.057,838 35,839 326.475,841 41.578,842 20.92,843 12.468,845 217.657,846 29.913,850 5.98,852 72.043,853 1022.02,854 79,855 51.587,857 4.75,858 -1.066,859 108.116,860 121.879,861 0.226,862 0.543,863 0.772,864 0.905,865 0.935,866 0.938,867 5.613,868 2.375,869 6.457,870 6.945,871 5.118,872 5.58,873 3.476,874 7.21,875 5.056,876 6.778,877 2.256,878 7.976,879 6.192,880 4.575,881 5.231,882 2.802,883 7.98,884 4.496,885 8.052,886 2.18,887 9.593,888 6.058,889 6.653,890 7.626,891 4.387,892 11.094,893 6.527,894 9.357,895 2.014,896 11.273,897 5.907,898 6.929,899 8.069,900 4.417,901 12.746,902 6.782,903 10.694,904 1.856,905 12.994,906 5.573,907 8.45,908 9.954,909 5.565,910 15.384,911 8.264,912 12.052,913 1.701,914 14.746,915 5.338,916 9.133,917 10.79,918 5.901,919 17.443,920 8.922,921 13.428,922 1.599,923 16.523,924 4.723,925 10.415,926 12.445,927 6.849,928 19.926,929 10.172,930 3.257,931 1.474,932 18.32,933 3.357,934 11.316,935 13.504,936 7.342,937 22.182,938 11.044,939 2.824,940 11.438,941 20.133,942 3.326,943 12.498,944 15.039,945 8.185,946 24.617,947 12.196,948 2.755,949 9.38,950 21.961,951 4.146,952 13.516,953 16.23,954 8.766,955 26.965,956 13.183,957 2.715,958 8.388,959 23.802,960 3.676,961 14.663,962 17.699,963 9.551,964 29.39,965 14.301,966 2.587,967 8.011,968 25.653,969 3.672,970 15.745,971 18.972,972 10.182,973 31.781,974 15.351,975 2.465,976 7.652,977 27.514,978 3.662,979 16.885,980 20.406,981 10.935,982 34.206,983 16.462,984 2.457,985 7.093,986 29.384,987 3.17,988 18.002,989 21.729,990 11.597,991 36.618,992 17.547,993 82391,994 128071,995 41.838,996 70.518,997 91.501,998 94.665,999 92.968,1000 90.314,1001 90.327,1002 113.123,1003 24.739,1004 247.246,1005 87.651,1006 5.558,1007 5.906,1008 6.677,1009 5.305,1010 5.257,1011 7.146,1012 3.665,1013 19.055,1014 5.159,1015 27.488,1016 1.476,1017 1.527,1018 1.499,1019 1.457,1020 1.457,1021 1.825,1022 0.399,1023 3.988,1024 1.414,1025 4.06,1026 4.093,1027 4.014,1028 3.97,1029 7.437,1030 3.975,1031 3.956,1032 3.993,1033 3.887,1034 3.871,1035 7.429,1036 3.87,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.426,1042 3.844,1043 3.849,1044 3.875,1045 3.791,1046 3.767,1047 7.424,1048 3.767,1049 3.793,1050 3.849,1051 3.664,1052 3.654,1053 4.914,1054 3.646,1055 3.756,1056 3.81,1057 3.657,1058 3.556,1059 4.842,1060 3.571,1061 3.634,1062 3.68,1063 3.571,1064 3.42,1065 4.756,1066 3.453,1067 3.605,1068 3.664,1069 3.496,1070 3.401,1071 4.734,1072 3.409,1073 0.074,1074 0.063,1075 0.111,1076 0.068,1077 0.053,1078 4.558,1079 0.067,1080 3.906,1081 0.033,1082 6.875,1083 0.184,1084 4.227,1085 0.051,1086 3.257,1087 4.146,1088 2.062,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.047,1100 2.044,1101 1.201,1102 2.045,1103 1.914,1104 1.884,1105 2.036,1106 2.016,1107 1.171,1108 2.022,1109 1.835,1110 1.809,1111 1.985,1112 1.959,1113 1.132,1114 1.964,1115 1.789,1116 1.731,1117 1.95,1118 1.948,1119 1.131,1120 1.95,1121 1.69,1122 1.632,1123 1.905,1124 1.91,1125 1.083,1126 1.91,1127 1.581,1128 1.533,1129 1.813,1130 1.831,1131 1.038,1132 1.81,1133 1.56,1134 1.5,1135 1.715,1136 1.786,1137 0.825,1138 1.786,1139 4.828,1140 6.125,1142 7.599,1143 2.708,1144 9.157,1145 5.46,1146 10.761,1147 3.56,1152 8.711,1153 11.088,1154 11.743,1156 -1.222,1157 3.956,1159 67.028,1160 164.858,1161 396.438,1162 562.899,1163 660.408,1164 682.018,1165 684.018,1166 145.451,1167 9.433,1168 153.7,1169 153.7,1170 37,1171 13.073,1172 4.907,1173 4.17,1174 99.611,1175 488,1176 542,1177 0.093,1178 410.245,1179 736.86,1180 992.757,1181 292272,1183 39.986,1184 0.702,1185 0.572,1186 39.986,1187 32.591,1188 27.712,1189 0.447,1190 0.315,1191 19.238,1192 26.644,1193 18.805,1194 15.601,1195 27.712,1196 19.514,1197 24.492,1198 0.295,1199 0.171,1200 24.492,1201 14.215,1202 19.716,1203 0.19,1204 0.093,1205 19.716,1206 9.704,1207 16.222,1208 0.122,1209 0.051,1210 16.222,1211 6.797,1212 13.04,1213 0.078,1214 0.028,1215 13.04,1216 4.629,1217 0.157,1218 173.763,1219 0.155,1220 49.385,1221 0.231,1222 290,1223 856.68,1224 320.264,1225 817.326,1226 1103.31,1227 766,1228 332,1229 791.807,1230 361.605,1231 798.255,1232 1161.43,1233 751,1234 4.824}
{0 CHEMBL284183,1 1.484,2 21.4,3 5.613,4 31.509,5 194.768,6 7.159,7 0.436,8 4.623,9 4.748,10 4.155,11 4.164,12 5.683,13 4.137,14 5.175,15 5.355,16 4.494,17 4.557,18 6.216,19 4.501,20 5.479,21 5.695,22 4.601,23 4.73,24 6.488,25 4.65,26 5.537,27 5.77,28 4.603,29 4.722,30 6.569,31 4.639,32 5.529,33 5.75,34 4.619,35 4.739,36 6.639,37 4.659,38 5.542,39 5.768,40 4.596,41 4.736,42 6.613,43 4.645,44 5.548,45 5.788,46 4.474,47 4.668,48 6.591,49 4.569,50 5.443,51 5.686,52 4.401,53 4.556,54 6.554,55 4.459,56 0.047,57 1.367,58 19.943,59 8.552,60 12.001,61 11.537,62 0.486,63 2.232,64 37.68,65 14.178,66 45.398,67 19.751,68 0.628,69 2.823,70 53.859,71 19.167,72 81.51,73 26.837,74 0.649,75 2.899,76 58.301,77 20.077,78 94.093,79 28.439,80 0.843,81 2.901,82 57.547,83 19.671,84 122.564,85 27.617,86 0.614,87 2.909,88 57.99,89 20.766,90 100.506,91 29.177,92 0.698,93 2.82,94 60.171,95 19.972,96 113.173,97 27.95,98 0.788,99 2.511,100 54.4,101 18.339,102 132.517,103 25.74,104 17,105 74,106 0.217,107 0.52,108 0.715,109 0.846,110 0.884,111 0.888,112 3.934,113 0.944,114 -5.27,115 -5.16,116 -4.83,117 42.6,119 5,121 1,122 5,125 1,132 17,133 4,134 3,140 1,141 2,142 1,150 21,152 1,153 11,156 4,157 1,158 4,161 22,165 2,166 11,169 2,171 3,174 13,177 1,178 15,181 2,183 8,185 12,188 3,189 11,191 2,193 7,195 16,198 1,199 13,202 1,203 1,204 11,206 14,210 17,215 7,217 8,220 1,221 16,223 2,224 1,225 6,227 9,231 8,234 1,236 1,239 18,243 6694,244 34.275,245 34.275,246 34.275,247 34.275,248 34.275,249 30.828,250 44.05,251 20.87,252 34.779,253 27.25,254 27.25,255 27.25,256 27.25,257 27.25,258 21.936,259 62.418,260 10.051,261 28.021,262 5.07,263 2.992,264 1.661,265 0.765,266 0.505,267 0.476,268 4.646,272 1,273 2350,274 4.583,276 888.358,277 171.625,280 288.075,282 3.352,283 48.524,285 0.75,286 0.33,287 0.67,288 0.7,289 0.5,290 0.67,291 0.5,292 0.59,293 107,294 1070,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.062,302 11.429,303 3.155,304 4.119,305 3.615,306 6.31,307 3.78,308 2.798,309 3.696,310 1.987,311 9.331,312 2.744,313 4.086,314 3.532,315 5.941,316 3.731,317 2.755,318 3.676,319 1.653,320 8.334,321 2.706,322 4.049,323 3.188,324 5.684,325 3.72,326 2.744,327 3.53,328 0.916,329 8.011,330 2.663,331 3.89,332 3.06,333 5.679,334 3.552,335 2.58,336 3.173,337 0.86,338 7.965,339 2.503,340 3.705,341 2.823,342 5.327,343 3.397,344 2.462,345 2.934,346 0.85,347 6.945,348 2.368,349 3.565,350 2.801,351 5.31,352 3.387,353 2.4,354 2.748,355 0.488,356 6.826,357 2.288,358 3.526,359 2.741,360 5.137,361 3.149,362 2.155,363 2.713,364 0.324,365 5.989,366 2.128,367 3.394,368 2.331,369 4.854,370 2.976,371 2.019,372 2.664,373 0.219,374 5.574,375 1.929,376 3.239,377 2.26,378 4.846,379 2.956,380 1.987,381 2.35,382 0.172,383 5.477,384 1.909,385 3.159,386 2.189,387 4.608,388 2.765,389 1.775,390 2.342,391 0.03,392 4.833,393 1.749,394 2.957,395 1.899,396 4.201,397 2.549,398 1.564,399 2.116,401 3.53,402 1.536,403 2.776,404 1.828,405 4.003,406 2.522,407 1.535,408 1.896,410 3.264,411 1.507,412 2.719,413 1.686,414 3.691,415 2.388,416 1.41,417 1.788,419 3.089,420 1.374,421 2.665,422 1.512,423 3.602,424 2.317,425 1.317,426 1.736,428 3.03,429 1.316,430 23.733,431 0.475,432 1.006,433 0.02,434 63.75,435 1.275,436 31.5,437 0.63,438 32.25,439 0.645,440 48.779,441 0.976,442 53.667,443 0.571,444 59.473,445 1.189,446 12.725,447 0.254,448 11.699,449 0.234,450 0.063,452 0.287,454 0.756,455 1.34,456 0.823,457 1.105,458 0.56,459 0.987,460 0.796,461 1.1,462 0.957,463 1.031,464 0.564,465 1.012,466 1.075,467 1.067,468 1.005,469 1.007,470 0.957,471 0.997,472 1.099,473 1.066,474 0.938,475 0.976,476 1.057,477 0.94,478 1.154,479 1.02,480 1.024,481 0.974,482 1.151,483 0.976,484 1.002,485 1.154,486 0.985,487 1.108,488 1.119,489 1.054,490 1.444,491 1.023,492 1.103,493 0.991,494 1.368,495 0.998,496 1.221,497 0.973,498 0.997,499 0.967,500 1.208,501 0.956,502 8.5,503 0.233,504 3.778,505 3.5,506 2.559,507 1.552,508 1.126,509 0.739,510 0.478,511 0.366,512 60882,513 139118,514 2.12,515 46.8,516 2,517 30,518 1,520 3,521 2,522 4,523 2,524 1.845,525 2.027,526 4.274,527 0.62,530 139.529,531 1.484,532 3.562,533 4.893,534 5.79,535 6.049,536 6.078,537 3.708,538 5.404,539 5.615,540 4.559,541 5584.24,542 9.946,543 127279,546 616.131,547 1.218,548 5.594,549 0.155,550 0.004,551 0.051,552 0.044,553 0.032,554 0.019,555 0.015,556 0.011,557 0.008,558 0.007,559 0.345,560 0.17,561 0.5,562 0.404,563 310.94,564 -0.028,565 -0.141,566 0.053,567 -0.036,568 -0.025,569 0.011,570 0.116,571 0.038,572 -0.019,573 -0.026,574 0.065,575 -0.041,576 -0.021,577 -0.02,578 -0.024,579 -0.021,580 -0.02,581 -0.025,583 -0.056,584 0.062,585 -0.001,586 0.031,587 0.032,588 0.027,589 0.014,590 -0.022,591 -0.002,592 0.052,593 -0.016,594 0.054,595 -0.148,596 0.003,597 -0.118,598 0.034,599 -0.072,600 -0.168,601 -0.041,602 -0.077,603 -0.03,604 -0.086,605 -0.037,606 0.039,607 -0.006,608 0.03,609 -0.001,610 0.125,611 0.011,612 2.482,613 6.451,614 0.7,615 85.35,616 0.997,617 1.125,618 4.042,619 16.337,620 0.663,621 4.025,622 4.317,623 4.564,624 4.828,625 5.056,626 5.13,627 5.252,628 5.361,629 5.403,630 5.472,631 12.432,632 0.628,633 672.9,634 4.025,635 5.557,636 6.392,637 7.255,638 8.106,639 8.978,640 9.838,641 10.714,642 11.58,643 12.461,644 6.4,647 1,649 4,651 1,654 17,658 7,660 24,661 1,667 1,669 94,670 28,671 4,672 55,673 99,674 40,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 5,688 28,689 12,691 4,692 3,694 1,695 4,699 44,700 10,701 3,702 10,705 6,706 0.833,707 4,713 5,714 1,717 1,719 1,720 1,727 1,731 5,734 1,737 50,740 10,741 3,742 1,744 1,745 2,749 4.3,752 3,754 1,755 24.667,756 16.767,757 11.083,758 5.793,759 4.359,760 1.475,761 0.987,762 12.195,763 13.536,764 4.277,765 4.796,766 5.293,767 5.828,768 6.335,769 6.491,770 6.827,771 7.142,772 7.35,773 7.623,774 0.929,775 80,776 18.648,777 7.959,778 7.693,779 35.837,780 29.468,781 2.193,782 109.667,785 482.615,786 235.122,787 77.066,789 86.435,792 235.122,793 569.05,794 77.066,795 8.396,796 82.844,797 161.096,798 87.601,799 54.409,800 16.047,801 470.844,803 482.615,804 312.188,805 86.435,807 411.989,808 157.061,810 102.754,811 209.434,814 482.615,815 163.501,816 235.122,817 482.615,818 65.629,819 175.741,820 54.032,821 103.22,822 482.615,823 163.501,824 235.122,825 0.57,826 0.326,827 0.183,828 0.102,829 32,830 14,831 0.121,832 12,833 1,834 1.057,835 5.947,836 517.313,837 0.057,838 35,839 274.193,841 35.186,842 17.33,843 9.75,845 163.501,846 32.467,850 5.683,852 54.032,853 881.238,854 71,855 39.307,857 4.731,858 -0.459,859 93.708,860 105.716,861 0.226,862 0.543,863 0.747,864 0.883,865 0.923,866 0.927,867 5.505,868 2.155,869 6.347,870 6.826,871 5.004,872 5.485,873 3.202,874 7.114,875 4.95,876 6.671,877 2.019,878 7.871,879 5.989,880 4.443,881 5.085,882 2.53,883 7.904,884 4.362,885 7.946,886 1.987,887 9.497,888 5.574,889 6.547,890 7.542,891 4.08,892 11.037,893 6.434,894 9.252,895 1.775,896 11.185,897 5.477,898 6.825,899 7.949,900 4.132,901 12.71,902 6.683,903 10.591,904 1.564,905 12.917,906 4.833,907 8.361,908 9.879,909 5.25,910 15.355,911 8.192,912 11.953,913 1.535,914 14.68,915 3.53,916 9.056,917 10.693,918 5.612,919 17.426,920 8.855,921 13.334,922 1.41,923 16.467,924 3.264,925 10.347,926 12.376,927 6.536,928 19.91,929 10.121,930 3.254,931 1.317,932 18.273,933 3.089,934 11.259,935 13.421,936 7.053,937 22.169,938 11.001,939 2.798,940 11.429,941 20.094,942 3.03,943 12.447,944 14.972,945 7.877,946 24.605,947 12.164,948 2.755,949 9.331,950 21.929,951 4.133,952 13.474,953 16.155,954 8.478,955 26.953,956 13.158,957 2.744,958 8.334,959 23.776,960 3.696,961 14.625,962 17.633,963 9.249,964 29.377,965 14.281,966 2.58,967 8.011,968 25.632,969 3.676,970 15.712,971 18.9,972 9.898,973 31.768,974 15.335,975 2.462,976 7.965,977 27.496,978 3.53,979 16.855,980 20.339,981 10.641,982 34.192,983 16.449,984 2.4,985 6.945,986 29.368,987 3.173,988 17.975,989 21.658,990 11.316,991 36.604,992 17.536,993 56134,994 85325,995 37.561,996 62.319,997 81.485,998 83.612,999 82.438,1000 80.378,1001 80.324,1002 101.872,1003 19.122,1004 221.119,1005 78.277,1006 5.553,1007 5.906,1008 6.675,1009 5.295,1010 5.254,1011 7.133,1012 3.581,1013 19.038,1014 5.155,1015 20.093,1016 1.482,1017 1.52,1018 1.499,1019 1.461,1020 1.46,1021 1.852,1022 0.348,1023 4.02,1024 1.423,1025 4.055,1026 4.089,1027 4.008,1028 3.968,1029 7.435,1030 3.972,1031 3.96,1032 3.995,1033 3.895,1034 3.878,1035 7.427,1036 3.877,1037 3.93,1038 3.964,1039 3.867,1040 3.853,1041 7.424,1042 3.852,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 4.888,1048 3.758,1049 3.792,1050 3.847,1051 3.662,1052 3.654,1053 4.838,1054 3.646,1055 3.677,1056 3.737,1057 3.591,1058 3.482,1059 4.737,1060 3.489,1061 3.626,1062 3.673,1063 3.536,1064 3.418,1065 4.681,1066 3.45,1067 3.439,1068 3.486,1069 3.34,1070 3.238,1071 4.401,1072 3.252,1073 0.083,1074 0.071,1075 0.125,1076 0.077,1077 0.059,1078 4.553,1079 0.075,1080 3.906,1081 0.037,1082 6.873,1083 0.208,1084 4.224,1085 0.057,1086 3.254,1087 4.133,1088 2.062,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.926,1098 1.898,1099 2.057,1100 2.041,1101 1.208,1102 2.047,1103 1.922,1104 1.893,1105 2.036,1106 2.029,1107 1.169,1108 2.031,1109 1.837,1110 1.806,1111 1.984,1112 1.949,1113 1.163,1114 1.96,1115 1.789,1116 1.73,1117 1.961,1118 1.943,1119 1.124,1120 1.948,1121 1.634,1122 1.571,1123 1.874,1124 1.853,1125 1.036,1126 1.858,1127 1.575,1128 1.527,1129 1.716,1130 1.811,1131 0.825,1132 1.792,1133 1.373,1134 1.329,1135 1.585,1136 1.619,1137 0.825,1138 1.607,1139 4.71,1140 6.009,1142 7.494,1143 2.708,1144 9.063,1145 5.46,1146 10.678,1147 1.675,1152 8.959,1153 8.484,1154 5.96,1156 -1.149,1157 4.008,1159 58.997,1160 139.529,1161 334.854,1162 459.973,1163 544.215,1164 568.622,1165 571.376,1166 109.268,1167 9.177,1168 115.37,1169 115.37,1170 37,1171 13,1172 4.858,1173 4.087,1174 81.16,1175 378,1176 402,1177 0.099,1178 360.016,1179 641.72,1180 870.199,1181 204145,1183 34.71,1184 0.694,1185 0.569,1186 34.71,1187 28.438,1188 24.424,1189 0.444,1190 0.315,1191 17.094,1192 23.626,1193 16.732,1194 13.875,1195 24.424,1196 17.302,1197 21.481,1198 0.29,1199 0.171,1200 21.481,1201 12.672,1202 17.663,1203 0.186,1204 0.093,1205 17.663,1206 8.873,1207 14.921,1208 0.12,1209 0.051,1210 14.921,1211 6.34,1212 12.094,1213 0.078,1214 0.028,1215 12.094,1216 4.388,1217 0.166,1218 152.097,1219 0.163,1220 44.334,1221 0.248,1222 258,1223 710.876,1224 280.786,1225 688.15,1226 939.34,1227 646,1228 298,1229 683.026,1230 320.625,1231 692.607,1232 1010.86,1233 653,1234 5.387}
{0 CHEMBL284975,1 1.526,2 26.246,3 5.77,4 33.294,5 218.539,6 7.167,7 0.387,8 4.761,9 4.885,10 4.286,11 4.269,12 5.831,13 4.249,14 5.318,15 5.498,16 4.617,17 4.656,18 6.393,19 4.603,20 5.613,21 5.833,22 4.707,23 4.823,24 6.616,25 4.746,26 5.663,27 5.892,28 4.706,29 4.814,30 6.719,31 4.736,32 5.659,33 5.881,34 4.715,35 4.828,36 6.758,37 4.752,38 5.667,39 5.894,40 4.723,41 4.824,42 6.791,43 4.739,44 5.674,45 5.916,46 4.605,47 4.76,48 6.719,49 4.671,50 5.58,51 5.817,52 4.531,53 4.659,54 6.686,55 4.574,56 0.046,57 1.573,58 23.113,59 9.754,60 13.14,61 13.154,62 0.753,63 2.513,64 44.226,65 16.065,66 66.813,67 22.494,68 0.768,69 3.128,70 62.383,71 21.42,72 98.562,73 30.3,74 0.939,75 3.184,76 66.954,77 21.946,78 127.289,79 31.132,80 1.036,81 3.182,82 66.449,83 21.87,84 142.547,85 30.853,86 0.975,87 3.189,88 66.569,89 22.728,90 148.684,91 32.548,92 0.862,93 3.087,94 68.954,95 21.901,96 132.766,97 31.17,98 1.131,99 2.771,100 63.36,101 19.799,102 149.662,103 27.874,104 26,105 82,106 0.217,107 0.518,108 0.725,109 0.859,110 0.891,111 0.895,112 4.062,113 0.949,114 -4.54,115 -4.46,116 -4.2,117 40.7,119 6,121 1,122 7,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 21,152 2,153 12,156 6,157 1,158 5,161 22,165 2,166 11,169 2,171 2,174 13,177 1,178 18,181 3,182 1,183 7,185 12,188 3,189 12,191 2,193 7,195 15,198 3,199 15,202 3,204 13,206 13,210 17,215 8,217 8,220 1,221 18,223 3,224 1,225 7,227 10,231 8,234 1,236 2,239 17,243 10176,244 38.965,245 38.965,246 38.965,247 38.965,248 38.965,249 35.364,250 49.263,251 23.868,252 39.662,253 30.699,254 30.699,255 30.699,256 30.699,257 30.699,258 25.057,259 64.479,260 11.483,261 31.726,262 5.228,263 3.12,264 1.661,265 0.721,266 0.495,267 0.47,268 4.77,273 3261,274 5.385,276 1088.66,277 211.619,280 353.019,282 4.154,283 61.526,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 123.5,294 1496,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.186,302 11.429,303 3.155,304 4.102,305 3.642,306 6.31,307 3.774,308 2.793,309 3.684,310 2.062,311 9.331,312 2.732,313 4.086,314 3.57,315 5.941,316 3.72,317 2.755,318 3.676,319 1.907,320 8.331,321 2.672,322 4.047,323 3.533,324 5.684,325 3.705,326 2.724,327 3.53,328 1.653,329 8.011,330 2.663,331 3.885,332 3.188,333 5.643,334 3.537,335 2.566,336 3.171,337 0.916,338 7.854,339 2.492,340 3.698,341 3.06,342 5.327,343 3.416,344 2.463,345 2.873,346 0.86,347 6.945,348 2.392,349 3.626,350 2.829,351 5.233,352 3.39,353 2.432,354 2.842,355 0.85,356 6.51,357 2.288,358 3.596,359 2.823,360 5.091,361 3.298,362 2.323,363 2.78,364 0.488,365 6.194,366 2.249,367 3.564,368 2.788,369 5.062,370 3.235,371 2.254,372 2.712,373 0.366,374 5.969,375 2.161,376 3.408,377 2.33,378 4.983,379 2.998,380 2.032,381 2.698,382 0.219,383 5.843,384 1.958,385 3.238,386 2.293,387 4.851,388 2.969,389 2.014,390 2.436,391 0.172,392 5.573,393 1.913,394 3.233,395 2.242,396 4.684,397 2.827,398 1.832,399 2.346,400 0.149,401 4.998,402 1.812,403 2.958,404 1.9,405 4.204,406 2.575,407 1.601,408 2.118,409 0.03,410 3.533,411 1.552,412 2.776,413 1.832,414 4.003,415 2.544,416 1.556,417 1.896,419 3.334,420 1.534,421 2.721,422 1.769,423 3.72,424 2.394,425 1.418,426 1.789,428 3.092,429 1.379,430 26.8,431 0.47,432 1.112,433 0.02,434 70,435 1.228,436 33,437 0.579,438 37,439 0.649,440 58.391,441 1.024,442 62.6,443 0.58,444 68.063,445 1.194,446 14.098,447 0.247,448 13.72,449 0.241,450 0.068,452 0.272,454 0.769,455 1.401,456 0.825,457 1.163,458 0.56,459 1.02,460 0.755,461 1.1,462 0.964,463 1.045,464 0.536,465 1.033,466 1.036,467 1.066,468 0.989,469 1.006,470 0.915,471 0.991,472 1.157,473 1.039,474 1.005,475 0.982,476 1.181,477 0.971,478 1.171,479 1.012,480 1.039,481 0.974,482 1.121,483 0.981,484 0.845,485 1.139,486 0.938,487 1.091,488 0.895,489 1.037,490 1.319,491 1.026,492 1.049,493 0.977,494 1.251,495 0.968,496 1.358,497 0.921,498 1.061,499 0.911,500 1.44,501 0.935,502 9.5,503 0.249,504 4.444,505 3.625,506 2.559,507 1.747,508 1.208,509 0.793,510 0.548,511 0.426,512 95173,513 227736,514 2.094,515 47.2,516 2,517 34,518 1,520 4,521 2,522 6,523 2,524 1.872,525 2,526 4.55,527 1.219,530 164.858,531 1.526,532 3.635,533 5.094,534 6.033,535 6.259,536 6.285,537 3.982,538 5.657,539 5.805,540 4.861,541 7758.94,542 10.307,543 209297,546 729.528,547 1.22,548 5.782,549 0.153,550 0.004,551 0.054,552 0.041,553 0.03,554 0.02,555 0.014,556 0.01,557 0.008,558 0.007,559 0.341,561 0.5,562 0.41,563 373.357,564 -0.039,565 -0.162,566 0.049,567 -0.055,568 -0.024,569 0.002,570 0.168,571 0.05,572 -0.022,573 -0.021,574 0.1,575 -0.05,576 -0.044,577 -0.022,578 -0.011,579 -0.01,580 -0.035,581 -0.007,582 -0.043,583 -0.023,584 -0.002,585 -0.007,586 -0.041,587 -0.001,588 -0.035,589 0.014,590 -0.038,591 0.005,592 0.002,593 -0.013,594 0.153,595 -0.13,596 0.048,597 -0.096,598 0.153,599 -0.048,600 -0.146,601 -0.051,602 -0.027,603 -0.015,604 -0.073,605 -0.001,606 -0.055,607 0.049,608 -0.023,609 0.044,610 -0.048,611 0.02,612 2.499,613 6.459,614 0.614,615 116.89,616 1.001,617 1.129,618 3.306,619 10.928,620 0.653,621 4.143,622 4.419,623 4.644,624 4.883,625 5.1,626 5.176,627 5.288,628 5.389,629 5.442,630 5.509,631 15.276,632 0.621,633 774.02,634 4.143,635 5.666,636 6.491,637 7.343,638 8.184,639 9.045,640 9.897,641 10.765,642 11.623,643 12.497,644 6.5,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 108,670 29,671 4,672 62,673 113,674 44,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 6,688 29,689 15,691 5,692 4,694 1,695 5,699 51,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,728 1,731 5,734 1,737 57,740 13,741 4,742 2,744 1,745 2,749 5.6,752 4,754 2,755 28.5,756 19.1,757 12.75,758 6.647,759 4.27,760 1.458,761 0.971,762 15.659,763 13.591,764 4.382,765 4.875,766 5.342,767 5.846,768 6.341,769 6.494,770 6.821,771 7.121,772 7.363,773 7.635,774 0.941,775 88,776 21.268,777 9.003,778 7.76,779 40.606,780 32.951,781 2.26,782 128.833,785 553.242,786 251.117,787 95.077,789 122.579,792 251.117,793 675.821,794 95.077,795 8.396,796 110.088,797 161.096,798 112.746,799 65.409,800 22.809,801 541.471,803 553.242,804 346.194,805 122.579,807 459.073,808 216.748,810 129.998,811 216.196,814 553.242,815 217.657,816 251.117,817 553.242,818 81.624,819 175.741,820 72.043,821 139.365,822 553.242,823 217.657,824 251.117,825 0.567,826 0.32,827 0.174,828 0.096,829 33,830 15,831 0.15,832 17,833 1,834 1.057,835 6.624,836 589.52,837 0.057,838 35,839 322.475,841 41.578,842 21.467,843 12.724,845 217.657,846 32.337,850 5.694,852 72.043,853 1022.02,854 79,855 51.135,857 4.721,858 -1.174,859 108.116,860 121.879,861 0.226,862 0.538,863 0.754,864 0.893,865 0.927,866 0.93,867 5.606,868 2.323,869 6.438,870 6.51,871 5.106,872 5.565,873 3.471,874 7.183,875 5.043,876 6.76,877 2.254,878 7.95,879 6.194,880 4.511,881 5.156,882 2.863,883 7.943,884 4.426,885 8.028,886 2.032,887 9.563,888 5.969,889 6.629,890 7.593,891 4.466,892 11.065,893 6.503,894 9.327,895 2.014,896 11.241,897 5.843,898 6.878,899 7.998,900 4.549,901 12.724,902 6.727,903 10.659,904 1.832,905 12.962,906 5.573,907 8.42,908 9.909,909 5.726,910 15.361,911 8.235,912 12.013,913 1.601,914 14.716,915 4.998,916 9.091,917 10.72,918 6.105,919 17.427,920 8.879,921 13.388,922 1.556,923 16.495,924 3.533,925 10.384,926 12.392,927 7.092,928 19.909,929 10.142,930 3.254,931 1.418,932 18.295,933 3.334,934 11.28,935 13.433,936 7.626,937 22.167,938 11.009,939 2.793,940 11.429,941 20.111,942 3.092,943 12.467,944 14.978,945 8.514,946 24.602,947 12.168,948 2.755,949 9.331,950 21.941,951 4.133,952 13.483,953 16.158,954 9.136,955 26.951,956 13.154,957 2.724,958 8.331,959 23.784,960 3.684,961 14.633,962 17.633,963 9.97,964 29.375,965 14.275,966 2.566,967 8.011,968 25.637,969 3.676,970 15.714,971 18.899,972 10.646,973 31.766,974 15.325,975 2.463,976 7.854,977 27.5,978 3.53,979 16.856,980 20.336,981 11.45,982 34.191,983 16.438,984 2.432,985 6.945,986 29.37,987 3.171,988 17.973,989 21.654,990 12.158,991 36.603,992 17.523,993 88273,994 137121,995 42.126,996 70.518,997 91.009,998 93.976,999 92.244,1000 89.833,1001 89.764,1002 112.367,1003 23.718,1004 242.984,1005 87.08,1006 5.553,1007 5.906,1008 6.675,1009 5.304,1010 5.254,1011 7.133,1012 3.889,1013 19.038,1014 5.155,1015 25.048,1016 1.468,1017 1.516,1018 1.488,1019 1.449,1020 1.448,1021 1.812,1022 0.383,1023 3.919,1024 1.405,1025 4.057,1026 4.092,1027 4.009,1028 3.969,1029 7.439,1030 3.973,1031 3.959,1032 3.995,1033 3.891,1034 3.876,1035 7.432,1036 3.875,1037 3.93,1038 3.963,1039 3.866,1040 3.854,1041 7.427,1042 3.852,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.849,1051 3.664,1052 3.654,1053 4.889,1054 3.646,1055 3.755,1056 3.809,1057 3.657,1058 3.549,1059 4.838,1060 3.564,1061 3.64,1062 3.686,1063 3.576,1064 3.421,1065 4.748,1066 3.455,1067 3.596,1068 3.651,1069 3.493,1070 3.385,1071 4.681,1072 3.391,1073 0.073,1074 0.063,1075 0.111,1076 0.068,1077 0.052,1078 4.553,1079 0.067,1080 3.906,1081 0.035,1082 6.873,1083 0.184,1084 4.224,1085 0.051,1086 3.254,1087 4.133,1088 2.186,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.896,1099 2.057,1100 2.04,1101 1.222,1102 2.047,1103 1.924,1104 1.894,1105 2.043,1106 2.027,1107 1.201,1108 2.032,1109 1.837,1110 1.806,1111 1.985,1112 1.953,1113 1.169,1114 1.963,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.131,1120 1.948,1121 1.685,1122 1.627,1123 1.904,1124 1.91,1125 1.076,1126 1.908,1127 1.579,1128 1.531,1129 1.804,1130 1.827,1131 1.036,1132 1.804,1133 1.55,1134 1.489,1135 1.72,1136 1.787,1137 0.872,1138 1.787,1139 4.828,1140 6.116,1142 7.584,1143 2.708,1144 9.136,1145 5.46,1146 10.735,1147 1.663,1152 9.458,1153 10.97,1154 11.21,1156 -1.165,1157 3.984,1159 67.028,1160 164.858,1161 392.593,1162 550.125,1163 651.612,1164 676.018,1165 678.773,1166 141.789,1167 9.321,1168 153.7,1169 153.7,1170 37,1171 13.041,1172 4.907,1173 4.17,1174 99.925,1175 534,1176 543,1177 0.086,1178 410.245,1179 736.86,1180 992.757,1181 271206,1183 39.823,1184 0.699,1185 0.568,1186 39.823,1187 32.376,1188 27.818,1189 0.449,1190 0.316,1191 19.327,1192 26.747,1193 18.961,1194 15.7,1195 27.818,1196 19.603,1197 24.212,1198 0.295,1199 0.171,1200 24.212,1201 14.058,1202 19.631,1203 0.191,1204 0.095,1205 19.631,1206 9.754,1207 16.141,1208 0.123,1209 0.052,1210 16.141,1211 6.817,1212 12.892,1213 0.079,1214 0.029,1215 12.892,1216 4.664,1217 0.146,1218 174.399,1219 0.154,1220 49.85,1221 0.207,1222 288,1223 852.68,1224 318.595,1225 812.703,1226 1096.66,1227 762,1228 329,1229 785.807,1230 357.775,1231 790.698,1232 1151.9,1233 745,1234 5.377}
{0 CHEMBL284976,1 1.548,2 24.6,3 5.414,4 29.312,5 209.236,6 7.313,7 0.4,8 4.71,9 4.832,10 4.253,11 4.219,12 5.799,13 4.204,14 5.261,15 5.436,16 4.59,17 4.604,18 6.363,19 4.559,20 5.549,21 5.76,22 4.687,23 4.773,24 6.591,25 4.704,26 5.613,27 5.84,28 4.677,29 4.758,30 6.68,31 4.691,32 5.59,33 5.805,34 4.72,35 4.777,36 6.782,37 4.709,38 5.613,39 5.836,40 4.675,41 4.775,42 6.697,43 4.699,44 5.614,45 5.844,46 4.589,47 4.71,48 6.734,49 4.629,50 5.513,51 5.747,52 4.488,53 4.604,54 6.601,55 4.527,56 0.065,57 1.496,58 21.253,59 9.08,60 13.991,61 12.067,62 0.767,63 2.386,64 40.926,65 14.891,66 65.271,67 20.582,68 0.807,69 2.967,70 57.52,71 20.125,72 100.456,73 28.015,74 0.937,75 3.025,76 63.528,77 20.56,78 121.707,79 28.83,80 1.253,81 3.012,82 61.045,83 20.41,84 168.075,85 28.757,86 0.743,87 3.041,88 62.464,89 21.323,90 115.071,91 29.935,92 1.185,93 2.929,94 64.63,95 20.352,96 151.616,97 28.398,98 0.804,99 2.618,100 58.492,101 18.8,102 122.619,103 26.158,104 26,105 80,106 0.223,107 0.527,108 0.727,109 0.855,110 0.89,111 0.894,112 4.027,113 0.93,114 -4.2,115 -4.15,116 -3.92,117 41.2,119 4,121 1,122 7,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 20,152 2,153 11,156 6,157 1,158 3,161 20,165 2,166 12,169 3,170 1,171 2,174 12,177 1,178 15,181 2,183 6,185 10,188 5,189 13,191 5,193 9,195 15,198 1,199 11,204 10,206 12,209 1,210 20,213 3,214 1,215 9,217 7,221 15,225 7,227 6,230 4,231 6,234 3,235 1,236 4,239 15,243 9070,244 37.551,245 37.551,246 37.551,247 37.551,248 37.551,249 33.95,250 47.643,251 22.895,252 38.221,253 29.699,254 29.699,255 29.699,256 29.699,257 29.699,258 24.057,259 65.012,260 11.025,261 30.702,262 5.125,263 3.007,264 1.617,265 0.725,266 0.485,267 0.458,268 4.736,273 2955,274 5.196,276 1029.58,277 199.577,280 333.612,282 3.905,283 60.859,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 119.5,294 1353,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.206,302 11.429,303 3.155,304 4.104,305 3.677,306 6.31,307 3.774,308 2.794,309 3.685,310 2.062,311 9.331,312 2.731,313 4.086,314 3.545,315 5.941,316 3.72,317 2.755,318 3.676,319 1.952,320 8.331,321 2.665,322 4.048,323 3.533,324 5.684,325 3.705,326 2.728,327 3.53,328 1.653,329 8.011,330 2.663,331 3.886,332 3.188,333 5.646,334 3.539,335 2.571,336 3.171,337 0.916,338 7.862,339 2.491,340 3.74,341 3.06,342 5.327,343 3.442,344 2.471,345 2.928,346 0.86,347 6.945,348 2.398,349 3.618,350 2.846,351 5.247,352 3.391,353 2.458,354 2.84,355 0.85,356 6.591,357 2.288,358 3.565,359 2.823,360 5.144,361 3.282,362 2.3,363 2.719,364 0.815,365 6.299,366 2.241,367 3.531,368 2.791,369 5.065,370 3.154,371 2.176,372 2.711,373 0.488,374 5.885,375 2.091,376 3.404,377 2.331,378 4.882,379 2.985,380 2.021,381 2.681,382 0.305,383 5.65,384 1.943,385 3.238,386 2.312,387 4.851,388 2.967,389 2.01,390 2.419,391 0.219,392 5.572,393 1.912,394 3.216,395 2.245,396 4.673,397 2.804,398 1.811,399 2.346,400 0.172,401 4.973,402 1.788,403 2.958,404 1.899,405 4.203,406 2.559,407 1.583,408 2.118,409 0.061,410 3.531,411 1.537,412 2.776,413 1.831,414 4.003,415 2.542,416 1.554,417 1.896,418 0.03,419 3.302,420 1.532,421 2.72,422 1.686,423 3.705,424 2.391,425 1.414,426 1.788,428 3.09,429 1.377,430 25.8,431 0.469,432 1.112,433 0.02,434 69,435 1.255,436 33,437 0.6,438 36,439 0.655,440 54.259,441 0.987,442 60,443 0.588,444 67.613,445 1.229,446 14.049,447 0.255,448 12.769,449 0.232,450 0.071,452 0.283,454 0.772,455 1.397,456 0.805,457 1.148,458 0.563,459 1,460 0.762,461 1.081,462 0.949,463 1.02,464 0.541,465 1.01,466 0.975,467 1.073,468 0.985,469 1.036,470 0.897,471 1.016,472 1.216,473 1.037,474 0.995,475 0.952,476 1.162,477 0.937,478 0.899,479 1.01,480 0.965,481 0.984,482 0.873,483 0.981,484 1.047,485 1.164,486 0.982,487 1.092,488 1.102,489 1.034,490 1.306,491 0.975,492 1.103,493 0.969,494 1.325,495 0.995,496 1.343,497 1.021,498 1.024,499 0.969,500 1.338,501 0.948,502 9.5,503 0.295,504 4.444,505 3.375,506 2.879,507 1.636,508 1.19,509 0.798,510 0.602,511 0.365,512 83407,513 203026,514 2.097,515 46.1,516 2,517 34,518 1,520 4,522 4,523 2,524 1.865,525 2,526 4.465,527 1.245,530 157.883,531 1.548,532 3.666,533 5.056,534 5.948,535 6.187,536 6.214,537 3.899,538 5.527,539 5.753,540 4.766,541 7077.51,542 10.21,543 181075,546 680.587,547 1.241,548 5.729,549 0.158,550 0.005,551 0.056,552 0.039,553 0.034,554 0.019,555 0.014,556 0.011,557 0.009,558 0.006,559 0.351,560 0.17,561 0.5,562 0.42,563 354.754,564 -0.045,565 -0.168,566 0.049,567 -0.057,568 -0.031,569 0.002,570 0.161,571 0.067,572 -0.019,573 -0.007,574 0.095,575 -0.04,576 -0.004,577 -0.024,578 -0.017,579 -0.038,580 -0.017,581 -0.034,582 -0.088,583 -0.031,584 0.012,585 0.018,586 -0.051,587 0.03,588 0.17,589 0.025,590 0.024,591 -0.003,592 0.184,593 -0.012,594 -0.035,595 -0.16,596 0.004,597 -0.098,598 -0.022,599 -0.048,600 -0.072,601 0.011,602 -0.076,603 -0.011,604 -0.063,605 -0.039,606 -0.147,607 -0.062,608 0.001,610 -0.063,611 0.023,612 2.523,613 6.447,614 0.636,615 106.916,616 1.003,617 1.128,618 2.974,619 8.846,620 0.657,621 4.111,622 4.394,623 4.625,624 4.868,625 5.1,626 5.159,627 5.283,628 5.384,629 5.447,630 5.493,631 14.296,632 0.627,633 745.96,634 4.111,635 5.638,636 6.466,637 7.322,638 8.167,639 9.031,640 9.886,641 10.756,642 11.618,643 12.492,644 6.9,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 102,670 29,671 4,672 60,673 107,674 42,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 4,688 29,689 13,691 5,692 4,694 1,695 5,699 47,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,728 1,731 5,734 1,737 55,740 11,741 4,742 2,744 1,745 2,749 5.9,752 4,754 2,755 27.5,756 18.1,757 12.25,758 6.147,759 4.296,760 1.463,761 0.975,762 14.437,763 13.578,764 4.357,765 4.86,766 5.333,767 5.84,768 6.351,769 6.489,770 6.828,771 7.128,772 7.385,773 7.621,774 0.938,775 86,776 20.517,777 8.728,778 7.788,779 38.973,780 31.618,781 2.288,782 125.833,785 506.157,786 246.048,787 95.077,789 122.579,792 246.048,793 628.737,794 95.077,795 8.396,796 105.019,797 161.096,798 112.746,799 65.409,800 22.809,801 494.386,803 506.157,804 341.125,805 122.579,807 435.531,808 193.206,810 124.929,811 216.196,814 506.157,815 217.657,816 246.048,817 506.157,818 76.555,819 175.741,820 72.043,821 139.365,822 506.157,823 217.657,824 246.048,825 0.569,826 0.323,827 0.175,828 0.1,829 33,830 15,831 0.14,832 15,833 1,834 1.057,835 6.406,836 571.092,837 0.057,838 35,839 309.975,841 39.636,842 20.033,843 11.719,845 217.657,846 31.815,850 5.315,852 72.043,853 969.862,854 77,855 51.183,857 4.704,858 -1.564,859 102.348,860 115.049,861 0.232,862 0.549,863 0.758,864 0.891,865 0.927,866 0.931,867 5.583,868 2.3,869 6.418,870 6.591,871 5.081,872 5.549,873 3.523,874 7.171,875 5.017,876 6.744,877 2.176,878 7.936,879 6.299,880 4.511,881 5.156,882 2.863,883 7.943,884 4.426,885 8.015,886 2.021,887 9.553,888 5.885,889 6.613,890 7.587,891 4.52,892 11.062,893 6.483,894 9.317,895 2.01,896 11.234,897 5.65,898 6.878,899 7.998,900 4.567,901 12.724,902 6.723,903 10.652,904 1.811,905 12.958,906 5.572,907 8.412,908 9.907,909 5.792,910 15.362,911 8.22,912 12.009,913 1.583,914 14.714,915 4.973,916 9.091,917 10.72,918 6.146,919 17.427,920 8.873,921 13.384,922 1.554,923 16.494,924 3.531,925 10.38,926 12.391,927 7.172,928 19.91,929 10.131,930 3.254,931 1.414,932 18.294,933 3.302,934 11.281,935 13.433,936 7.687,937 22.168,938 11.003,939 2.794,940 11.429,941 20.11,942 3.09,943 12.466,944 14.979,945 8.607,946 24.603,947 12.16,948 2.755,949 9.331,950 21.941,951 4.133,952 13.485,953 16.159,954 9.217,955 26.951,956 13.148,957 2.728,958 8.331,959 23.784,960 3.685,961 14.634,962 17.634,963 10.076,964 29.376,965 14.269,966 2.571,967 8.011,968 25.637,969 3.676,970 15.716,971 18.899,972 10.744,973 31.767,974 15.32,975 2.471,976 7.862,977 27.5,978 3.53,979 16.858,980 20.336,981 11.569,982 34.191,983 16.433,984 2.458,985 6.945,986 29.371,987 3.171,988 17.975,989 21.654,990 12.274,991 36.603,992 17.52,993 77259,994 121115,995 40.739,996 66.995,997 88.65,998 91.518,999 89.63,1000 87.448,1001 87.439,1002 110.049,1003 25.178,1004 238.48,1005 84.745,1006 5.553,1007 5.906,1008 6.675,1009 5.312,1010 5.254,1011 7.133,1012 3.954,1013 19.038,1014 5.155,1015 24.278,1016 1.478,1017 1.525,1018 1.494,1019 1.457,1020 1.457,1021 1.834,1022 0.42,1023 3.975,1024 1.412,1025 4.055,1026 4.089,1027 4.008,1028 3.968,1029 7.44,1030 3.971,1031 3.957,1032 3.994,1033 3.89,1034 3.872,1035 7.432,1036 3.871,1037 3.925,1038 3.956,1039 3.864,1040 3.847,1041 7.426,1042 3.846,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.792,1050 3.848,1051 3.663,1052 3.654,1053 4.889,1054 3.646,1055 3.731,1056 3.787,1057 3.644,1058 3.511,1059 4.838,1060 3.528,1061 3.635,1062 3.68,1063 3.572,1064 3.418,1065 4.764,1066 3.453,1067 3.554,1068 3.605,1069 3.445,1070 3.317,1071 4.681,1072 3.34,1073 0.076,1074 0.065,1075 0.115,1076 0.07,1077 0.054,1078 4.553,1079 0.069,1080 3.906,1081 0.037,1082 6.873,1083 0.19,1084 4.224,1085 0.053,1086 3.254,1087 4.133,1088 2.206,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.04,1101 1.196,1102 2.046,1103 1.912,1104 1.885,1105 2.022,1106 2.02,1107 1.169,1108 2.019,1109 1.837,1110 1.806,1111 1.985,1112 1.951,1113 1.148,1114 1.962,1115 1.789,1116 1.731,1117 1.961,1118 1.944,1119 1.128,1120 1.948,1121 1.656,1122 1.595,1123 1.886,1124 1.892,1125 1.036,1126 1.886,1127 1.576,1128 1.529,1129 1.716,1130 1.821,1131 0.836,1132 1.795,1133 1.475,1134 1.424,1135 1.685,1136 1.743,1137 0.825,1138 1.731,1139 4.796,1140 6.089,1142 7.564,1143 2.708,1144 9.121,1145 5.46,1146 10.724,1147 1.65,1152 8.141,1153 10.645,1154 11.174,1156 -1.19,1157 3.959,1159 63.975,1160 157.883,1161 373.892,1162 515.675,1163 606.671,1164 631.078,1165 633.832,1166 132.72,1167 9.281,1168 153.7,1169 153.7,1170 37,1171 13.035,1172 4.907,1173 4.17,1174 94.35,1175 480,1176 499,1177 0.09,1178 391.06,1179 702.26,1180 945.947,1181 249004,1183 38.409,1184 0.698,1185 0.563,1186 38.409,1187 30.962,1188 26.818,1189 0.447,1190 0.31,1191 18.327,1192 25.758,1193 17.971,1194 14.897,1195 26.818,1196 18.603,1197 23.505,1198 0.294,1199 0.168,1200 23.505,1201 13.425,1202 19.148,1203 0.19,1204 0.092,1205 19.148,1206 9.272,1207 15.66,1208 0.121,1209 0.05,1210 15.66,1211 6.487,1212 12.919,1213 0.079,1214 0.027,1215 12.919,1216 4.468,1217 0.153,1218 168.399,1219 0.157,1220 48.226,1221 0.221,1222 280,1223 844.68,1224 310.595,1225 804.913,1226 1085.38,1227 754,1228 321,1229 777.807,1230 350.357,1231 783.985,1232 1143.06,1233 737,1234 5.215}
{0 CHEMBL285586,1 1.745,2 23.321,3 3.261,4 10.635,5 204.745,6 8.14,7 0.404,8 4.627,9 4.75,10 4.295,11 4.163,12 5.798,13 4.135,14 5.133,15 5.298,16 4.641,17 4.527,18 6.323,19 4.47,20 5.375,21 5.564,22 4.706,23 4.652,24 6.555,25 4.594,26 5.445,27 5.644,28 4.766,29 4.698,30 6.609,31 4.618,32 5.487,33 5.692,34 4.726,35 4.699,36 6.695,37 4.634,38 5.499,39 5.713,40 4.688,41 4.689,42 6.679,43 4.615,44 5.485,45 5.692,46 4.667,47 4.637,48 6.686,49 4.573,50 5.436,51 5.649,52 4.596,53 4.621,54 6.601,55 4.543,56 0.169,57 1.464,58 18.177,59 8.099,60 23.597,61 9.857,62 0.712,63 2.265,64 39.447,65 14.17,66 63.199,67 17.541,68 1.047,69 2.66,70 48.903,71 16.173,72 120.404,73 20.59,74 0.945,75 2.783,76 59.11,77 19.678,78 123.086,79 24.118,80 1.154,81 2.851,82 58.088,83 18.515,84 141.974,85 23.646,86 0.937,87 2.809,88 58.29,89 19.928,90 134.711,91 25.62,92 1.29,93 2.722,94 60.119,95 17.966,96 154.305,97 22.881,98 1.06,99 2.566,100 57.903,101 19.506,102 135.394,103 24.406,104 67,105 77,106 0.255,107 0.608,108 0.796,109 0.885,110 0.907,111 0.907,112 3.991,113 0.977,114 -3.39,115 -3.37,116 -3.22,117 38.7,118 1,119 1,121 1,122 5,125 1,132 12,133 3,134 3,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 13,152 2,153 9,155 2,156 7,157 2,158 4,160 2,161 15,164 1,165 3,166 8,169 3,171 3,174 10,177 1,178 11,180 2,181 4,182 1,183 8,185 7,187 2,188 3,189 15,191 2,193 8,195 8,198 1,199 13,202 2,204 9,206 5,209 2,210 15,213 2,215 10,217 5,219 2,220 3,221 13,223 2,225 4,227 7,230 1,231 10,234 1,236 4,239 14,243 8602,244 35.429,245 35.429,246 35.429,247 35.429,248 35.429,249 31.621,250 45.849,251 21.355,252 36.457,253 28.182,254 28.182,255 28.182,256 28.182,257 28.182,258 22.235,259 59.144,260 10.262,261 29.773,262 4.794,263 2.38,264 1.097,265 0.489,266 0.339,267 0.339,268 4.688,273 2641,274 5.568,275 187.855,276 539.277,277 186.635,280 302.454,282 3.472,283 66.55,285 0.25,286 0.33,287 0.33,288 0.7,289 0.5,290 0.17,292 0.33,293 116,294 1236,295 4.558,296 4.25,297 6.875,298 4.227,299 3.257,300 4.146,301 3.272,302 11.438,303 3.159,304 4.164,305 3.906,306 6.318,307 3.801,308 2.824,309 3.791,310 2.062,311 9.38,312 2.751,313 4.124,314 3.614,315 5.954,316 3.688,317 2.763,318 3.672,319 2.03,320 8.388,321 2.643,322 4.074,323 3.566,324 5.675,325 3.645,326 2.715,327 3.662,328 1.907,329 7.971,330 2.524,331 3.899,332 3.533,333 5.581,334 3.564,335 2.587,336 3.17,337 1.653,338 7.652,339 2.44,340 3.737,341 3.204,342 5.427,343 3.438,344 2.46,345 3.019,346 1.2,347 7.093,348 2.412,349 3.669,350 3.022,351 5.11,352 3.354,353 2.376,354 2.913,355 0.892,356 6.192,357 2.311,358 3.634,359 2.866,360 5.051,361 3.252,362 2.259,363 2.856,364 0.85,365 6.085,366 2.223,367 3.596,368 2.752,369 5.029,370 3.162,371 2.239,372 2.809,373 0.488,374 6.057,375 2.118,376 3.551,377 2.749,378 4.974,379 3.15,380 2.18,381 2.766,382 0.219,383 5.906,384 2.028,385 3.197,386 2.714,387 4.876,388 2.829,389 1.856,390 2.404,391 0.149,392 5.338,393 1.803,394 3.074,395 2.279,396 4.579,397 2.681,398 1.788,399 2.231,400 0.141,401 4.723,402 1.652,403 3.044,404 2.162,405 4.338,406 2.638,407 1.701,408 2.153,409 0.129,410 4.342,411 1.506,412 2.925,413 2.119,414 4.167,415 2.466,416 1.53,417 2.094,418 0.03,419 3.355,420 1.457,421 2.673,422 1.86,423 3.937,424 2.432,425 1.473,426 1.748,428 3.276,429 1.367,430 25.333,431 0.478,432 1.294,433 0.024,434 67.75,435 1.278,436 33,437 0.623,438 34.75,439 0.656,440 54.484,441 1.028,442 57.467,443 0.618,444 65.196,445 1.23,446 13.329,447 0.251,448 12.22,449 0.231,450 0.124,452 0.312,454 0.84,455 1.286,456 0.76,457 0.95,458 0.675,459 0.9,460 0.674,461 1.088,462 1.006,463 1.116,464 0.538,465 0.986,466 1.138,467 1.017,468 0.964,469 0.925,470 1.117,471 0.976,472 1.065,473 1.08,474 0.937,475 1.03,476 1.114,477 1.005,478 1.145,479 1.027,480 0.992,481 0.981,482 1.064,483 0.994,484 1.042,485 1.096,486 0.91,487 1.028,488 0.982,489 1.019,490 1.392,491 1.004,492 1.045,493 0.985,494 1.431,495 0.997,496 1.133,497 0.961,498 0.981,499 0.999,500 1.117,501 0.97,502 11,503 0.392,504 4.667,505 3.819,506 2.822,507 1.883,508 1.188,509 0.85,510 0.748,511 0.516,512 67823,513 206787,514 2.036,515 43,516 3,517 25,518 2,520 8,521 2,524 1.86,525 1.904,526 4.384,527 4.291,530 162.318,531 1.745,532 4.159,533 5.442,534 6.05,535 6.2,536 6.2,537 3.909,538 5.45,539 5.69,540 4.669,541 6433.75,542 10.115,543 153939,546 608.142,547 1.409,548 5.657,549 0.193,550 0.006,551 0.061,552 0.047,553 0.034,554 0.023,555 0.015,556 0.011,557 0.01,558 0.007,559 0.407,560 0.17,561 0.38,562 0.736,563 335.377,564 -0.114,565 -0.077,566 0.041,567 0.047,568 -0.096,569 0.043,570 0.182,571 0.05,572 -0.004,573 -0.05,574 0.105,575 -0.016,576 -0.063,577 0.039,578 -0.07,579 0.01,580 -0.106,581 -0.038,582 -0.026,583 -0.075,584 0.04,585 -0.024,586 -0.038,587 -0.021,588 -0.056,589 -0.013,590 -0.067,591 -0.041,593 -0.041,594 -0.017,595 -0.13,596 -0.005,597 -0.085,598 0.048,599 -0.036,600 -0.122,601 -0.029,602 -0.09,603 -0.045,604 -0.138,605 -0.05,606 -0.011,607 -0.02,608 -0.023,609 -0.02,610 0.006,611 0.024,612 2.562,613 6.523,614 0.528,615 110.085,616 1.011,617 1.13,618 2.157,619 4.653,620 0.678,621 4.06,622 4.357,623 4.564,624 4.812,625 5.004,626 5.124,627 5.242,628 5.347,629 5.455,630 5.553,631 13.168,632 0.646,633 757,634 4.06,635 5.595,636 6.418,637 7.28,638 8.124,639 8.993,640 9.849,641 10.725,642 11.589,643 12.47,644 10.8,645 2,649 5,651 2,652 1,654 13,655 1,657 1,658 8,660 23,661 1,667 1,669 93,670 29,671 3,672 57,673 97,674 36,675 21,676 6,677 12,678 2,679 5,680 6,682 1,683 1,684 1,687 1,688 27,689 9,691 6,692 4,694 2,695 6,699 40,700 15,701 8,702 17,703 2,705 10,706 0.8,707 5,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 2,737 53,738 2,740 6,741 4,742 1,743 1,744 1,745 1,747 1,749 5.4,752 4,754 1,755 27.833,756 16.8,757 11.75,758 5.075,759 4.097,760 1.452,761 0.975,762 14.655,763 13.155,764 4.324,765 4.858,766 5.328,767 5.856,768 6.304,769 6.53,770 6.853,771 7.142,772 7.443,773 7.744,774 1,775 81,776 19.691,777 8.345,778 7.912,779 36.708,780 29.232,781 2.412,782 127.833,785 376.675,786 261.837,787 191.318,789 111.58,791 63.497,792 198.34,793 488.255,794 191.318,795 17.222,796 154.099,797 121.364,798 134.236,799 68.142,800 29.717,801 416.63,803 376.675,804 389.658,805 111.58,806 63.497,807 376.675,808 111.58,810 199.753,811 173.12,812 16.786,813 63.497,814 376.675,815 302.898,816 261.837,817 376.675,818 123.252,819 141.71,820 72.043,821 227.731,822 376.675,823 302.898,824 261.837,825 0.574,826 0.317,827 0.171,828 0.093,829 31,830 16,831 0.155,832 15,833 1,834 1.071,835 6.091,836 545.465,837 0.071,838 28,839 297.58,840 2,841 39.721,842 19.554,843 12.017,845 302.898,846 23.468,847 4.321,849 1.352,850 5.208,852 137.837,853 941.41,854 74.5,855 51.288,857 8.65,858 -1.163,859 94.061,860 105.098,861 0.267,862 0.636,863 0.832,864 0.925,865 0.948,866 0.948,867 5.556,868 2.259,869 6.389,870 6.192,871 5.043,872 5.547,873 3.975,874 7.151,875 4.946,876 6.742,877 2.239,878 7.916,879 6.085,880 4.575,881 5.263,882 2.831,883 7.949,884 4.474,885 8.029,886 2.18,887 9.542,888 6.057,889 6.589,890 7.627,891 5.738,892 11.053,893 6.412,894 9.346,895 1.856,896 11.227,897 5.906,898 6.919,899 8.123,900 4.432,901 12.721,902 6.734,903 10.691,904 1.788,905 12.953,906 5.338,907 8.398,908 9.974,909 7.908,910 15.359,911 8.154,912 12.058,913 1.701,914 14.709,915 4.723,916 9.118,917 10.856,918 5.908,919 17.429,920 8.858,921 13.441,922 1.53,923 16.49,924 4.342,925 10.378,926 12.479,927 10.213,928 19.914,929 10.074,930 3.257,931 1.473,932 18.291,933 3.355,934 11.301,935 13.574,936 7.345,937 22.174,938 10.975,939 2.824,940 11.438,941 20.108,942 3.276,943 12.473,944 15.083,945 12.561,946 24.611,947 12.112,948 2.763,949 9.38,950 21.939,951 4.146,952 13.504,953 16.301,954 8.767,955 26.961,956 13.118,957 2.715,958 8.388,959 23.783,960 3.791,961 14.647,962 17.752,963 14.924,964 29.387,965 14.231,966 2.587,967 7.971,968 25.637,969 3.672,970 15.736,971 19.042,972 10.183,973 31.779,974 15.294,975 2.46,976 7.652,977 27.501,978 3.662,979 16.876,980 20.463,981 17.292,982 34.205,983 16.406,984 2.376,985 7.093,986 29.372,987 3.17,988 17.997,989 21.797,990 11.597,991 36.617,992 17.5,993 64601,994 113055,995 37.679,996 63.046,997 85.027,998 90.651,999 86.411,1000 83.394,1001 83.53,1002 107.038,1003 30.045,1004 230.709,1005 79.357,1006 5.529,1007 6.25,1008 6.648,1009 5.37,1010 5.257,1011 7.146,1012 6.545,1013 19.055,1014 5.159,1015 30.936,1016 1.492,1017 1.59,1018 1.516,1019 1.463,1020 1.465,1021 1.878,1022 0.527,1023 4.048,1024 1.392,1025 4.052,1026 4.082,1027 4.235,1028 3.966,1029 7.437,1030 3.97,1031 3.925,1032 3.958,1033 4.006,1034 3.861,1035 7.429,1036 3.852,1037 3.865,1038 3.895,1039 3.862,1040 3.841,1041 7.426,1042 3.772,1043 3.847,1044 3.872,1045 3.832,1046 3.767,1047 7.424,1048 3.766,1049 3.746,1050 3.798,1051 3.79,1052 3.556,1053 5.336,1054 3.559,1055 3.633,1056 3.679,1057 3.625,1058 3.425,1059 4.907,1060 3.453,1061 3.574,1062 3.629,1063 3.571,1064 3.416,1065 4.805,1066 3.38,1067 3.458,1068 3.541,1069 3.438,1070 3.237,1071 4.756,1072 3.246,1073 0.08,1074 0.075,1075 0.121,1076 0.074,1077 0.057,1078 4.558,1079 0.073,1080 4.25,1081 0.057,1082 6.875,1083 0.201,1084 4.227,1085 0.055,1086 3.257,1087 4.146,1088 3.272,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.047,1094 2.044,1095 1.171,1096 2.045,1097 1.914,1098 1.884,1099 2.036,1100 2.016,1101 1.142,1102 2.022,1103 1.835,1104 1.809,1105 1.95,1106 1.955,1107 1.132,1108 1.951,1109 1.682,1110 1.631,1111 1.876,1112 1.911,1113 1.07,1114 1.905,1115 1.584,1116 1.544,1117 1.738,1118 1.827,1119 1.037,1120 1.799,1121 1.571,1122 1.527,1123 1.715,1124 1.772,1125 0.851,1126 1.769,1127 1.457,1128 1.407,1129 1.612,1130 1.745,1131 0.825,1132 1.722,1133 1.436,1134 1.389,1135 1.573,1136 1.625,1137 0.722,1138 1.637,1139 4.745,1140 6.047,1141 2.398,1142 7.516,1143 4.727,1144 9.066,1145 6.843,1146 10.665,1147 3.544,1150 10.742,1152 1.802,1153 10.991,1154 5.783,1155 1.613,1156 -1.228,1157 1.463,1159 60.064,1160 162.318,1161 386.796,1162 506.103,1163 562.632,1164 576.632,1165 576.632,1166 145.735,1167 9.058,1168 218.52,1169 272.06,1170 30,1171 13.009,1172 4.907,1173 4.209,1174 100.03,1175 412,1176 504,1177 0.112,1178 379.548,1179 672.05,1180 917.857,1181 170320,1183 37.744,1184 0.712,1185 0.58,1186 38.451,1187 30.76,1188 25.55,1189 0.448,1190 0.326,1191 16.447,1192 23.571,1193 15.859,1194 13.164,1195 26.504,1196 18.563,1197 23.028,1198 0.299,1199 0.178,1200 24.104,1201 13.681,1202 17.888,1203 0.188,1204 0.099,1205 19.103,1206 9.397,1207 14.771,1208 0.121,1209 0.055,1210 16.084,1211 6.72,1212 11.398,1213 0.077,1214 0.03,1215 12.505,1216 4.454,1217 0.186,1218 170.206,1219 0.163,1220 46.499,1221 0.279,1222 268,1223 860.935,1224 341.36,1225 869.039,1226 1161.12,1227 810,1228 306,1229 803.335,1230 368.854,1231 834.45,1232 1211.09,1233 781,1234 5.699}
{0 CHEMBL285719,1 1.518,2 30.078,3 5.243,4 27.484,5 247.772,6 6.978,7 0.343,8 4.907,9 5.038,10 4.413,11 4.395,12 5.935,13 4.372,14 5.485,15 5.679,16 4.745,17 4.792,18 6.501,19 4.738,20 5.781,21 6.011,22 4.843,23 4.981,24 6.74,25 4.894,26 5.861,27 6.103,28 4.825,29 4.981,30 6.843,31 4.886,32 5.854,33 6.098,34 4.835,35 4.978,36 6.888,37 4.884,38 5.842,39 6.088,40 4.806,41 4.96,42 6.835,43 4.866,44 5.823,45 6.068,46 4.746,47 4.914,48 6.866,49 4.812,50 5.769,51 6.02,52 4.64,53 4.828,54 6.757,55 4.726,56 0.048,57 1.858,58 27.971,59 11.113,60 15.229,61 15.617,62 0.881,63 2.979,64 54.001,65 17.961,66 71.477,67 26.387,68 0.923,69 3.692,70 74.67,71 25.005,72 102.912,73 36.5,74 1.021,75 3.773,76 82.556,77 26.597,78 134.706,79 38.862,80 1.259,81 3.765,82 82.288,83 25.969,84 164.618,85 38.386,86 0.954,87 3.72,88 80.977,89 25.747,90 124.818,91 38.042,92 1.28,93 3.557,94 80.203,95 25.3,96 163.942,97 37.031,98 0.949,99 3.273,100 76.537,101 23.793,102 137.984,103 34.65,104 26,105 93,106 0.211,107 0.496,108 0.702,109 0.849,110 0.882,111 0.885,112 4.176,113 0.965,114 -3.93,115 -3.89,116 -3.69,117 39.2,119 5,121 1,122 13,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 20,152 3,153 12,156 5,157 1,158 4,161 20,165 3,166 12,169 4,171 2,174 12,177 1,178 16,181 3,183 6,185 10,188 4,189 16,191 3,193 8,195 15,198 2,199 11,202 1,204 10,206 13,209 3,210 18,213 3,214 1,215 8,217 9,221 13,225 6,227 7,230 4,231 9,234 4,235 1,236 2,239 15,243 14276,244 43.896,245 43.896,246 43.896,247 43.896,248 43.896,249 40.319,250 60.184,251 26.794,252 44.808,253 34.643,254 34.643,255 34.643,256 34.643,257 34.643,258 29.031,259 83.869,260 12.88,261 36.022,262 5.447,263 3.392,264 1.901,265 0.843,266 0.604,267 0.582,268 4.888,273 4212,274 5.568,276 1531.58,277 249.044,280 413.763,282 4.917,283 66.043,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 138.5,294 1925,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.204,302 11.429,303 3.155,304 4.104,305 3.725,306 6.31,307 3.774,308 2.822,309 3.685,310 2.062,311 9.331,312 2.731,313 4.086,314 3.645,315 6.029,316 3.773,317 2.794,318 3.676,319 1.985,320 8.588,321 2.68,322 4.048,323 3.533,324 5.941,325 3.72,326 2.755,327 3.53,328 1.653,329 8.331,330 2.665,331 3.961,332 3.188,333 5.684,334 3.705,335 2.728,336 3.171,337 0.916,338 8.011,339 2.663,340 3.886,341 3.06,342 5.646,343 3.538,344 2.569,345 3.11,346 0.86,347 7.861,348 2.491,349 3.678,350 2.854,351 5.327,352 3.392,353 2.461,354 2.881,355 0.85,356 6.945,357 2.288,358 3.583,359 2.846,360 5.314,361 3.364,362 2.422,363 2.791,364 0.814,365 6.86,366 2.271,367 3.565,368 2.823,369 5.244,370 3.318,371 2.373,372 2.713,373 0.8,374 6.568,375 2.24,376 3.458,377 2.791,378 5.107,379 3.208,380 2.227,381 2.694,382 0.624,383 6.04,384 2.149,385 3.405,386 2.333,387 4.976,388 2.988,389 2.023,390 2.475,391 0.488,392 5.79,393 1.947,394 3.239,395 2.312,396 4.851,397 2.974,398 2.021,399 2.421,400 0.375,401 5.573,402 1.916,403 3.218,404 2.245,405 4.676,406 2.808,407 1.817,408 2.346,409 0.219,410 4.978,411 1.792,412 2.958,413 2.209,414 4.232,415 2.724,416 1.774,417 2.118,418 0.172,419 4.06,420 1.681,421 2.814,422 1.963,423 4.203,424 2.543,425 1.556,426 1.896,427 0.141,428 3.531,429 1.533,430 30.1,431 0.47,432 1.232,433 0.019,434 75.5,435 1.18,436 33,437 0.516,438 42.5,439 0.664,440 70.783,441 1.106,442 71.3,443 0.57,444 74.824,445 1.169,446 15.197,447 0.237,448 16.087,449 0.251,450 0.061,452 0.269,454 0.791,455 1.516,456 0.848,457 1.225,458 0.557,459 1.065,460 0.866,461 1.103,462 1.002,463 1.011,464 0.548,465 1.012,466 0.973,467 1.041,468 0.999,469 1.027,470 0.848,471 1.014,472 1.169,473 1.053,474 1.004,475 1.007,476 1.194,477 0.987,478 1.087,479 1.001,480 0.99,481 0.955,482 1.097,483 0.956,484 1.128,485 1.061,486 0.998,487 1.009,488 1.13,489 0.985,490 1.148,491 0.997,492 1.051,493 1.012,494 1.262,495 1.015,496 1.393,497 1.002,498 1.047,499 0.97,500 1.425,501 0.962,502 10.5,503 0.361,504 5.333,505 3.75,506 3.061,507 1.823,508 1.433,509 0.822,510 0.63,511 0.434,512 138507,513 318978,514 2.11,515 48.8,516 2,517 46,518 1,520 4,522 4,523 4,524 1.896,525 2.021,526 4.747,527 1.17,530 189.788,531 1.518,532 3.574,533 5.064,534 6.122,535 6.362,536 6.384,537 4.203,538 5.676,539 5.972,540 5.064,541 10209.5,542 10.634,543 310363,546 870.723,547 1.194,548 5.952,549 0.15,550 0.005,551 0.057,552 0.038,553 0.032,554 0.019,555 0.015,556 0.01,557 0.008,558 0.006,559 0.339,560 0.17,561 0.5,562 0.381,563 434.996,564 -0.029,565 -0.236,566 0.06,567 -0.087,568 -0.013,569 -0.013,570 0.11,571 0.074,572 -0.031,573 0.008,574 0.088,575 -0.026,576 -0.001,577 0.021,578 -0.017,579 -0.022,580 0.01,581 -0.022,582 -0.056,583 -0.057,584 0.001,585 -0.021,586 -0.034,587 -0.006,588 0.024,589 0.006,590 0.018,591 0.021,592 0.045,593 0.019,594 -0.054,595 -0.056,596 0.005,597 -0.029,598 -0.027,599 -0.006,600 0.026,601 -0.008,602 -0.035,603 -0.039,604 0.005,605 -0.044,606 -0.149,607 -0.05,608 -0.02,609 -0.002,610 -0.093,611 0.008,612 2.505,613 6.502,614 0.641,615 152.568,616 0.999,617 1.132,618 2.703,619 7.308,620 0.645,621 4.263,622 4.543,623 4.779,624 5.011,625 5.236,626 5.298,627 5.416,628 5.493,629 5.557,630 5.609,631 17.455,632 0.609,633 872.19,634 4.263,635 5.79,636 6.619,637 7.471,638 8.316,639 9.176,640 10.029,641 10.894,642 11.753,643 12.624,644 7.2,646 1,647 2,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 125,670 29,671 4,672 70,673 131,674 49,675 24,676 7,677 17,678 1,679 7,680 8,683 1,685 3,687 5,688 29,689 20,691 5,692 4,694 1,695 5,699 61,700 15,701 4,702 15,705 9,706 0.857,707 6,713 6,714 1,717 1,720 2,726 1,727 2,728 1,731 6,734 1,737 64,740 18,741 4,742 2,744 1,745 4,749 4.8,752 4,754 2,755 31.667,756 22,757 14.278,758 7.76,759 4.302,760 1.432,761 0.973,762 17.745,763 14.271,764 4.477,765 4.956,766 5.416,767 5.899,768 6.389,769 6.533,770 6.862,771 7.145,772 7.397,773 7.627,774 1,775 100,776 23.912,777 10.128,778 7.693,779 46.103,780 37.745,781 2.193,782 140.333,785 670.953,786 261.216,787 101.326,789 122.579,792 261.216,793 793.532,794 101.326,795 8.396,796 105.301,797 179.107,798 112.746,799 68.533,800 22.809,801 659.182,803 670.953,804 362.542,805 122.579,807 576.784,808 216.748,810 146.346,811 216.196,814 670.953,815 223.905,816 261.216,817 670.953,818 91.724,819 181.99,820 72.043,821 139.365,822 670.953,823 223.905,824 261.216,825 0.568,826 0.325,827 0.175,828 0.098,829 38,830 17,831 0.145,832 19,833 1,834 1.049,835 7.248,836 685.695,837 0.049,838 41,839 370,841 46.851,842 24.24,843 14.184,845 223.905,846 32.393,850 5.625,852 72.043,853 1156.07,854 87,855 52.048,857 4.732,858 -0.817,859 124.854,860 141.536,861 0.218,862 0.513,863 0.727,864 0.879,865 0.913,866 0.916,867 5.71,868 2.422,869 6.567,870 6.945,871 5.231,872 5.645,873 3.578,874 7.315,875 5.156,876 6.855,877 2.373,878 8.082,879 6.86,880 4.635,881 5.223,882 2.906,883 8.08,884 4.525,885 8.12,886 2.227,887 9.698,888 6.568,889 6.76,890 7.647,891 4.538,892 11.193,893 6.608,894 9.414,895 2.023,896 11.377,897 6.04,898 7.013,899 8.05,900 4.592,901 12.844,902 6.828,903 10.742,904 2.021,905 13.099,906 5.79,907 8.556,908 9.947,909 5.809,910 15.467,911 8.334,912 12.094,913 1.817,914 14.853,915 5.573,916 9.227,917 10.758,918 6.17,919 17.518,920 8.975,921 13.466,922 1.774,923 16.63,924 4.978,925 10.518,926 12.419,927 7.191,928 19.985,929 10.234,930 3.254,931 1.556,932 18.426,933 4.06,934 11.409,935 13.46,936 7.712,937 22.228,938 11.097,939 2.822,940 11.429,941 20.237,942 3.531,943 12.593,944 14.998,945 8.628,946 24.651,947 12.251,948 2.794,949 9.331,950 22.062,951 4.133,952 13.601,953 16.176,954 9.241,955 26.989,956 13.231,957 2.755,958 8.588,959 23.898,960 3.685,961 14.745,962 17.647,963 10.097,964 29.405,965 14.346,966 2.728,967 8.331,968 25.745,969 3.676,970 15.817,971 18.911,972 10.766,973 31.789,974 15.39,975 2.569,976 8.011,977 27.6,978 3.53,979 16.952,980 20.345,981 11.588,982 34.209,983 16.497,984 2.461,985 7.861,986 29.463,987 3.171,988 18.061,989 21.662,990 12.292,991 36.617,992 17.577,993 127550,994 194347,995 47.789,996 80.575,997 103.052,998 106.126,999 104.245,1000 102.024,1001 102.002,1002 124.62,1003 28.387,1004 277.27,1005 98.349,1006 5.553,1007 5.906,1008 6.699,1009 5.308,1010 5.254,1011 7.133,1012 3.951,1013 19.038,1014 5.155,1015 27.241,1016 1.472,1017 1.516,1018 1.489,1019 1.457,1020 1.457,1021 1.78,1022 0.406,1023 3.961,1024 1.405,1025 4.063,1026 4.1,1027 4.012,1028 3.971,1029 7.438,1030 3.975,1031 3.961,1032 3.999,1033 3.893,1034 3.873,1035 7.432,1036 3.873,1037 3.926,1038 3.958,1039 3.864,1040 3.848,1041 7.426,1042 3.847,1043 3.875,1044 3.938,1045 3.777,1046 3.764,1047 7.424,1048 3.758,1049 3.829,1050 3.862,1051 3.758,1052 3.679,1053 4.891,1054 3.691,1055 3.792,1056 3.847,1057 3.662,1058 3.652,1059 4.838,1060 3.645,1061 3.689,1062 3.758,1063 3.586,1064 3.49,1065 4.764,1066 3.494,1067 3.639,1068 3.695,1069 3.56,1070 3.419,1071 4.681,1072 3.452,1073 0.065,1074 0.056,1075 0.098,1076 0.06,1077 0.046,1078 4.553,1079 0.059,1080 3.906,1081 0.031,1082 6.873,1083 0.163,1084 4.224,1085 0.045,1086 3.254,1087 4.133,1088 2.204,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.041,1101 1.337,1102 2.046,1103 1.912,1104 1.885,1105 2.023,1106 2.039,1107 1.205,1108 2.037,1109 1.837,1110 1.806,1111 2.012,1112 2.019,1113 1.169,1114 2.018,1115 1.81,1116 1.741,1117 1.985,1118 1.947,1119 1.149,1120 1.961,1121 1.789,1122 1.73,1123 1.961,1124 1.944,1125 1.138,1126 1.948,1127 1.653,1128 1.585,1129 1.895,1130 1.877,1131 1.127,1132 1.884,1133 1.581,1134 1.529,1135 1.831,1136 1.827,1137 1.036,1138 1.822,1139 4.949,1140 6.24,1142 7.715,1143 2.708,1144 9.272,1145 5.46,1146 10.874,1147 1.666,1152 14.588,1153 11.593,1154 11.448,1156 -1.171,1157 8.228,1159 76.178,1160 189.788,1161 446.733,1162 633.042,1163 765.297,1164 795.213,1165 797.968,1166 154.224,1167 9.969,1168 160.18,1169 160.18,1170 43,1171 13.169,1172 4.907,1173 4.17,1174 108.239,1175 689,1176 688,1177 0.072,1178 464.402,1179 833,1180 1124.9,1181 629016,1183 44.513,1184 0.696,1185 0.575,1186 44.513,1187 36.806,1188 31.284,1189 0.447,1190 0.322,1191 22.172,1192 30.014,1193 21.754,1194 17.982,1195 31.284,1196 22.511,1197 27.218,1198 0.293,1199 0.176,1200 27.218,1201 16.401,1202 22.463,1203 0.19,1204 0.099,1205 22.463,1206 11.655,1207 18.304,1208 0.123,1209 0.055,1210 18.304,1211 8.19,1212 14.879,1213 0.08,1214 0.03,1215 14.879,1216 5.685,1217 0.123,1218 196.431,1219 0.145,1220 54.803,1221 0.172,1222 326,1223 929.97,1224 360.758,1225 885.464,1226 1198.6,1227 832,1228 374,1229 860.173,1230 408.74,1231 866.218,1232 1265.66,1233 815,1234 5.783}
{0 CHEMBL285746,1 1.725,2 17.13,3 3.97,4 15.758,5 180.779,6 8.302,7 0.46,8 4.468,9 4.591,10 4.165,11 4.046,12 5.642,13 4.008,14 4.96,15 5.118,16 4.516,17 4.415,18 6.153,19 4.348,20 5.211,21 5.402,22 4.584,23 4.538,24 6.362,25 4.471,26 5.287,27 5.486,28 4.682,29 4.583,30 6.448,31 4.506,32 5.338,33 5.528,34 4.691,35 4.603,36 6.643,37 4.554,38 5.397,39 5.597,40 4.658,41 4.626,42 6.601,43 4.564,44 5.407,45 5.613,46 4.612,47 4.602,48 6.609,49 4.531,50 5.382,51 5.601,52 4.597,53 4.581,54 6.617,55 4.491,56 0.118,57 1.261,58 14.903,59 6.821,60 19.435,61 8.168,62 0.529,63 1.99,64 32.506,65 12.211,66 48.262,67 14.849,68 0.736,69 2.371,70 40.414,71 14.031,72 85.767,73 17.566,74 0.627,75 2.489,76 50.518,77 17.179,78 87.058,79 20.612,80 0.994,81 2.601,82 48.041,83 15.671,84 142.466,85 19.196,86 0.766,87 2.676,88 50.639,89 17.693,90 104.238,91 21.95,92 0.876,93 2.641,94 52.481,95 17.071,96 134.558,97 20.824,98 1.029,99 2.532,100 56.292,101 18.744,102 150.754,103 22.718,104 39,105 68,106 0.26,107 0.609,108 0.765,109 0.851,110 0.886,111 0.891,112 3.853,113 0.982,114 -4.44,115 -4.37,116 -4.11,117 40.5,118 1,122 4,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 2,142 2,144 1,145 2,146 2,147 2,150 15,152 2,153 6,155 2,156 6,157 2,158 2,160 2,161 17,164 1,165 3,166 6,169 3,171 3,174 11,177 1,178 10,180 2,181 3,183 8,185 8,187 2,188 3,189 13,191 3,193 8,195 8,198 1,199 14,202 3,203 1,204 10,206 7,210 15,215 10,217 4,219 2,220 2,221 14,223 3,224 1,225 6,227 7,230 1,231 9,236 4,239 14,243 5792,244 30.999,245 30.999,246 30.999,247 30.999,248 30.999,249 27.317,250 36.909,251 18.767,252 31.863,253 24.77,254 24.77,255 24.77,256 24.77,257 24.77,258 19.203,259 50.043,260 9.039,261 26.144,262 4.579,263 2.264,264 1.229,265 0.655,266 0.424,267 0.389,268 4.554,273 1694,274 4.848,275 145.913,276 430.7,277 152.668,280 248.395,282 2.484,283 54.021,285 0.25,286 0.33,287 0.33,288 0.3,290 0.17,292 0.2,293 99.5,294 788,295 4.562,296 4.25,297 6.911,298 4.241,299 3.274,300 4.137,301 3.272,302 11.616,303 3.168,304 4.164,305 3.934,306 6.361,307 3.795,308 2.814,309 3.791,310 2.072,311 9.599,312 2.754,313 4.092,314 3.587,315 5.951,316 3.688,317 2.763,318 3.662,319 1.946,320 8.376,321 2.644,322 4.065,323 3.515,324 5.675,325 3.645,326 2.715,327 3.539,328 1.653,329 7.971,330 2.493,331 3.88,332 3.188,333 5.58,334 3.536,335 2.561,336 3.187,337 1.2,338 7.643,339 2.44,340 3.67,341 3.022,342 5.292,343 3.34,344 2.342,345 2.913,346 0.854,347 6.545,348 2.328,349 3.634,350 2.805,351 5.03,352 3.204,353 2.243,354 2.893,355 0.52,356 6.084,357 2.182,358 3.557,359 2.751,360 5.001,361 3.15,362 2.206,363 2.764,364 0.222,365 5.947,366 2.028,367 3.386,368 2.73,369 4.913,370 2.957,371 1.99,372 2.658,373 0.148,374 5.544,375 1.919,376 3.181,377 2.279,378 4.592,379 2.77,380 1.782,381 2.387,382 0.129,383 4.79,384 1.758,385 3.044,386 2.259,387 4.338,388 2.636,389 1.775,390 2.154,391 0.029,392 4.342,393 1.539,394 2.956,395 2.138,396 4.234,397 2.545,398 1.568,399 2.113,401 3.625,402 1.496,403 2.776,404 1.932,405 4.01,406 2.392,407 1.48,408 1.896,410 3.206,411 1.328,412 2.661,413 1.711,414 3.683,415 2.316,416 1.317,417 1.733,419 3.086,420 1.311,421 2.621,422 1.699,423 3.602,424 2.187,425 1.191,426 1.623,428 2.877,429 1.185,430 22.267,431 0.484,432 1.082,433 0.024,434 61,435 1.326,436 31,437 0.674,438 30,439 0.652,440 45.522,441 0.99,442 48.533,443 0.614,444 56.284,445 1.224,446 11.866,447 0.258,448 10.396,449 0.226,450 0.103,452 0.31,454 0.843,455 1.205,456 0.75,457 0.872,458 0.698,459 0.847,460 0.535,461 1.098,462 1.03,463 1.143,464 0.512,465 1.008,466 1.086,467 1.002,468 0.936,469 0.918,470 1.096,471 0.969,472 1.055,473 1.108,474 0.876,475 1.009,476 1.077,477 0.947,478 1.204,479 1.058,480 0.966,481 0.967,482 1.127,483 0.959,484 1.223,485 1.097,486 0.929,487 1.031,488 1.275,489 1.032,490 1.628,491 1.039,492 0.997,493 0.95,494 1.706,495 1.013,496 1.228,497 0.895,498 0.983,499 0.941,500 1.31,501 0.925,502 9,503 0.307,504 3.778,505 3.507,506 2.591,507 1.876,508 1.177,509 0.89,510 0.604,511 0.434,512 39528,513 117293,514 2.067,515 41.8,516 3,517 21,518 2,520 7,524 1.836,525 1.944,526 3.953,527 3.639,530 136.249,531 1.725,532 4.04,533 5.074,534 5.648,535 5.88,536 5.914,537 3.469,538 5.306,539 5.484,540 4.221,541 4368.8,542 9.753,543 85674.5,546 497.999,547 1.371,548 5.458,549 0.18,550 0.005,551 0.056,552 0.049,553 0.034,554 0.023,555 0.015,556 0.013,557 0.009,558 0.007,559 0.39,561 0.5,562 0.744,563 272.223,564 -0.122,565 -0.038,566 0.04,567 0.078,568 -0.109,569 0.06,570 0.27,571 0.029,572 -0.029,573 -0.092,574 0.119,575 -0.056,576 -0.037,577 0.051,578 -0.06,579 -0.002,580 -0.115,581 -0.043,582 0.01,583 -0.109,584 0.101,585 -0.017,586 0.01,587 0.027,588 0.042,589 -0.021,590 -0.062,591 -0.056,592 0.123,593 -0.045,594 -0.037,595 -0.117,596 -0.052,597 -0.122,598 -0.03,599 -0.086,600 -0.271,601 -0.074,602 -0.098,603 -0.046,604 -0.197,605 -0.077,606 0.031,607 0.048,608 0.019,609 0.04,610 0.074,611 0.057,612 2.627,613 7.026,614 0.609,615 76.028,616 1.008,617 1.126,618 3.206,619 10.276,620 0.694,621 3.932,622 4.234,623 4.466,624 4.754,625 4.97,626 5.094,627 5.231,628 5.352,629 5.447,630 5.537,631 9.857,632 0.659,633 655.88,634 3.932,635 5.468,636 6.301,637 7.172,638 8.028,639 8.909,640 9.777,641 10.664,642 11.54,643 12.432,644 11.4,645 2,649 4,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 79,670 28,671 3,672 50,673 83,674 32,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,684 1,688 26,689 6,691 5,692 3,694 2,695 5,699 33,700 12,701 7,702 14,703 2,705 9,706 0.8,707 3,712 1,713 3,714 1,717 1,719 1,720 1,725 2,731 4,732 1,733 2,734 1,737 46,738 2,740 4,741 3,743 1,744 1,745 1,747 1,749 3.8,752 3,755 23.667,756 14.05,757 10.167,758 4.301,759 3.477,760 1.405,761 0.993,762 11.552,763 12.052,764 4.212,765 4.76,766 5.256,767 5.81,768 6.266,769 6.469,770 6.803,771 7.089,772 7.367,773 7.656,774 1,775 72,776 17.101,777 7.319,778 7.859,779 31.981,780 25.765,781 2.359,782 108.5,785 306.049,786 245.842,787 173.308,789 75.435,791 63.497,792 182.345,793 381.483,794 173.308,795 8.825,796 128.962,797 130.84,798 104.386,799 51.899,800 29.717,801 346.004,803 306.049,804 355.652,805 75.435,806 63.497,807 306.049,808 75.435,810 174.615,811 164.251,812 16.786,813 63.497,814 306.049,815 248.742,816 245.842,817 306.049,818 106.177,819 142.79,820 54.032,821 191.586,822 306.049,823 248.742,824 245.842,825 0.572,826 0.319,827 0.181,828 0.102,829 29,830 14,831 0.133,832 11,833 1,834 1.071,835 5.37,836 477.528,837 0.071,838 28,839 246.084,840 2,841 33.29,842 15.962,843 9.243,845 248.742,846 25.874,847 4.355,849 1.347,850 4.826,852 119.827,853 800.633,854 66.5,855 40.281,857 8.692,858 -1.008,859 79.654,860 88.935,861 0.274,862 0.641,863 0.805,864 0.896,865 0.933,866 0.938,867 5.441,868 2.206,869 6.271,870 6.084,871 4.92,872 5.449,873 3.809,874 7.052,875 4.825,876 6.632,877 1.99,878 7.805,879 5.947,880 4.443,881 5.121,882 2.568,883 7.886,884 4.336,885 7.92,886 1.782,887 9.44,888 5.544,889 6.475,890 7.54,891 5.663,892 11.017,893 6.3,894 9.239,895 1.775,896 11.137,897 4.79,898 6.815,899 8.006,900 4.136,901 12.737,902 6.623,903 10.588,904 1.568,905 12.878,906 4.342,907 8.308,908 9.896,909 7.879,910 15.393,911 8.064,912 11.959,913 1.48,914 14.65,915 3.625,916 9.046,917 10.759,918 5.593,919 17.507,920 8.779,921 13.347,922 1.317,923 16.446,924 3.206,925 10.317,926 12.406,927 10.202,928 20.008,929 10.01,930 3.274,931 1.191,932 18.263,933 3.086,934 11.261,935 13.49,936 7.02,937 22.301,938 10.927,939 2.814,940 11.616,941 20.095,942 2.877,943 12.444,944 15.013,945 12.557,946 24.754,947 12.077,948 2.763,949 9.599,950 21.941,951 4.137,952 13.492,953 16.225,954 8.438,955 27.128,956 13.096,957 2.715,958 8.376,959 23.799,960 3.791,961 14.646,962 17.683,963 14.923,964 29.569,965 14.22,966 2.561,967 7.971,968 25.666,969 3.662,970 15.749,971 18.97,972 9.854,973 31.981,974 15.294,975 2.342,976 7.643,977 27.541,978 3.539,979 16.899,980 20.395,981 17.292,982 34.422,983 16.415,984 2.243,985 6.545,986 29.424,987 3.187,988 18.033,989 21.727,990 11.272,991 36.852,992 17.518,993 37568,994 64958,995 33.402,996 54.847,997 75.169,998 79.556,999 75.966,1000 73.585,1001 73.661,1002 95.956,1003 24.093,1004 205.05,1005 70.09,1006 5.538,1007 6.25,1008 6.713,1009 5.386,1010 5.274,1011 7.137,1012 6.545,1013 19.23,1014 5.168,1015 23.849,1016 1.503,1017 1.591,1018 1.519,1019 1.472,1020 1.473,1021 1.919,1022 0.482,1023 4.101,1024 1.402,1025 4.051,1026 4.083,1027 4.235,1028 3.966,1029 7.437,1030 3.969,1031 3.924,1032 3.957,1033 4.005,1034 3.86,1035 7.428,1036 3.852,1037 3.861,1038 3.889,1039 3.861,1040 3.841,1041 7.422,1042 3.771,1043 3.834,1044 3.867,1045 3.829,1046 3.766,1047 5.336,1048 3.761,1049 3.675,1050 3.723,1051 3.763,1052 3.512,1053 4.876,1054 3.503,1055 3.612,1056 3.665,1057 3.582,1058 3.418,1059 4.804,1060 3.42,1061 3.465,1062 3.55,1063 3.492,1064 3.264,1065 4.754,1066 3.256,1067 3.389,1068 3.448,1069 3.364,1070 3.133,1071 4.678,1072 3.166,1073 0.091,1074 0.085,1075 0.138,1076 0.085,1077 0.065,1078 4.562,1079 0.083,1080 4.25,1081 0.065,1082 6.911,1083 0.232,1084 4.241,1085 0.063,1086 3.274,1087 4.137,1088 3.272,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.057,1094 2.042,1095 1.176,1096 2.047,1097 1.914,1098 1.884,1099 2.037,1100 2.018,1101 1.132,1102 2.022,1103 1.84,1104 1.809,1105 1.961,1106 1.957,1107 1.12,1108 1.955,1109 1.644,1110 1.601,1111 1.802,1112 1.844,1113 1.045,1114 1.846,1115 1.575,1116 1.536,1117 1.691,1118 1.791,1119 0.888,1120 1.777,1121 1.472,1122 1.424,1123 1.617,1124 1.764,1125 0.836,1126 1.725,1127 1.453,1128 1.401,1129 1.56,1130 1.634,1131 0.693,1132 1.652,1133 1.309,1134 1.252,1135 1.546,1136 1.55,1137 0.609,1138 1.546,1139 4.615,1140 5.922,1141 2.398,1142 7.401,1143 4.727,1144 8.965,1145 6.843,1146 10.579,1147 1.916,1150 10.809,1152 1.367,1153 8.374,1155 1.591,1156 -1.294,1157 1.37,1159 52.033,1160 136.249,1161 319.164,1162 400.873,1163 446.224,1164 464.489,1165 467.244,1166 110.698,1167 8.575,1168 180.19,1169 233.73,1170 30,1171 12.963,1172 4.858,1173 4.129,1174 79.205,1175 256,1176 352,1177 0.14,1178 329.319,1179 576.91,1180 795.299,1181 76433,1183 32.468,1184 0.706,1185 0.578,1186 33.175,1187 26.606,1188 22.262,1189 0.445,1190 0.327,1191 14.324,1192 20.565,1193 13.803,1194 11.456,1195 23.216,1196 16.367,1197 20.061,1198 0.295,1199 0.179,1200 21.136,1201 12.158,1202 15.648,1203 0.182,1204 0.098,1205 16.863,1206 8.46,1207 13.497,1208 0.117,1209 0.054,1210 14.81,1211 6.249,1212 10.728,1213 0.075,1214 0.03,1215 11.835,1216 4.245,1217 0.224,1218 148.456,1219 0.173,1220 40.531,1221 0.374,1222 236,1223 715.131,1224 302.214,1225 739.836,1226 997.67,1227 690,1228 272,1229 695.906,1230 328.457,1231 729.517,1232 1063.04,1233 684,1234 5.319}
{0 CHEMBL285995,1 1.679,2 24.673,3 3.751,4 14.073,5 206.956,6 7.811,7 0.411,8 4.638,9 4.766,10 4.275,11 4.185,12 5.762,13 4.144,14 5.153,15 5.323,16 4.602,17 4.56,18 6.287,19 4.48,20 5.408,21 5.618,22 4.665,23 4.688,24 6.468,25 4.601,26 5.481,27 5.698,28 4.735,29 4.715,30 6.573,31 4.617,32 5.503,33 5.719,34 4.661,35 4.71,36 6.641,37 4.624,38 5.511,39 5.735,40 4.623,41 4.698,42 6.599,43 4.597,44 5.494,45 5.727,46 4.564,47 4.628,48 6.592,49 4.53,50 5.426,51 5.662,52 4.448,53 4.559,54 6.529,55 4.449,56 0.107,57 1.468,58 20.02,59 8.536,60 19.37,61 10.802,62 0.693,63 2.292,64 41.598,65 14.955,66 62.015,67 19.028,68 0.719,69 2.751,70 53.877,71 17.986,72 87.969,73 23.918,74 0.775,75 2.869,76 63.444,77 20.6,78 105.589,79 26.198,80 0.955,81 2.894,82 61.487,83 19.605,84 129.719,85 25.435,86 0.787,87 2.85,88 61.463,89 20.715,90 101.964,91 27.164,92 0.837,93 2.745,94 63.099,95 19.128,96 124.307,97 25.538,98 0.96,99 2.497,100 59.988,101 19.251,102 130.048,103 24.888,104 39,105 74,106 0.245,107 0.598,108 0.786,109 0.867,110 0.895,111 0.899,112 3.972,113 1.009,114 -3.41,115 -3.39,116 -3.25,117 38.9,119 2,121 1,122 6,125 1,129 1,131 1,132 13,133 3,134 2,136 1,138 1,140 1,141 1,142 2,143 1,145 2,146 2,147 2,150 15,152 2,153 7,156 5,157 2,158 6,160 2,161 18,163 2,164 1,165 2,166 7,169 2,171 3,174 11,177 1,178 15,180 2,181 3,182 1,183 9,185 8,187 2,188 2,189 11,191 2,193 7,195 10,199 14,202 4,204 10,206 8,210 14,215 10,217 5,219 2,220 1,221 13,223 2,224 1,225 7,227 7,231 7,236 2,239 14,243 8134,244 35.241,245 35.241,246 35.241,247 35.241,248 35.241,249 31.612,250 42.69,251 21.66,252 36.256,253 27.733,254 27.733,255 27.733,256 27.733,257 27.733,258 22.16,259 56.28,260 10.445,261 29.282,262 4.891,263 2.47,264 1.186,265 0.629,266 0.437,267 0.408,268 4.673,273 2760,274 5.431,275 191.515,276 548.751,277 188.619,280 315.375,282 3.98,283 54.854,285 0.25,286 0.33,287 0.33,288 0.7,289 1,290 0.17,292 0.4,293 112.5,294 1283,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.164,305 3.906,306 6.31,307 3.774,308 2.793,309 3.791,310 2.186,311 9.331,312 2.732,313 4.102,314 3.638,315 5.941,316 3.705,317 2.763,318 3.684,319 2.062,320 8.331,321 2.672,322 4.047,323 3.533,324 5.675,325 3.663,326 2.724,327 3.53,328 1.653,329 7.971,330 2.492,331 3.885,332 3.188,333 5.643,334 3.537,335 2.566,336 3.171,337 0.85,338 7.854,339 2.482,340 3.664,341 2.892,342 5.233,343 3.33,344 2.386,345 2.913,346 0.488,347 6.509,348 2.254,349 3.635,350 2.829,351 5.084,352 3.25,353 2.265,354 2.857,355 0.4,356 6.084,357 2.189,358 3.604,359 2.788,360 5.03,361 3.185,362 2.244,363 2.816,364 0.4,365 6.082,366 2.106,367 3.408,368 2.558,369 5.022,370 2.999,371 2.033,372 2.698,373 0.366,374 5.847,375 1.959,376 3.233,377 2.294,378 4.684,379 2.832,380 1.888,381 2.437,382 0.219,383 4.999,384 1.814,385 3.05,386 2.242,387 4.338,388 2.796,389 1.832,390 2.156,391 0.03,392 4.345,393 1.73,394 2.958,395 2.212,396 4.204,397 2.626,398 1.734,399 2.119,401 3.746,402 1.534,403 2.863,404 1.991,405 4.003,406 2.544,407 1.557,408 1.896,410 3.532,411 1.517,412 2.776,413 1.9,414 3.886,415 2.411,416 1.491,417 1.869,419 3.123,420 1.355,421 2.683,422 1.764,423 3.616,424 2.317,425 1.318,426 1.759,428 3.089,429 1.316,430 25.1,431 0.483,432 1.082,433 0.021,434 64,435 1.231,436 30.5,437 0.587,438 33.5,439 0.644,440 53.644,441 1.032,442 56.5,443 0.595,444 58.84,445 1.132,446 12.569,447 0.242,448 12.693,449 0.244,450 0.092,452 0.275,454 0.871,455 1.253,456 0.787,457 0.948,458 0.701,459 0.917,460 0.671,461 1.117,462 1.06,463 1.107,464 0.518,465 1.028,466 1.026,467 1.035,468 0.949,469 0.962,470 0.951,471 0.973,472 1.106,473 1.059,474 0.924,475 0.996,476 1.134,477 0.974,478 1.261,479 1.026,480 1.067,481 0.986,482 1.126,483 0.993,484 1.099,485 1.083,486 0.983,487 1.044,488 1.091,489 1.044,490 1.377,491 1.051,492 1.005,493 1.001,494 1.449,495 0.995,496 1.259,497 0.933,498 1.027,499 0.958,500 1.431,501 0.958,502 9,503 0.232,504 4,505 3.507,506 2.391,507 1.716,508 1.084,509 0.688,510 0.538,511 0.361,512 70896,513 199421,514 2.059,515 45.3,517 29,518 2,520 8,522 2,523 2,524 1.852,525 1.95,526 4.444,527 4.282,530 159.528,531 1.679,532 4.1,533 5.384,534 5.941,535 6.133,536 6.162,537 3.9,538 5.287,539 5.667,540 4.767,541 6321.05,542 10.037,543 157473,546 624.136,547 1.3,548 5.642,549 0.161,550 0.004,551 0.054,552 0.045,553 0.03,554 0.022,555 0.015,556 0.01,557 0.009,558 0.006,559 0.356,560 0.17,561 0.38,562 0.688,563 331.773,564 -0.103,565 -0.043,566 0.046,567 0.057,568 -0.09,569 0.048,570 0.226,571 0.023,572 -0.044,573 -0.041,574 0.134,575 -0.047,576 -0.046,577 0.012,578 -0.022,579 -0.002,580 -0.059,581 -0.006,582 -0.018,583 -0.055,584 0.062,585 -0.005,586 -0.01,587 0.004,588 -0.082,589 -0.004,590 -0.106,591 -0.035,592 0.011,593 -0.041,594 -0.017,595 -0.105,596 -0.049,597 -0.092,598 0.003,599 -0.068,600 -0.162,601 -0.092,602 -0.043,603 -0.058,604 -0.104,605 -0.03,606 -0.03,607 0.001,608 -0.044,609 0.006,610 -0.042,611 0.02,612 2.48,613 6.428,614 0.538,615 106.834,616 1.004,617 1.129,618 2.182,619 4.763,620 0.675,621 4.043,622 4.317,623 4.533,624 4.779,625 4.963,626 5.069,627 5.182,628 5.247,629 5.308,630 5.375,631 14.243,632 0.636,633 742.03,634 4.043,635 5.565,636 6.385,637 7.239,638 8.081,639 8.945,640 9.799,641 10.671,642 11.534,643 12.411,644 9.5,645 2,646 1,649 4,651 1,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 95,670 28,671 3,672 56,673 99,674 37,675 21,676 5,677 13,678 3,679 5,680 6,683 1,687 2,688 27,689 10,691 5,692 3,693 1,694 1,695 5,699 43,700 13,701 8,702 15,703 2,705 9,706 0.8,707 4,712 1,713 3,714 1,717 1,720 1,722 1,723 1,725 2,726 1,728 1,731 4,732 1,733 2,734 1,737 52,738 2,740 8,741 4,742 1,743 1,744 1,745 1,747 1,749 4.2,752 3,754 1,755 26.667,756 16.6,757 11.667,758 5.343,759 4.103,760 1.46,761 0.978,762 15.22,763 13.033,764 4.297,765 4.81,766 5.291,767 5.821,768 6.259,769 6.46,770 6.789,771 7.036,772 7.289,773 7.569,774 0.938,775 78,776 19.297,777 8.092,778 7.798,779 36.544,780 29.225,781 2.298,782 119.5,785 411.989,786 269.572,787 174.533,789 86.435,791 63.497,792 206.075,793 498.423,794 174.533,795 8.396,796 140.729,797 158.327,798 100.611,799 47.94,800 34.581,801 451.944,803 411.989,804 380.608,805 86.435,806 63.497,807 364.904,808 133.519,810 179.211,811 175.135,812 26.262,813 63.497,814 411.989,815 260.967,816 269.572,817 411.989,818 120.859,819 151.837,820 72.043,821 185.8,822 411.989,823 260.967,824 269.572,825 0.566,826 0.315,827 0.173,828 0.093,829 29,830 14,831 0.172,832 17,833 1,834 1.071,835 6.195,836 516.303,837 0.071,838 28,839 290.423,840 2,841 39.124,842 20.23,843 12.248,845 260.967,846 26.318,847 4.474,849 1.517,850 5.539,852 137.837,853 942.528,854 72.5,855 38.721,856 1.659,857 4.724,858 -0.56,859 95.399,860 107.221,861 0.256,862 0.624,863 0.82,864 0.904,865 0.933,866 0.938,867 5.516,868 2.244,869 6.337,870 6.084,871 5.004,872 5.499,873 3.811,874 7.088,875 4.906,876 6.685,877 2.033,878 7.853,879 6.082,880 4.443,881 5.121,882 2.581,883 7.87,884 4.33,885 7.96,886 1.888,887 9.472,888 5.847,889 6.529,890 7.561,891 5.694,892 10.996,893 6.351,894 9.268,895 1.832,896 11.156,897 4.999,898 6.815,899 8.011,900 4.308,901 12.68,902 6.619,903 10.61,904 1.734,905 12.885,906 4.345,907 8.333,908 9.905,909 7.903,910 15.323,911 8.088,912 11.974,913 1.557,914 14.647,915 3.746,916 9.036,917 10.763,918 5.903,919 17.405,920 8.771,921 13.357,922 1.491,923 16.434,924 3.532,925 10.316,926 12.41,927 10.215,928 19.891,929 10.013,930 3.254,931 1.318,932 18.242,933 3.123,934 11.237,935 13.493,936 7.46,937 22.157,938 10.91,939 2.793,940 11.429,941 20.065,942 3.089,943 12.42,944 15.015,945 12.564,946 24.595,947 12.062,948 2.763,949 9.331,950 21.903,951 4.133,952 13.452,953 16.226,954 9.001,955 26.946,956 13.069,957 2.724,958 8.331,959 23.752,960 3.791,961 14.602,962 17.684,963 14.926,964 29.372,965 14.191,966 2.566,967 7.971,968 25.611,969 3.684,970 15.694,971 18.969,972 10.537,973 31.764,974 15.256,975 2.386,976 7.854,977 27.478,978 3.53,979 16.837,980 20.394,981 17.293,982 34.19,983 16.373,984 2.265,985 6.509,986 29.352,987 3.171,988 17.961,989 21.725,990 12.071,991 36.602,992 17.469,993 67040,994 112641,995 37.561,996 64.108,997 82.554,998 87.581,999 83.608,1000 81.162,1001 81.22,1002 103.486,1003 23.853,1004 219.995,1005 77.13,1006 5.527,1007 6.25,1008 6.784,1009 5.364,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 26.681,1016 1.474,1017 1.564,1018 1.493,1019 1.449,1020 1.45,1021 1.848,1022 0.426,1023 3.928,1024 1.377,1025 4.049,1026 4.082,1027 4.239,1028 3.967,1029 7.437,1030 3.968,1031 3.939,1032 3.97,1033 4.001,1034 3.884,1035 7.432,1036 3.866,1037 3.88,1038 3.905,1039 3.876,1040 3.862,1041 7.424,1042 3.805,1043 3.829,1044 3.862,1045 3.829,1046 3.764,1047 5.283,1048 3.758,1049 3.735,1050 3.804,1051 3.758,1052 3.559,1053 4.879,1054 3.542,1055 3.638,1056 3.684,1057 3.6,1058 3.43,1059 4.787,1060 3.455,1061 3.57,1062 3.623,1063 3.568,1064 3.42,1065 4.748,1066 3.386,1067 3.493,1068 3.56,1069 3.412,1070 3.289,1071 4.681,1072 3.303,1073 0.081,1074 0.076,1075 0.123,1076 0.075,1077 0.058,1078 4.553,1079 0.074,1080 4.25,1081 0.058,1082 6.873,1083 0.204,1084 4.224,1085 0.056,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.04,1095 1.234,1096 2.047,1097 1.924,1098 1.896,1099 2.043,1100 2.027,1101 1.22,1102 2.032,1103 1.837,1104 1.806,1105 1.961,1106 1.946,1107 1.169,1108 1.948,1109 1.698,1110 1.632,1111 1.932,1112 1.921,1113 1.085,1114 1.931,1115 1.604,1116 1.563,1117 1.737,1118 1.825,1119 1.036,1120 1.8,1121 1.579,1122 1.536,1123 1.72,1124 1.8,1125 0.873,1126 1.791,1127 1.565,1128 1.528,1129 1.704,1130 1.751,1131 0.852,1132 1.755,1133 1.447,1134 1.4,1135 1.671,1136 1.654,1137 0.818,1138 1.672,1139 4.727,1140 6.014,1141 2.398,1142 7.471,1143 4.727,1144 9.014,1145 6.843,1146 10.608,1147 1.671,1150 10.981,1152 5.285,1153 11.673,1154 5.346,1155 1.79,1156 -1.146,1157 1.51,1159 60.382,1160 159.528,1161 389.479,1162 511.501,1163 564.362,1164 582.627,1165 585.381,1166 129.039,1167 8.929,1168 189.09,1169 242.63,1170 30,1171 12.953,1172 4.858,1173 4.129,1174 97.519,1175 447,1176 504,1177 0.1,1178 381.277,1179 672.2,1180 922.076,1181 155982,1183 36.71,1184 0.706,1185 0.586,1186 37.417,1187 30.473,1188 25.262,1189 0.451,1190 0.336,1191 16.738,1192 23.395,1193 16.193,1194 13.441,1195 26.216,1196 18.828,1197 22.126,1198 0.299,1199 0.186,1200 23.202,1201 13.745,1202 17.409,1203 0.189,1204 0.105,1205 18.623,1206 9.633,1207 14.437,1208 0.122,1209 0.059,1210 15.767,1211 6.961,1212 11.143,1213 0.078,1214 0.033,1215 12.201,1216 4.674,1217 0.17,1218 167.54,1219 0.163,1220 46.407,1221 0.244,1222 260,1223 777.554,1224 328.367,1225 793.627,1226 1067.03,1227 742,1228 296,1229 738.318,1230 354.531,1231 771.094,1232 1120.7,1233 723,1234 5.886}
{0 CHEMBL286475,1 1.511,2 22.145,3 5.438,4 29.57,5 212.239,6 7.154,7 0.4,8 4.721,9 4.848,10 4.246,11 4.246,12 5.789,13 4.221,14 5.276,15 5.458,16 4.582,17 4.633,18 6.33,19 4.578,20 5.584,21 5.805,22 4.685,23 4.801,24 6.603,25 4.723,26 5.633,27 5.867,28 4.705,29 4.797,30 6.683,31 4.722,32 5.633,33 5.849,34 4.772,35 4.831,36 6.81,37 4.767,38 5.682,39 5.902,40 4.8,41 4.852,42 6.855,43 4.785,44 5.704,45 5.933,46 4.697,47 4.823,48 6.798,49 4.746,50 5.649,51 5.88,52 4.671,53 4.768,54 6.801,55 4.692,56 0.043,57 1.525,58 22.169,59 9.367,60 12.595,61 12.72,62 0.54,63 2.459,64 41.955,65 15.485,66 52.839,67 21.811,68 0.811,69 3.086,70 60.587,71 20.653,72 101.578,73 29.253,74 0.824,75 3.145,76 64.778,77 21.462,78 111.031,79 30.645,80 1.042,81 3.189,82 64.073,83 21.152,84 162.883,85 29.948,86 0.944,87 3.318,88 67.323,89 22.485,90 156.742,91 31.892,92 0.954,93 3.279,94 70.373,95 22.225,96 146.029,97 31.208,98 1.043,99 3.076,100 66.844,101 21.434,102 165.228,103 30.153,104 26,105 80,106 0.217,107 0.515,108 0.715,109 0.853,110 0.889,111 0.893,112 4.027,113 0.949,114 -4.68,115 -4.59,116 -4.32,117 41.3,118 1,119 5,122 7,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 21,152 1,153 11,156 5,157 1,158 5,161 22,165 3,166 10,169 3,171 2,174 13,177 1,178 14,181 3,182 1,183 6,185 12,188 4,189 13,191 3,193 8,195 15,198 3,199 14,202 3,203 1,204 13,206 12,209 1,210 19,213 1,215 9,217 9,220 1,221 18,223 3,224 1,225 8,227 10,230 1,231 12,234 2,236 5,239 18,243 9469,244 37.551,245 37.551,246 37.551,247 37.551,248 37.551,249 33.897,250 47.203,251 22.975,252 38.083,253 29.736,254 29.736,255 29.736,256 29.736,257 29.736,258 24.1,259 63.194,260 11.077,261 30.547,262 5.19,263 3.107,264 1.713,265 0.749,266 0.495,267 0.469,268 4.736,273 2651,274 5.196,276 978.528,277 197.544,280 318.419,282 3.021,283 62.36,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 118.5,294 1218,295 4.562,296 3.934,297 6.911,298 4.241,299 3.274,300 4.137,301 2.072,302 11.616,303 3.168,304 4.092,305 3.598,306 6.361,307 3.795,308 2.814,309 3.676,310 1.946,311 9.599,312 2.754,313 4.086,314 3.566,315 5.951,316 3.72,317 2.755,318 3.662,319 1.907,320 8.376,321 2.663,322 4.065,323 3.513,324 5.684,325 3.688,326 2.715,327 3.539,328 1.653,329 8.011,330 2.644,331 3.88,332 3.188,333 5.58,334 3.536,335 2.562,336 3.187,337 0.916,338 7.643,339 2.494,340 3.695,341 3.06,342 5.327,343 3.415,344 2.462,345 2.901,346 0.86,347 6.945,348 2.404,349 3.634,350 2.823,351 5.293,352 3.39,353 2.41,354 2.828,355 0.854,356 6.552,357 2.298,358 3.564,359 2.804,360 5.053,361 3.304,362 2.3,363 2.754,364 0.52,365 6.114,366 2.287,367 3.55,368 2.73,369 4.987,370 3.198,371 2.199,372 2.712,373 0.222,374 5.919,375 2.179,376 3.384,377 2.33,378 4.904,379 2.97,380 2.015,381 2.653,382 0.172,383 5.573,384 1.918,385 3.238,386 2.259,387 4.851,388 2.951,389 1.98,390 2.387,391 0.149,392 5.527,393 1.912,394 3.181,395 2.138,396 4.592,397 2.77,398 1.775,399 2.346,400 0.148,401 4.79,402 1.758,403 2.956,404 1.932,405 4.233,406 2.577,407 1.601,408 2.112,409 0.029,410 3.608,411 1.556,412 2.776,413 1.832,414 4.01,415 2.537,416 1.549,417 1.896,419 3.324,420 1.526,421 2.721,422 1.711,423 3.717,424 2.393,425 1.417,426 1.788,428 3.096,429 1.379,430 25.967,431 0.472,432 1.112,433 0.02,434 68.5,435 1.245,436 33,437 0.6,438 35.5,439 0.645,440 57.485,441 1.045,442 59.833,443 0.575,444 68.137,445 1.239,446 13.724,447 0.25,448 13.093,449 0.238,450 0.071,452 0.281,454 0.748,455 1.372,456 0.828,457 1.129,458 0.551,459 1.004,460 0.751,461 1.154,462 0.954,463 1.073,464 0.551,465 1.041,466 1.075,467 1.037,468 1.014,469 0.988,470 1.001,471 0.989,472 1.106,473 1.034,474 0.936,475 0.953,476 1.097,477 0.923,478 1.111,479 1.05,480 0.976,481 0.971,482 1.097,483 0.952,484 1.048,485 1.141,486 0.952,487 1.064,488 1.141,489 1.002,490 1.502,491 1.02,492 1.113,493 0.972,494 1.48,495 0.98,496 1.338,497 0.985,498 1.02,499 0.943,500 1.34,501 0.936,502 9.5,503 0.347,504 4.222,505 3.625,506 2.759,507 1.907,508 1.301,509 0.932,510 0.695,511 0.53,512 74241,513 173504,514 2.097,515 47.1,516 5,517 31,518 1,520 4,521 2,522 4,523 2,524 1.871,525 2,526 4.304,527 1.227,530 157.134,531 1.511,532 3.594,533 4.987,534 5.951,535 6.205,536 6.232,537 3.763,538 5.563,539 5.747,540 4.589,541 6815.13,542 10.24,543 163089,546 696.846,547 1.241,548 5.729,549 0.158,550 0.005,551 0.053,552 0.042,553 0.032,554 0.021,555 0.014,556 0.011,557 0.008,558 0.007,559 0.35,561 0.5,562 0.42,563 348.599,564 -0.038,565 -0.144,566 0.047,567 -0.036,568 -0.025,569 0.01,570 0.123,571 -0.004,572 -0.018,573 -0.053,574 0.066,575 -0.059,576 -0.017,577 0.014,578 -0.027,579 -0.004,580 -0.053,581 -0.018,582 0.005,583 -0.02,584 0.068,585 0.02,587 0.047,588 0.083,589 -0.006,590 0.028,591 0.004,592 0.121,593 0.008,594 0.115,595 -0.113,596 0.05,597 -0.086,598 0.115,599 -0.036,600 -0.169,601 -0.016,602 -0.082,603 -0.016,604 -0.115,605 -0.032,606 -0.021,607 0.003,608 0.011,609 0.018,610 0.047,611 0.019,612 2.668,613 7.125,614 0.636,615 107.39,616 0.999,617 1.127,618 3.446,619 11.873,620 0.657,621 4.111,622 4.394,623 4.625,624 4.89,625 5.13,626 5.22,627 5.352,628 5.497,629 5.587,630 5.666,631 12.665,632 0.623,633 743.99,634 4.111,635 5.638,636 6.466,637 7.326,638 8.173,639 9.043,640 9.902,641 10.78,642 11.648,643 12.531,644 6.7,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 104,670 29,671 4,672 60,673 109,674 43,675 24,676 7,677 17,678 1,679 6,680 7,683 1,684 1,685 3,687 5,688 29,689 14,691 5,692 4,694 1,695 5,699 49,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 55,740 12,741 4,742 1,744 1,745 2,749 4.8,752 4,754 1,755 27.5,756 18.433,757 12.25,758 6.422,759 3.519,760 1.388,761 0.978,762 14.471,763 12.581,764 4.357,765 4.86,766 5.328,767 5.847,768 6.354,769 6.508,770 6.839,771 7.171,772 7.44,773 7.715,774 1,775 86,776 20.593,777 8.808,778 7.752,779 39.255,780 32.059,781 2.252,782 123.833,785 529.7,786 244.466,787 95.077,789 111.58,792 244.466,793 641.279,794 95.077,795 8.825,796 105.067,797 161.096,798 117.45,799 54.409,800 16.047,801 517.928,803 529.7,804 339.544,805 111.58,807 459.073,808 182.206,810 133.802,811 205.742,814 529.7,815 206.657,816 244.466,817 529.7,818 74.545,819 176.17,820 72.043,821 128.365,822 529.7,823 206.657,824 244.466,825 0.568,826 0.32,827 0.178,828 0.101,829 33,830 15,831 0.138,832 15,833 1,834 1.057,835 6.232,836 591.23,837 0.057,838 35,839 305.975,841 39.673,842 20.061,843 11.738,845 206.657,846 32.031,850 5.436,852 72.043,853 980.823,854 77,855 53.152,857 4.753,858 -1.369,859 103.905,860 117.254,861 0.225,862 0.536,863 0.744,864 0.888,865 0.926,866 0.93,867 5.583,868 2.3,869 6.418,870 6.552,871 5.081,872 5.549,873 3.409,874 7.175,875 5.029,876 6.744,877 2.199,878 7.936,879 6.114,880 4.511,881 5.156,882 2.802,883 7.958,884 4.441,885 8.015,886 2.015,887 9.554,888 5.919,889 6.613,890 7.585,891 4.318,892 11.09,893 6.501,894 9.317,895 1.98,896 11.237,897 5.573,898 6.878,899 7.993,900 4.394,901 12.778,902 6.743,903 10.651,904 1.775,905 12.964,906 5.527,907 8.416,908 9.904,909 5.48,910 15.43,911 8.244,912 12.008,913 1.601,914 14.724,915 4.79,916 9.101,917 10.716,918 5.85,919 17.527,920 8.899,921 13.384,922 1.549,923 16.51,924 3.608,925 10.394,926 12.388,927 6.747,928 20.024,929 10.16,930 3.274,931 1.417,932 18.317,933 3.324,934 11.303,935 13.43,936 7.264,937 22.31,938 11.035,939 2.814,940 11.616,941 20.141,942 3.096,943 12.494,944 14.976,945 8.066,946 24.76,947 12.195,948 2.755,949 9.599,950 21.979,951 4.137,952 13.522,953 16.157,954 8.663,955 27.132,956 13.188,957 2.715,958 8.376,959 23.83,960 3.676,961 14.677,962 17.633,963 9.416,964 29.572,965 14.312,966 2.562,967 8.011,968 25.691,969 3.662,970 15.769,971 18.899,972 10.059,973 31.983,974 15.368,975 2.462,976 7.643,977 27.562,978 3.539,979 16.918,980 20.337,981 10.787,982 34.423,983 16.484,984 2.41,985 6.945,986 29.44,987 3.187,988 18.044,989 21.656,990 11.456,991 36.852,992 17.575,993 69110,994 106187,995 40.739,996 68.302,997 88.578,998 91.232,999 89.651,1000 87.35,1001 87.32,1002 109.952,1003 22.9,1004 238.283,1005 85.193,1006 5.562,1007 5.934,1008 6.713,1009 5.309,1010 5.274,1011 7.137,1012 3.598,1013 19.23,1014 5.168,1015 23.966,1016 1.476,1017 1.521,1018 1.494,1019 1.456,1020 1.455,1021 1.833,1022 0.382,1023 3.971,1024 1.42,1025 4.061,1026 4.095,1027 4.014,1028 3.971,1029 7.438,1030 3.975,1031 3.956,1032 3.993,1033 3.887,1034 3.871,1035 7.428,1036 3.87,1037 3.919,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.835,1044 3.869,1045 3.765,1046 3.766,1047 7.422,1048 3.761,1049 3.793,1050 3.848,1051 3.664,1052 3.654,1053 4.887,1054 3.646,1055 3.755,1056 3.809,1057 3.657,1058 3.559,1059 4.838,1060 3.574,1061 3.645,1062 3.692,1063 3.575,1064 3.444,1065 4.753,1066 3.469,1067 3.591,1068 3.652,1069 3.49,1070 3.38,1071 4.678,1072 3.393,1073 0.076,1074 0.066,1075 0.115,1076 0.071,1077 0.055,1078 4.562,1079 0.069,1080 3.934,1081 0.035,1082 6.911,1083 0.194,1084 4.241,1085 0.053,1086 3.274,1087 4.137,1088 2.072,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.042,1101 1.202,1102 2.048,1103 1.914,1104 1.884,1105 2.037,1106 2.018,1107 1.175,1108 2.022,1109 1.84,1110 1.809,1111 1.985,1112 1.965,1113 1.132,1114 1.965,1115 1.789,1116 1.731,1117 1.962,1118 1.948,1119 1.131,1120 1.955,1121 1.693,1122 1.636,1123 1.905,1124 1.903,1125 1.087,1126 1.907,1127 1.604,1128 1.553,1129 1.817,1130 1.828,1131 1.041,1132 1.82,1133 1.536,1134 1.478,1135 1.699,1136 1.774,1137 0.867,1138 1.768,1139 4.796,1140 6.089,1142 7.564,1143 2.708,1144 9.124,1145 5.46,1146 10.732,1147 1.912,1152 8.386,1153 11.12,1154 5.942,1156 -1.335,1157 3.805,1159 64.787,1160 157.134,1161 373.756,1162 518.688,1163 618.93,1164 645.336,1165 648.091,1166 142.039,1167 9.062,1168 144.47,1169 144.47,1170 37,1171 13.068,1172 4.907,1173 4.17,1174 93.796,1175 407,1176 501,1177 0.104,1178 396.656,1179 710.77,1180 959.601,1181 164887,1183 38.409,1184 0.698,1185 0.568,1186 38.409,1187 31.26,1188 26.818,1189 0.447,1190 0.316,1191 18.741,1192 25.89,1193 18.359,1194 15.216,1195 26.818,1196 18.979,1197 23.561,1198 0.295,1199 0.172,1200 23.561,1201 13.792,1202 18.87,1203 0.187,1204 0.093,1205 18.87,1206 9.44,1207 15.907,1208 0.121,1209 0.051,1210 15.907,1211 6.729,1212 12.977,1213 0.077,1214 0.028,1215 12.977,1216 4.654,1217 0.171,1218 167.407,1219 0.157,1220 47.468,1221 0.264,1222 280,1223 800.944,1224 307.054,1225 770.768,1226 1042.54,1227 722,1228 321,1229 749.704,1230 347.367,1231 756.978,1232 1102.82,1233 714,1234 5.886}
{0 CHEMBL286835,1 1.719,2 23.34,3 3.874,4 15.004,5 207.075,6 8.043,7 0.404,8 4.633,9 4.755,10 4.291,11 4.181,12 5.795,13 4.147,14 5.139,15 5.302,16 4.637,17 4.553,18 6.326,19 4.486,20 5.393,21 5.587,22 4.701,23 4.68,24 6.527,25 4.612,26 5.474,27 5.68,28 4.775,29 4.707,30 6.633,31 4.629,32 5.485,33 5.683,34 4.727,35 4.703,36 6.716,37 4.638,38 5.501,39 5.713,40 4.672,41 4.701,42 6.626,43 4.621,44 5.493,45 5.7,46 4.681,47 4.655,48 6.735,49 4.582,50 5.449,51 5.667,52 4.608,53 4.626,54 6.592,55 4.549,56 0.146,57 1.453,58 18.731,59 8.355,60 22.394,61 10.221,62 0.721,63 2.262,64 39.62,65 14.722,66 63.689,67 18.347,68 0.836,69 2.714,70 51.28,71 17.356,72 105.373,73 22.087,74 0.89,75 2.84,76 61.929,77 20.177,78 123.582,79 24.814,80 1.202,81 2.855,82 57.739,83 18.56,84 152.215,85 23.226,86 0.763,87 2.836,88 59.483,89 20.458,90 108.718,91 25.957,92 1.337,93 2.753,94 60.617,95 18.982,96 174.099,97 24.277,98 0.92,99 2.614,100 60.456,101 19.839,102 123.197,103 25.063,104 67,105 77,106 0.251,107 0.609,108 0.806,109 0.889,110 0.908,111 0.908,112 3.991,113 0.987,114 -3.05,115 -3.05,116 -2.93,117 39.4,118 1,119 2,121 1,122 4,125 1,129 1,131 1,132 12,133 3,134 3,136 1,138 1,140 1,141 2,142 2,143 1,145 2,146 2,147 2,150 14,152 2,153 9,156 6,157 2,158 6,160 2,161 16,163 2,164 1,165 2,166 9,169 2,171 5,174 10,177 1,178 14,180 2,181 3,183 10,185 7,187 2,188 3,189 15,191 3,192 1,193 8,195 9,199 12,202 1,204 8,206 8,209 4,210 15,213 4,215 9,217 7,219 2,220 2,221 13,225 6,227 8,230 2,231 12,234 3,235 1,236 5,239 15,243 8631,244 35.429,245 35.429,246 35.429,247 35.429,248 35.429,249 31.621,250 44.187,251 21.403,252 36.392,253 28.199,254 28.199,255 28.199,256 28.199,257 28.199,258 22.278,259 56.3,260 10.296,261 29.685,262 4.836,263 2.381,264 1.035,265 0.463,266 0.335,267 0.335,268 4.688,273 2643,274 5.568,275 187.89,276 538.824,277 186.434,280 302.148,282 3.452,283 65.172,285 0.25,286 0.33,287 0.33,288 0.7,289 0.5,290 0.17,292 0.33,293 115.5,294 1237,295 4.559,296 4.25,297 6.875,298 4.227,299 3.257,300 4.147,301 3.272,302 11.438,303 3.159,304 4.164,305 3.906,306 6.318,307 3.805,308 2.831,309 3.791,310 2.186,311 9.383,312 2.753,313 4.134,314 3.665,315 5.955,316 3.69,317 2.763,318 3.68,319 2.062,320 8.398,321 2.644,322 4.074,323 3.573,324 5.675,325 3.663,326 2.718,327 3.662,328 1.907,329 7.971,330 2.528,331 3.905,332 3.533,333 5.584,334 3.575,335 2.602,336 3.17,337 1.653,338 7.659,339 2.482,340 3.78,341 3.197,342 5.506,343 3.428,344 2.483,345 3.07,346 0.85,347 7.373,348 2.388,349 3.66,350 2.89,351 5.143,352 3.38,353 2.38,354 2.913,355 0.488,356 6.147,357 2.306,358 3.633,359 2.823,360 5.038,361 3.217,362 2.241,363 2.83,364 0.4,365 6.098,366 2.186,367 3.585,368 2.734,369 5.027,370 3.183,371 2.227,372 2.814,373 0.366,374 6.074,375 2.105,376 3.479,377 2.626,378 4.954,379 3.072,380 2.105,381 2.701,382 0.219,383 5.752,384 2.02,385 3.192,386 2.554,387 4.746,388 2.815,389 1.836,390 2.399,391 0.149,392 5.12,393 1.793,394 3.044,395 2.196,396 4.571,397 2.666,398 1.789,399 2.189,400 0.03,401 4.686,402 1.636,403 3.042,404 2.15,405 4.338,406 2.65,407 1.684,408 2.153,410 4.342,411 1.531,412 2.917,413 2.092,414 4.164,415 2.486,416 1.55,417 2.086,419 3.351,420 1.46,421 2.667,422 1.842,423 3.93,424 2.443,425 1.463,426 1.737,428 3.302,429 1.413,430 25.433,431 0.48,432 1.294,433 0.024,434 66.75,435 1.259,436 32.5,437 0.613,438 34.25,439 0.646,440 55.326,441 1.044,442 57.367,443 0.61,444 64.453,445 1.216,446 13.066,447 0.247,448 12.483,449 0.236,450 0.123,452 0.311,454 0.832,455 1.242,456 0.767,457 0.937,458 0.67,459 0.897,460 0.555,461 1.12,462 1.003,463 1.111,464 0.49,465 1.002,466 1.117,467 1.051,468 0.984,469 0.977,470 1.043,471 0.989,472 1.159,473 1.09,474 0.921,475 0.992,476 1.145,477 0.957,478 1.26,479 0.995,480 1.038,481 0.957,482 1.223,483 0.995,484 1.138,485 1.118,486 0.97,487 1.057,488 1.088,489 1.03,490 1.214,491 0.986,492 1,493 0.981,494 1.245,495 0.995,496 1.142,497 1.034,498 0.978,499 1.024,500 1.077,501 0.939,502 11,503 0.385,504 4.444,505 4.069,506 2.822,507 1.744,508 1.288,509 0.822,510 0.798,511 0.539,512 67763,513 200417,514 2.036,515 43.6,516 3,517 24,518 2,520 8,521 2,522 2,524 1.86,525 1.904,526 4.385,527 4.272,530 161.583,531 1.719,532 4.174,533 5.52,534 6.092,535 6.219,536 6.219,537 3.909,538 5.615,539 5.69,540 4.668,541 6432.95,542 10.114,543 153809,546 616.131,547 1.409,548 5.657,549 0.193,550 0.006,551 0.058,552 0.05,553 0.034,554 0.021,555 0.016,556 0.011,557 0.011,558 0.007,559 0.407,560 0.17,561 0.38,562 0.736,563 335.321,564 -0.107,565 -0.041,566 0.041,567 0.058,568 -0.092,569 0.05,570 0.265,571 0.016,572 -0.003,573 -0.044,574 0.143,575 -0.025,576 -0.099,577 0.004,578 -0.063,579 -0.019,580 -0.108,581 -0.036,582 -0.062,583 -0.089,584 0.066,585 -0.002,586 -0.038,587 0.018,588 -0.064,589 0.039,590 -0.107,591 -0.027,592 -0.034,593 -0.063,594 -0.099,595 -0.141,596 -0.041,597 -0.099,598 -0.048,599 -0.049,600 0.044,601 -0.009,602 -0.045,603 -0.039,604 0.018,605 -0.043,606 -0.023,607 -0.088,608 0.009,609 -0.035,610 0.011,611 0.055,612 2.576,613 6.523,614 0.528,615 110.599,616 1.009,617 1.128,618 1.817,619 3.3,620 0.679,621 4.06,622 4.357,623 4.564,624 4.82,625 5.004,626 5.124,627 5.252,628 5.357,629 5.46,630 5.565,631 13.162,632 0.644,633 756.01,634 4.06,635 5.595,636 6.418,637 7.281,638 8.125,639 8.996,640 9.851,641 10.729,642 11.593,643 12.475,644 9.6,645 2,649 5,651 1,652 1,654 13,655 1,657 1,658 8,660 23,661 1,666 1,669 94,670 29,671 3,672 57,673 98,674 37,675 21,676 6,677 12,678 3,679 5,680 6,683 1,684 1,687 2,688 28,689 9,691 6,692 4,693 1,694 1,695 6,699 41,700 14,701 8,702 16,703 2,705 9,706 0.8,707 5,712 1,713 3,714 1,717 1,719 1,720 1,722 1,723 1,725 2,731 4,732 1,733 2,734 2,737 53,738 2,740 6,741 4,742 1,743 1,744 1,745 1,747 1,749 5.3,752 4,754 1,755 27.833,756 16.933,757 11.75,758 5.225,759 4.097,760 1.452,761 0.977,762 14.713,763 13.155,764 4.324,765 4.858,766 5.328,767 5.867,768 6.31,769 6.537,770 6.873,771 7.165,772 7.45,773 7.768,774 1,775 81,776 19.7,777 8.353,778 7.893,779 36.838,780 29.445,781 2.393,782 126.833,785 388.446,786 272.171,787 174.533,789 111.58,791 63.497,792 208.674,793 500.026,794 174.533,795 17.222,796 152.042,797 130.84,798 130.461,799 53.184,800 34.581,801 428.401,803 388.446,804 383.207,805 111.58,806 63.497,807 364.904,808 135.122,810 181.339,811 175.606,812 26.262,813 63.497,814 388.446,815 286.112,816 272.171,817 388.446,818 124.109,819 151.186,820 72.043,821 210.945,822 388.446,823 286.112,824 272.171,825 0.573,826 0.317,827 0.173,828 0.093,829 31,830 16,831 0.153,832 15,833 1,834 1.071,835 6.088,836 545.998,837 0.071,838 28,839 297.58,840 2,841 39.784,842 19.6,843 12.05,845 286.112,846 23.271,847 4.436,849 1.468,850 5.3,852 137.837,853 946.73,854 74.5,855 51.416,856 1.62,857 4.716,858 -1.17,859 94.843,860 106.015,861 0.262,862 0.637,863 0.842,864 0.929,865 0.949,866 0.949,867 5.556,868 2.241,869 6.389,870 6.147,871 5.043,872 5.547,873 3.931,874 7.152,875 4.951,876 6.742,877 2.227,878 7.916,879 6.098,880 4.575,881 5.263,882 2.841,883 7.949,884 4.469,885 8.029,886 2.105,887 9.542,888 6.074,889 6.589,890 7.627,891 5.751,892 11.059,893 6.416,894 9.346,895 1.836,896 11.228,897 5.752,898 6.919,899 8.123,900 4.544,901 12.725,902 6.728,903 10.692,904 1.789,905 12.954,906 5.12,907 8.4,908 9.975,909 7.923,910 15.366,911 8.157,912 12.058,913 1.684,914 14.712,915 4.686,916 9.121,917 10.858,918 6.104,919 17.434,920 8.855,921 13.442,922 1.55,923 16.493,924 4.342,925 10.382,926 12.481,927 10.222,928 19.919,929 10.077,930 3.257,931 1.463,932 18.294,933 3.351,934 11.307,935 13.578,936 7.625,937 22.178,938 10.975,939 2.831,940 11.438,941 20.112,942 3.302,943 12.479,944 15.087,945 12.566,946 24.615,947 12.115,948 2.763,949 9.383,950 21.943,951 4.147,952 13.511,953 16.306,954 9.136,955 26.964,956 13.12,957 2.718,958 8.398,959 23.787,960 3.791,961 14.655,962 17.756,963 14.926,964 29.389,965 14.235,966 2.602,967 7.971,968 25.641,969 3.68,970 15.744,971 19.047,972 10.646,973 31.781,974 15.297,975 2.483,976 7.659,977 27.505,978 3.662,979 16.883,980 20.468,981 17.293,982 34.206,983 16.41,984 2.38,985 7.373,986 29.376,987 3.17,988 18.004,989 21.802,990 12.158,991 36.618,992 17.504,993 64547,994 111241,995 37.679,996 63.802,997 84.802,998 90.772,999 86.37,1000 83.346,1001 83.441,1002 106.927,1003 27.165,1004 230.493,1005 79.501,1006 5.53,1007 6.25,1008 6.65,1009 5.368,1010 5.257,1011 7.147,1012 6.545,1013 19.056,1014 5.159,1015 30.91,1016 1.488,1017 1.592,1018 1.515,1019 1.462,1020 1.464,1021 1.876,1022 0.477,1023 4.044,1024 1.395,1025 4.052,1026 4.083,1027 4.24,1028 3.967,1029 7.439,1030 3.97,1031 3.926,1032 3.958,1033 4.007,1034 3.882,1035 7.432,1036 3.853,1037 3.881,1038 3.906,1039 3.862,1040 3.851,1041 7.427,1042 3.805,1043 3.848,1044 3.873,1045 3.833,1046 3.766,1047 7.424,1048 3.766,1049 3.754,1050 3.808,1051 3.792,1052 3.585,1053 5.283,1054 3.582,1055 3.633,1056 3.678,1057 3.617,1058 3.457,1059 4.897,1060 3.453,1061 3.57,1062 3.634,1063 3.571,1064 3.418,1065 4.787,1066 3.398,1067 3.484,1068 3.556,1069 3.425,1070 3.275,1071 4.754,1072 3.285,1073 0.08,1074 0.075,1075 0.121,1076 0.074,1077 0.057,1078 4.559,1079 0.073,1080 4.25,1081 0.057,1082 6.875,1083 0.201,1084 4.227,1085 0.055,1086 3.257,1087 4.147,1088 3.272,1089 11.438,1090 3.159,1091 1.96,1092 1.939,1093 2.046,1094 2.043,1095 1.226,1096 2.044,1097 1.914,1098 1.884,1099 2.036,1100 2.016,1101 1.169,1102 2.022,1103 1.834,1104 1.808,1105 1.949,1106 1.955,1107 1.132,1108 1.951,1109 1.711,1110 1.656,1111 1.926,1112 1.918,1113 1.108,1114 1.922,1115 1.609,1116 1.565,1117 1.758,1118 1.825,1119 1.035,1120 1.8,1121 1.58,1122 1.55,1123 1.715,1124 1.8,1125 0.855,1126 1.791,1127 1.574,1128 1.528,1129 1.708,1130 1.751,1131 0.823,1132 1.769,1133 1.431,1134 1.375,1135 1.591,1136 1.62,1137 0.709,1138 1.632,1139 4.745,1140 6.047,1141 2.398,1142 7.516,1143 4.727,1144 9.067,1145 6.843,1146 10.667,1147 3.536,1150 10.968,1152 2.856,1153 11.005,1154 5.545,1155 1.653,1156 -1.242,1157 1.454,1159 60.57,1160 161.583,1161 392.343,1162 518.847,1163 572.622,1164 584.622,1165 584.622,1166 146.705,1167 9.058,1168 206.16,1169 259.7,1170 30,1171 13.014,1172 4.907,1173 4.209,1174 100.038,1175 411,1176 506,1177 0.112,1178 382.346,1179 678.35,1180 924.684,1181 170151,1183 37.744,1184 0.712,1185 0.583,1186 38.451,1187 30.89,1188 25.55,1189 0.448,1190 0.329,1191 16.66,1192 23.63,1193 16.066,1194 13.357,1195 26.504,1196 18.755,1197 23.04,1198 0.299,1199 0.181,1200 24.116,1201 13.929,1202 17.806,1203 0.187,1204 0.101,1205 19.021,1206 9.566,1207 14.916,1208 0.121,1209 0.056,1210 16.229,1211 6.896,1212 11.401,1213 0.077,1214 0.031,1215 12.508,1216 4.569,1217 0.186,1218 169.706,1219 0.163,1220 46.497,1221 0.28,1222 268,1223 841.29,1224 339.579,1225 852.669,1226 1141.48,1227 794,1228 306,1229 794.336,1230 367.023,1231 825.345,1232 1198.15,1233 773,1234 6}
{0 CHEMBL286907,1 1.717,2 21.327,3 3.599,4 12.951,5 203.037,6 8.054,7 0.411,8 4.61,9 4.738,10 4.272,11 4.165,12 5.768,13 4.128,14 5.118,15 5.285,16 4.615,17 4.534,18 6.291,19 4.464,20 5.383,21 5.587,22 4.678,23 4.657,24 6.51,25 4.586,26 5.445,27 5.653,28 4.768,29 4.697,30 6.592,31 4.618,32 5.489,33 5.688,34 4.779,35 4.716,36 6.77,37 4.661,38 5.54,39 5.75,40 4.743,41 4.741,42 6.719,43 4.67,44 5.554,45 5.771,46 4.706,47 4.712,48 6.77,49 4.638,50 5.522,51 5.744,52 4.646,53 4.688,54 6.734,55 4.602,56 0.135,57 1.456,58 18.264,59 8.023,60 22.208,61 9.962,62 0.621,63 2.278,64 38.784,65 14.205,66 59.3,67 17.96,68 0.893,69 2.707,70 50.401,71 16.598,72 111.15,73 21.673,74 0.795,75 2.815,76 59.886,77 19.49,78 114.969,79 24.254,80 1.21,81 2.92,82 57.652,83 18.151,84 172.907,85 23.262,86 0.892,87 2.99,88 59.953,89 20.402,90 127.613,91 26.156,92 1.134,93 2.968,94 64.104,95 19.598,96 177.71,97 25.294,98 1.211,99 2.829,100 64.54,101 20.679,102 174.611,103 26.381,104 52,105 75,106 0.252,107 0.596,108 0.773,109 0.86,110 0.893,111 0.897,112 3.972,113 0.993,114 -4.09,115 -4.03,116 -3.82,117 39.1,118 1,119 2,122 5,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 16,152 2,153 7,155 2,156 7,157 2,158 4,160 2,161 17,164 1,165 3,166 7,169 3,171 5,174 11,177 1,178 11,180 2,181 3,183 8,185 8,187 2,188 3,189 15,191 4,192 1,193 8,195 9,198 1,199 14,202 3,203 1,204 10,206 8,209 1,210 16,213 1,215 10,217 6,219 2,220 3,221 16,223 4,224 1,225 8,227 9,231 10,236 4,239 17,243 8486,244 34.982,245 34.982,246 34.982,247 34.982,248 34.982,249 31.146,250 43.38,251 21.326,252 35.882,253 27.736,254 27.736,255 27.736,256 27.736,257 27.736,258 21.867,259 57.444,260 10.276,261 29.144,262 4.807,263 2.456,264 1.246,265 0.65,266 0.429,267 0.4,268 4.671,273 2375,274 5.523,275 182.507,276 513.944,277 186.474,280 300.921,282 2.981,283 65.444,285 0.25,286 0.33,287 0.33,288 0.7,289 0.5,290 0.17,292 0.33,293 113,294 1109,295 4.562,296 4.25,297 6.911,298 4.241,299 3.274,300 4.137,301 3.272,302 11.616,303 3.168,304 4.164,305 3.934,306 6.361,307 3.795,308 2.814,309 3.791,310 2.072,311 9.599,312 2.754,313 4.092,314 3.589,315 5.951,316 3.688,317 2.763,318 3.662,319 1.946,320 8.376,321 2.644,322 4.065,323 3.572,324 5.675,325 3.645,326 2.715,327 3.539,328 1.907,329 7.971,330 2.494,331 3.88,332 3.515,333 5.58,334 3.536,335 2.561,336 3.187,337 1.653,338 7.643,339 2.44,340 3.679,341 3.188,342 5.292,343 3.398,344 2.395,345 2.913,346 1.2,347 6.546,348 2.392,349 3.65,350 3.022,351 5.04,352 3.327,353 2.325,354 2.895,355 0.854,356 6.103,357 2.318,358 3.633,359 2.804,360 5.028,361 3.202,362 2.241,363 2.828,364 0.52,365 6.076,366 2.182,367 3.556,368 2.752,369 4.998,370 3.15,371 2.205,372 2.762,373 0.222,374 5.942,375 2.028,376 3.386,377 2.73,378 4.912,379 2.956,380 1.986,381 2.657,382 0.149,383 5.541,384 1.919,385 3.181,386 2.279,387 4.592,388 2.77,389 1.79,390 2.387,391 0.148,392 4.79,393 1.758,394 3.044,395 2.259,396 4.338,397 2.642,398 1.775,399 2.153,400 0.129,401 4.342,402 1.543,403 2.956,404 2.138,405 4.234,406 2.551,407 1.576,408 2.113,409 0.029,410 3.618,411 1.509,412 2.776,413 1.933,414 4.01,415 2.473,416 1.535,417 1.896,419 3.309,420 1.429,421 2.661,422 1.754,423 3.717,424 2.319,425 1.345,426 1.733,428 3.098,429 1.317,430 25,431 0.481,432 1.188,433 0.023,434 66.25,435 1.274,436 32.5,437 0.625,438 33.75,439 0.649,440 54.557,441 1.049,442 56,443 0.609,444 63.469,445 1.221,446 12.878,447 0.248,448 12.278,449 0.236,450 0.105,452 0.296,454 0.819,455 1.258,456 0.767,457 0.925,458 0.66,459 0.893,460 0.541,461 1.136,462 1.02,463 1.162,464 0.513,465 1.044,466 1.107,467 0.991,468 0.937,469 0.906,470 1.104,471 0.957,472 1.117,473 1.092,474 0.901,475 0.993,476 1.136,477 0.947,478 1.183,479 1.027,480 0.975,481 0.959,482 1.151,483 0.965,484 1.193,485 1.086,486 0.934,487 1.016,488 1.221,489 1.022,490 1.42,491 1.032,492 1.016,493 0.971,494 1.422,495 0.992,496 1.182,497 0.914,498 1.02,499 0.977,500 1.267,501 0.962,502 10,503 0.389,504 4.222,505 3.757,506 2.751,507 1.931,508 1.299,509 0.921,510 0.654,511 0.514,512 60602,513 179914,514 2.048,515 43.5,516 3,517 23,518 2,520 8,521 2,522 2,524 1.859,525 1.926,526 4.235,527 4.301,530 157.954,531 1.717,532 4.067,533 5.278,534 5.874,535 6.094,536 6.124,537 3.705,538 5.547,539 5.661,540 4.531,541 6008.34,542 10.078,543 136827,546 600.168,547 1.365,548 5.635,549 0.179,550 0.005,551 0.056,552 0.048,553 0.033,554 0.022,555 0.015,556 0.012,557 0.008,558 0.007,559 0.386,560 0.17,561 0.38,562 0.718,563 324.024,564 -0.113,565 -0.054,566 0.04,567 0.066,568 -0.086,569 0.052,570 0.248,571 0.006,572 -0.022,573 -0.097,574 0.112,575 -0.068,576 -0.062,577 0.054,578 -0.039,579 0.022,580 -0.117,581 -0.012,582 -0.037,583 -0.088,584 0.082,585 0.001,586 -0.032,587 0.03,588 0.038,589 0.007,590 -0.053,591 -0.034,592 0.079,593 -0.035,594 -0.054,595 -0.104,596 -0.04,597 -0.092,598 -0.038,599 -0.063,600 -0.149,601 -0.059,602 -0.077,603 -0.044,604 -0.064,605 -0.043,606 0.025,607 0.037,608 -0.047,609 -0.012,610 0.033,611 0.015,612 2.661,613 7.073,614 0.538,615 102.383,616 1.008,617 1.129,618 2.858,619 8.166,620 0.68,621 4.043,622 4.331,623 4.543,624 4.812,625 5.017,626 5.136,627 5.273,628 5.384,629 5.481,630 5.572,631 12.098,632 0.645,633 741,634 4.043,635 5.572,636 6.395,637 7.258,638 8.104,639 8.977,640 9.837,641 10.717,642 11.587,643 12.472,644 10.9,645 2,649 5,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 92,670 29,671 3,672 56,673 96,674 36,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,684 1,687 2,688 27,689 9,691 6,692 4,694 2,695 6,699 40,700 14,701 8,702 16,703 2,705 10,706 0.8,707 4,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 1,737 52,738 2,740 7,741 4,743 1,744 1,745 1,747 1,749 4.3,752 4,755 27,756 16.217,757 11.583,758 5.156,759 3.389,760 1.388,761 0.98,762 14.476,763 12.121,764 4.311,765 4.834,766 5.301,767 5.837,768 6.283,769 6.483,770 6.817,771 7.096,772 7.374,773 7.664,774 0.929,775 79,776 19.375,777 8.253,778 7.888,779 36.216,780 29.03,781 2.388,782 124.167,785 376.675,786 257.722,787 191.318,789 100.58,791 63.497,792 194.224,793 477.255,794 191.318,795 8.825,796 154.147,797 130.84,798 134.236,799 51.899,800 29.717,801 416.63,803 376.675,804 385.543,805 100.58,806 63.497,807 353.133,808 124.122,810 199.801,811 168.956,812 16.786,813 63.497,814 376.675,815 291.898,816 257.722,817 376.675,818 118.056,819 142.79,820 72.043,821 216.731,822 376.675,823 291.898,824 257.722,825 0.569,826 0.314,827 0.175,828 0.097,829 30,830 15,831 0.156,832 15,833 1,834 1.071,835 5.937,836 541.987,837 0.071,838 28,839 288.423,840 2,841 38.782,842 19.411,843 11.793,845 291.898,846 25.689,847 4.333,849 1.356,850 4.746,852 137.837,853 926.295,854 73.5,855 52.798,857 8.669,858 -1.281,859 92.734,860 103.889,861 0.263,862 0.623,863 0.809,864 0.9,865 0.934,866 0.939,867 5.536,868 2.241,869 6.358,870 6.103,871 5.017,872 5.523,873 3.935,874 7.12,875 4.93,876 6.716,877 2.205,878 7.881,879 6.076,880 4.511,881 5.19,882 2.831,883 7.926,884 4.417,885 7.997,886 1.986,887 9.505,888 5.942,889 6.555,890 7.589,891 5.721,892 11.05,893 6.392,894 9.31,895 1.79,896 11.193,897 5.541,898 6.868,899 8.052,900 4.41,901 12.754,902 6.692,903 10.652,904 1.775,905 12.924,906 4.79,907 8.367,908 9.926,909 7.9,910 15.406,911 8.137,912 12.017,913 1.576,914 14.688,915 4.342,916 9.085,917 10.786,918 5.857,919 17.514,920 8.833,921 13.399,922 1.535,923 16.478,924 3.618,925 10.358,926 12.424,927 10.209,928 20.012,929 10.064,930 3.274,931 1.345,932 18.288,933 3.309,934 11.287,935 13.505,936 7.267,937 22.303,938 10.966,939 2.814,940 11.616,941 20.115,942 3.098,943 12.469,944 15.023,945 12.56,946 24.755,947 12.113,948 2.763,949 9.599,950 21.957,951 4.137,952 13.509,953 16.233,954 8.664,955 27.129,956 13.123,957 2.715,958 8.376,959 23.811,960 3.791,961 14.662,962 17.688,963 14.923,964 29.569,965 14.244,966 2.561,967 7.971,968 25.675,969 3.662,970 15.76,971 18.974,972 10.059,973 31.981,974 15.312,975 2.395,976 7.643,977 27.548,978 3.539,979 16.908,980 20.398,981 17.292,982 34.422,983 16.43,984 2.325,985 6.546,986 29.429,987 3.187,988 18.039,989 21.729,990 11.456,991 36.852,992 17.529,993 57705,994 99674,995 37.274,996 62.591,997 83.287,998 88.474,999 84.344,1000 81.775,1001 81.855,1002 105.195,1003 28.205,1004 224.448,1005 78.225,1006 5.548,1007 6.25,1008 6.713,1009 5.384,1010 5.274,1011 7.137,1012 6.545,1013 19.23,1014 5.168,1015 28.264,1016 1.487,1017 1.58,1018 1.506,1019 1.46,1020 1.462,1021 1.878,1022 0.504,1023 4.008,1024 1.397,1025 4.053,1026 4.086,1027 4.235,1028 3.967,1029 7.438,1030 3.97,1031 3.925,1032 3.958,1033 4.006,1034 3.861,1035 7.428,1036 3.852,1037 3.864,1038 3.893,1039 3.862,1040 3.841,1041 7.427,1042 3.772,1043 3.835,1044 3.869,1045 3.832,1046 3.766,1047 7.422,1048 3.761,1049 3.762,1050 3.815,1051 3.765,1052 3.591,1053 5.336,1054 3.591,1055 3.645,1056 3.69,1057 3.636,1058 3.461,1059 4.877,1060 3.47,1061 3.587,1062 3.647,1063 3.571,1064 3.416,1065 4.804,1066 3.387,1067 3.477,1068 3.552,1069 3.475,1070 3.277,1071 4.754,1072 3.286,1073 0.081,1074 0.076,1075 0.123,1076 0.076,1077 0.058,1078 4.562,1079 0.074,1080 4.25,1081 0.058,1082 6.911,1083 0.207,1084 4.241,1085 0.057,1086 3.274,1087 4.137,1088 3.272,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.057,1094 2.042,1095 1.23,1096 2.048,1097 1.914,1098 1.884,1099 2.037,1100 2.018,1101 1.173,1102 2.022,1103 1.84,1104 1.81,1105 1.963,1106 1.964,1107 1.132,1108 1.962,1109 1.718,1110 1.664,1111 1.931,1112 1.916,1113 1.108,1114 1.923,1115 1.609,1116 1.568,1117 1.764,1118 1.827,1119 1.047,1120 1.814,1121 1.574,1122 1.532,1123 1.708,1124 1.776,1125 0.877,1126 1.774,1127 1.459,1128 1.409,1129 1.615,1130 1.756,1131 0.853,1132 1.724,1133 1.447,1134 1.394,1135 1.582,1136 1.649,1137 0.712,1138 1.656,1139 4.727,1140 6.023,1141 2.398,1142 7.488,1143 4.727,1144 9.038,1145 6.843,1146 10.639,1147 1.907,1150 10.763,1152 2.4,1153 11.159,1155 1.623,1156 -1.328,1157 1.333,1159 59.349,1160 157.954,1161 374.191,1162 485.533,1163 540.393,1164 560.658,1165 563.413,1166 146.729,1167 8.732,1168 209.29,1169 262.83,1170 30,1171 13.008,1172 4.907,1173 4.209,1174 96.714,1175 359,1176 486,1177 0.121,1178 375.552,1179 663.26,1180 908.106,1181 101935,1183 36.873,1184 0.709,1185 0.58,1186 37.581,1187 30.136,1188 25.156,1189 0.449,1190 0.331,1191 16.451,1192 23.316,1193 15.904,1194 13.195,1195 26.11,1196 18.528,1197 22.45,1198 0.299,1199 0.181,1200 23.526,1201 13.612,1202 17.292,1203 0.186,1204 0.101,1205 18.506,1206 9.362,1207 14.627,1208 0.12,1209 0.056,1210 15.94,1211 6.814,1212 11.509,1213 0.077,1214 0.031,1215 12.615,1216 4.594,1217 0.199,1218 166.85,1219 0.164,1220 45.388,1221 0.309,1222 262,1223 809.199,1224 332.15,1225 826.643,1226 1106.11,1227 770,1228 299,1229 765.232,1230 358.616,1231 797.333,1232 1158.2,1233 748,1234 6.143}
{0 CHEMBL286908,1 1.732,2 20.471,3 3.278,4 10.743,5 198.282,6 8.168,7 0.418,8 4.581,9 4.707,10 4.255,11 4.137,12 5.752,13 4.103,14 5.083,15 5.248,16 4.601,17 4.505,18 6.273,19 4.439,20 5.344,21 5.543,22 4.665,23 4.628,24 6.492,25 4.562,26 5.408,27 5.61,28 4.759,29 4.671,30 6.583,31 4.595,32 5.455,33 5.651,34 4.764,35 4.69,36 6.743,37 4.639,38 5.511,39 5.718,40 4.746,41 4.713,42 6.747,43 4.648,44 5.519,45 5.73,46 4.683,47 4.682,48 6.717,49 4.614,50 5.485,51 5.703,52 4.638,53 4.658,54 6.718,55 4.58,56 0.146,57 1.417,58 17.241,59 7.684,60 22.602,61 9.396,62 0.624,63 2.214,64 36.982,65 13.609,66 57.922,67 16.976,68 0.897,69 2.627,70 47.597,71 15.782,72 110.083,73 20.237,74 0.852,75 2.733,76 57.142,77 18.87,78 116.597,79 23.106,80 1.139,81 2.842,82 55.015,83 17.468,84 164.375,85 22.052,86 1.004,87 2.92,88 57.67,89 19.684,90 146.588,91 25.127,92 1.13,93 2.887,94 61.435,95 18.635,96 158.518,97 23.534,98 1.108,99 2.731,100 60.586,101 20.038,102 168.709,103 25.194,104 52,105 74,106 0.255,107 0.598,108 0.768,109 0.858,110 0.892,111 0.896,112 3.954,113 0.983,114 -3.91,115 -3.86,116 -3.67,117 39.3,118 1,119 1,122 5,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 15,152 2,153 7,155 2,156 7,157 2,158 4,160 2,161 17,164 1,165 3,166 6,169 3,171 3,174 11,177 1,178 11,180 2,181 4,182 1,183 8,185 8,187 2,188 3,189 14,191 3,193 8,195 9,198 2,199 13,202 4,203 1,204 10,206 7,209 1,210 16,213 1,215 11,217 6,219 2,220 2,221 15,223 3,224 1,225 7,227 7,230 1,231 11,234 1,236 5,239 15,243 7981,244 34.275,245 34.275,246 34.275,247 34.275,248 34.275,249 30.439,250 41.548,251 20.826,252 35.175,253 27.236,254 27.236,255 27.236,256 27.236,257 27.236,258 21.367,259 54.398,260 10.029,261 28.641,262 4.743,263 2.415,264 1.266,265 0.649,266 0.421,267 0.391,268 4.652,273 2237,274 5.431,275 176.288,276 499.117,277 180.45,280 291.537,282 2.893,283 65.142,285 0.25,286 0.33,287 0.33,288 0.5,289 0.5,290 0.17,292 0.3,293 111,294 1044,295 4.562,296 4.25,297 6.911,298 4.241,299 3.274,300 4.137,301 3.272,302 11.616,303 3.168,304 4.164,305 3.934,306 6.361,307 3.795,308 2.814,309 3.791,310 2.072,311 9.599,312 2.754,313 4.092,314 3.598,315 5.951,316 3.688,317 2.763,318 3.662,319 1.946,320 8.376,321 2.644,322 4.065,323 3.565,324 5.675,325 3.645,326 2.715,327 3.539,328 1.907,329 7.971,330 2.494,331 3.88,332 3.513,333 5.58,334 3.536,335 2.562,336 3.187,337 1.653,338 7.643,339 2.44,340 3.695,341 3.188,342 5.293,343 3.412,344 2.412,345 2.913,346 1.2,347 6.552,348 2.402,349 3.638,350 3.022,351 5.053,352 3.303,353 2.301,354 2.901,355 0.854,356 6.118,357 2.296,358 3.63,359 2.804,360 5.029,361 3.198,362 2.241,363 2.828,364 0.52,365 6.08,366 2.179,367 3.55,368 2.752,369 4.987,370 3.15,371 2.199,372 2.754,373 0.222,374 5.919,375 2.028,376 3.384,377 2.73,378 4.904,379 2.952,380 1.981,381 2.653,382 0.149,383 5.527,384 1.916,385 3.181,386 2.279,387 4.592,388 2.77,389 1.787,390 2.387,391 0.148,392 4.79,393 1.758,394 3.044,395 2.259,396 4.338,397 2.639,398 1.775,399 2.153,400 0.129,401 4.342,402 1.533,403 2.956,404 2.138,405 4.233,406 2.543,407 1.559,408 2.112,409 0.029,410 3.607,411 1.504,412 2.776,413 1.932,414 4.01,415 2.431,416 1.521,417 1.896,419 3.271,420 1.365,421 2.661,422 1.712,423 3.698,424 2.317,425 1.318,426 1.733,428 3.096,429 1.316,430 24.5,431 0.48,432 1.188,433 0.023,434 65.75,435 1.289,436 32.5,437 0.637,438 33.25,439 0.652,440 52.464,441 1.029,442 54.7,443 0.615,444 63.253,445 1.24,446 12.878,447 0.253,448 11.778,449 0.231,450 0.107,452 0.302,454 0.823,455 1.252,456 0.76,457 0.912,458 0.663,459 0.878,460 0.545,461 1.128,462 1.02,463 1.155,464 0.518,465 1.032,466 1.127,467 0.994,468 0.948,469 0.907,470 1.124,471 0.96,472 1.08,473 1.075,474 0.903,475 0.999,476 1.131,477 0.958,478 1.191,479 1.06,480 0.971,481 0.969,482 1.124,483 0.964,484 1.084,485 1.079,486 0.908,487 1.01,488 1.091,489 1.013,490 1.527,491 1.019,492 1.057,493 0.982,494 1.583,495 1.011,496 1.193,497 0.955,498 0.971,499 0.969,500 1.266,501 0.958,502 10,503 0.347,504 4.222,505 3.757,506 2.671,507 2.042,508 1.218,509 0.921,510 0.703,511 0.55,512 56213,513 168903,514 2.049,515 42.7,516 3,517 23,518 2,520 8,521 2,524 1.856,525 1.925,526 4.18,527 4.332,530 154.175,531 1.732,532 4.061,533 5.21,534 5.827,535 6.054,536 6.085,537 3.677,538 5.516,539 5.632,540 4.472,541 5701.88,542 10.028,543 126193,546 576.34,547 1.376,548 5.606,549 0.182,550 0.005,551 0.057,552 0.048,553 0.033,554 0.024,555 0.014,556 0.012,557 0.009,558 0.007,559 0.391,560 0.17,561 0.38,562 0.727,563 314.898,564 -0.119,565 -0.054,566 0.038,567 0.068,568 -0.092,569 0.054,570 0.244,571 0.014,572 -0.025,573 -0.094,574 0.107,575 -0.064,576 -0.077,577 0.055,578 -0.055,579 0.018,580 -0.13,581 -0.022,583 -0.07,584 0.077,585 -0.004,586 -0.022,587 0.017,588 0.001,589 -0.028,590 -0.055,591 -0.044,592 0.071,593 -0.035,594 0.039,595 -0.097,596 -0.016,597 -0.09,598 0.061,599 -0.055,600 -0.229,601 -0.044,602 -0.12,603 -0.058,604 -0.186,605 -0.069,606 0.002,607 -0.016,608 -0.024,609 -0.016,610 0.039,611 0.021,612 2.676,613 7.061,614 0.549,615 97.263,616 1.01,617 1.129,618 2.679,619 7.175,620 0.683,621 4.025,622 4.317,623 4.533,624 4.804,625 5.011,626 5.136,627 5.263,628 5.384,629 5.485,630 5.572,631 11.623,632 0.65,633 726.97,634 4.025,635 5.557,636 6.382,637 7.246,638 8.094,639 8.969,640 9.83,641 10.711,642 11.582,643 12.469,644 11.2,645 2,649 5,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 89,670 29,671 3,672 55,673 93,674 35,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,684 1,687 1,688 27,689 8,691 6,692 4,694 2,695 6,699 38,700 14,701 8,702 16,703 2,705 10,706 0.8,707 4,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 1,737 51,738 2,740 6,741 4,743 1,744 1,745 1,747 1,749 4.5,752 4,755 26.5,756 15.717,757 11.333,758 4.906,759 3.404,760 1.391,761 0.983,762 13.858,763 12.112,764 4.297,765 4.826,766 5.296,767 5.834,768 6.281,769 6.487,770 6.812,771 7.097,772 7.378,773 7.666,774 1,775 78,776 19,777 8.117,778 7.905,779 35.399,780 28.364,781 2.405,782 122.667,785 353.133,786 255.187,787 191.318,789 100.58,791 63.497,792 191.69,793 453.713,794 191.318,795 8.825,796 151.613,797 130.84,798 134.236,799 51.899,800 29.717,801 393.088,803 353.133,804 383.008,805 100.58,806 63.497,807 353.133,808 100.58,810 197.266,811 168.956,812 16.786,813 63.497,814 353.133,815 291.898,816 255.187,817 353.133,818 115.522,819 142.79,820 72.043,821 216.731,822 353.133,823 291.898,824 255.187,825 0.571,826 0.315,827 0.176,828 0.097,829 30,830 15,831 0.151,832 14,833 1,834 1.071,835 5.827,836 532.648,837 0.071,838 28,839 281.294,840 2,841 37.805,842 18.695,843 11.275,845 291.898,846 25.579,847 4.327,849 1.346,850 4.666,852 137.837,853 900.218,854 72.5,855 52.815,857 8.654,858 -1.48,859 89.85,860 100.473,861 0.268,862 0.627,863 0.805,864 0.9,865 0.935,866 0.94,867 5.524,868 2.241,869 6.347,870 6.118,871 5.004,872 5.515,873 3.935,874 7.114,875 4.916,876 6.708,877 2.199,878 7.874,879 6.08,880 4.511,881 5.19,882 2.831,883 7.926,884 4.417,885 7.991,886 1.981,887 9.5,888 5.919,889 6.547,890 7.586,891 5.721,892 11.048,893 6.382,894 9.305,895 1.787,896 11.189,897 5.527,898 6.868,899 8.052,900 4.41,901 12.754,902 6.692,903 10.649,904 1.775,905 12.922,906 4.79,907 8.362,908 9.925,909 7.9,910 15.406,911 8.131,912 12.014,913 1.559,914 14.687,915 4.342,916 9.085,917 10.786,918 5.857,919 17.514,920 8.833,921 13.398,922 1.521,923 16.477,924 3.607,925 10.355,926 12.424,927 10.209,928 20.012,929 10.06,930 3.274,931 1.318,932 18.287,933 3.271,934 11.287,935 13.505,936 7.267,937 22.303,938 10.966,939 2.814,940 11.616,941 20.115,942 3.096,943 12.468,944 15.023,945 12.56,946 24.755,947 12.111,948 2.763,949 9.599,950 21.957,951 4.137,952 13.509,953 16.233,954 8.664,955 27.129,956 13.123,957 2.715,958 8.376,959 23.811,960 3.791,961 14.661,962 17.688,963 14.923,964 29.569,965 14.243,966 2.562,967 7.971,968 25.675,969 3.662,970 15.76,971 18.974,972 10.059,973 31.981,974 15.312,975 2.412,976 7.643,977 27.548,978 3.539,979 16.908,980 20.398,981 17.292,982 34.422,983 16.429,984 2.301,985 6.552,986 29.429,987 3.187,988 18.039,989 21.729,990 11.456,991 36.852,992 17.529,993 53524,994 93031,995 36.58,996 60.83,997 82.114,998 87.174,999 83.084,1000 80.423,1001 80.524,1002 103.868,1003 28.205,1004 221.747,1005 76.899,1006 5.547,1007 6.25,1008 6.713,1009 5.384,1010 5.274,1011 7.137,1012 6.545,1013 19.23,1014 5.168,1015 27.793,1016 1.493,1017 1.585,1018 1.511,1019 1.462,1020 1.464,1021 1.889,1022 0.513,1023 4.032,1024 1.398,1025 4.052,1026 4.085,1027 4.235,1028 3.967,1029 7.438,1030 3.97,1031 3.925,1032 3.958,1033 4.006,1034 3.861,1035 7.428,1036 3.852,1037 3.863,1038 3.892,1039 3.861,1040 3.841,1041 7.427,1042 3.771,1043 3.835,1044 3.868,1045 3.832,1046 3.766,1047 7.422,1048 3.761,1049 3.746,1050 3.798,1051 3.765,1052 3.559,1053 5.336,1054 3.564,1055 3.639,1056 3.684,1057 3.629,1058 3.452,1059 4.877,1060 3.463,1061 3.565,1062 3.625,1063 3.567,1064 3.393,1065 4.804,1066 3.367,1067 3.461,1068 3.544,1069 3.442,1070 3.242,1071 4.754,1072 3.253,1073 0.083,1074 0.077,1075 0.126,1076 0.077,1077 0.06,1078 4.562,1079 0.075,1080 4.25,1081 0.059,1082 6.911,1083 0.211,1084 4.241,1085 0.058,1086 3.274,1087 4.137,1088 3.272,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.057,1094 2.042,1095 1.176,1096 2.048,1097 1.914,1098 1.884,1099 2.037,1100 2.018,1101 1.142,1102 2.022,1103 1.84,1104 1.809,1105 1.962,1106 1.962,1107 1.132,1108 1.958,1109 1.686,1110 1.635,1111 1.877,1112 1.9,1113 1.075,1114 1.901,1115 1.603,1116 1.563,1117 1.748,1118 1.823,1119 1.04,1120 1.807,1121 1.555,1122 1.513,1123 1.691,1124 1.771,1125 0.869,1126 1.755,1127 1.456,1128 1.406,1129 1.608,1130 1.736,1131 0.847,1132 1.72,1133 1.429,1134 1.374,1135 1.567,1136 1.629,1137 0.697,1138 1.636,1139 4.71,1140 6.009,1141 2.398,1142 7.477,1143 4.727,1144 9.029,1145 6.843,1146 10.633,1147 1.903,1150 10.761,1152 1.517,1153 11.015,1155 1.6,1156 -1.343,1157 1.307,1159 57.823,1160 154.175,1161 361.422,1162 463.705,1163 518.566,1164 538.831,1165 541.585,1166 142.037,1167 8.707,1168 209.29,1169 262.83,1170 30,1171 13.004,1172 4.907,1173 4.209,1174 93.652,1175 337,1176 461,1177 0.125,1178 365.959,1179 645.96,1180 884.701,1181 96857,1183 36.166,1184 0.709,1185 0.577,1186 36.873,1187 29.429,1188 24.656,1189 0.448,1190 0.328,1191 15.951,1192 22.816,1193 15.414,1194 12.779,1195 25.61,1196 18.028,1197 22.097,1198 0.299,1199 0.179,1200 23.172,1201 13.258,1202 17.042,1203 0.185,1204 0.099,1205 18.256,1206 9.134,1207 14.456,1208 0.119,1209 0.055,1210 15.77,1211 6.653,1212 11.335,1213 0.076,1214 0.03,1215 12.442,1216 4.479,1217 0.204,1218 163.85,1219 0.165,1220 44.541,1221 0.322,1222 258,1223 805.199,1224 328.15,1225 822.482,1226 1100.35,1227 766,1228 295,1229 761.232,1230 354.616,1231 793.173,1232 1152.48,1233 744,1234 6.409}
{0 CHEMBL287295,1 1.526,2 25.035,3 6.249,4 39.055,5 218.746,6 7.167,7 0.387,8 4.761,9 4.885,10 4.286,11 4.269,12 5.834,13 4.249,14 5.316,15 5.498,16 4.627,17 4.656,18 6.396,19 4.605,20 5.611,21 5.828,22 4.719,23 4.825,24 6.627,25 4.751,26 5.669,27 5.9,28 4.723,29 4.815,30 6.722,31 4.742,32 5.653,33 5.87,34 4.739,35 4.831,36 6.787,37 4.76,38 5.665,39 5.887,40 4.731,41 4.832,42 6.745,43 4.755,44 5.68,45 5.908,46 4.698,47 4.789,48 6.817,49 4.712,50 5.609,51 5.839,52 4.638,53 4.73,54 6.68,55 4.658,56 0.046,57 1.573,58 23.113,59 9.754,60 12.807,61 13.154,62 0.721,63 2.513,64 44.087,65 16.08,66 65.279,67 22.582,68 0.762,69 3.126,70 62.154,71 21.341,72 98.002,73 30.08,74 0.861,75 3.196,76 67.44,77 21.925,78 120.53,79 31.247,80 1.15,81 3.18,82 65.923,83 21.643,84 152.447,85 30.4,86 0.686,87 3.19,88 66.15,89 22.659,90 114.864,91 31.968,92 1.279,93 3.121,94 69.121,95 22.106,96 173.779,97 31.159,98 0.83,99 2.912,100 64.03,101 20.888,102 119.641,103 29.328,104 37,105 83,106 0.217,107 0.524,108 0.739,109 0.871,110 0.902,111 0.902,112 4.062,113 0.947,114 -4.54,115 -4.46,116 -4.2,117 40.7,118 1,119 6,121 1,122 6,125 1,132 16,133 4,134 4,140 1,141 2,142 2,150 20,152 2,153 13,156 6,157 1,158 5,161 20,165 2,166 13,169 2,171 4,174 12,177 1,178 17,181 2,183 8,185 11,188 4,189 15,191 3,192 1,193 8,195 15,198 1,199 13,204 10,206 12,209 4,210 19,213 4,215 9,217 10,220 1,221 15,225 5,227 11,230 2,231 14,234 5,235 1,236 5,239 20,243 10301,244 38.705,245 38.705,246 38.705,247 38.705,248 38.705,249 35.079,250 52.445,251 23.551,252 39.387,253 30.699,254 30.699,255 30.699,256 30.699,257 30.699,258 25.011,259 70.144,260 11.344,261 31.737,262 5.228,263 3.074,264 1.566,265 0.64,266 0.421,267 0.421,268 4.769,273 3097,274 5.339,276 1045.9,277 203.827,280 329.488,282 3.612,283 63.515,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 123.5,294 1427,295 4.559,296 3.906,297 6.875,298 4.227,299 3.257,300 4.147,301 2.186,302 11.438,303 3.159,304 4.134,305 3.665,306 6.318,307 3.805,308 2.831,309 3.68,310 2.062,311 9.383,312 2.753,313 4.086,314 3.574,315 5.955,316 3.72,317 2.755,318 3.676,319 1.907,320 8.398,321 2.663,322 4.074,323 3.533,324 5.684,325 3.69,326 2.718,327 3.662,328 1.653,329 8.011,330 2.644,331 3.905,332 3.197,333 5.584,334 3.575,335 2.602,336 3.17,337 0.916,338 7.659,339 2.528,340 3.78,341 3.06,342 5.506,343 3.428,344 2.483,345 3.07,346 0.86,347 7.373,348 2.39,349 3.659,350 2.823,351 5.327,352 3.395,353 2.462,354 2.831,355 0.85,356 6.945,357 2.307,358 3.585,359 2.823,360 5.143,361 3.377,362 2.378,363 2.814,364 0.488,365 6.146,366 2.288,367 3.564,368 2.734,369 5.035,370 3.217,371 2.227,372 2.713,373 0.366,374 6.089,375 2.186,376 3.479,377 2.626,378 4.954,379 3.073,380 2.105,381 2.701,382 0.219,383 5.752,384 2.021,385 3.238,386 2.33,387 4.851,388 2.969,389 2.014,390 2.399,391 0.172,392 5.573,393 1.913,394 3.192,395 2.15,396 4.746,397 2.815,398 1.835,399 2.346,400 0.149,401 5.12,402 1.793,403 3.043,404 2.092,405 4.571,406 2.663,407 1.686,408 2.189,409 0.03,410 4.686,411 1.637,412 2.917,413 1.842,414 4.164,415 2.586,416 1.61,417 2.086,419 3.368,420 1.565,421 2.723,422 1.833,423 3.93,424 2.457,425 1.468,426 1.789,428 3.33,429 1.45,430 26.8,431 0.47,432 1.218,433 0.021,434 70.5,435 1.237,436 33.5,437 0.588,438 37,439 0.649,440 59.829,441 1.05,442 62.6,443 0.58,444 69.803,445 1.225,446 14.036,447 0.246,448 13.676,449 0.24,450 0.087,452 0.291,454 0.769,455 1.401,456 0.825,457 1.163,458 0.564,459 1.02,460 0.702,461 1.1,462 0.924,463 1.042,464 0.509,465 1.015,466 1.061,467 1.077,468 0.994,469 1.016,470 0.919,471 0.996,472 1.168,473 1.056,474 0.965,475 0.964,476 1.126,477 0.935,478 1.163,479 0.986,480 1.044,481 0.966,482 1.191,483 0.981,484 1.072,485 1.171,486 0.968,487 1.097,488 1.126,489 1.028,490 1.197,491 0.976,492 1.023,493 0.967,494 1.125,495 0.968,496 1.271,497 1.037,498 0.967,499 0.97,500 1.141,501 0.928,502 10.5,503 0.385,504 4.444,505 3.938,506 2.91,507 1.608,508 1.371,509 0.833,510 0.789,511 0.52,512 88347,513 211164,514 2.083,515 47.2,516 5,517 31,518 1,520 4,521 2,522 6,523 2,524 1.875,525 1.977,526 4.495,527 1.219,530 164.858,531 1.526,532 3.681,533 5.189,534 6.115,535 6.334,536 6.334,537 3.965,538 5.693,539 5.8,540 4.773,541 7617.57,542 10.321,543 196408,546 729.528,547 1.288,548 5.776,549 0.169,550 0.005,551 0.054,552 0.044,553 0.033,554 0.018,555 0.016,556 0.01,557 0.01,558 0.007,559 0.366,561 0.5,562 0.444,563 369.46,564 -0.039,565 -0.162,566 0.049,567 -0.055,568 -0.028,569 0.002,570 0.193,571 0.05,572 0.015,573 -0.017,574 0.122,575 -0.03,576 -0.047,577 -0.029,578 -0.014,579 -0.019,580 -0.034,581 -0.014,582 -0.059,583 -0.045,584 0.04,585 0.01,586 -0.023,587 0.036,588 0.01,589 0.052,590 -0.04,591 0.011,592 0.009,593 -0.018,594 -0.025,595 -0.162,596 0.02,597 -0.098,598 -0.006,599 -0.04,600 0.057,601 0.015,602 0.002,603 -0.002,604 0.071,605 -0.008,606 -0.069,607 -0.059,608 0.05,609 0.008,610 -0.002,611 0.044,612 2.572,613 6.559,614 0.614,615 120.823,616 1.001,617 1.129,618 3.306,619 10.928,620 0.653,621 4.143,622 4.431,623 4.654,624 4.905,625 5.124,626 5.209,627 5.342,628 5.472,629 5.565,630 5.659,631 14.235,632 0.621,633 774.02,634 4.143,635 5.673,636 6.5,637 7.358,638 8.202,639 9.069,640 9.923,641 10.796,642 11.658,643 12.537,644 6.5,647 1,649 5,651 1,654 16,658 8,660 24,661 1,666 1,667 1,669 108,670 29,671 4,672 62,673 113,674 44,675 24,676 8,677 16,678 1,679 6,680 7,683 1,684 1,685 3,687 6,688 29,689 15,691 5,692 4,694 1,695 5,699 51,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,731 5,734 2,737 57,740 12,741 4,742 2,744 1,745 2,749 5.6,752 4,754 2,755 28.833,756 19.517,757 12.667,758 6.675,759 4.262,760 1.452,761 0.971,762 15.26,763 13.695,764 4.382,765 4.89,766 5.359,767 5.88,768 6.38,769 6.557,770 6.899,771 7.234,772 7.507,773 7.812,774 1,775 89,776 21.279,777 9.035,778 7.763,779 40.564,780 32.939,781 2.263,782 129,785 553.242,786 251.117,787 95.077,789 122.579,792 251.117,793 675.821,794 95.077,795 17.222,796 105.495,797 151.62,798 112.746,799 70.652,800 22.809,801 541.471,803 553.242,804 346.194,805 122.579,807 459.073,808 216.748,810 134.23,811 211.963,814 553.242,815 217.657,816 251.117,817 553.242,818 82.275,819 175.09,820 72.043,821 139.365,822 553.242,823 217.657,824 251.117,825 0.57,826 0.321,827 0.175,828 0.096,829 34,830 16,831 0.142,832 16,833 1,834 1.057,835 6.492,836 604.114,837 0.057,838 35,839 324.475,841 41.578,842 20.92,843 12.468,845 217.657,846 29.643,850 5.747,852 72.043,853 1022.02,854 79,855 51.691,857 4.733,858 -1.348,859 108.116,860 121.879,861 0.226,862 0.545,863 0.768,864 0.905,865 0.938,866 0.938,867 5.613,868 2.378,869 6.457,870 6.945,871 5.118,872 5.58,873 3.471,874 7.212,875 5.054,876 6.778,877 2.227,878 7.976,879 6.146,880 4.575,881 5.231,882 2.863,883 7.98,884 4.482,885 8.052,886 2.105,887 9.594,888 6.089,889 6.653,890 7.626,891 4.466,892 11.1,893 6.52,894 9.357,895 2.014,896 11.273,897 5.752,898 6.929,899 8.069,900 4.549,901 12.75,902 6.765,903 10.694,904 1.835,905 12.995,906 5.573,907 8.451,908 9.955,909 5.726,910 15.391,911 8.254,912 12.052,913 1.686,914 14.748,915 5.12,916 9.136,917 10.793,918 6.105,919 17.449,920 8.908,921 13.429,922 1.61,923 16.526,924 4.686,925 10.419,926 12.448,927 7.092,928 19.932,929 10.162,930 3.257,931 1.468,932 18.323,933 3.368,934 11.322,935 13.508,936 7.626,937 22.186,938 11.033,939 2.831,940 11.438,941 20.137,942 3.33,943 12.504,944 15.043,945 8.514,946 24.621,947 12.189,948 2.755,949 9.383,950 21.965,951 4.147,952 13.523,953 16.236,954 9.136,955 26.967,956 13.176,957 2.718,958 8.398,959 23.806,960 3.68,961 14.67,962 17.704,963 9.97,964 29.392,965 14.296,966 2.602,967 8.011,968 25.658,969 3.676,970 15.752,971 18.978,972 10.646,973 31.782,974 15.347,975 2.483,976 7.659,977 27.519,978 3.662,979 16.892,980 20.411,981 11.45,982 34.207,983 16.459,984 2.462,985 7.373,986 29.388,987 3.17,988 18.01,989 21.735,990 12.158,991 36.619,992 17.546,993 82355,994 127951,995 41.838,996 70.518,997 91.277,998 94.546,999 92.926,1000 90.294,1001 90.243,1002 113.017,1003 23.718,1004 247.043,1005 87.502,1006 5.559,1007 5.906,1008 6.677,1009 5.31,1010 5.257,1011 7.147,1012 3.889,1013 19.056,1014 5.159,1015 27.461,1016 1.472,1017 1.525,1018 1.499,1019 1.456,1020 1.456,1021 1.823,1022 0.383,1023 3.985,1024 1.411,1025 4.06,1026 4.093,1027 4.014,1028 3.969,1029 7.439,1030 3.975,1031 3.956,1032 3.993,1033 3.887,1034 3.871,1035 7.432,1036 3.87,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.848,1044 3.874,1045 3.793,1046 3.766,1047 7.424,1048 3.766,1049 3.793,1050 3.849,1051 3.663,1052 3.654,1053 4.904,1054 3.646,1055 3.762,1056 3.816,1057 3.653,1058 3.583,1059 4.841,1060 3.589,1061 3.633,1062 3.68,1063 3.571,1064 3.421,1065 4.754,1066 3.453,1067 3.601,1068 3.668,1069 3.476,1070 3.413,1071 4.72,1072 3.411,1073 0.074,1074 0.063,1075 0.111,1076 0.068,1077 0.053,1078 4.559,1079 0.067,1080 3.906,1081 0.035,1082 6.875,1083 0.184,1084 4.227,1085 0.051,1086 3.257,1087 4.147,1088 2.186,1089 11.438,1090 3.159,1091 1.96,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.046,1100 2.043,1101 1.234,1102 2.044,1103 1.914,1104 1.884,1105 2.036,1106 2.016,1107 1.18,1108 2.022,1109 1.834,1110 1.808,1111 1.986,1112 1.96,1113 1.169,1114 1.966,1115 1.789,1116 1.731,1117 1.95,1118 1.948,1119 1.132,1120 1.949,1121 1.715,1122 1.657,1123 1.934,1124 1.916,1125 1.125,1126 1.923,1127 1.586,1128 1.531,1129 1.849,1130 1.829,1131 1.035,1132 1.819,1133 1.573,1134 1.515,1135 1.715,1136 1.792,1137 0.825,1138 1.791,1139 4.828,1140 6.125,1142 7.599,1143 2.708,1144 9.158,1145 5.46,1146 10.763,1147 3.549,1152 9.688,1153 11.078,1154 11.508,1156 -1.238,1157 3.949,1159 67.028,1160 164.858,1161 397.583,1162 560.434,1163 660.408,1164 684.018,1165 684.018,1166 144.443,1167 9.433,1168 153.7,1169 153.7,1170 37,1171 13.078,1172 4.907,1173 4.17,1174 99.621,1175 487,1176 544,1177 0.094,1178 410.245,1179 736.86,1180 992.757,1181 292121,1183 39.986,1184 0.702,1185 0.572,1186 39.986,1187 32.591,1188 27.712,1189 0.447,1190 0.316,1191 19.306,1192 26.652,1193 18.883,1194 15.685,1195 27.712,1196 19.575,1197 24.504,1198 0.295,1199 0.172,1200 24.504,1201 14.246,1202 19.634,1203 0.189,1204 0.093,1205 19.634,1206 9.72,1207 16.367,1208 0.122,1209 0.051,1210 16.367,1211 6.838,1212 13.043,1213 0.078,1214 0.028,1215 13.043,1216 4.638,1217 0.157,1218 173.671,1219 0.155,1220 49.384,1221 0.232,1222 290,1223 856.68,1224 321.26,1225 818.236,1226 1107.07,1227 766,1228 332,1229 801.625,1230 361.439,1231 806.586,1232 1175.27,1233 759,1234 5.42}
{0 CHEMBL290122,1 1.516,2 27.069,3 6.091,4 37.104,5 223.294,6 7.1,7 0.381,8 4.785,9 4.911,10 4.302,11 4.294,12 5.846,13 4.27,14 5.345,15 5.527,16 4.63,17 4.681,18 6.409,19 4.624,20 5.643,21 5.866,22 4.719,23 4.848,24 6.632,25 4.766,26 5.692,27 5.924,28 4.716,29 4.837,30 6.726,31 4.756,32 5.687,33 5.911,34 4.731,35 4.852,36 6.784,37 4.771,38 5.692,39 5.921,40 4.716,41 4.846,42 6.751,43 4.759,44 5.702,45 5.944,46 4.642,47 4.785,48 6.805,49 4.693,50 5.608,51 5.853,52 4.541,53 4.691,54 6.672,55 4.597,56 0.037,57 1.612,58 24.033,59 10.092,60 13.612,61 13.695,62 0.746,63 2.577,64 45.847,65 16.651,66 67.96,67 23.438,68 0.757,69 3.208,70 64.622,71 22.178,72 99.843,73 31.571,74 0.866,75 3.265,76 69.152,77 22.469,78 125.014,79 32.174,80 1.114,81 3.259,82 68.677,83 22.565,84 152.712,85 31.939,86 0.731,87 3.257,88 68.491,89 23.33,90 118.047,91 33.274,92 1.12,93 3.16,94 71.198,95 22.526,96 171.63,97 32.354,98 0.985,99 2.855,100 64.941,101 20.826,102 138.791,103 29.695,104 26,105 83,106 0.215,107 0.512,108 0.72,109 0.856,110 0.892,111 0.896,112 4.079,113 0.957,114 -4.7,115 -4.62,116 -4.34,117 40.5,119 7,121 1,122 7,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 22,152 2,153 12,156 6,157 1,158 5,161 22,165 2,166 12,169 2,171 4,174 13,177 1,178 18,181 2,183 7,185 12,188 3,189 14,191 3,192 1,193 7,195 16,198 1,199 15,202 1,204 12,206 13,209 2,210 18,213 2,215 9,217 9,220 1,221 15,223 2,224 1,225 6,227 11,231 10,234 2,236 2,239 21,243 10750,244 39.672,245 39.672,246 39.672,247 39.672,248 39.672,249 36.071,250 51.094,251 24.368,252 40.369,253 31.199,254 31.199,255 31.199,256 31.199,257 31.199,258 25.557,259 67.524,260 11.73,261 32.229,262 5.278,263 3.183,264 1.717,265 0.756,266 0.5,267 0.475,268 4.787,273 3419,274 5.477,276 1117.94,277 217.595,280 362.659,282 4.271,283 62.003,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 125.5,294 1570,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.186,302 11.429,303 3.155,304 4.102,305 3.638,306 6.31,307 3.774,308 2.793,309 3.684,310 2.062,311 9.331,312 2.732,313 4.086,314 3.574,315 5.941,316 3.72,317 2.755,318 3.676,319 1.907,320 8.331,321 2.672,322 4.047,323 3.533,324 5.684,325 3.705,326 2.724,327 3.53,328 1.653,329 8.011,330 2.663,331 3.885,332 3.188,333 5.643,334 3.537,335 2.566,336 3.171,337 0.916,338 7.854,339 2.492,340 3.679,341 3.06,342 5.327,343 3.403,344 2.462,345 2.86,346 0.86,347 6.945,348 2.389,349 3.644,350 2.829,351 5.233,352 3.387,353 2.411,354 2.835,355 0.85,356 6.509,357 2.288,358 3.603,359 2.823,360 5.085,361 3.317,362 2.351,363 2.805,364 0.488,365 6.129,366 2.252,367 3.564,368 2.788,369 5.044,370 3.246,371 2.262,372 2.712,373 0.366,374 6.044,375 2.179,376 3.408,377 2.33,378 5.011,379 2.999,380 2.032,381 2.698,382 0.219,383 5.846,384 1.958,385 3.238,386 2.293,387 4.851,388 2.969,389 2.014,390 2.436,391 0.172,392 5.573,393 1.913,394 3.233,395 2.242,396 4.684,397 2.828,398 1.833,399 2.346,400 0.149,401 4.999,402 1.813,403 2.958,404 1.9,405 4.204,406 2.594,407 1.622,408 2.118,409 0.03,410 3.533,411 1.571,412 2.776,413 1.834,414 4.003,415 2.544,416 1.556,417 1.896,419 3.369,420 1.534,421 2.723,422 1.788,423 3.735,424 2.41,425 1.441,426 1.789,428 3.093,429 1.391,430 27.3,431 0.471,432 1.112,433 0.019,434 70.5,435 1.216,436 33,437 0.569,438 37.5,439 0.647,440 60.488,441 1.043,442 63.9,443 0.576,444 68.302,445 1.178,446 14.098,447 0.243,448 14.22,449 0.245,450 0.067,452 0.267,454 0.768,455 1.403,456 0.835,457 1.17,458 0.559,459 1.03,460 0.751,461 1.109,462 0.971,463 1.057,464 0.534,465 1.044,466 1.026,467 1.063,468 0.984,469 1.005,470 0.906,471 0.988,472 1.189,473 1.056,474 1.005,475 0.979,476 1.191,477 0.963,478 1.168,479 0.984,480 1.046,481 0.966,482 1.152,483 0.983,484 1.034,485 1.155,486 0.982,487 1.095,488 1.073,489 1.04,490 1.203,491 1.005,492 1.027,493 0.968,494 1.154,495 0.968,496 1.22,497 0.955,498 1.003,499 0.939,500 1.265,501 0.938,502 9.5,503 0.282,504 4.444,505 3.625,506 2.639,507 1.636,508 1.249,509 0.793,510 0.573,511 0.386,512 101402,513 240373,514 2.092,515 47.7,516 2,517 34,518 1,520 4,521 2,522 8,523 2,524 1.875,525 2,526 4.593,527 1.207,530 168.306,531 1.516,532 3.611,533 5.077,534 6.038,535 6.294,536 6.319,537 4.039,538 5.582,539 5.831,540 4.907,541 8110.97,542 10.354,543 224399,546 754.18,547 1.209,548 5.808,549 0.151,550 0.004,551 0.054,552 0.041,553 0.03,554 0.019,555 0.015,556 0.01,557 0.008,558 0.006,559 0.337,561 0.5,562 0.406,563 382.68,564 -0.036,565 -0.159,566 0.049,567 -0.054,568 -0.021,569 0.002,570 0.171,571 0.042,572 -0.023,573 -0.028,574 0.103,575 -0.055,576 -0.037,577 -0.021,578 -0.003,579 -0.007,580 -0.029,581 -0.002,582 -0.073,583 -0.04,585 -0.005,586 -0.053,587 0.007,588 -0.007,589 0.044,590 -0.04,591 0.012,592 0.008,593 -0.016,594 -0.002,595 -0.149,596 0.008,597 -0.099,598 0.012,599 -0.051,600 -0.005,601 -0.028,602 -0.004,603 -0.007,604 0.061,605 -0.004,606 -0.023,607 0.01,608 0.021,609 0.025,610 -0.005,611 0.03,612 2.495,613 6.463,614 0.603,615 122.094,616 1,617 1.129,618 3.469,619 12.036,620 0.651,621 4.159,622 4.431,623 4.654,624 4.89,625 5.106,626 5.176,627 5.298,628 5.394,629 5.447,630 5.509,631 15.764,632 0.618,633 788.05,634 4.159,635 5.68,636 6.503,637 7.353,638 8.193,639 9.053,640 9.903,641 10.77,642 11.628,643 12.5,644 6.3,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 111,670 29,671 4,672 63,673 116,674 45,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 7,688 29,689 16,691 5,692 4,694 1,695 5,699 53,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,728 1,731 5,734 1,737 58,740 14,741 4,742 2,744 1,745 2,749 5.4,752 4,754 2,755 29,756 19.6,757 13,758 6.897,759 4.257,760 1.456,761 0.97,762 16.282,763 13.598,764 4.394,765 4.883,766 5.347,767 5.849,768 6.342,769 6.489,770 6.826,771 7.122,772 7.364,773 7.633,774 1,775 89,776 21.645,777 9.142,778 7.747,779 41.422,780 33.618,781 2.247,782 130.333,785 576.784,786 253.651,787 95.077,789 122.579,792 253.651,793 699.363,794 95.077,795 8.396,796 112.622,797 161.096,798 112.746,799 65.409,800 22.809,801 565.013,803 576.784,804 348.728,805 122.579,807 459.073,808 240.291,810 132.532,811 216.196,814 576.784,815 217.657,816 253.651,817 576.784,818 84.159,819 175.741,820 72.043,821 139.365,822 576.784,823 217.657,824 253.651,825 0.565,826 0.32,827 0.173,828 0.095,829 33,830 15,831 0.155,832 18,833 1,834 1.057,835 6.731,836 598.956,837 0.057,838 35,839 329.763,841 42.551,842 22.193,843 13.242,845 217.657,846 32.429,850 5.747,852 72.043,853 1048.09,854 80,855 51.159,857 4.725,858 -1.017,859 110.999,860 125.294,861 0.223,862 0.531,863 0.747,864 0.889,865 0.926,866 0.93,867 5.617,868 2.351,869 6.447,870 6.509,871 5.118,872 5.572,873 3.471,874 7.189,875 5.056,876 6.768,877 2.262,878 7.957,879 6.129,880 4.511,881 5.156,882 2.863,883 7.943,884 4.426,885 8.034,886 2.032,887 9.568,888 6.044,889 6.637,890 7.596,891 4.466,892 11.066,893 6.512,894 9.331,895 2.014,896 11.244,897 5.846,898 6.878,899 7.998,900 4.549,901 12.724,902 6.727,903 10.662,904 1.833,905 12.964,906 5.573,907 8.425,908 9.91,909 5.726,910 15.361,911 8.24,912 12.016,913 1.622,914 14.718,915 4.999,916 9.091,917 10.72,918 6.105,919 17.427,920 8.879,921 13.389,922 1.556,923 16.496,924 3.533,925 10.386,926 12.392,927 7.092,928 19.909,929 10.146,930 3.254,931 1.441,932 18.295,933 3.369,934 11.28,935 13.433,936 7.626,937 22.167,938 11.009,939 2.793,940 11.429,941 20.111,942 3.093,943 12.468,944 14.978,945 8.514,946 24.602,947 12.17,948 2.755,949 9.331,950 21.941,951 4.133,952 13.483,953 16.158,954 9.136,955 26.951,956 13.154,957 2.724,958 8.331,959 23.784,960 3.684,961 14.633,962 17.633,963 9.97,964 29.375,965 14.276,966 2.566,967 8.011,968 25.637,969 3.676,970 15.714,971 18.898,972 10.646,973 31.766,974 15.325,975 2.462,976 7.854,977 27.5,978 3.53,979 16.856,980 20.336,981 11.45,982 34.191,983 16.438,984 2.411,985 6.945,986 29.37,987 3.171,988 17.973,989 21.654,990 12.158,991 36.603,992 17.524,993 94113,994 145497,995 42.819,996 72.279,997 92.239,998 95.273,999 93.536,1000 91.2,1001 91.148,1002 113.749,1003 23.718,1004 245.812,1005 88.455,1006 5.553,1007 5.906,1008 6.675,1009 5.303,1010 5.254,1011 7.133,1012 3.889,1013 19.038,1014 5.155,1015 25.416,1016 1.464,1017 1.512,1018 1.485,1019 1.448,1020 1.447,1021 1.806,1022 0.376,1023 3.902,1024 1.404,1025 4.058,1026 4.093,1027 4.009,1028 3.97,1029 7.439,1030 3.973,1031 3.959,1032 3.995,1033 3.892,1034 3.877,1035 7.432,1036 3.875,1037 3.93,1038 3.963,1039 3.866,1040 3.854,1041 7.427,1042 3.852,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.85,1051 3.667,1052 3.654,1053 4.889,1054 3.646,1055 3.77,1056 3.824,1057 3.661,1058 3.585,1059 4.838,1060 3.592,1061 3.643,1062 3.692,1063 3.577,1064 3.424,1065 4.748,1066 3.455,1067 3.615,1068 3.673,1069 3.516,1070 3.416,1071 4.681,1072 3.418,1073 0.072,1074 0.062,1075 0.109,1076 0.067,1077 0.052,1078 4.553,1079 0.066,1080 3.906,1081 0.035,1082 6.873,1083 0.181,1084 4.224,1085 0.05,1086 3.254,1087 4.133,1088 2.186,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.896,1099 2.057,1100 2.04,1101 1.235,1102 2.047,1103 1.924,1104 1.894,1105 2.043,1106 2.027,1107 1.221,1108 2.032,1109 1.837,1110 1.806,1111 1.986,1112 1.956,1113 1.18,1114 1.965,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.169,1120 1.948,1121 1.717,1122 1.659,1123 1.938,1124 1.922,1125 1.125,1126 1.929,1127 1.588,1128 1.532,1129 1.85,1130 1.829,1131 1.036,1132 1.823,1133 1.577,1134 1.519,1135 1.721,1136 1.807,1137 0.872,1138 1.797,1139 4.844,1140 6.129,1142 7.594,1143 2.708,1144 9.144,1145 5.46,1146 10.74,1147 1.665,1152 10.435,1153 11.109,1154 11.248,1156 -1.162,1157 3.993,1159 68.555,1160 168.306,1161 400.842,1162 563.558,1163 670.264,1164 698.67,1165 701.425,1166 146.375,1167 9.34,1168 153.7,1169 153.7,1170 37,1171 13.045,1172 4.907,1173 4.17,1174 102.763,1175 562,1176 566,1177 0.084,1178 419.837,1179 754.16,1180 1016.16,1181 282569,1183 40.53,1184 0.699,1185 0.57,1186 40.53,1187 33.083,1188 28.318,1189 0.449,1190 0.319,1191 19.827,1192 27.247,1193 19.451,1194 16.117,1195 28.318,1196 20.103,1197 24.565,1198 0.296,1199 0.174,1200 24.565,1201 14.412,1202 19.881,1203 0.191,1204 0.096,1205 19.881,1206 9.982,1207 16.311,1208 0.124,1209 0.053,1210 16.311,1211 6.978,1212 13.065,1213 0.08,1214 0.029,1215 13.065,1216 4.771,1217 0.143,1218 177.399,1219 0.153,1220 50.651,1221 0.201,1222 292,1223 856.68,1224 322.595,1225 816.865,1226 1102.42,1227 766,1228 333,1229 789.807,1230 361.775,1231 794.858,1232 1157.62,1233 749,1234 5.301}
{0 CHEMBL29331,1 1.481,2 24.69,3 6.671,4 44.508,5 226.195,6 6.956,7 0.381,8 4.795,9 4.925,10 4.295,11 4.319,12 5.836,13 4.286,14 5.359,15 5.547,16 4.623,17 4.708,18 6.378,19 4.641,20 5.674,21 5.905,22 4.722,23 4.875,24 6.651,25 4.784,26 5.719,27 5.962,28 4.739,29 4.869,30 6.721,31 4.782,32 5.718,33 5.943,34 4.807,35 4.9,36 6.855,37 4.824,38 5.76,39 5.987,40 4.821,41 4.92,42 6.862,43 4.841,44 5.782,45 6.018,46 4.734,47 4.894,48 6.847,49 4.805,50 5.733,51 5.973,52 4.697,53 4.845,54 6.833,55 4.754,56 0.065,57 1.641,58 24.902,59 10.386,60 13.927,61 14.341,62 0.578,63 2.65,64 46.783,65 17.245,66 55.714,67 24.635,68 0.861,69 3.327,70 67.219,71 22.938,72 104.48,73 33.059,74 0.812,75 3.385,76 71.178,77 23.457,78 111.358,79 34.128,80 1.128,81 3.428,82 70.826,83 23.144,84 173.114,85 33.378,86 0.922,87 3.547,88 73.749,89 24.402,90 142.058,91 35.006,92 1.006,93 3.508,94 76.654,95 24.311,96 153.842,97 34.752,98 1.054,99 3.316,100 73.098,101 23.622,102 170.789,103 33.796,104 26,105 83,106 0.209,107 0.497,108 0.696,109 0.842,110 0.892,111 0.895,112 4.079,113 0.975,114 -5.17,115 -5.06,116 -4.74,117 40.7,118 1,119 8,122 7,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 24,152 1,153 11,156 5,157 1,158 5,161 24,165 3,166 11,169 3,171 4,174 14,177 1,178 15,181 2,183 8,185 12,188 4,189 15,191 3,193 10,195 16,198 2,199 16,202 2,203 1,204 12,206 13,210 22,213 1,214 1,215 9,217 10,220 1,221 20,223 2,224 1,225 8,227 12,230 1,231 12,234 2,236 5,239 24,243 10986,244 39.672,245 39.672,246 39.672,247 39.672,248 39.672,249 36.018,250 49.035,251 24.475,252 40.204,253 31.236,254 31.236,255 31.236,256 31.236,257 31.236,258 25.6,259 64.323,260 11.825,261 32.05,262 5.339,263 3.302,264 1.896,265 0.862,266 0.509,267 0.485,268 4.787,273 3109,274 5.477,276 1066.81,277 216.631,280 348.144,282 3.364,283 63.046,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 124.5,294 1432,295 4.562,296 3.934,297 6.911,298 4.241,299 3.274,300 4.137,301 2.072,302 11.616,303 3.168,304 4.092,305 3.588,306 6.361,307 3.795,308 2.814,309 3.676,310 1.946,311 9.599,312 2.754,313 4.086,314 3.574,315 5.951,316 3.72,317 2.755,318 3.662,319 1.907,320 8.376,321 2.663,322 4.065,323 3.515,324 5.684,325 3.688,326 2.715,327 3.539,328 1.653,329 8.011,330 2.644,331 3.88,332 3.188,333 5.58,334 3.536,335 2.561,336 3.187,337 0.916,338 7.643,339 2.494,340 3.67,341 3.06,342 5.327,343 3.399,344 2.462,345 2.894,346 0.86,347 6.945,348 2.389,349 3.658,350 2.823,351 5.292,352 3.384,353 2.383,354 2.829,355 0.854,356 6.545,357 2.33,358 3.564,359 2.804,360 5.035,361 3.34,362 2.339,363 2.764,364 0.52,365 6.092,366 2.288,367 3.557,368 2.73,369 5.001,370 3.204,371 2.208,372 2.712,373 0.222,374 5.947,375 2.183,376 3.386,377 2.33,378 4.913,379 2.97,380 2.015,381 2.658,382 0.172,383 5.573,384 1.923,385 3.238,386 2.259,387 4.851,388 2.959,389 1.991,390 2.387,391 0.149,392 5.544,393 1.913,394 3.181,395 2.138,396 4.592,397 2.77,398 1.775,399 2.346,400 0.148,401 4.79,402 1.758,403 2.957,404 1.934,405 4.235,406 2.711,407 1.718,408 2.113,409 0.029,410 3.65,411 1.702,412 2.777,413 1.862,414 4.01,415 2.557,416 1.575,417 1.896,419 3.477,420 1.54,421 2.754,422 1.827,423 3.791,424 2.525,425 1.535,426 1.792,428 3.244,429 1.514,430 27.467,431 0.474,432 1.112,433 0.019,434 70,435 1.207,436 33,437 0.569,438 37,439 0.638,440 63.888,441 1.102,442 63.733,443 0.564,444 68.702,445 1.185,446 13.724,447 0.237,448 14.593,449 0.252,450 0.067,452 0.266,454 0.747,455 1.38,456 0.858,457 1.152,458 0.549,459 1.033,460 0.743,461 1.176,462 0.977,463 1.104,464 0.544,465 1.072,466 1.047,467 1.03,468 0.996,469 0.985,470 0.974,471 0.982,472 1.126,473 1.048,474 0.932,475 0.951,476 1.092,477 0.917,478 1.138,479 1.037,480 0.981,481 0.96,482 1.131,483 0.946,484 1.186,485 1.131,486 0.994,487 1.054,488 1.316,489 1.004,490 1.506,491 1.02,492 1.103,493 0.973,494 1.49,495 0.98,496 1.342,497 0.99,498 1.027,499 0.952,500 1.325,501 0.947,502 9.5,503 0.327,504 4.222,505 3.625,506 2.839,507 1.851,508 1.342,509 0.932,510 0.695,511 0.455,512 91198,513 207849,514 2.092,515 48.7,516 9,517 31,518 1,520 4,521 2,522 6,523 2,524 1.88,525 2,526 4.447,527 1.19,530 167.36,531 1.481,532 3.518,533 4.924,534 5.958,535 6.311,536 6.336,537 3.875,538 5.651,539 5.825,540 4.748,541 7847.95,542 10.377,543 203856,546 770.68,547 1.209,548 5.808,549 0.151,550 0.004,551 0.051,552 0.041,553 0.032,554 0.019,555 0.014,556 0.011,557 0.008,558 0.006,559 0.336,561 0.5,562 0.406,563 376.757,564 -0.029,565 -0.136,566 0.047,567 -0.034,568 -0.016,569 0.009,570 0.131,571 -0.023,572 -0.024,573 -0.069,574 0.075,575 -0.071,576 0.003,577 0.014,578 -0.003,579 0.003,580 -0.034,581 -0.003,582 -0.016,583 -0.035,584 0.075,585 0.022,586 -0.002,587 0.056,588 0.086,589 0.007,590 0.033,591 0.015,592 0.12,593 0.017,594 0.025,595 -0.102,596 0.018,597 -0.075,598 0.01,599 -0.036,600 -0.152,601 -0.016,602 -0.07,603 -0.015,604 -0.092,605 -0.027,606 -0.035,607 -0.001,608 0.002,609 0.013,610 0.05,611 0.013,612 2.634,613 7.142,614 0.603,615 122.795,616 0.996,617 1.128,618 3.936,619 15.496,620 0.651,621 4.159,622 4.431,623 4.654,624 4.913,625 5.147,626 5.231,627 5.366,628 5.505,629 5.591,630 5.663,631 14.147,632 0.614,633 786.08,634 4.159,635 5.68,636 6.503,637 7.357,638 8.2,639 9.065,640 9.921,641 10.795,642 11.66,643 12.541,644 6.2,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 113,670 29,671 4,672 63,673 118,674 46,675 24,676 7,677 17,678 1,679 6,680 7,683 1,684 1,685 3,687 8,688 29,689 17,691 5,692 4,694 1,695 5,699 55,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 58,740 15,741 4,742 1,744 1,745 2,749 4.4,752 4,754 1,755 29,756 19.933,757 13,758 7.172,759 3.48,760 1.382,761 0.972,762 16.317,763 12.6,764 4.394,765 4.883,766 5.342,767 5.856,768 6.359,769 6.507,770 6.842,771 7.172,772 7.438,773 7.71,774 0.938,775 89,776 21.717,777 9.22,778 7.713,779 41.704,780 34.059,781 2.213,782 128.333,785 600.326,786 252.07,787 95.077,789 111.58,792 252.07,793 711.906,794 95.077,795 8.825,796 112.67,797 161.096,798 117.45,799 54.409,800 16.047,801 588.555,803 600.326,804 347.147,805 111.58,807 506.157,808 205.748,810 141.405,811 205.742,814 600.326,815 206.657,816 252.07,817 600.326,818 82.149,819 176.17,820 72.043,821 128.365,822 600.326,823 206.657,824 252.07,825 0.564,826 0.316,827 0.175,828 0.099,829 33,830 15,831 0.153,832 18,833 1,834 1.057,835 6.557,836 619.27,837 0.057,838 35,839 329.763,841 42.589,842 22.221,843 13.262,845 206.657,846 32.351,850 5.623,852 72.043,853 1059.05,854 80,855 53.074,857 4.776,858 -0.961,859 112.556,860 127.5,861 0.217,862 0.516,863 0.722,864 0.874,865 0.925,866 0.929,867 5.617,868 2.339,869 6.447,870 6.545,871 5.118,872 5.572,873 3.409,874 7.194,875 5.067,876 6.768,877 2.208,878 7.957,879 6.092,880 4.511,881 5.156,882 2.802,883 7.958,884 4.441,885 8.034,886 2.015,887 9.569,888 5.947,889 6.637,890 7.594,891 4.318,892 11.094,893 6.528,894 9.331,895 1.991,896 11.247,897 5.573,898 6.878,899 7.993,900 4.394,901 12.778,902 6.743,903 10.661,904 1.775,905 12.971,906 5.544,907 8.429,908 9.907,909 5.48,910 15.43,911 8.259,912 12.015,913 1.718,914 14.728,915 4.79,916 9.101,917 10.716,918 5.85,919 17.527,920 8.899,921 13.389,922 1.575,923 16.513,924 3.65,925 10.4,926 12.389,927 6.747,928 20.024,929 10.169,930 3.274,931 1.535,932 18.318,933 3.477,934 11.303,935 13.43,936 7.264,937 22.31,938 11.036,939 2.814,940 11.616,941 20.142,942 3.244,943 12.496,944 14.976,945 8.066,946 24.76,947 12.2,948 2.755,949 9.599,950 21.979,951 4.137,952 13.522,953 16.157,954 8.663,955 27.132,956 13.188,957 2.715,958 8.376,959 23.83,960 3.676,961 14.678,962 17.633,963 9.416,964 29.572,965 14.314,966 2.561,967 8.011,968 25.691,969 3.662,970 15.769,971 18.899,972 10.059,973 31.983,974 15.368,975 2.462,976 7.643,977 27.562,978 3.539,979 16.918,980 20.337,981 10.787,982 34.423,983 16.485,984 2.383,985 6.945,986 29.44,987 3.187,988 18.044,989 21.656,990 11.456,991 36.852,992 17.575,993 85005,994 128910,995 42.819,996 73.586,997 92.239,998 95.045,999 93.499,1000 91.232,1001 91.199,1002 113.829,1003 22.9,1004 246.076,1005 89.068,1006 5.562,1007 5.934,1008 6.741,1009 5.306,1010 5.274,1011 7.137,1012 3.598,1013 19.23,1014 5.168,1015 25.109,1016 1.464,1017 1.509,1018 1.484,1019 1.448,1020 1.448,1021 1.807,1022 0.363,1023 3.906,1024 1.414,1025 4.063,1026 4.098,1027 4.015,1028 3.972,1029 7.438,1030 3.976,1031 3.957,1032 3.994,1033 3.887,1034 3.872,1035 7.428,1036 3.87,1037 3.919,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.835,1044 3.871,1045 3.765,1046 3.766,1047 7.422,1048 3.761,1049 3.796,1050 3.854,1051 3.674,1052 3.656,1053 4.887,1054 3.648,1055 3.789,1056 3.841,1057 3.662,1058 3.639,1059 4.838,1060 3.635,1061 3.674,1062 3.732,1063 3.589,1064 3.475,1065 4.753,1066 3.491,1067 3.627,1068 3.678,1069 3.539,1070 3.433,1071 4.678,1072 3.447,1073 0.072,1074 0.062,1075 0.11,1076 0.067,1077 0.052,1078 4.562,1079 0.066,1080 3.934,1081 0.033,1082 6.911,1083 0.184,1084 4.241,1085 0.05,1086 3.274,1087 4.137,1088 2.072,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.042,1101 1.342,1102 2.048,1103 1.914,1104 1.884,1105 2.037,1106 2.018,1107 1.194,1108 2.022,1109 1.84,1110 1.81,1111 2.007,1112 1.973,1113 1.175,1114 1.982,1115 1.79,1116 1.731,1117 1.983,1118 1.952,1119 1.132,1120 1.959,1121 1.768,1122 1.71,1123 1.96,1124 1.93,1125 1.127,1126 1.944,1127 1.634,1128 1.576,1129 1.876,1130 1.851,1131 1.05,1132 1.859,1133 1.59,1134 1.537,1135 1.752,1136 1.816,1137 0.982,1138 1.802,1139 4.844,1140 6.129,1142 7.594,1143 2.708,1144 9.146,1145 5.46,1146 10.748,1147 1.921,1152 11.602,1153 11.415,1154 5.955,1156 -1.301,1157 3.877,1159 69.367,1160 167.36,1161 397.571,1162 556.464,1163 673.254,1164 713.17,1165 715.925,1166 154.727,1167 9.12,1168 144.47,1169 144.47,1170 37,1171 13.08,1172 4.907,1173 4.17,1174 102.32,1175 488,1176 570,1177 0.095,1178 425.433,1179 762.67,1180 1029.82,1181 188375,1183 40.53,1184 0.699,1185 0.576,1186 40.53,1187 33.382,1188 28.318,1189 0.449,1190 0.325,1191 20.241,1192 27.39,1193 19.83,1194 16.466,1195 28.318,1196 20.479,1197 24.621,1198 0.297,1199 0.179,1200 24.621,1201 14.853,1202 19.62,1203 0.189,1204 0.098,1205 19.62,1206 10.169,1207 16.432,1208 0.122,1209 0.054,1210 16.432,1211 7.229,1212 13.396,1213 0.078,1214 0.029,1215 13.396,1216 4.997,1217 0.159,1218 176.407,1219 0.153,1220 49.941,1221 0.236,1222 292,1223 812.944,1224 319.054,1225 783.253,1226 1059.82,1227 734,1228 333,1229 761.704,1230 359.367,1231 769.461,1232 1120.06,1233 726,1234 6.187}
{0 CHEMBL29888,1 1.742,2 20.083,3 3.953,4 15.628,5 187.242,6 8.264,7 0.442,8 4.518,9 4.639,10 4.208,11 4.074,12 5.693,13 4.043,14 5.016,15 5.175,16 4.559,17 4.439,18 6.209,19 4.381,20 5.247,21 5.427,22 4.629,23 4.565,24 6.433,25 4.506,26 5.329,27 5.525,28 4.69,29 4.613,30 6.478,31 4.532,32 5.374,33 5.575,34 4.651,35 4.613,36 6.591,37 4.548,38 5.384,39 5.591,40 4.598,41 4.599,42 6.522,43 4.527,44 5.367,45 5.571,46 4.576,47 4.546,48 6.557,49 4.485,50 5.335,51 5.547,52 4.527,53 4.532,54 6.508,55 4.452,56 0.14,57 1.31,58 15.842,59 7.254,60 20.424,61 8.639,62 0.615,63 2.045,64 35.018,65 12.817,66 53.433,67 15.436,68 0.882,69 2.405,70 41.71,71 14.449,72 96.315,73 17.921,74 0.719,75 2.54,76 52.485,77 17.992,78 93.739,79 21.621,80 1.004,81 2.614,82 51.245,83 16.761,84 120.049,85 20.859,86 0.707,87 2.56,88 51.689,89 18.09,90 92.126,91 22.52,92 0.964,93 2.476,94 50.595,95 16.22,96 122.409,97 20.163,98 0.976,99 2.353,100 52.403,101 17.87,102 119.467,103 21.792,104 52,105 71,106 0.26,107 0.621,108 0.797,109 0.881,110 0.903,111 0.903,112 3.894,113 0.975,114 -3.91,115 -3.87,116 -3.67,117 39.8,118 1,121 1,122 4,125 1,132 12,133 3,134 3,136 1,138 1,140 1,141 2,142 2,144 1,145 2,146 2,147 2,150 13,152 2,153 8,155 2,156 6,157 2,158 2,160 2,161 15,164 1,165 3,166 8,169 3,171 3,174 10,177 1,178 10,180 2,181 3,183 8,185 7,187 2,188 3,189 14,191 2,193 8,195 7,199 14,202 1,204 9,206 5,209 1,210 15,213 1,215 9,217 3,219 2,220 3,221 12,223 2,225 4,227 7,230 2,231 7,234 1,236 2,239 14,243 6506,244 32.153,245 32.153,246 32.153,247 32.153,248 32.153,249 28.499,250 41.209,251 19.297,252 33.144,253 25.716,254 25.716,255 25.716,256 25.716,257 25.716,258 20.071,259 54.789,260 9.273,261 27.276,262 4.633,263 2.218,264 1.043,265 0.476,266 0.331,267 0.331,268 4.593,273 2066,274 5,275 158.756,276 467.604,277 160.011,280 260.881,282 2.965,283 55.794,285 0.25,286 0.33,287 0.33,288 0.3,290 0.17,292 0.2,293 104.5,294 964,295 4.558,296 4.25,297 6.875,298 4.227,299 3.257,300 4.146,301 3.272,302 11.438,303 3.159,304 4.164,305 3.906,306 6.318,307 3.801,308 2.824,309 3.791,310 2.062,311 9.38,312 2.751,313 4.124,314 3.606,315 5.954,316 3.688,317 2.763,318 3.672,319 2.03,320 8.388,321 2.643,322 4.074,323 3.533,324 5.675,325 3.645,326 2.715,327 3.662,328 1.653,329 7.971,330 2.524,331 3.899,332 3.204,333 5.581,334 3.564,335 2.586,336 3.17,337 1.2,338 7.652,339 2.44,340 3.732,341 3.022,342 5.427,343 3.406,344 2.444,345 3.019,346 0.892,347 7.093,348 2.352,349 3.635,350 2.866,351 5.105,352 3.267,353 2.286,354 2.913,355 0.85,356 6.122,357 2.227,358 3.615,359 2.754,360 5.03,361 3.166,362 2.24,363 2.818,364 0.488,365 6.083,366 2.12,367 3.554,368 2.747,369 4.997,370 3.149,371 2.185,372 2.792,373 0.219,374 5.958,375 2.028,376 3.197,377 2.714,378 4.878,379 2.83,380 1.859,381 2.404,382 0.141,383 5.34,384 1.803,385 3.074,386 2.279,387 4.579,388 2.683,389 1.785,390 2.231,391 0.129,392 4.724,393 1.653,394 3.043,395 2.162,396 4.338,397 2.633,398 1.701,399 2.153,400 0.03,401 4.342,402 1.502,403 2.925,404 2.119,405 4.167,406 2.468,407 1.517,408 2.095,410 3.36,411 1.457,412 2.675,413 1.86,414 3.937,415 2.402,416 1.464,417 1.749,419 3.239,420 1.333,421 2.661,422 1.7,423 3.683,424 2.192,425 1.201,426 1.733,428 3.025,429 1.188,430 23.1,431 0.481,432 1.188,433 0.025,434 63,435 1.313,436 31.5,437 0.656,438 31.5,439 0.656,440 47.533,441 0.99,442 51.3,443 0.618,444 58.369,445 1.216,446 12.317,447 0.257,448 10.839,449 0.226,450 0.121,452 0.32,454 0.859,455 1.243,456 0.75,457 0.914,458 0.712,459 0.872,460 0.691,461 1.055,462 1.014,463 1.1,464 0.537,465 0.958,466 1.104,467 1.026,468 0.955,469 0.937,470 1.084,471 0.985,472 1.039,473 1.113,474 0.914,475 1.041,476 1.056,477 1,478 1.147,479 1.022,480 0.989,481 0.979,482 1.052,483 0.992,484 1.149,485 1.114,486 0.929,487 1.057,488 1.135,489 1.04,490 1.47,491 1.017,492 0.964,493 0.946,494 1.531,495 0.998,496 1.21,497 0.907,498 0.962,499 0.941,500 1.166,501 0.93,502 10,503 0.392,504 4.222,505 3.569,506 2.742,507 1.716,508 1.106,509 0.819,510 0.674,511 0.456,512 48638,513 147115,514 2.052,515 42.2,516 3,517 23,518 2,520 7,524 1.84,525 1.92,526 4.181,527 3.6,530 144.609,531 1.742,532 4.157,533 5.333,534 5.899,535 6.044,536 6.044,537 3.717,538 5.46,539 5.546,540 4.451,541 5020.43,542 9.844,543 106681,546 529.128,547 1.409,548 5.515,549 0.192,550 0.006,551 0.059,552 0.048,553 0.036,554 0.023,555 0.015,556 0.012,557 0.01,558 0.007,559 0.408,560 0.17,561 0.5,562 0.754,563 292.151,564 -0.116,565 -0.063,566 0.043,567 0.055,568 -0.114,569 0.048,570 0.193,571 0.071,572 -0.006,573 -0.041,574 0.116,575 -0.001,576 -0.025,577 0.033,578 -0.077,579 -0.01,580 -0.084,581 -0.06,582 -0.022,583 -0.114,584 0.06,585 -0.038,586 -0.01,587 -0.016,588 -0.034,589 -0.004,590 -0.073,591 -0.049,592 0.032,593 -0.049,594 -0.092,595 -0.152,596 -0.034,597 -0.121,598 -0.049,599 -0.064,600 -0.181,601 -0.052,602 -0.073,603 -0.046,604 -0.167,605 -0.059,606 -0.008,607 0.024,609 0.029,610 0.024,611 0.056,612 2.536,613 6.497,614 0.583,615 88.655,616 1.01,617 1.127,618 2.68,619 7.183,620 0.688,621 3.97,622 4.277,623 4.5,624 4.762,625 4.963,626 5.081,627 5.209,628 5.318,629 5.425,630 5.525,631 11.359,632 0.654,633 685.91,634 3.97,635 5.509,636 6.34,637 7.209,638 8.059,639 8.935,640 9.797,641 10.678,642 11.548,643 12.433,644 10.8,645 2,649 4,651 2,652 1,654 13,655 1,657 1,658 8,660 23,661 1,667 1,669 83,670 28,671 3,672 52,673 87,674 33,675 21,676 6,677 12,678 2,679 5,680 6,682 1,683 1,684 1,688 26,689 7,691 5,692 3,694 2,695 5,699 35,700 13,701 7,702 15,703 2,705 9,706 0.8,707 4,712 1,713 3,714 1,717 1,719 1,720 1,725 2,731 4,732 1,733 2,734 2,737 48,738 2,740 4,741 3,742 1,743 1,744 1,745 1,747 1,749 4.8,752 3,754 1,755 25,756 15.133,757 10.583,758 4.471,759 4.166,760 1.467,761 0.984,762 12.331,763 13.084,764 4.241,765 4.794,766 5.289,767 5.832,768 6.289,769 6.512,770 6.844,771 7.136,772 7.436,773 7.738,774 1,775 75,776 17.799,777 7.556,778 7.868,779 33.29,780 26.634,781 2.368,782 113.667,785 329.591,786 252.492,787 173.308,789 86.435,791 63.497,792 188.995,793 416.026,794 173.308,795 17.222,796 131.448,797 121.364,798 104.386,799 68.142,800 29.717,801 369.546,803 329.591,804 362.303,805 86.435,806 63.497,807 329.591,808 86.435,810 177.102,811 168.415,812 16.786,813 63.497,814 329.591,815 259.742,816 252.492,817 329.591,818 113.907,819 141.71,820 54.032,821 202.586,822 329.591,823 259.742,824 252.492,825 0.576,826 0.321,827 0.176,828 0.096,829 30,830 15,831 0.138,832 12,833 1,834 1.071,835 5.634,836 490.968,837 0.071,838 28,839 262.078,840 2,841 35.197,842 16.816,843 9.954,845 259.742,846 23.721,847 4.341,849 1.36,850 5.385,852 119.827,853 841.825,854 68.5,855 38.958,857 8.677,858 -0.779,859 83.865,860 93.56,861 0.273,862 0.652,863 0.836,864 0.925,865 0.948,866 0.948,867 5.475,868 2.24,869 6.315,870 6.122,871 4.963,872 5.483,873 3.855,874 7.091,875 4.859,876 6.669,877 2.185,878 7.85,879 6.083,880 4.511,881 5.198,882 2.568,883 7.91,884 4.397,885 7.96,886 1.859,887 9.484,888 5.958,889 6.521,890 7.583,891 5.681,892 11.021,893 6.332,894 9.282,895 1.785,896 11.177,897 5.34,898 6.868,899 8.081,900 4.165,901 12.703,902 6.667,903 10.633,904 1.701,905 12.91,906 4.724,907 8.345,908 9.946,909 7.887,910 15.346,911 8.088,912 12.004,913 1.517,914 14.673,915 4.342,916 9.08,917 10.831,918 5.659,919 17.422,920 8.806,921 13.392,922 1.464,923 16.46,924 3.36,925 10.34,926 12.462,927 10.206,928 19.909,929 10.024,930 3.257,931 1.201,932 18.266,933 3.239,934 11.275,935 13.56,936 7.119,937 22.171,938 10.937,939 2.824,940 11.438,941 20.088,942 3.025,943 12.448,944 15.073,945 12.559,946 24.61,947 12.078,948 2.763,949 9.38,950 21.923,951 4.146,952 13.486,953 16.294,954 8.565,955 26.96,956 13.091,957 2.715,958 8.388,959 23.77,960 3.791,961 14.632,962 17.746,963 14.923,964 29.386,965 14.208,966 2.586,967 7.971,968 25.627,969 3.672,970 15.725,971 19.038,972 10.004,973 31.779,974 15.276,975 2.444,976 7.652,977 27.493,978 3.662,979 16.866,980 20.461,981 17.292,982 34.204,983 16.391,984 2.286,985 7.093,986 29.366,987 3.17,988 17.99,989 21.795,990 11.439,991 36.617,992 17.489,993 46231,994 80651,995 34.501,996 57.063,997 78.081,998 83.081,999 79.289,1000 76.551,1001 76.666,1002 99.124,1003 25.933,1004 214.006,1005 72.544,1006 5.51,1007 6.25,1008 6.647,1009 5.372,1010 5.257,1011 7.146,1012 6.545,1013 19.055,1014 5.159,1015 26.915,1016 1.502,1017 1.598,1018 1.525,1019 1.472,1020 1.474,1021 1.906,1022 0.499,1023 4.116,1024 1.395,1025 4.05,1026 4.08,1027 4.235,1028 3.965,1029 7.435,1030 3.969,1031 3.925,1032 3.957,1033 4.005,1034 3.86,1035 7.428,1036 3.852,1037 3.863,1038 3.892,1039 3.861,1040 3.841,1041 7.424,1042 3.772,1043 3.845,1044 3.87,1045 3.833,1046 3.766,1047 5.336,1048 3.765,1049 3.661,1050 3.714,1051 3.785,1052 3.502,1053 4.907,1054 3.471,1055 3.632,1056 3.677,1057 3.571,1058 3.419,1059 4.805,1060 3.451,1061 3.463,1062 3.548,1063 3.503,1064 3.267,1065 4.756,1066 3.251,1067 3.394,1068 3.455,1069 3.363,1070 3.129,1071 4.734,1072 3.163,1073 0.088,1074 0.082,1075 0.132,1076 0.081,1077 0.063,1078 4.558,1079 0.08,1080 4.25,1081 0.063,1082 6.875,1083 0.22,1084 4.227,1085 0.061,1086 3.257,1087 4.146,1088 3.272,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.047,1094 2.043,1095 1.171,1096 2.045,1097 1.914,1098 1.884,1099 2.036,1100 2.016,1101 1.132,1102 2.022,1103 1.835,1104 1.809,1105 1.949,1106 1.952,1107 1.119,1108 1.949,1109 1.63,1110 1.59,1111 1.793,1112 1.851,1113 1.038,1114 1.841,1115 1.576,1116 1.53,1117 1.715,1118 1.805,1119 0.865,1120 1.791,1121 1.488,1122 1.449,1123 1.625,1124 1.766,1125 0.824,1126 1.727,1127 1.454,1128 1.403,1129 1.573,1130 1.631,1131 0.711,1132 1.655,1133 1.297,1134 1.238,1135 1.552,1136 1.588,1137 0.626,1138 1.579,1139 4.654,1140 5.964,1141 2.398,1142 7.442,1143 4.727,1144 9.004,1145 6.843,1146 10.614,1147 3.567,1150 10.772,1152 1.618,1153 8.333,1154 5.817,1155 1.621,1156 -1.203,1157 1.479,1159 54.274,1160 144.609,1161 344.993,1162 442.599,1163 489.618,1164 501.618,1165 501.618,1166 114.57,1167 8.918,1168 189.42,1169 242.96,1170 30,1171 12.969,1172 4.858,1173 4.129,1174 85.219,1175 316,1176 402,1177 0.124,1178 342.908,1179 603,1180 828.455,1181 134079,1183 34.045,1184 0.709,1185 0.582,1186 34.752,1187 27.937,1188 23.156,1189 0.445,1190 0.325,1191 14.82,1192 21.319,1193 14.248,1194 11.84,1195 24.11,1196 16.901,1197 20.992,1198 0.296,1199 0.177,1200 22.068,1201 12.581,1202 16.494,1203 0.185,1204 0.098,1205 17.709,1206 8.723,1207 13.812,1208 0.119,1209 0.054,1210 15.125,1211 6.316,1212 10.791,1213 0.076,1214 0.03,1215 11.898,1216 4.221,1217 0.203,1218 154.812,1219 0.17,1220 42.568,1221 0.317,1222 246,1223 770.866,1224 315.424,1225 786.394,1226 1058.44,1227 734,1228 283,1229 738.008,1230 342.694,1231 770.794,1232 1121.65,1233 721,1234 5.268}
{0 CHEMBL30195,1 1.484,2 18.84,3 6.13,4 37.574,5 194.736,6 7.159,7 0.436,8 4.623,9 4.748,10 4.155,11 4.164,12 5.683,13 4.137,14 5.175,15 5.354,16 4.496,17 4.555,18 6.217,19 4.499,20 5.481,21 5.698,22 4.605,23 4.726,24 6.487,25 4.647,26 5.538,27 5.772,28 4.624,29 4.721,30 6.562,31 4.644,32 5.537,33 5.749,34 4.7,35 4.756,36 6.717,37 4.693,38 5.587,39 5.802,40 4.715,41 4.779,42 6.725,43 4.712,44 5.613,45 5.841,46 4.617,47 4.749,48 6.702,49 4.671,50 5.552,51 5.78,52 4.58,53 4.691,54 6.697,55 4.611,56 0.047,57 1.367,58 19.943,59 8.552,60 11.924,61 11.537,62 0.478,63 2.234,64 37.662,65 14.162,66 45.35,67 19.749,68 0.707,69 2.833,70 54.076,71 19.093,72 82.975,73 26.785,74 0.646,75 2.909,76 58.441,77 19.89,78 86.993,79 28.259,80 0.96,81 2.945,82 57.732,83 19.451,84 148.232,85 27.302,86 0.752,87 3.069,88 60.662,89 20.782,90 117.42,91 28.991,92 0.834,93 3.044,94 63.944,95 20.628,96 126.509,97 28.62,98 0.867,99 2.843,100 60.068,101 20.013,102 148.16,103 27.788,104 17,105 74,106 0.217,107 0.517,108 0.709,109 0.846,110 0.884,111 0.888,112 3.934,113 0.945,114 -5.27,115 -5.16,116 -4.83,117 42.6,118 1,119 4,122 6,125 1,132 17,133 4,134 3,140 1,141 2,142 1,150 21,152 1,153 10,156 4,157 1,158 3,161 22,165 3,166 10,169 3,171 2,174 13,177 1,178 13,181 2,183 6,185 11,188 4,189 13,191 3,193 8,195 15,198 2,199 13,202 2,203 1,204 12,206 12,209 1,210 19,215 9,217 9,220 1,221 17,223 2,224 1,225 8,227 8,230 1,231 13,234 1,236 3,239 16,243 7214,244 34.275,245 34.275,246 34.275,247 34.275,248 34.275,249 30.776,250 42.564,251 20.916,252 34.77,253 27.27,254 27.27,255 27.27,256 27.27,257 27.27,258 21.936,259 58.839,260 10.088,261 28.05,262 5.07,263 3.014,264 1.704,265 0.765,266 0.505,267 0.476,268 4.646,272 1,273 2060,274 4.583,276 839.079,277 168.115,280 272.764,282 2.573,283 51.134,285 0.75,286 0.33,287 0.67,288 0.7,289 0.5,290 0.67,291 0.5,292 0.59,293 107,294 942,295 4.562,296 3.934,297 6.911,298 4.241,299 3.274,300 4.137,301 2.072,302 11.616,303 3.168,304 4.092,305 3.588,306 6.361,307 3.795,308 2.814,309 3.676,310 1.946,311 9.599,312 2.754,313 4.086,314 3.515,315 5.951,316 3.72,317 2.755,318 3.662,319 1.653,320 8.376,321 2.663,322 4.065,323 3.188,324 5.684,325 3.688,326 2.715,327 3.539,328 0.916,329 8.011,330 2.644,331 3.88,332 3.06,333 5.58,334 3.536,335 2.561,336 3.187,337 0.86,338 7.643,339 2.494,340 3.67,341 2.823,342 5.327,343 3.393,344 2.462,345 2.894,346 0.854,347 6.945,348 2.331,349 3.566,350 2.804,351 5.292,352 3.34,353 2.34,354 2.764,355 0.52,356 6.545,357 2.288,358 3.556,359 2.73,360 5.001,361 3.204,362 2.208,363 2.713,364 0.222,365 5.947,366 2.183,367 3.386,368 2.33,369 4.913,370 2.976,371 2.02,372 2.658,373 0.172,374 5.576,375 1.927,376 3.238,377 2.259,378 4.851,379 2.95,380 1.982,381 2.387,382 0.148,383 5.541,384 1.906,385 3.181,386 2.138,387 4.592,388 2.77,389 1.775,390 2.346,391 0.029,392 4.79,393 1.758,394 2.957,395 1.933,396 4.235,397 2.581,398 1.6,399 2.113,401 3.628,402 1.564,403 2.776,404 1.829,405 4.01,406 2.51,407 1.524,408 1.896,410 3.264,411 1.497,412 2.719,413 1.71,414 3.705,415 2.389,416 1.411,417 1.788,419 3.092,420 1.375,421 2.661,422 1.512,423 3.603,424 2.316,425 1.317,426 1.733,428 3.03,429 1.316,430 23.733,431 0.475,432 1.006,433 0.02,434 63.75,435 1.275,436 31.5,437 0.63,438 32.25,439 0.645,440 50.437,441 1.009,442 53.667,443 0.571,444 61.205,445 1.224,446 12.712,447 0.254,448 11.712,449 0.234,450 0.063,452 0.287,454 0.756,455 1.34,456 0.823,457 1.105,458 0.562,459 0.987,460 0.789,461 1.129,462 0.953,463 1.047,464 0.561,465 1.02,466 1.046,467 1.046,468 1.004,469 0.998,470 0.963,471 0.994,472 1.104,473 1.06,474 0.908,475 0.952,476 1.058,477 0.908,478 1.118,479 1.048,480 0.968,481 0.963,482 1.107,483 0.943,484 1.179,485 1.157,486 0.985,487 1.074,488 1.351,489 1.012,490 1.596,491 1.028,492 1.121,493 0.967,494 1.597,495 0.975,496 1.367,497 1.018,498 1.03,499 0.981,500 1.42,501 0.964,502 8.5,503 0.311,504 3.778,505 3.375,506 2.679,507 1.74,508 1.26,509 0.901,510 0.596,511 0.415,512 53446,513 121390,514 2.12,515 46.8,516 5,517 29,518 1,520 3,522 4,523 2,524 1.853,525 2.027,526 4.099,527 0.62,530 139.529,531 1.484,532 3.541,533 4.851,534 5.79,535 6.049,536 6.078,537 3.559,538 5.364,539 5.609,540 4.356,541 5335.53,542 9.987,543 113418,546 616.131,547 1.218,548 5.594,549 0.155,550 0.005,551 0.051,552 0.042,553 0.033,554 0.02,555 0.014,556 0.012,557 0.008,558 0.006,559 0.345,560 0.17,561 0.5,562 0.404,563 304.729,564 -0.028,565 -0.141,566 0.053,567 -0.036,568 -0.026,569 0.011,570 0.123,571 0.009,572 -0.016,573 -0.041,574 0.068,575 -0.049,576 0.022,577 0.006,578 -0.02,579 -0.017,580 -0.025,581 -0.027,582 0.009,583 -0.046,584 0.095,585 0.017,586 0.029,587 0.06,588 0.135,589 0.001,590 0.038,591 0.004,592 0.186,593 0.008,594 0.058,595 -0.126,596 0.021,597 -0.102,598 0.041,599 -0.055,600 -0.181,601 -0.021,602 -0.086,603 -0.016,604 -0.112,605 -0.032,606 -0.008,607 -0.026,608 -0.001,609 -0.018,610 0.081,611 -0.009,612 2.616,613 7.122,614 0.7,615 85.314,616 0.997,617 1.125,618 4.042,619 16.337,620 0.663,621 4.025,622 4.317,623 4.564,624 4.844,625 5.094,626 5.182,627 5.323,628 5.468,629 5.553,630 5.635,631 10.813,632 0.628,633 672.9,634 4.025,635 5.557,636 6.392,637 7.258,638 8.112,639 8.988,640 9.853,641 10.735,642 11.609,643 12.496,644 6.4,647 1,649 4,651 1,654 17,658 7,660 24,661 1,667 1,669 94,670 28,671 4,672 55,673 99,674 40,675 24,676 7,677 17,678 1,679 6,680 7,683 1,684 1,685 3,687 4,688 28,689 12,691 4,692 3,694 1,695 4,699 44,700 10,701 3,702 10,705 6,706 0.833,707 4,713 5,714 1,717 1,719 1,720 1,727 1,731 5,734 1,737 50,740 10,741 3,742 1,744 1,745 2,749 4.3,752 3,754 1,755 24.667,756 16.767,757 11.083,758 5.818,759 3.583,760 1.4,761 0.987,762 12.195,763 12.543,764 4.277,765 4.796,766 5.288,767 5.824,768 6.34,769 6.49,770 6.83,771 7.164,772 7.429,773 7.706,774 1,775 80,776 18.694,777 8.009,778 7.693,779 35.837,780 29.461,781 2.193,782 109.667,785 482.615,786 235.122,787 77.066,789 86.435,792 235.122,793 569.05,794 77.066,795 8.825,796 82.416,797 161.096,798 87.601,799 54.409,800 16.047,801 470.844,803 482.615,804 312.188,805 86.435,807 411.989,808 157.061,810 111.151,811 201.037,814 482.615,815 163.501,816 235.122,817 482.615,818 65.2,819 176.17,820 54.032,821 103.22,822 482.615,823 163.501,824 235.122,825 0.569,826 0.324,827 0.183,828 0.105,829 32,830 14,831 0.121,832 12,833 1,834 1.057,835 5.777,836 536.129,837 0.057,838 35,839 272.193,841 35.186,842 17.33,843 9.75,845 163.501,846 32.395,850 5.614,852 54.032,853 881.238,854 71,855 40.587,857 4.781,858 -0.901,859 93.708,860 105.716,861 0.226,862 0.54,863 0.74,864 0.883,865 0.923,866 0.927,867 5.505,868 2.208,869 6.347,870 6.545,871 5.004,872 5.485,873 3.186,874 7.117,875 4.948,876 6.671,877 2.02,878 7.871,879 5.947,880 4.443,881 5.085,882 2.53,883 7.919,884 4.362,885 7.946,886 1.982,887 9.497,888 5.576,889 6.547,890 7.54,891 4.057,892 11.06,893 6.429,894 9.251,895 1.775,896 11.187,897 5.541,898 6.825,899 7.945,900 4.115,901 12.761,902 6.677,903 10.59,904 1.6,905 12.922,906 4.79,907 8.364,908 9.874,909 5.216,910 15.417,911 8.184,912 11.952,913 1.524,914 14.689,915 3.628,916 9.062,917 10.687,918 5.583,919 17.521,920 8.849,921 13.333,922 1.411,923 16.481,924 3.264,925 10.357,926 12.37,927 6.495,928 20.019,929 10.115,930 3.274,931 1.317,932 18.293,933 3.092,934 11.276,935 13.414,936 7.017,937 22.308,938 10.999,939 2.814,940 11.616,941 20.121,942 3.03,943 12.47,944 14.965,945 7.832,946 24.759,947 12.164,948 2.755,949 9.599,950 21.964,951 4.137,952 13.505,953 16.148,954 8.437,955 27.131,956 13.163,957 2.715,958 8.376,959 23.818,960 3.676,961 14.662,962 17.627,963 9.202,964 29.571,965 14.291,966 2.561,967 8.011,968 25.682,969 3.662,970 15.758,971 18.894,972 9.854,973 31.982,974 15.351,975 2.462,976 7.643,977 27.554,978 3.539,979 16.909,980 20.333,981 10.593,982 34.423,983 16.47,984 2.34,985 6.945,986 29.435,987 3.187,988 18.038,989 21.653,990 11.272,991 36.852,992 17.565,993 49586,994 75178,995 37.561,996 62.319,997 81.642,998 83.567,999 82.502,1000 80.51,1001 80.459,1002 102.042,1003 18.788,1004 221.59,1005 78.385,1006 5.562,1007 5.934,1008 6.713,1009 5.313,1010 5.274,1011 7.137,1012 3.598,1013 19.23,1014 5.168,1015 19.905,1016 1.484,1017 1.519,1018 1.5,1019 1.464,1020 1.463,1021 1.855,1022 0.342,1023 4.029,1024 1.425,1025 4.059,1026 4.093,1027 4.013,1028 3.97,1029 7.437,1030 3.974,1031 3.954,1032 3.991,1033 3.885,1034 3.87,1035 7.428,1036 3.869,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.422,1042 3.844,1043 3.834,1044 3.868,1045 3.765,1046 3.766,1047 4.887,1048 3.761,1049 3.792,1050 3.846,1051 3.662,1052 3.654,1053 4.837,1054 3.646,1055 3.695,1056 3.751,1057 3.602,1058 3.506,1059 4.753,1060 3.52,1061 3.624,1062 3.673,1063 3.548,1064 3.411,1065 4.678,1066 3.436,1067 3.467,1068 3.517,1069 3.356,1070 3.239,1071 4.402,1072 3.263,1073 0.083,1074 0.072,1075 0.126,1076 0.077,1077 0.06,1078 4.562,1079 0.075,1080 3.934,1081 0.038,1082 6.911,1083 0.211,1084 4.241,1085 0.058,1086 3.274,1087 4.137,1088 2.072,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.042,1101 1.199,1102 2.048,1103 1.914,1104 1.884,1105 2.037,1106 2.018,1107 1.172,1108 2.022,1109 1.84,1110 1.809,1111 1.985,1112 1.963,1113 1.132,1114 1.966,1115 1.789,1116 1.731,1117 1.961,1118 1.941,1119 1.127,1120 1.951,1121 1.655,1122 1.598,1123 1.881,1124 1.858,1125 1.046,1126 1.868,1127 1.568,1128 1.517,1129 1.709,1130 1.808,1131 0.873,1132 1.787,1133 1.38,1134 1.329,1135 1.581,1136 1.639,1137 0.825,1138 1.626,1139 4.71,1140 6.009,1142 7.494,1143 2.708,1144 9.065,1145 5.46,1146 10.684,1147 1.928,1152 8.198,1153 8.462,1154 6.006,1156 -1.283,1157 3.88,1159 58.997,1160 139.529,1161 332.854,1162 455.973,1163 544.215,1164 568.622,1165 571.376,1166 112.756,1167 8.96,1168 115.37,1169 115.37,1170 37,1171 13.03,1172 4.858,1173 4.087,1174 80.47,1175 310,1176 398,1177 0.116,1178 360.016,1179 641.72,1180 870.199,1181 134047,1183 34.71,1184 0.694,1185 0.569,1186 34.71,1187 28.438,1188 24.424,1189 0.444,1190 0.315,1191 17.114,1192 23.638,1193 16.748,1194 13.893,1195 24.424,1196 17.318,1197 21.525,1198 0.291,1199 0.172,1200 21.525,1201 12.692,1202 17.476,1203 0.184,1204 0.092,1205 17.476,1206 8.766,1207 14.948,1208 0.119,1209 0.05,1210 14.948,1211 6.326,1212 12.37,1213 0.076,1214 0.027,1215 12.37,1216 4.42,1217 0.188,1218 152.012,1219 0.163,1220 43.523,1221 0.305,1222 258,1223 710.876,1224 281.119,1225 688.123,1226 939.86,1227 646,1228 298,1229 684.378,1230 321.208,1231 693.322,1232 1013.38,1233 654,1234 5.244}
{0 CHEMBL30430,1 1.725,2 19.761,3 3.453,4 11.924,5 180.811,6 8.302,7 0.46,8 4.468,9 4.591,10 4.165,11 4.046,12 5.642,13 4.008,14 4.96,15 5.119,16 4.515,17 4.418,18 6.152,19 4.35,20 5.209,21 5.398,22 4.58,23 4.542,24 6.363,25 4.475,26 5.286,27 5.483,28 4.662,29 4.584,30 6.456,31 4.5,32 5.329,33 5.53,34 4.609,35 4.583,36 6.559,37 4.515,38 5.342,39 5.555,40 4.528,41 4.579,42 6.473,43 4.486,44 5.329,45 5.549,46 4.47,47 4.506,48 6.489,49 4.412,50 5.251,51 5.484,52 4.377,53 4.428,54 6.453,55 4.316,56 0.118,57 1.261,58 14.903,59 6.821,60 19.428,61 8.168,62 0.538,63 1.989,64 32.555,65 12.209,66 48.332,67 14.836,68 0.668,69 2.362,70 40.228,71 14.104,72 84.819,73 17.604,74 0.628,75 2.478,76 50.287,77 17.325,78 90.497,79 20.769,80 0.896,81 2.556,82 48.59,83 15.924,84 119.783,85 19.594,86 0.616,87 2.513,88 48.818,89 17.817,90 86.839,91 22.433,92 0.795,93 2.422,94 50.274,95 16.325,96 118.645,97 20.375,98 0.899,99 2.189,100 52.353,101 17.317,102 132.386,103 21.295,104 39,105 68,106 0.26,107 0.609,108 0.765,109 0.851,110 0.886,111 0.891,112 3.853,113 0.981,114 -4.44,115 -4.37,116 -4.11,117 40.5,119 1,121 1,122 3,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 2,142 2,144 1,145 2,146 2,147 2,150 15,152 2,153 7,155 2,156 6,157 2,158 3,160 2,161 17,164 1,165 2,166 7,169 2,171 4,174 11,177 1,178 12,180 2,181 3,183 10,185 8,187 2,188 2,189 12,191 2,193 7,195 9,199 12,202 2,203 1,204 9,206 8,210 13,215 8,217 6,219 2,220 2,221 12,223 3,224 1,225 4,227 6,231 7,236 2,239 14,243 5336,244 30.999,245 30.999,246 30.999,247 30.999,248 30.999,249 27.37,250 38.395,251 18.721,252 31.871,253 24.75,254 24.75,255 24.75,256 24.75,257 24.75,258 19.203,259 53.622,260 9.002,261 26.115,262 4.579,263 2.264,264 1.229,265 0.655,266 0.424,267 0.389,268 4.554,273 1964,274 4.848,275 155.974,276 456.431,277 155.106,280 260.881,282 3.194,283 51.357,285 0.25,286 0.33,287 0.33,288 0.3,290 0.17,292 0.2,293 99.5,294 909,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.164,305 3.906,306 6.31,307 3.78,308 2.798,309 3.791,310 2.062,311 9.331,312 2.744,313 4.119,314 3.614,315 5.941,316 3.731,317 2.763,318 3.696,319 1.987,320 8.334,321 2.706,322 4.049,323 3.532,324 5.679,325 3.645,326 2.744,327 3.53,328 1.653,329 7.971,330 2.503,331 3.89,332 3.188,333 5.675,334 3.552,335 2.58,336 3.173,337 1.2,338 7.965,339 2.44,340 3.705,341 3.022,342 5.31,343 3.391,344 2.401,345 2.934,346 0.85,347 6.826,348 2.367,349 3.634,350 2.802,351 5.137,352 3.157,353 2.244,354 2.913,355 0.488,356 6.084,357 2.126,358 3.526,359 2.757,360 5.03,361 3.141,362 2.153,363 2.748,364 0.324,365 5.988,366 2.028,367 3.394,368 2.736,369 4.849,370 2.962,371 1.994,372 2.664,373 0.219,374 5.478,375 1.924,376 3.16,377 2.28,378 4.608,379 2.764,380 1.805,381 2.346,382 0.129,383 4.834,384 1.744,385 3.043,386 2.26,387 4.338,388 2.627,389 1.744,390 2.153,391 0.03,392 4.341,393 1.532,394 2.957,395 2.188,396 4.201,397 2.541,398 1.554,399 2.116,401 3.53,402 1.498,403 2.776,404 1.899,405 4.003,406 2.382,407 1.476,408 1.896,410 3.198,411 1.318,412 2.669,413 1.7,414 3.665,415 2.317,416 1.317,417 1.738,419 3.088,420 1.313,421 2.609,422 1.686,423 3.602,424 2.185,425 1.192,426 1.597,428 2.876,429 1.18,430 22.267,431 0.484,432 1.082,433 0.024,434 61,435 1.326,436 31,437 0.674,438 30,439 0.652,440 43.922,441 0.955,442 48.533,443 0.614,444 54.761,445 1.19,446 11.878,447 0.258,448 10.384,449 0.226,450 0.103,452 0.31,454 0.843,455 1.205,456 0.75,457 0.872,458 0.696,459 0.847,460 0.543,461 1.067,462 1.033,463 1.127,464 0.515,465 0.997,466 1.121,467 1.027,468 0.937,469 0.929,470 1.089,471 0.972,472 1.049,473 1.115,474 0.904,475 1.034,476 1.076,477 0.99,478 1.247,479 1.027,480 1.015,481 0.978,482 1.171,483 1.001,484 1.036,485 1.089,486 0.942,487 1.06,488 1.05,489 1.083,490 1.459,491 1.008,492 0.999,493 0.961,494 1.5,495 1.029,496 1.056,497 0.868,498 1.04,499 0.982,500 1.128,501 0.932,502 9,503 0.229,504 3.778,505 3.632,506 2.471,507 1.688,508 1.043,509 0.727,510 0.487,511 0.385,512 45274,513 135021,514 2.067,515 41.8,517 22,518 2,520 7,521 2,524 1.827,525 1.944,526 4.15,527 3.639,530 136.249,531 1.725,532 4.04,533 5.074,534 5.648,535 5.88,536 5.914,537 3.608,538 5.219,539 5.491,540 4.442,541 4597.79,542 9.708,543 96458.5,546 497.999,547 1.371,548 5.458,549 0.18,550 0.004,551 0.056,552 0.05,553 0.033,554 0.023,555 0.015,556 0.012,557 0.009,558 0.008,559 0.391,561 0.5,562 0.744,563 278.129,564 -0.122,565 -0.038,566 0.04,567 0.078,568 -0.108,569 0.06,570 0.262,571 0.062,572 -0.033,573 -0.076,574 0.116,575 -0.046,576 -0.088,577 0.021,578 -0.063,579 -0.009,580 -0.109,581 -0.041,582 0.002,583 -0.12,584 0.071,585 -0.038,586 0.012,587 -0.012,588 -0.071,589 -0.006,590 -0.103,591 -0.058,592 -0.005,593 -0.07,594 -0.03,595 -0.133,596 -0.054,597 -0.126,598 -0.021,599 -0.101,600 -0.224,601 -0.06,602 -0.074,603 -0.038,604 -0.16,605 -0.067,606 0.1,607 0.053,608 0.013,609 0.036,610 0.127,611 0.083,612 2.491,613 6.398,614 0.609,615 76.043,616 1.008,617 1.126,618 3.206,619 10.276,620 0.694,621 3.932,622 4.234,623 4.466,624 4.736,625 4.927,626 5.037,627 5.153,628 5.231,629 5.278,630 5.357,631 11.413,632 0.659,633 655.88,634 3.932,635 5.468,636 6.301,637 7.169,638 8.021,639 8.898,640 9.76,641 10.641,642 11.51,643 12.394,644 11.4,645 2,649 4,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 79,670 28,671 3,672 50,673 83,674 32,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,687 1,688 26,689 6,691 5,692 3,694 2,695 5,699 33,700 12,701 7,702 14,703 2,705 9,706 0.8,707 3,712 1,713 3,714 1,717 1,719 1,720 1,725 2,731 4,732 1,733 2,734 1,737 46,738 2,740 4,741 3,743 1,744 1,745 1,747 1,749 3.8,752 3,755 23.667,756 14.05,757 10.167,758 4.276,759 4.201,760 1.48,761 0.993,762 11.552,763 12.961,764 4.212,765 4.76,766 5.261,767 5.815,768 6.261,769 6.47,770 6.8,771 7.065,772 7.283,773 7.569,774 0.923,775 72,776 17.056,777 7.269,778 7.859,779 31.981,780 25.773,781 2.359,782 108.5,785 306.049,786 245.842,787 173.308,789 75.435,791 63.497,792 182.345,793 381.483,794 173.308,795 8.396,796 129.391,797 130.84,798 104.386,799 51.899,800 29.717,801 346.004,803 306.049,804 355.652,805 75.435,806 63.497,807 306.049,808 75.435,810 166.219,811 172.648,812 16.786,813 63.497,814 306.049,815 248.742,816 245.842,817 306.049,818 106.606,819 142.361,820 54.032,821 191.586,822 306.049,823 248.742,824 245.842,825 0.573,826 0.322,827 0.181,828 0.098,829 29,830 14,831 0.133,832 11,833 1,834 1.071,835 5.533,836 460.486,837 0.071,838 28,839 246.084,840 2,841 33.29,842 15.962,843 9.243,845 248.742,846 25.931,847 4.339,849 1.365,850 4.902,852 119.827,853 800.633,854 66.5,855 39.044,857 8.64,858 -0.539,859 79.654,860 88.935,861 0.274,862 0.641,863 0.805,864 0.896,865 0.933,866 0.938,867 5.441,868 2.153,869 6.271,870 6.084,871 4.92,872 5.449,873 3.817,874 7.048,875 4.827,876 6.632,877 1.994,878 7.805,879 5.988,880 4.443,881 5.121,882 2.568,883 7.87,884 4.336,885 7.92,886 1.805,887 9.439,888 5.478,889 6.475,890 7.543,891 5.667,892 10.993,893 6.306,894 9.239,895 1.744,896 11.135,897 4.834,898 6.815,899 8.011,900 4.153,901 12.684,902 6.629,903 10.589,904 1.554,905 12.872,906 4.341,907 8.305,908 9.9,909 7.882,910 15.329,911 8.072,912 11.96,913 1.476,914 14.64,915 3.53,916 9.039,917 10.765,918 5.621,919 17.41,920 8.786,921 13.348,922 1.317,923 16.432,924 3.198,925 10.307,926 12.412,927 10.203,928 19.897,929 10.018,930 3.254,931 1.192,932 18.242,933 3.088,934 11.243,935 13.497,936 7.056,937 22.161,938 10.929,939 2.798,940 11.429,941 20.068,942 2.876,943 12.421,944 15.019,945 12.558,946 24.599,947 12.077,948 2.763,949 9.331,950 21.906,951 4.133,952 13.461,953 16.231,954 8.48,955 26.949,956 13.091,957 2.744,958 8.334,959 23.756,960 3.791,961 14.608,962 17.689,963 14.923,964 29.375,965 14.21,966 2.58,967 7.971,968 25.615,969 3.696,970 15.703,971 18.975,972 9.898,973 31.766,974 15.277,975 2.401,976 7.965,977 27.482,978 3.53,979 16.845,980 20.4,981 17.292,982 34.191,983 16.393,984 2.244,985 6.826,986 29.357,987 3.173,988 17.97,989 21.731,990 11.316,991 36.603,992 17.489,993 42720,994 73997,995 33.402,996 54.847,997 75.013,998 79.624,999 75.898,1000 73.459,1001 73.532,1002 95.791,1003 24.428,1004 204.592,1005 69.987,1006 5.502,1007 6.25,1008 6.675,1009 5.366,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 24.13,1016 1.5,1017 1.592,1018 1.518,1019 1.469,1020 1.471,1021 1.916,1022 0.489,1023 4.092,1024 1.4,1025 4.047,1026 4.079,1027 4.235,1028 3.965,1029 7.435,1030 3.967,1031 3.942,1032 3.973,1033 4,1034 3.873,1035 7.427,1036 3.868,1037 3.859,1038 3.887,1039 3.887,1040 3.841,1041 7.424,1042 3.77,1043 3.829,1044 3.862,1045 3.819,1046 3.764,1047 5.336,1048 3.758,1049 3.656,1050 3.708,1051 3.758,1052 3.493,1053 4.878,1054 3.466,1055 3.609,1056 3.66,1057 3.579,1058 3.419,1059 4.804,1060 3.437,1061 3.458,1062 3.545,1063 3.458,1064 3.264,1065 4.738,1066 3.249,1067 3.392,1068 3.452,1069 3.363,1070 3.133,1071 4.681,1072 3.166,1073 0.091,1074 0.085,1075 0.137,1076 0.084,1077 0.065,1078 4.553,1079 0.083,1080 4.25,1081 0.065,1082 6.873,1083 0.229,1084 4.224,1085 0.063,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.041,1095 1.183,1096 2.047,1097 1.924,1098 1.897,1099 2.035,1100 2.028,1101 1.169,1102 2.03,1103 1.837,1104 1.806,1105 1.961,1106 1.946,1107 1.107,1108 1.948,1109 1.623,1110 1.583,1111 1.782,1112 1.837,1113 1.036,1114 1.828,1115 1.576,1116 1.529,1117 1.715,1118 1.793,1119 0.859,1120 1.788,1121 1.478,1122 1.435,1123 1.622,1124 1.764,1125 0.824,1126 1.726,1127 1.454,1128 1.402,1129 1.559,1130 1.627,1131 0.705,1132 1.646,1133 1.305,1134 1.249,1135 1.546,1136 1.574,1137 0.613,1138 1.569,1139 4.615,1140 5.922,1141 2.398,1142 7.401,1143 4.727,1144 8.963,1145 6.843,1146 10.573,1147 1.664,1150 10.758,1152 2.02,1153 8.396,1155 1.635,1156 -1.157,1157 1.501,1159 52.033,1160 136.249,1161 319.164,1162 400.873,1163 446.224,1164 464.489,1165 467.244,1166 106.946,1167 8.76,1168 180.19,1169 233.73,1170 30,1171 12.931,1172 4.858,1173 4.129,1174 80.007,1175 316,1176 364,1177 0.118,1178 329.319,1179 576.91,1180 795.299,1181 113249,1183 32.468,1184 0.706,1185 0.578,1186 33.175,1187 26.606,1188 22.262,1189 0.445,1190 0.327,1191 14.304,1192 20.553,1193 13.787,1194 11.438,1195 23.216,1196 16.352,1197 20.017,1198 0.294,1199 0.179,1200 21.092,1201 12.139,1202 15.835,1203 0.184,1204 0.1,1205 17.05,1206 8.567,1207 13.47,1208 0.119,1209 0.055,1210 14.783,1211 6.263,1212 10.452,1213 0.076,1214 0.031,1215 11.559,1216 4.213,1217 0.196,1218 148.54,1219 0.173,1220 41.34,1221 0.299,1222 236,1223 715.131,1224 301.881,1225 739.863,1226 997.15,1227 690,1228 272,1229 694.554,1230 327.874,1231 728.801,1232 1060.52,1233 683,1234 6.252}
{0 CHEMBL30656,1 1.761,2 22.5,3 3.226,4 10.41,5 200.196,6 8.255,7 0.411,8 4.598,9 4.72,10 4.279,11 4.135,12 5.782,13 4.11,14 5.099,15 5.261,16 4.628,17 4.498,18 6.306,19 4.446,20 5.336,21 5.518,22 4.696,23 4.625,24 6.545,25 4.57,26 5.41,27 5.606,28 4.751,29 4.671,30 6.577,31 4.596,32 5.456,33 5.659,34 4.729,35 4.67,36 6.725,37 4.611,38 5.462,39 5.669,40 4.667,41 4.659,42 6.633,43 4.59,44 5.448,45 5.652,46 4.644,47 4.612,48 6.642,49 4.552,50 5.416,51 5.628,52 4.617,53 4.585,54 6.617,55 4.519,56 0.181,57 1.426,58 17.145,59 7.763,60 23.915,61 9.292,62 0.717,63 2.201,64 37.661,65 13.583,66 61.699,67 16.558,68 1.092,69 2.578,70 45.919,71 15.522,72 120.299,73 19.357,74 0.883,75 2.706,76 56.546,77 18.988,78 115.963,79 22.956,80 1.252,81 2.78,82 55.756,83 17.794,84 158.794,85 22.586,86 0.983,87 2.732,88 55.538,89 18.832,90 121.362,91 23.937,92 1.128,93 2.633,94 56.002,95 17.589,96 142.017,97 21.937,98 1.149,99 2.506,100 57.215,101 18.661,102 137.8,103 22.977,104 67,105 76,106 0.259,107 0.615,108 0.801,109 0.887,110 0.906,111 0.906,112 3.972,113 0.968,114 -3.21,115 -3.2,116 -3.07,117 38.9,118 1,121 1,122 5,125 1,132 12,133 3,134 3,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 13,152 2,153 8,155 2,156 7,157 2,158 2,160 2,161 15,164 1,165 3,166 8,169 4,170 1,171 3,174 10,177 1,178 10,180 2,181 3,183 8,185 7,187 2,188 4,189 14,191 3,193 8,195 7,198 1,199 13,202 2,204 10,206 5,209 1,210 15,213 1,215 9,217 3,219 2,220 3,221 15,223 2,225 6,227 5,230 1,231 10,234 2,236 4,239 12,243 8126,244 34.722,245 34.722,246 34.722,247 34.722,248 34.722,249 30.914,250 44.229,251 20.869,252 35.741,253 27.682,254 27.682,255 27.682,256 27.682,257 27.682,258 21.735,259 57.196,260 10.033,261 29.265,262 4.731,263 2.312,264 1.045,265 0.461,266 0.328,267 0.328,268 4.67,273 2501,274 5.477,275 181.791,276 524.127,277 180.927,280 293.539,282 3.346,283 65.927,285 0.25,286 0.33,287 0.33,288 0.7,290 0.17,292 0.25,293 114,294 1170,295 4.558,296 4.25,297 6.875,298 4.227,299 3.257,300 4.146,301 3.272,302 11.438,303 3.159,304 4.164,305 3.906,306 6.318,307 3.801,308 2.824,309 3.791,310 2.062,311 9.38,312 2.751,313 4.124,314 3.652,315 5.954,316 3.688,317 2.763,318 3.672,319 2.04,320 8.388,321 2.643,322 4.074,323 3.533,324 5.675,325 3.645,326 2.715,327 3.662,328 1.945,329 7.971,330 2.524,331 3.899,332 3.531,333 5.581,334 3.565,335 2.587,336 3.17,337 1.653,338 7.652,339 2.442,340 3.759,341 3.204,342 5.427,343 3.469,344 2.487,345 3.022,346 1.2,347 7.095,348 2.436,349 3.68,350 3.022,351 5.147,352 3.33,353 2.37,354 2.913,355 0.893,356 6.349,357 2.266,358 3.634,359 2.865,360 5.07,361 3.217,362 2.245,363 2.901,364 0.85,365 6.084,366 2.201,367 3.571,368 2.752,369 5.029,370 3.153,371 2.216,372 2.808,373 0.488,374 6.045,375 2.11,376 3.52,377 2.749,378 4.922,379 3.142,380 2.155,381 2.697,382 0.305,383 5.717,384 2.028,385 3.197,386 2.714,387 4.849,388 2.828,389 1.855,390 2.404,391 0.219,392 5.324,393 1.802,394 3.073,395 2.279,396 4.579,397 2.679,398 1.784,399 2.23,400 0.129,401 4.723,402 1.651,403 3.044,404 2.162,405 4.338,406 2.635,407 1.699,408 2.153,409 0.061,410 4.342,411 1.502,412 2.925,413 2.119,414 4.167,415 2.464,416 1.512,417 2.094,418 0.03,419 3.353,420 1.456,421 2.673,422 1.86,423 3.937,424 2.409,425 1.471,426 1.747,428 3.242,429 1.338,430 24.833,431 0.478,432 1.294,433 0.025,434 67.25,435 1.293,436 33,437 0.635,438 34.25,439 0.659,440 52.423,441 1.008,442 56.167,443 0.624,444 64.937,445 1.249,446 13.305,447 0.256,448 11.745,449 0.226,450 0.126,452 0.318,454 0.844,455 1.281,456 0.753,457 0.938,458 0.679,459 0.885,460 0.681,461 1.079,462 1.006,463 1.108,464 0.543,465 0.972,466 1.107,467 0.996,468 0.971,469 0.929,470 1.116,471 0.988,472 1.073,473 1.116,474 0.933,475 1.042,476 1.088,477 1.006,478 1.043,479 1.02,480 0.967,481 0.974,482 0.927,483 0.982,484 1.079,485 1.095,486 0.943,487 1.041,488 1.112,489 1.042,490 1.416,491 1.033,492 1.005,493 0.982,494 1.422,495 1.007,496 1.203,497 0.937,498 0.949,499 0.957,500 1.151,501 0.921,502 11,503 0.438,504 4.667,505 3.694,506 2.982,507 1.827,508 1.147,509 0.912,510 0.724,511 0.494,512 63114,513 194946,514 2.037,515 42.2,516 3,517 25,518 2,520 8,524 1.857,525 1.902,526 4.337,527 4.32,530 158.492,531 1.761,532 4.179,533 5.447,534 6.031,535 6.164,536 6.164,537 3.847,538 5.508,539 5.663,540 4.616,541 6120.45,542 10.065,543 142426,546 584.267,547 1.42,548 5.628,549 0.196,550 0.006,551 0.061,552 0.046,553 0.037,554 0.022,555 0.015,556 0.012,557 0.01,558 0.007,559 0.413,560 0.17,561 0.38,562 0.744,563 326.246,564 -0.121,565 -0.078,566 0.039,567 0.049,568 -0.103,569 0.046,570 0.177,571 0.059,572 -0.006,573 -0.045,574 0.1,575 -0.009,576 -0.031,577 0.064,578 -0.084,579 0.004,580 -0.099,581 -0.057,582 -0.058,583 -0.113,584 0.042,585 -0.035,586 -0.044,587 -0.02,588 0.032,589 -0.004,590 -0.044,591 -0.038,592 0.106,593 -0.031,594 -0.044,595 -0.123,596 -0.042,597 -0.102,598 -0.045,599 -0.065,600 -0.185,601 -0.069,602 -0.08,603 -0.052,604 -0.162,605 -0.054,606 -0.024,607 -0.001,608 0.019,609 0.013,610 0.01,611 0.065,612 2.569,613 6.515,614 0.538,615 104.842,616 1.013,617 1.13,618 1.978,619 3.913,620 0.681,621 4.043,622 4.344,623 4.554,624 4.804,625 5.004,626 5.112,627 5.236,628 5.347,629 5.451,630 5.553,631 12.694,632 0.65,633 742.97,634 4.043,635 5.58,636 6.405,637 7.269,638 8.115,639 8.986,640 9.843,641 10.72,642 11.586,643 12.467,644 11.1,645 2,649 5,651 2,652 1,654 13,655 1,657 1,658 8,660 23,661 1,667 1,669 90,670 29,671 3,672 56,673 94,674 35,675 21,676 6,677 12,678 2,679 5,680 6,682 1,683 1,684 1,688 27,689 8,691 6,692 4,694 2,695 6,699 38,700 15,701 8,702 17,703 2,705 10,706 0.8,707 5,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 2,737 52,738 2,740 5,741 4,742 1,743 1,744 1,745 1,747 1,749 5.6,752 4,754 1,755 27.333,756 16.3,757 11.5,758 4.825,759 4.112,760 1.455,761 0.977,762 14.04,763 13.144,764 4.311,765 4.85,766 5.324,767 5.853,768 6.31,769 6.522,770 6.852,771 7.144,772 7.444,773 7.748,774 0.933,775 80,776 19.314,777 8.207,778 7.929,779 35.892,780 28.566,781 2.429,782 126.333,785 353.133,786 259.303,787 191.318,789 111.58,791 63.497,792 195.806,793 464.713,794 191.318,795 17.222,796 151.565,797 121.364,798 134.236,799 68.142,800 29.717,801 393.088,803 353.133,804 387.124,805 111.58,806 63.497,807 353.133,808 111.58,810 197.219,811 173.12,812 16.786,813 63.497,814 353.133,815 302.898,816 259.303,817 353.133,818 120.717,819 141.71,820 72.043,821 227.731,822 353.133,823 302.898,824 259.303,825 0.575,826 0.319,827 0.172,828 0.095,829 31,830 16,831 0.149,832 14,833 1,834 1.071,835 5.982,836 536.097,837 0.071,838 28,839 292.423,840 2,841 38.743,842 18.844,843 11.511,845 302.898,846 23.354,847 4.312,849 1.341,850 5.115,852 137.837,853 915.334,854 73.5,855 51.263,857 8.635,858 -1.434,859 91.178,860 101.683,861 0.271,862 0.644,863 0.839,864 0.929,865 0.949,866 0.949,867 5.544,868 2.245,869 6.378,870 6.349,871 5.03,872 5.539,873 3.985,874 7.144,875 4.932,876 6.734,877 2.216,878 7.909,879 6.084,880 4.575,881 5.263,882 2.831,883 7.949,884 4.474,885 8.023,886 2.155,887 9.537,888 6.045,889 6.581,890 7.624,891 5.746,892 11.052,893 6.401,894 9.341,895 1.855,896 11.223,897 5.717,898 6.919,899 8.123,900 4.453,901 12.721,902 6.732,903 10.688,904 1.784,905 12.951,906 5.324,907 8.394,908 9.973,909 7.912,910 15.359,911 8.147,912 12.055,913 1.699,914 14.708,915 4.723,916 9.118,917 10.856,918 5.945,919 17.429,920 8.856,921 13.439,922 1.512,923 16.489,924 4.342,925 10.376,926 12.478,927 10.214,928 19.914,929 10.069,930 3.257,931 1.471,932 18.29,933 3.353,934 11.301,935 13.574,936 7.394,937 22.174,938 10.973,939 2.824,940 11.438,941 20.108,942 3.242,943 12.473,944 15.083,945 12.562,946 24.612,947 12.109,948 2.763,949 9.38,950 21.939,951 4.146,952 13.505,953 16.302,954 8.826,955 26.961,956 13.117,957 2.715,958 8.388,959 23.783,960 3.791,961 14.648,962 17.752,963 14.924,964 29.387,965 14.23,966 2.587,967 7.971,968 25.637,969 3.672,970 15.737,971 19.043,972 10.25,973 31.779,974 15.294,975 2.487,976 7.652,977 27.501,978 3.662,979 16.877,980 20.464,981 17.292,982 34.205,983 16.405,984 2.37,985 7.095,986 29.372,987 3.17,988 17.998,989 21.797,990 11.67,991 36.617,992 17.5,993 60110,994 105909,995 36.986,996 61.284,997 83.787,998 89.376,999 85.089,1000 82.17,1001 82.292,1002 105.791,1003 30.294,1004 228.279,1005 78.117,1006 5.526,1007 6.25,1008 6.647,1009 5.371,1010 5.257,1011 7.146,1012 6.545,1013 19.055,1014 5.159,1015 30.448,1016 1.496,1017 1.596,1018 1.519,1019 1.467,1020 1.47,1021 1.889,1022 0.541,1023 4.076,1024 1.395,1025 4.051,1026 4.082,1027 4.235,1028 3.965,1029 7.438,1030 3.97,1031 3.925,1032 3.958,1033 4.006,1034 3.86,1035 7.43,1036 3.852,1037 3.864,1038 3.893,1039 3.862,1040 3.841,1041 7.424,1042 3.772,1043 3.847,1044 3.872,1045 3.832,1046 3.767,1047 7.424,1048 3.766,1049 3.725,1050 3.776,1051 3.79,1052 3.524,1053 5.336,1054 3.523,1055 3.633,1056 3.678,1057 3.614,1058 3.419,1059 4.907,1060 3.453,1061 3.545,1062 3.6,1063 3.57,1064 3.385,1065 4.805,1066 3.356,1067 3.446,1068 3.532,1069 3.384,1070 3.18,1071 4.756,1072 3.207,1073 0.081,1074 0.076,1075 0.123,1076 0.075,1077 0.058,1078 4.558,1079 0.074,1080 4.25,1081 0.058,1082 6.875,1083 0.204,1084 4.227,1085 0.056,1086 3.257,1087 4.146,1088 3.272,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.047,1094 2.044,1095 1.171,1096 2.045,1097 1.914,1098 1.884,1099 2.036,1100 2.016,1101 1.132,1102 2.022,1103 1.835,1104 1.809,1105 1.949,1106 1.954,1107 1.121,1108 1.95,1109 1.65,1110 1.604,1111 1.817,1112 1.892,1113 1.039,1114 1.876,1115 1.579,1116 1.534,1117 1.717,1118 1.824,1119 0.894,1120 1.797,1121 1.545,1122 1.507,1123 1.69,1124 1.77,1125 0.833,1126 1.746,1127 1.456,1128 1.406,1129 1.607,1130 1.718,1131 0.818,1132 1.716,1133 1.415,1134 1.365,1135 1.572,1136 1.609,1137 0.663,1138 1.62,1139 4.727,1140 6.033,1141 2.398,1142 7.505,1143 4.727,1144 9.058,1145 6.843,1146 10.659,1147 3.536,1150 10.737,1152 1.152,1153 10.764,1154 5.752,1155 1.585,1156 -1.236,1157 1.456,1159 58.537,1160 158.492,1161 376.145,1162 490.228,1163 542.757,1164 554.757,1165 554.757,1166 140.349,1167 9.031,1168 218.52,1169 272.06,1170 30,1171 13.006,1172 4.907,1173 4.209,1174 96.946,1175 388,1176 480,1177 0.115,1178 369.956,1179 654.75,1180 894.452,1181 161757,1183 37.037,1184 0.712,1185 0.578,1186 37.744,1187 30.053,1188 25.05,1189 0.447,1190 0.323,1191 15.947,1192 23.075,1193 15.366,1194 12.759,1195 26.004,1196 18.063,1197 22.675,1198 0.298,1199 0.176,1200 23.75,1201 13.358,1202 17.647,1203 0.188,1204 0.098,1205 18.861,1206 9.169,1207 14.525,1208 0.12,1209 0.054,1210 15.839,1211 6.558,1212 11.444,1213 0.077,1214 0.03,1215 12.551,1216 4.375,1217 0.19,1218 167.206,1219 0.164,1220 45.666,1221 0.289,1222 264,1223 856.935,1224 337.36,1225 865.052,1226 1155.44,1227 806,1228 302,1229 799.335,1230 365.104,1231 830.774,1232 1206.29,1233 777,1234 5.963}
{0 CHEMBL30701,1 1.497,2 27.533,3 6.655,4 44.289,5 232.659,6 6.975,7 0.369,8 4.832,9 4.96,10 4.333,11 4.341,12 5.878,13 4.312,14 5.397,15 5.584,16 4.661,17 4.726,18 6.423,19 4.667,20 5.696,21 5.92,22 4.761,23 4.894,24 6.705,25 4.809,26 5.746,27 5.986,28 4.747,29 4.892,30 6.744,31 4.801,32 5.743,33 5.974,34 4.771,35 4.907,36 6.813,37 4.82,38 5.752,39 5.983,40 4.768,41 4.901,42 6.801,43 4.814,44 5.756,45 5.99,46 4.717,47 4.857,48 6.81,49 4.771,50 5.694,51 5.929,52 4.67,53 4.809,54 6.745,55 4.722,56 0.053,57 1.689,58 25.853,59 10.768,60 14.451,61 14.768,62 0.618,63 2.701,64 48.917,65 17.725,66 59.898,67 25.143,68 0.969,69 3.357,70 68.866,71 23.312,72 117.796,73 33.418,74 0.851,75 3.43,76 73.192,77 24.247,78 119.098,79 35.106,80 1.072,81 3.437,82 72.846,83 24.127,84 149.737,85 34.702,86 0.766,87 3.436,88 73.183,89 24.561,90 128.607,91 35.235,92 1.088,93 3.338,94 74.994,95 23.814,96 148.233,97 33.84,98 0.976,99 3.136,100 70.276,101 23.031,102 136.966,103 32.598,104 37,105 86,106 0.21,107 0.504,108 0.722,109 0.859,110 0.901,111 0.903,112 4.112,113 0.97,114 -4.62,115 -4.54,116 -4.27,117 40.2,118 1,119 8,121 1,122 7,125 1,132 16,133 4,134 4,140 1,141 3,142 1,150 22,152 1,153 13,156 5,157 1,158 5,161 22,165 3,166 13,169 3,171 4,174 13,177 1,178 15,181 2,183 8,185 11,188 4,189 16,191 2,193 10,195 15,198 1,199 16,204 11,206 11,209 1,210 21,213 2,214 1,215 8,217 9,220 2,221 17,223 1,225 5,227 12,230 2,231 9,234 3,236 3,239 23,243 12020,244 40.827,245 40.827,246 40.827,247 40.827,248 40.827,249 37.201,250 53.336,251 25.004,252 41.485,253 32.182,254 32.182,255 32.182,256 32.182,257 32.182,258 26.468,259 69.068,260 12.058,261 33.181,262 5.374,263 3.281,264 1.732,265 0.758,266 0.457,267 0.44,268 4.819,273 3577,274 5.612,276 1134.34,277 222.101,280 358.017,282 3.996,283 64.696,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 129.5,294 1652,295 4.558,296 3.906,297 6.875,298 4.227,299 3.257,300 4.146,301 2.062,302 11.438,303 3.159,304 4.124,305 3.607,306 6.318,307 3.801,308 2.824,309 3.676,310 2.03,311 9.38,312 2.751,313 4.086,314 3.574,315 5.954,316 3.72,317 2.755,318 3.672,319 1.907,320 8.388,321 2.663,322 4.074,323 3.533,324 5.684,325 3.688,326 2.715,327 3.662,328 1.653,329 8.011,330 2.643,331 3.899,332 3.204,333 5.581,334 3.564,335 2.586,336 3.17,337 0.916,338 7.652,339 2.524,340 3.732,341 3.06,342 5.427,343 3.409,344 2.462,345 3.019,346 0.892,347 7.093,348 2.389,349 3.659,350 2.866,351 5.327,352 3.397,353 2.445,354 2.829,355 0.86,356 6.945,357 2.353,358 3.615,359 2.823,360 5.105,361 3.382,362 2.381,363 2.818,364 0.85,365 6.121,366 2.288,367 3.564,368 2.749,369 5.035,370 3.267,371 2.283,372 2.792,373 0.488,374 6.092,375 2.228,376 3.554,377 2.714,378 4.997,379 3.166,380 2.185,381 2.712,382 0.219,383 5.958,384 2.121,385 3.238,386 2.33,387 4.878,388 2.969,389 2.015,390 2.404,391 0.172,392 5.573,393 1.913,394 3.197,395 2.162,396 4.851,397 2.831,398 1.859,399 2.346,400 0.149,401 5.34,402 1.803,403 3.074,404 2.119,405 4.579,406 2.719,407 1.731,408 2.231,409 0.141,410 4.724,411 1.707,412 2.925,413 1.869,414 4.167,415 2.674,416 1.691,417 2.095,418 0.03,419 3.528,420 1.649,421 2.757,422 1.856,423 3.938,424 2.547,425 1.566,426 1.792,428 3.352,429 1.529,430 28.3,431 0.472,432 1.218,433 0.02,434 72,435 1.2,436 33.5,437 0.558,438 38.5,439 0.642,440 65.914,441 1.099,442 66.5,443 0.568,444 70.685,445 1.178,446 14.176,447 0.236,448 15.036,449 0.251,450 0.082,452 0.276,454 0.767,455 1.407,456 0.854,457 1.183,458 0.564,459 1.048,460 0.828,461 1.141,462 0.964,463 1.074,464 0.562,465 1.039,466 1.045,467 1.047,468 1.005,469 0.999,470 0.966,471 0.994,472 1.095,473 1.053,474 0.961,475 0.98,476 1.075,477 0.953,478 1.093,479 1.01,480 1,481 0.973,482 1.072,483 0.97,484 1.127,485 1.141,486 0.983,487 1.067,488 1.201,489 1.012,490 1.415,491 0.991,492 1.074,493 0.968,494 1.346,495 0.97,496 1.309,497 0.996,498 1.009,499 0.964,500 1.203,501 0.948,502 10.5,503 0.393,504 4.667,505 3.688,506 2.99,507 1.691,508 1.271,509 0.861,510 0.74,511 0.496,512 107132,513 249671,514 2.079,515 48.7,516 9,517 33,518 1,520 4,521 2,522 6,523 2,524 1.884,525 1.978,526 4.622,527 1.183,530 175.131,531 1.497,532 3.589,533 5.138,534 6.113,535 6.413,536 6.43,537 4.066,538 5.594,539 5.876,540 4.913,541 8695.61,542 10.458,543 242314,546 803.833,547 1.258,548 5.853,549 0.162,550 0.005,551 0.054,552 0.04,553 0.033,554 0.018,555 0.014,556 0.01,557 0.009,558 0.006,559 0.352,561 0.5,562 0.431,563 397.693,564 -0.03,565 -0.154,566 0.05,567 -0.052,568 -0.021,569 0.002,570 0.094,571 0.01,572 -0.005,573 -0.037,574 0.075,575 -0.039,576 0.017,577 0.002,578 -0.012,579 -0.003,580 -0.008,581 -0.012,582 -0.035,583 -0.041,584 0.039,585 0.003,586 -0.016,587 0.027,588 0.02,589 0.019,590 0.003,591 0.011,592 0.04,593 0.006,594 -0.033,595 -0.13,596 0.016,597 -0.074,598 -0.016,599 -0.028,600 -0.098,601 0.002,602 -0.042,603 -0.004,604 -0.075,605 -0.013,606 -0.053,607 -0.015,608 0.014,609 0.015,610 0.005,611 0.023,612 2.541,613 6.573,614 0.583,615 136.4,616 0.998,617 1.129,618 3.386,619 11.466,620 0.648,621 4.19,622 4.466,623 4.682,624 4.92,625 5.142,626 5.22,627 5.347,628 5.476,629 5.572,630 5.656,631 15.708,632 0.612,633 816.11,634 4.19,635 5.714,636 6.535,637 7.387,638 8.227,639 9.088,640 9.939,641 10.807,642 11.667,643 12.542,644 6,647 1,649 5,651 1,654 16,658 8,660 24,661 1,667 2,669 117,670 29,671 4,672 65,673 122,674 47,675 24,676 8,677 16,678 1,679 6,680 7,683 1,684 1,685 3,687 8,688 29,689 18,691 5,692 4,694 1,695 5,699 57,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 2,737 60,740 15,741 4,742 2,744 1,745 2,749 5.1,752 4,754 2,755 30.333,756 21.017,757 13.417,758 7.342,759 4.224,760 1.445,761 0.966,762 17.118,763 13.715,764 4.419,765 4.913,766 5.373,767 5.877,768 6.38,769 6.548,770 6.882,771 7.215,772 7.502,773 7.788,774 0.944,775 92,776 22.412,777 9.455,778 7.725,779 43.013,780 34.927,781 2.225,782 133.5,785 623.868,786 258.72,787 95.077,789 122.579,792 258.72,793 746.448,794 95.077,795 17.222,796 115.157,797 151.62,798 117.45,799 70.652,800 16.047,801 612.097,803 623.868,804 353.797,805 122.579,807 529.7,808 216.748,810 143.892,811 209.906,814 623.868,815 217.657,816 258.72,817 623.868,818 89.879,819 175.09,820 72.043,821 139.365,822 623.868,823 217.657,824 258.72,825 0.567,826 0.318,827 0.171,828 0.095,829 34,830 16,831 0.156,832 19,833 1,834 1.057,835 6.816,836 632.078,837 0.057,838 35,839 348.413,841 44.499,842 23.081,843 14.012,845 217.657,846 30.188,850 6.152,852 72.043,853 1100.24,854 82,855 51.594,857 4.766,858 -0.723,859 116.766,860 132.125,861 0.218,862 0.522,863 0.748,864 0.89,865 0.933,866 0.936,867 5.645,868 2.381,869 6.485,870 6.945,871 5.153,872 5.602,873 3.476,874 7.228,875 5.094,876 6.801,877 2.283,878 7.996,879 6.121,880 4.575,881 5.231,882 2.802,883 7.98,884 4.496,885 8.07,886 2.185,887 9.608,888 6.092,889 6.676,890 7.635,891 4.387,892 11.099,893 6.553,894 9.37,895 2.015,896 11.282,897 5.958,898 6.929,899 8.069,900 4.417,901 12.746,902 6.782,903 10.703,904 1.859,905 13,906 5.573,907 8.462,908 9.957,909 5.565,910 15.385,911 8.28,912 12.059,913 1.731,914 14.75,915 5.34,916 9.133,917 10.79,918 5.901,919 17.443,920 8.923,921 13.433,922 1.691,923 16.526,924 4.724,925 10.422,926 12.446,927 6.849,928 19.927,929 10.18,930 3.257,931 1.566,932 18.321,933 3.528,934 11.316,935 13.504,936 7.342,937 22.182,938 11.044,939 2.824,940 11.438,941 20.134,942 3.352,943 12.501,944 15.039,945 8.185,946 24.617,947 12.201,948 2.755,949 9.38,950 21.962,951 4.146,952 13.516,953 16.23,954 8.766,955 26.965,956 13.184,957 2.715,958 8.388,959 23.802,960 3.676,961 14.664,962 17.7,963 9.551,964 29.39,965 14.303,966 2.586,967 8.011,968 25.654,969 3.672,970 15.744,971 18.972,972 10.182,973 31.781,974 15.351,975 2.462,976 7.652,977 27.515,978 3.662,979 16.885,980 20.406,981 10.935,982 34.206,983 16.463,984 2.445,985 7.093,986 29.384,987 3.17,988 18.002,989 21.729,990 11.597,991 36.618,992 17.548,993 100008,994 153341,995 43.917,996 75.802,997 95.177,998 98.478,999 96.789,1000 94.177,1001 94.179,1002 116.97,1003 24.739,1004 254.975,1005 91.5,1006 5.558,1007 5.906,1008 6.705,1009 5.301,1010 5.257,1011 7.146,1012 3.665,1013 19.055,1014 5.159,1015 28.687,1016 1.464,1017 1.515,1018 1.489,1019 1.449,1020 1.449,1021 1.8,1022 0.381,1023 3.923,1024 1.408,1025 4.062,1026 4.095,1027 4.015,1028 3.971,1029 7.437,1030 3.976,1031 3.957,1032 3.994,1033 3.888,1034 3.872,1035 7.428,1036 3.871,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.85,1044 3.879,1045 3.79,1046 3.767,1047 7.424,1048 3.767,1049 3.796,1050 3.854,1051 3.674,1052 3.656,1053 4.914,1054 3.648,1055 3.789,1056 3.841,1057 3.662,1058 3.639,1059 4.842,1060 3.635,1061 3.667,1062 3.729,1063 3.573,1064 3.467,1065 4.756,1066 3.473,1067 3.632,1068 3.678,1069 3.558,1070 3.418,1071 4.734,1072 3.452,1073 0.07,1074 0.06,1075 0.106,1076 0.065,1077 0.05,1078 4.558,1079 0.064,1080 3.906,1081 0.032,1082 6.875,1083 0.176,1084 4.227,1085 0.049,1086 3.257,1087 4.146,1088 2.062,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.047,1100 2.044,1101 1.342,1102 2.045,1103 1.914,1104 1.884,1105 2.036,1106 2.016,1107 1.194,1108 2.022,1109 1.835,1110 1.809,1111 2.006,1112 1.968,1113 1.171,1114 1.979,1115 1.79,1116 1.731,1117 1.983,1118 1.951,1119 1.132,1120 1.957,1121 1.768,1122 1.71,1123 1.949,1124 1.935,1125 1.127,1126 1.945,1127 1.628,1128 1.564,1129 1.875,1130 1.856,1131 1.04,1132 1.859,1133 1.577,1134 1.53,1135 1.733,1136 1.821,1137 0.982,1138 1.798,1139 4.875,1140 6.163,1142 7.629,1143 2.708,1144 9.179,1145 5.46,1146 10.777,1147 3.576,1152 11.997,1153 11.366,1154 11.808,1156 -1.208,1157 3.984,1159 71.609,1160 175.131,1161 419.922,1162 601.146,1163 715.203,1164 750.323,1165 752.323,1166 158.736,1167 9.49,1168 153.7,1169 153.7,1170 37,1171 13.085,1172 4.907,1173 4.17,1174 108.285,1175 572,1176 614,1177 0.087,1178 439.022,1179 788.76,1180 1062.97,1181 331111,1183 42.108,1184 0.702,1185 0.579,1186 42.108,1187 34.713,1188 29.212,1189 0.449,1190 0.323,1191 20.738,1192 28.144,1193 20.275,1194 16.851,1195 29.212,1196 21.014,1197 25.553,1198 0.297,1199 0.178,1200 25.553,1201 15.276,1202 20.466,1203 0.191,1204 0.097,1205 20.466,1206 10.432,1207 16.747,1208 0.123,1209 0.054,1210 16.747,1211 7.297,1212 13.459,1213 0.079,1214 0.029,1215 13.459,1216 4.972,1217 0.147,1218 182.763,1219 0.151,1220 51.794,1221 0.21,1222 302,1223 868.68,1224 332.264,1225 829.811,1226 1120.59,1227 778,1228 344,1229 803.807,1230 373.605,1231 810.738,1232 1178.67,1233 763,1234 5.444}
{0 CHEMBL30821,1 1.732,2 22.961,3 2.761,4 7.624,5 198.314,6 8.168,7 0.418,8 4.581,9 4.707,10 4.255,11 4.137,12 5.752,13 4.103,14 5.083,15 5.248,16 4.6,17 4.508,18 6.272,19 4.442,20 5.342,21 5.54,22 4.661,23 4.631,24 6.493,25 4.566,26 5.407,27 5.608,28 4.74,29 4.671,30 6.59,31 4.589,32 5.447,33 5.653,34 4.688,35 4.672,36 6.666,37 4.604,38 5.462,39 5.681,40 4.63,41 4.667,42 6.638,43 4.576,44 5.448,45 5.672,46 4.549,47 4.595,48 6.606,49 4.507,50 5.368,51 5.6,52 4.47,53 4.52,54 6.58,55 4.423,56 0.146,57 1.417,58 17.241,59 7.684,60 22.596,61 9.396,62 0.632,63 2.212,64 37.028,65 13.613,66 57.972,67 16.967,68 0.831,69 2.619,70 47.407,71 15.857,72 109.229,73 20.279,74 0.853,75 2.724,76 56.928,77 19.03,78 119.643,79 23.271,80 1.043,81 2.795,82 55.489,83 17.709,84 141.933,85 22.429,86 0.863,87 2.762,88 56.001,89 19.661,90 129.086,91 25.494,92 0.982,93 2.662,94 58.935,95 17.867,96 141.929,97 22.947,98 0.997,99 2.394,100 56.129,101 18.47,102 150.548,103 23.495,104 52,105 74,106 0.255,107 0.598,108 0.768,109 0.858,110 0.892,111 0.896,112 3.953,113 0.983,114 -3.91,115 -3.86,116 -3.67,117 39.3,119 2,121 1,122 4,125 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 15,152 2,153 8,155 2,156 7,157 2,158 5,160 2,161 17,164 1,165 2,166 7,169 2,171 4,174 11,177 1,178 13,180 2,181 4,182 1,183 10,185 9,187 2,188 2,189 12,191 2,193 7,195 10,198 1,199 13,202 3,203 1,204 10,206 9,210 14,215 10,217 5,219 2,220 2,221 14,223 3,224 1,225 7,227 6,231 8,236 2,239 14,243 7435,244 34.275,245 34.275,246 34.275,247 34.275,248 34.275,249 30.491,250 43.034,251 20.78,252 35.184,253 27.216,254 27.216,255 27.216,256 27.216,257 27.216,258 21.367,259 57.977,260 9.992,261 28.612,262 4.743,263 2.415,264 1.266,265 0.649,266 0.421,267 0.391,268 4.652,273 2519,274 5.431,275 184.28,276 530.452,277 181.749,280 304.505,282 3.731,283 62.118,285 0.25,286 0.33,287 0.33,288 0.5,289 0.5,290 0.17,292 0.3,293 111,294 1171,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.164,305 3.906,306 6.31,307 3.78,308 2.798,309 3.791,310 2.062,311 9.331,312 2.744,313 4.119,314 3.621,315 5.941,316 3.732,317 2.763,318 3.696,319 1.987,320 8.334,321 2.706,322 4.049,323 3.567,324 5.679,325 3.645,326 2.744,327 3.53,328 1.907,329 7.971,330 2.504,331 3.89,332 3.532,333 5.675,334 3.552,335 2.581,336 3.173,337 1.653,338 7.966,339 2.44,340 3.716,341 3.188,342 5.311,343 3.423,344 2.428,345 2.939,346 1.2,347 6.828,348 2.404,349 3.649,350 3.022,351 5.138,352 3.349,353 2.349,354 2.913,355 0.85,356 6.116,357 2.336,358 3.633,359 2.801,360 5.039,361 3.15,362 2.241,363 2.828,364 0.488,365 6.08,366 2.118,367 3.519,368 2.752,369 5.027,370 3.136,371 2.14,372 2.741,373 0.324,374 5.972,375 2.028,376 3.393,377 2.741,378 4.842,379 2.959,380 1.987,381 2.661,382 0.219,383 5.46,384 1.922,385 3.156,386 2.279,387 4.604,388 2.752,389 1.791,390 2.343,391 0.149,392 4.823,393 1.738,394 3.044,395 2.26,396 4.338,397 2.637,398 1.756,399 2.153,400 0.129,401 4.342,402 1.531,403 2.957,404 2.189,405 4.201,406 2.541,407 1.553,408 2.116,409 0.03,410 3.529,411 1.505,412 2.776,413 1.899,414 4.003,415 2.43,416 1.523,417 1.896,419 3.271,420 1.363,421 2.664,422 1.701,423 3.695,424 2.317,425 1.317,426 1.735,428 3.09,429 1.316,430 24.5,431 0.48,432 1.188,433 0.023,434 65.75,435 1.289,436 32.5,437 0.637,438 33.25,439 0.652,440 50.748,441 0.995,442 54.7,443 0.615,444 61.465,445 1.205,446 12.89,447 0.253,448 11.766,449 0.231,450 0.107,452 0.302,454 0.823,455 1.252,456 0.76,457 0.912,458 0.662,459 0.878,460 0.551,461 1.099,462 1.023,463 1.141,464 0.52,465 1.022,466 1.155,467 1.017,468 0.949,469 0.917,470 1.119,471 0.963,472 1.075,473 1.081,474 0.929,475 1.022,476 1.13,477 0.996,478 1.225,479 1.032,480 1.016,481 0.979,482 1.159,483 1.002,484 0.923,485 1.078,486 0.915,487 1.045,488 0.91,489 1.058,490 1.421,491 1.023,492 1.062,493 1.004,494 1.428,495 1.029,496 1.051,497 0.924,498 0.969,499 0.978,500 1.117,501 0.952,502 10,503 0.261,504 4.222,505 3.882,506 2.551,507 1.855,508 1.084,509 0.821,510 0.561,511 0.424,512 63649,513 191617,514 2.049,515 42.7,517 24,518 2,520 8,521 4,524 1.849,525 1.925,526 4.354,527 4.332,530 154.175,531 1.732,532 4.061,533 5.21,534 5.827,535 6.054,536 6.085,537 3.812,538 5.516,539 5.64,540 4.663,541 5945.44,542 9.994,543 140869,546 576.34,547 1.376,548 5.606,549 0.182,550 0.005,551 0.057,552 0.05,553 0.032,554 0.023,555 0.014,556 0.012,557 0.009,558 0.007,559 0.392,560 0.17,561 0.38,562 0.727,563 320.942,564 -0.119,565 -0.054,566 0.038,567 0.068,568 -0.091,569 0.054,570 0.238,571 0.043,572 -0.028,573 -0.079,574 0.105,575 -0.055,576 -0.118,577 0.029,578 -0.058,579 0.013,580 -0.126,581 -0.021,582 -0.007,583 -0.08,584 0.05,585 -0.023,586 -0.021,587 -0.017,588 -0.091,589 -0.015,590 -0.094,591 -0.048,592 -0.03,593 -0.058,594 0.056,595 -0.117,596 -0.015,597 -0.103,598 0.074,599 -0.07,600 -0.224,601 -0.066,602 -0.104,603 -0.062,604 -0.161,605 -0.063,606 0.07,607 -0.006,608 0.015,609 -0.001,610 0.094,611 0.051,612 2.516,613 6.424,614 0.549,615 96.853,616 1.01,617 1.129,618 2.679,619 7.175,620 0.683,621 4.025,622 4.317,623 4.533,624 4.787,625 4.97,626 5.081,627 5.187,628 5.268,629 5.313,630 5.389,631 13.232,632 0.65,633 726.97,634 4.025,635 5.557,636 6.382,637 7.244,638 8.088,639 8.958,640 9.814,641 10.69,642 11.553,643 12.433,644 11.2,645 2,649 5,651 2,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 89,670 29,671 3,672 55,673 93,674 35,675 21,676 5,677 13,678 2,679 5,680 6,682 1,683 1,687 2,688 27,689 8,691 6,692 4,694 2,695 6,699 38,700 14,701 8,702 16,703 2,705 10,706 0.8,707 4,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 1,737 51,738 2,740 6,741 4,743 1,744 1,745 1,747 1,749 4.5,752 4,755 26.5,756 15.717,757 11.333,758 4.881,759 4.13,760 1.464,761 0.983,762 13.858,763 13.033,764 4.297,765 4.826,766 5.301,767 5.838,768 6.277,769 6.488,770 6.809,771 7.075,772 7.293,773 7.579,774 0.933,775 78,776 18.947,777 8.057,778 7.905,779 35.399,780 28.371,781 2.405,782 122.667,785 353.133,786 255.187,787 191.318,789 100.58,791 63.497,792 191.69,793 453.713,794 191.318,795 8.396,796 152.042,797 130.84,798 134.236,799 51.899,800 29.717,801 393.088,803 353.133,804 383.008,805 100.58,806 63.497,807 353.133,808 100.58,810 188.87,811 177.353,812 16.786,813 63.497,814 353.133,815 291.898,816 255.187,817 353.133,818 115.95,819 142.361,820 72.043,821 216.731,822 353.133,823 291.898,824 255.187,825 0.571,826 0.318,827 0.175,828 0.094,829 30,830 15,831 0.151,832 14,833 1,834 1.071,835 5.996,836 514.07,837 0.071,838 28,839 283.294,840 2,841 37.805,842 18.695,843 11.275,845 291.898,846 25.653,847 4.318,849 1.355,850 4.722,852 137.837,853 900.218,854 72.5,855 51.353,857 8.618,858 -0.909,859 89.85,860 100.473,861 0.268,862 0.627,863 0.805,864 0.9,865 0.935,866 0.94,867 5.524,868 2.241,869 6.347,870 6.116,871 5.004,872 5.515,873 3.942,874 7.111,875 4.917,876 6.708,877 2.14,878 7.874,879 6.08,880 4.511,881 5.19,882 2.831,883 7.91,884 4.417,885 7.991,886 1.987,887 9.5,888 5.972,889 6.547,890 7.588,891 5.725,892 11.025,893 6.388,894 9.305,895 1.791,896 11.187,897 5.46,898 6.868,899 8.056,900 4.423,901 12.703,902 6.697,903 10.65,904 1.756,905 12.917,906 4.823,907 8.36,908 9.929,909 7.903,910 15.343,911 8.139,912 12.015,913 1.553,914 14.678,915 4.342,916 9.079,917 10.792,918 5.879,919 17.418,920 8.839,921 13.398,922 1.523,923 16.463,924 3.529,925 10.345,926 12.429,927 10.21,928 19.902,929 10.067,930 3.254,931 1.317,932 18.267,933 3.271,934 11.27,935 13.512,936 7.295,937 22.164,938 10.968,939 2.798,940 11.429,941 20.088,942 3.09,943 12.446,944 15.029,945 12.56,946 24.601,947 12.112,948 2.763,949 9.331,950 21.922,951 4.133,952 13.479,953 16.24,954 8.698,955 26.95,956 13.117,957 2.744,958 8.334,959 23.769,960 3.791,961 14.624,962 17.694,963 14.924,964 29.375,965 14.233,966 2.581,967 7.971,968 25.625,969 3.696,970 15.714,971 18.98,972 10.095,973 31.767,974 15.295,975 2.428,976 7.966,977 27.49,978 3.53,979 16.855,980 20.403,981 17.292,982 34.191,983 16.407,984 2.349,985 6.828,986 29.363,987 3.173,988 17.976,989 21.733,990 11.493,991 36.604,992 17.5,993 60241,994 104751,995 36.58,996 60.83,997 81.954,998 87.093,999 83.022,1000 80.283,1001 80.388,1002 103.695,1003 28.54,1004 221.272,1005 76.787,1006 5.521,1007 6.25,1008 6.675,1009 5.366,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 28.132,1016 1.49,1017 1.584,1018 1.509,1019 1.46,1020 1.462,1021 1.885,1022 0.519,1023 4.023,1024 1.396,1025 4.049,1026 4.081,1027 4.235,1028 3.965,1029 7.437,1030 3.968,1031 3.943,1032 3.974,1033 4.001,1034 3.872,1035 7.428,1036 3.868,1037 3.862,1038 3.891,1039 3.884,1040 3.844,1041 7.426,1042 3.771,1043 3.829,1044 3.862,1045 3.831,1046 3.764,1047 7.424,1048 3.758,1049 3.737,1050 3.791,1051 3.758,1052 3.55,1053 5.336,1054 3.551,1055 3.637,1056 3.683,1057 3.616,1058 3.427,1059 4.878,1060 3.455,1061 3.549,1062 3.61,1063 3.567,1064 3.408,1065 4.804,1066 3.367,1067 3.455,1068 3.538,1069 3.414,1070 3.241,1071 4.738,1072 3.246,1073 0.083,1074 0.077,1075 0.125,1076 0.077,1077 0.059,1078 4.553,1079 0.075,1080 4.25,1081 0.059,1082 6.873,1083 0.208,1084 4.224,1085 0.057,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.041,1095 1.184,1096 2.047,1097 1.924,1098 1.897,1099 2.036,1100 2.029,1101 1.169,1102 2.031,1103 1.837,1104 1.806,1105 1.961,1106 1.946,1107 1.136,1108 1.948,1109 1.678,1110 1.627,1111 1.871,1112 1.903,1113 1.061,1114 1.898,1115 1.583,1116 1.54,1117 1.735,1118 1.822,1119 1.036,1120 1.798,1121 1.568,1122 1.524,1123 1.714,1124 1.77,1125 0.85,1126 1.761,1127 1.456,1128 1.406,1129 1.61,1130 1.73,1131 0.825,1132 1.72,1133 1.43,1134 1.378,1135 1.566,1136 1.621,1137 0.712,1138 1.629,1139 4.71,1140 6.009,1141 2.398,1142 7.477,1143 4.727,1144 9.027,1145 6.843,1146 10.627,1147 1.651,1150 10.732,1152 2.215,1153 11.038,1155 1.618,1156 -1.183,1157 1.487,1159 57.823,1160 154.175,1161 361.422,1162 463.705,1163 518.566,1164 538.831,1165 541.585,1166 137.271,1167 8.903,1168 209.29,1169 262.83,1170 30,1171 12.973,1172 4.907,1173 4.209,1174 94.34,1175 407,1176 463,1177 0.107,1178 365.959,1179 645.96,1180 884.701,1181 144328,1183 36.166,1184 0.709,1185 0.577,1186 36.873,1187 29.429,1188 24.656,1189 0.448,1190 0.328,1191 15.931,1192 22.804,1193 15.398,1194 12.761,1195 25.61,1196 18.013,1197 22.053,1198 0.298,1199 0.179,1200 23.128,1201 13.239,1202 17.229,1203 0.187,1204 0.1,1205 18.443,1206 9.241,1207 14.429,1208 0.121,1209 0.056,1210 15.742,1211 6.667,1212 11.059,1213 0.077,1214 0.031,1215 12.165,1216 4.446,1217 0.18,1218 163.935,1219 0.165,1220 45.314,1221 0.265,1222 258,1223 805.199,1224 327.817,1225 822.509,1226 1099.83,1227 766,1228 295,1229 759.88,1230 354.034,1231 792.457,1232 1149.96,1233 743,1234 6.921}
{0 CHEMBL30917,1 1.501,2 25.446,3 5.243,4 27.484,5 217.025,6 7.084,7 0.393,8 4.746,9 4.874,10 4.263,11 4.271,12 5.805,13 4.243,14 5.304,15 5.489,16 4.594,17 4.661,18 6.345,19 4.601,20 5.613,21 5.837,22 4.693,23 4.83,24 6.62,25 4.747,26 5.662,27 5.898,28 4.696,29 4.821,30 6.697,31 4.737,32 5.655,33 5.88,34 4.712,35 4.839,36 6.766,37 4.756,38 5.668,39 5.898,40 4.688,41 4.838,42 6.73,43 4.743,44 5.676,45 5.921,46 4.595,47 4.776,48 6.753,49 4.675,50 5.583,51 5.83,52 4.51,53 4.675,54 6.678,55 4.576,56 0.051,57 1.564,58 23.087,59 9.707,60 13.156,61 13.263,62 0.562,63 2.521,64 43.598,65 16.095,66 53.996,67 22.766,68 0.75,69 3.158,70 62.62,71 21.492,72 101.178,73 30.596,74 0.783,75 3.217,76 66.822,77 22.188,78 116.126,79 31.865,80 1.038,81 3.221,82 66.126,83 22.062,84 147.873,85 31.341,86 0.715,87 3.23,88 66.531,89 23.177,90 117.705,91 33.01,92 0.922,93 3.137,94 68.907,95 22.334,96 155.609,97 32.018,98 0.949,99 2.825,100 63.158,101 20.482,102 152.613,103 29.209,104 26,105 81,106 0.214,107 0.512,108 0.714,109 0.85,110 0.89,111 0.894,112 4.045,113 0.957,114 -4.84,115 -4.75,116 -4.46,117 41.1,119 7,121 1,122 6,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 22,152 1,153 12,156 5,157 1,158 6,161 22,165 2,166 12,169 2,171 5,174 13,177 1,178 16,181 2,183 8,185 13,188 3,189 12,191 3,192 1,193 7,195 18,198 1,199 13,202 1,203 1,204 11,206 15,209 1,210 18,213 1,215 9,217 10,220 1,221 15,223 2,224 1,225 7,227 10,231 10,234 2,236 4,239 20,243 9684,244 38.258,245 38.258,246 38.258,247 38.258,248 38.258,249 34.657,250 50.521,251 23.429,252 38.798,253 30.216,254 30.216,255 30.216,256 30.216,257 30.216,258 24.6,259 69.819,260 11.288,261 31.02,262 5.241,263 3.152,264 1.732,265 0.784,266 0.5,267 0.474,268 4.753,273 3109,274 5.292,276 1058.78,277 205.384,280 343.021,282 4.006,283 59.74,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 120.5,294 1425,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.062,302 11.429,303 3.155,304 4.119,305 3.616,306 6.31,307 3.78,308 2.798,309 3.696,310 1.987,311 9.331,312 2.744,313 4.086,314 3.574,315 5.941,316 3.731,317 2.755,318 3.676,319 1.907,320 8.334,321 2.706,322 4.049,323 3.532,324 5.684,325 3.72,326 2.744,327 3.53,328 1.653,329 8.011,330 2.663,331 3.89,332 3.188,333 5.679,334 3.552,335 2.581,336 3.173,337 0.916,338 7.965,339 2.503,340 3.707,341 3.06,342 5.327,343 3.411,344 2.462,345 2.935,346 0.86,347 6.945,348 2.396,349 3.656,350 2.823,351 5.31,352 3.392,353 2.413,354 2.829,355 0.85,356 6.826,357 2.356,358 3.564,359 2.801,360 5.137,361 3.368,362 2.366,363 2.747,364 0.488,365 6.096,366 2.288,367 3.524,368 2.741,369 5.035,370 3.145,371 2.15,372 2.712,373 0.324,374 5.986,375 2.125,376 3.394,377 2.33,378 4.851,379 2.97,380 2.015,381 2.664,382 0.219,383 5.573,384 1.925,385 3.238,386 2.26,387 4.848,388 2.961,389 1.991,390 2.346,391 0.172,392 5.475,393 1.913,394 3.158,395 2.189,396 4.608,397 2.76,398 1.77,399 2.345,400 0.149,401 4.831,402 1.745,403 2.957,404 1.899,405 4.201,406 2.588,407 1.611,408 2.116,409 0.03,410 3.529,411 1.567,412 2.776,413 1.833,414 4.003,415 2.541,416 1.552,417 1.896,419 3.355,420 1.531,421 2.723,422 1.748,423 3.729,424 2.401,425 1.424,426 1.789,428 3.09,429 1.387,430 26.467,431 0.473,432 1.112,433 0.02,434 69,435 1.232,436 33,437 0.589,438 36,439 0.643,440 57.8,441 1.032,442 61.133,443 0.571,444 66.444,445 1.187,446 13.737,447 0.245,448 13.581,449 0.243,450 0.069,452 0.276,454 0.748,455 1.375,456 0.838,457 1.137,458 0.549,459 1.014,460 0.754,461 1.136,462 0.965,463 1.07,464 0.551,465 1.045,466 1.088,467 1.053,468 1.008,469 0.995,470 0.987,471 0.989,472 1.139,473 1.057,474 0.964,475 0.972,476 1.107,477 0.945,478 1.14,479 0.996,480 1.033,481 0.972,482 1.163,483 0.983,484 1.005,485 1.142,486 0.985,487 1.099,488 1.095,489 1.049,490 1.257,491 1.017,492 1.05,493 0.986,494 1.145,495 0.986,496 1.251,497 0.948,498 1.013,499 0.936,500 1.198,501 0.94,502 9.5,503 0.299,504 4.222,505 3.75,506 2.719,507 1.608,508 1.248,509 0.77,510 0.577,511 0.386,512 89112,513 207839,514 2.096,515 47.7,516 2,517 32,518 1,520 4,521 4,522 6,523 2,524 1.869,525 2,526 4.511,527 1.214,530 160.567,531 1.501,532 3.589,533 5.009,534 5.957,535 6.241,536 6.267,537 3.959,538 5.629,539 5.779,540 4.814,541 7413.45,542 10.258,543 194720,546 721.337,547 1.23,548 5.756,549 0.156,550 0.005,551 0.052,552 0.043,553 0.032,554 0.018,555 0.015,556 0.01,557 0.008,558 0.006,559 0.345,561 0.5,562 0.415,563 363.998,564 -0.035,565 -0.141,566 0.047,567 -0.036,568 -0.021,569 0.01,570 0.12,571 0.016,572 -0.023,573 -0.045,574 0.067,575 -0.056,576 -0.045,577 -0.008,578 -0.021,579 -0.005,580 -0.042,581 -0.01,582 -0.036,583 -0.046,584 0.039,585 0.004,586 -0.011,587 0.028,588 0.025,589 0.036,590 -0.029,591 0.005,592 0.023,593 -0.017,594 0.026,595 -0.137,596 0.004,597 -0.102,598 0.011,599 -0.06,600 -0.063,601 -0.038,602 -0.03,603 -0.022,604 0.025,605 -0.019,606 -0.013,607 0.017,608 0.014,609 0.027,610 0.06,611 0.025,612 2.505,613 6.467,614 0.625,615 112.454,616 0.998,617 1.128,618 3.611,619 13.038,620 0.655,621 4.127,622 4.407,623 4.635,624 4.883,625 5.1,626 5.17,627 5.293,628 5.394,629 5.438,630 5.501,631 14.782,632 0.62,633 758.02,634 4.127,635 5.652,636 6.479,637 7.334,638 8.177,639 9.041,640 9.894,641 10.764,642 11.625,643 12.5,644 6.5,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 107,670 29,671 4,672 61,673 112,674 44,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 7,688 29,689 15,691 5,692 4,694 1,695 5,699 51,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 56,740 13,741 4,742 1,744 1,745 2,749 4.7,752 4,754 1,755 28,756 18.933,757 12.5,758 6.647,759 4.283,760 1.46,761 0.976,762 15.078,763 13.584,764 4.369,765 4.868,766 5.338,767 5.854,768 6.351,769 6.505,770 6.841,771 7.149,772 7.359,773 7.629,774 1,775 87,776 20.916,777 8.887,778 7.738,779 40.071,780 32.733,781 2.238,782 125.333,785 553.242,786 247.001,787 95.077,789 111.58,792 247.001,793 664.821,794 95.077,795 8.396,796 108.03,797 161.096,798 117.45,799 54.409,800 16.047,801 541.471,803 553.242,804 342.078,805 111.58,807 459.073,808 205.748,810 127.94,811 214.138,814 553.242,815 206.657,816 247.001,817 553.242,818 77.508,819 175.741,820 72.043,821 128.365,822 553.242,823 206.657,824 247.001,825 0.567,826 0.321,827 0.176,828 0.097,829 33,830 15,831 0.143,832 16,833 1,834 1.057,835 6.512,836 580.757,837 0.057,838 35,839 317.212,841 40.644,842 20.775,843 12.242,845 206.657,846 32.227,850 5.559,852 72.043,853 1006.9,854 78,855 51.669,857 4.722,858 -0.66,859 106.788,860 120.67,861 0.223,862 0.532,863 0.743,864 0.884,865 0.926,866 0.93,867 5.595,868 2.366,869 6.428,870 6.826,871 5.094,872 5.557,873 3.422,874 7.179,875 5.043,876 6.752,877 2.15,878 7.943,879 6.096,880 4.511,881 5.156,882 2.802,883 7.943,884 4.441,885 8.022,886 2.015,887 9.559,888 5.986,889 6.621,890 7.59,891 4.336,892 11.069,893 6.515,894 9.322,895 1.991,896 11.238,897 5.573,898 6.878,899 7.998,900 4.407,901 12.728,902 6.748,903 10.655,904 1.77,905 12.962,906 5.475,907 8.417,908 9.909,909 5.506,910 15.369,911 8.256,912 12.012,913 1.611,914 14.717,915 4.831,916 9.094,917 10.722,918 5.872,919 17.433,920 8.905,921 13.387,922 1.552,923 16.497,924 3.529,925 10.386,926 12.394,927 6.779,928 19.915,929 10.169,930 3.254,931 1.424,932 18.298,933 3.355,934 11.286,935 13.438,936 7.292,937 22.172,938 11.038,939 2.798,940 11.429,941 20.114,942 3.09,943 12.473,944 14.983,945 8.102,946 24.607,947 12.197,948 2.755,949 9.331,950 21.945,951 4.133,952 13.491,953 16.164,954 8.696,955 26.954,956 13.183,957 2.744,958 8.334,959 23.788,960 3.696,961 14.641,962 17.639,963 9.455,964 29.378,965 14.304,966 2.581,967 8.011,968 25.642,969 3.676,970 15.723,971 18.905,972 10.095,973 31.768,974 15.352,975 2.462,976 7.965,977 27.504,978 3.53,979 16.864,980 20.342,981 10.826,982 34.193,983 16.463,984 2.413,985 6.945,986 29.374,987 3.173,988 17.982,989 21.66,990 11.493,991 36.604,992 17.547,993 82599,994 126707,995 41.432,996 70.063,997 89.644,998 92.643,999 90.959,1000 88.599,1001 88.584,1002 111.182,1003 23.234,1004 240.683,1005 86.475,1006 5.553,1007 5.906,1008 6.675,1009 5.293,1010 5.254,1011 7.133,1012 3.581,1013 19.038,1014 5.155,1015 24.634,1016 1.47,1017 1.519,1018 1.491,1019 1.452,1020 1.452,1021 1.823,1022 0.381,1023 3.946,1024 1.418,1025 4.058,1026 4.093,1027 4.009,1028 3.97,1029 7.437,1030 3.973,1031 3.96,1032 3.996,1033 3.895,1034 3.878,1035 7.428,1036 3.877,1037 3.933,1038 3.966,1039 3.869,1040 3.854,1041 7.426,1042 3.853,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.849,1051 3.664,1052 3.654,1053 4.888,1054 3.646,1055 3.764,1056 3.819,1057 3.656,1058 3.584,1059 4.838,1060 3.591,1061 3.644,1062 3.697,1063 3.579,1064 3.432,1065 4.738,1066 3.458,1067 3.603,1068 3.663,1069 3.491,1070 3.413,1071 4.681,1072 3.42,1073 0.075,1074 0.064,1075 0.113,1076 0.069,1077 0.053,1078 4.553,1079 0.068,1080 3.906,1081 0.034,1082 6.873,1083 0.187,1084 4.224,1085 0.052,1086 3.254,1087 4.133,1088 2.062,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.897,1099 2.057,1100 2.041,1101 1.239,1102 2.047,1103 1.924,1104 1.894,1105 2.037,1106 2.029,1107 1.187,1108 2.032,1109 1.837,1110 1.806,1111 1.986,1112 1.955,1113 1.169,1114 1.965,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.163,1120 1.948,1121 1.717,1122 1.66,1123 1.936,1124 1.917,1125 1.125,1126 1.926,1127 1.593,1128 1.534,1129 1.851,1130 1.829,1131 1.036,1132 1.823,1133 1.574,1134 1.518,1135 1.716,1136 1.796,1137 0.825,1138 1.792,1139 4.812,1140 6.103,1142 7.574,1143 2.708,1144 9.129,1145 5.46,1146 10.732,1147 1.663,1152 10.124,1153 11.281,1154 5.928,1156 -1.171,1157 3.991,1159 66.313,1160 160.567,1161 384.037,1162 535.96,1163 637.421,1164 667.827,1165 670.582,1166 141.928,1167 9.301,1168 144.47,1169 144.47,1170 37,1171 13.043,1172 4.907,1173 4.17,1174 97.129,1175 505,1176 524,1177 0.088,1178 406.249,1179 728.07,1180 983.007,1181 259812,1183 39.116,1184 0.699,1185 0.571,1186 39.116,1187 31.968,1188 27.318,1189 0.448,1190 0.319,1191 19.222,1192 26.378,1193 18.834,1194 15.614,1195 27.318,1196 19.464,1197 23.87,1198 0.295,1199 0.174,1200 23.87,1201 14.126,1202 19.307,1203 0.189,1204 0.096,1205 19.307,1206 9.776,1207 16.051,1208 0.123,1209 0.053,1210 16.051,1211 6.905,1212 12.874,1213 0.079,1214 0.029,1215 12.874,1216 4.736,1217 0.149,1218 170.491,1219 0.155,1220 49.041,1221 0.214,1222 284,1223 804.944,1224 310.721,1225 774.957,1226 1047.78,1227 726,1228 325,1229 752.352,1230 350.785,1231 760.422,1232 1106.02,1233 717,1234 6.481}
{0 CHEMBL31090,1 1.501,2 23,3 5.759,4 33.166,5 216.993,6 7.084,7 0.393,8 4.746,9 4.874,10 4.263,11 4.271,12 5.805,13 4.243,14 5.304,15 5.488,16 4.596,17 4.659,18 6.346,19 4.6,20 5.615,21 5.839,22 4.697,23 4.826,24 6.619,25 4.744,26 5.663,27 5.9,28 4.715,29 4.821,30 6.691,31 4.742,32 5.662,33 5.879,34 4.787,35 4.854,36 6.835,37 4.786,38 5.707,39 5.929,40 4.798,41 4.877,42 6.83,43 4.805,44 5.733,45 5.967,46 4.722,47 4.847,48 6.847,49 4.766,50 5.679,51 5.913,52 4.674,53 4.795,54 6.81,55 4.712,56 0.051,57 1.564,58 23.087,59 9.707,60 13.088,61 13.263,62 0.553,63 2.523,64 43.582,65 16.073,66 53.923,67 22.76,68 0.829,69 3.167,70 62.84,71 21.419,72 102.774,73 30.54,74 0.781,75 3.226,76 66.961,77 21.993,78 109.021,79 31.681,80 1.152,81 3.267,82 66.367,83 21.85,84 173.24,85 31.051,86 0.852,87 3.389,88 69.28,89 23.191,90 134.494,91 32.89,92 1.005,93 3.362,94 72.709,95 22.956,96 168.404,97 32.706,98 1.105,99 3.163,100 69.072,101 22.203,102 171.597,103 31.383,104 26,105 81,106 0.214,107 0.509,108 0.709,109 0.85,110 0.89,111 0.894,112 4.045,113 0.958,114 -4.84,115 -4.75,116 -4.46,117 41.1,118 1,119 6,122 7,125 1,132 17,133 4,134 3,140 1,141 3,142 1,150 22,152 1,153 11,156 5,157 1,158 5,161 22,165 3,166 11,169 3,171 4,174 13,177 1,178 14,181 2,183 6,185 12,188 4,189 14,191 4,192 1,193 8,195 16,198 2,199 15,202 2,203 1,204 12,206 12,209 1,210 20,213 1,215 10,217 9,220 2,221 18,223 3,224 1,225 8,227 12,231 11,234 2,236 4,239 22,243 9972,244 38.258,245 38.258,246 38.258,247 38.258,248 38.258,249 34.604,250 49.035,251 23.475,252 38.79,253 30.236,254 30.236,255 30.236,256 30.236,257 30.236,258 24.6,259 66.24,260 11.325,261 31.05,262 5.241,263 3.171,264 1.77,265 0.784,266 0.5,267 0.474,268 4.753,273 2801,274 5.292,276 1008.09,277 203.915,280 328.335,282 3.107,283 62.667,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 120.5,294 1288,295 4.562,296 3.934,297 6.911,298 4.241,299 3.274,300 4.137,301 2.072,302 11.616,303 3.168,304 4.092,305 3.589,306 6.361,307 3.795,308 2.814,309 3.676,310 1.946,311 9.599,312 2.754,313 4.086,314 3.573,315 5.951,316 3.72,317 2.755,318 3.662,319 1.907,320 8.376,321 2.663,322 4.065,323 3.515,324 5.684,325 3.688,326 2.715,327 3.539,328 1.653,329 8.011,330 2.644,331 3.88,332 3.188,333 5.58,334 3.536,335 2.561,336 3.187,337 0.916,338 7.643,339 2.494,340 3.679,341 3.06,342 5.327,343 3.403,344 2.462,345 2.895,346 0.86,347 6.945,348 2.394,349 3.649,350 2.823,351 5.292,352 3.388,353 2.393,354 2.828,355 0.854,356 6.546,357 2.319,358 3.564,359 2.804,360 5.039,361 3.327,362 2.324,363 2.762,364 0.52,365 6.096,366 2.288,367 3.556,368 2.73,369 4.998,370 3.202,371 2.205,372 2.712,373 0.222,374 5.942,375 2.182,376 3.386,377 2.33,378 4.912,379 2.97,380 2.015,381 2.657,382 0.172,383 5.573,384 1.92,385 3.238,386 2.259,387 4.851,388 2.956,389 1.986,390 2.387,391 0.149,392 5.541,393 1.912,394 3.181,395 2.138,396 4.592,397 2.77,398 1.775,399 2.346,400 0.148,401 4.79,402 1.758,403 2.956,404 1.933,405 4.234,406 2.596,407 1.621,408 2.113,409 0.029,410 3.618,411 1.576,412 2.776,413 1.833,414 4.01,415 2.541,416 1.554,417 1.896,419 3.353,420 1.53,421 2.723,422 1.751,423 3.732,424 2.403,425 1.426,426 1.789,428 3.1,429 1.388,430 26.467,431 0.473,432 1.112,433 0.02,434 69,435 1.232,436 33,437 0.589,438 36,439 0.643,440 59.605,441 1.064,442 61.133,443 0.571,444 68.318,445 1.22,446 13.724,447 0.245,448 13.593,449 0.243,450 0.069,452 0.276,454 0.748,455 1.375,456 0.838,457 1.137,458 0.55,459 1.014,460 0.748,461 1.161,462 0.962,463 1.084,464 0.549,465 1.052,466 1.065,467 1.034,468 1.007,469 0.987,470 0.992,471 0.986,472 1.143,473 1.052,474 0.938,475 0.951,476 1.108,477 0.917,478 1.109,479 1.021,480 0.985,481 0.962,482 1.128,483 0.954,484 1.15,485 1.146,486 0.985,487 1.069,488 1.275,489 1.012,490 1.408,491 1.039,492 1.069,493 0.973,494 1.329,495 0.968,496 1.336,497 0.961,498 1.038,499 0.941,500 1.346,501 0.947,502 9.5,503 0.39,504 4.222,505 3.625,506 2.839,507 1.796,508 1.382,509 0.932,510 0.645,511 0.495,512 79648,513 184571,514 2.096,515 47.7,516 5,517 31,518 1,520 4,521 2,522 6,523 2,524 1.874,525 2,526 4.354,527 1.214,530 160.567,531 1.501,532 3.57,533 4.972,534 5.957,535 6.241,536 6.267,537 3.789,538 5.593,539 5.773,540 4.644,541 7151.97,542 10.286,543 175995,546 721.337,547 1.23,548 5.756,549 0.156,550 0.005,551 0.052,552 0.042,553 0.032,554 0.019,555 0.015,556 0.011,557 0.008,558 0.006,559 0.346,561 0.5,562 0.415,563 357.958,564 -0.035,565 -0.141,566 0.047,567 -0.036,568 -0.022,569 0.01,570 0.126,571 -0.01,572 -0.02,573 -0.059,574 0.069,575 -0.063,576 -0.01,577 0.014,578 -0.018,579 -0.001,580 -0.046,581 -0.012,582 -0.029,583 -0.037,584 0.068,585 0.02,586 -0.013,587 0.053,588 0.114,589 0.025,590 0.024,591 0.012,592 0.127,593 0.005,594 0.029,595 -0.119,596 0.02,597 -0.088,598 0.015,599 -0.044,600 -0.1,601 -0.037,602 -0.04,603 -0.016,604 -0.003,605 -0.016,606 -0.017,607 0.03,608 -0.007,609 0.02,610 0.038,611 0.009,612 2.654,613 7.131,614 0.625,615 112.546,616 0.998,617 1.128,618 3.611,619 13.038,620 0.655,621 4.127,622 4.407,623 4.635,624 4.898,625 5.136,626 5.22,627 5.361,628 5.497,629 5.583,630 5.666,631 13.158,632 0.62,633 758.02,634 4.127,635 5.652,636 6.479,637 7.336,638 8.182,639 9.051,640 9.909,641 10.785,642 11.652,643 12.534,644 6.5,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 107,670 29,671 4,672 61,673 112,674 44,675 24,676 7,677 17,678 1,679 6,680 7,683 1,684 1,685 3,687 6,688 29,689 15,691 5,692 4,694 1,695 5,699 51,700 12,701 4,702 12,705 7,706 0.833,707 5,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 1,737 56,740 13,741 4,742 1,744 1,745 2,749 4.7,752 4,754 1,755 28,756 18.933,757 12.5,758 6.672,759 3.506,760 1.386,761 0.976,762 15.078,763 12.588,764 4.369,765 4.868,766 5.333,767 5.85,768 6.355,769 6.504,770 6.844,771 7.171,772 7.436,773 7.713,774 0.933,775 87,776 20.967,777 8.944,778 7.738,779 40.071,780 32.726,781 2.238,782 125.333,785 553.242,786 247.001,787 95.077,789 111.58,792 247.001,793 664.821,794 95.077,795 8.825,796 107.601,797 161.096,798 117.45,799 54.409,800 16.047,801 541.471,803 553.242,804 342.078,805 111.58,807 459.073,808 205.748,810 136.336,811 205.742,814 553.242,815 206.657,816 247.001,817 553.242,818 77.08,819 176.17,820 72.043,821 128.365,822 553.242,823 206.657,824 247.001,825 0.566,826 0.319,827 0.177,828 0.1,829 33,830 15,831 0.143,832 16,833 1,834 1.057,835 6.341,836 600.475,837 0.057,838 35,839 315.212,841 40.644,842 20.775,843 12.242,845 206.657,846 32.158,850 5.512,852 72.043,853 1006.9,854 78,855 53.118,857 4.762,858 -1.181,859 106.788,860 120.67,861 0.223,862 0.53,863 0.737,864 0.884,865 0.926,866 0.93,867 5.595,868 2.324,869 6.428,870 6.546,871 5.094,872 5.557,873 3.409,874 7.182,875 5.042,876 6.752,877 2.205,878 7.943,879 6.096,880 4.511,881 5.156,882 2.802,883 7.958,884 4.441,885 8.022,886 2.015,887 9.559,888 5.942,889 6.621,890 7.588,891 4.318,892 11.091,893 6.51,894 9.322,895 1.986,896 11.24,897 5.573,898 6.878,899 7.993,900 4.394,901 12.778,902 6.743,903 10.655,904 1.775,905 12.966,906 5.541,907 8.42,908 9.905,909 5.48,910 15.43,911 8.249,912 12.011,913 1.621,914 14.726,915 4.79,916 9.101,917 10.716,918 5.85,919 17.527,920 8.899,921 13.386,922 1.554,923 16.511,924 3.618,925 10.396,926 12.389,927 6.747,928 20.024,929 10.163,930 3.274,931 1.426,932 18.317,933 3.353,934 11.303,935 13.43,936 7.264,937 22.31,938 11.036,939 2.814,940 11.616,941 20.141,942 3.1,943 12.495,944 14.976,945 8.066,946 24.76,947 12.197,948 2.755,949 9.599,950 21.979,951 4.137,952 13.522,953 16.157,954 8.663,955 27.132,956 13.188,957 2.715,958 8.376,959 23.83,960 3.676,961 14.677,962 17.633,963 9.416,964 29.572,965 14.313,966 2.561,967 8.011,968 25.691,969 3.662,970 15.769,971 18.899,972 10.059,973 31.983,974 15.368,975 2.462,976 7.643,977 27.562,978 3.539,979 16.918,980 20.337,981 10.787,982 34.423,983 16.484,984 2.393,985 6.945,986 29.44,987 3.187,988 18.044,989 21.656,990 11.456,991 36.852,992 17.575,993 74173,994 113458,995 41.432,996 70.063,997 89.791,998 92.507,999 90.955,1000 88.686,1001 88.659,1002 111.288,1003 22.9,1004 241.002,1005 86.527,1006 5.562,1007 5.934,1008 6.713,1009 5.307,1010 5.274,1011 7.137,1012 3.598,1013 19.23,1014 5.168,1015 24.354,1016 1.472,1017 1.517,1018 1.491,1019 1.454,1020 1.453,1021 1.824,1022 0.375,1023 3.951,1024 1.418,1025 4.061,1026 4.096,1027 4.014,1028 3.971,1029 7.438,1030 3.975,1031 3.956,1032 3.993,1033 3.887,1034 3.871,1035 7.428,1036 3.87,1037 3.919,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.835,1044 3.869,1045 3.765,1046 3.766,1047 7.422,1048 3.761,1049 3.793,1050 3.849,1051 3.666,1052 3.654,1053 4.887,1054 3.646,1055 3.77,1056 3.823,1057 3.66,1058 3.591,1059 4.838,1060 3.598,1061 3.652,1062 3.703,1063 3.58,1064 3.452,1065 4.753,1066 3.475,1067 3.607,1068 3.666,1069 3.511,1070 3.406,1071 4.678,1072 3.414,1073 0.075,1074 0.064,1075 0.113,1076 0.07,1077 0.054,1078 4.562,1079 0.068,1080 3.934,1081 0.034,1082 6.911,1083 0.19,1084 4.241,1085 0.052,1086 3.274,1087 4.137,1088 2.072,1089 11.616,1090 3.168,1091 1.964,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.042,1101 1.237,1102 2.048,1103 1.914,1104 1.884,1105 2.037,1106 2.018,1107 1.183,1108 2.022,1109 1.84,1110 1.81,1111 1.986,1112 1.967,1113 1.172,1114 1.969,1115 1.789,1116 1.731,1117 1.964,1118 1.949,1119 1.132,1120 1.957,1121 1.722,1122 1.665,1123 1.938,1124 1.914,1125 1.125,1126 1.924,1127 1.612,1128 1.559,1129 1.853,1130 1.834,1131 1.047,1132 1.833,1133 1.566,1134 1.507,1135 1.714,1136 1.795,1137 0.875,1138 1.786,1139 4.812,1140 6.103,1142 7.574,1143 2.708,1144 9.131,1145 5.46,1146 10.737,1147 1.915,1152 9.328,1153 11.258,1154 5.948,1156 -1.32,1157 3.836,1159 66.313,1160 160.567,1161 382.037,1162 531.96,1163 637.421,1164 667.827,1165 670.582,1166 146.358,1167 9.082,1168 144.47,1169 144.47,1170 37,1171 13.072,1172 4.907,1173 4.17,1174 96.604,1175 433,1176 524,1177 0.101,1178 406.249,1179 728.07,1180 983.007,1181 172545,1183 39.116,1184 0.699,1185 0.571,1186 39.116,1187 31.968,1188 27.318,1189 0.448,1190 0.319,1191 19.241,1192 26.39,1193 18.849,1194 15.632,1195 27.318,1196 19.479,1197 23.914,1198 0.295,1199 0.175,1200 23.914,1201 14.145,1202 19.12,1203 0.187,1204 0.095,1205 19.12,1206 9.669,1207 16.078,1208 0.121,1209 0.052,1210 16.078,1211 6.891,1212 13.15,1213 0.078,1214 0.028,1215 13.15,1216 4.769,1217 0.167,1218 170.407,1219 0.155,1220 48.3,1221 0.254,1222 284,1223 804.944,1224 311.054,1225 774.93,1226 1048.3,1227 726,1228 325,1229 753.704,1230 351.367,1231 761.138,1232 1108.54,1233 718,1234 6.046}
{0 CHEMBL31671,1 1.496,2 20.551,3 5.579,4 31.12,5 190.218,6 7.24,7 0.444,8 4.594,9 4.718,10 4.136,11 4.137,12 5.665,13 4.112,14 5.143,15 5.32,16 4.479,17 4.529,18 6.199,19 4.477,20 5.446,21 5.66,22 4.598,23 4.701,24 6.472,25 4.627,26 5.504,27 5.731,28 4.59,29 4.688,30 6.565,31 4.614,32 5.49,33 5.706,34 4.606,35 4.713,36 6.619,37 4.636,38 5.513,39 5.735,40 4.567,41 4.713,42 6.583,43 4.624,44 5.516,45 5.754,46 4.483,47 4.643,48 6.623,49 4.545,50 5.419,51 5.664,52 4.358,53 4.517,54 6.468,55 4.427,56 0.039,57 1.328,58 19.014,59 8.209,60 11.498,61 10.987,62 0.474,63 2.167,64 36.023,65 13.577,66 43.665,67 18.778,68 0.568,69 2.742,70 51.616,71 18.529,72 76.865,73 25.835,74 0.68,75 2.815,76 56.269,77 19.017,78 97.189,79 26.64,80 0.858,81 2.807,82 54.756,83 19.111,84 120.69,85 26.571,86 0.547,87 2.834,88 55.903,89 20.007,90 94.817,91 27.902,92 0.797,93 2.751,94 57.858,95 19.62,96 134.984,97 27.498,98 0.638,99 2.437,100 53.427,101 17.604,102 105.158,103 24.425,104 17,105 73,106 0.22,107 0.523,108 0.708,109 0.841,110 0.883,111 0.887,112 3.914,113 0.936,114 -5.1,115 -5,116 -4.68,117 42.9,119 4,121 1,122 5,125 1,132 17,133 4,134 3,140 1,141 2,142 1,150 20,152 1,153 11,156 4,157 1,158 4,161 20,165 2,166 12,169 2,171 4,174 12,177 1,178 14,181 2,183 6,185 11,188 3,189 11,191 3,192 1,193 7,195 17,198 1,199 11,204 9,206 13,209 1,210 18,213 2,214 1,215 8,217 8,221 14,225 5,227 8,230 1,231 7,234 3,236 2,239 20,243 6259,244 33.62,245 33.62,246 33.62,247 33.62,248 33.62,249 30.236,250 41.154,251 20.393,252 34.127,253 26.728,254 26.728,255 26.728,256 26.728,257 26.728,258 21.483,259 56.464,260 9.784,261 27.5,262 5.012,263 2.946,264 1.686,265 0.782,266 0.5,267 0.47,268 4.626,272 1,273 2214,274 4.472,276 858.102,277 165.731,280 278.532,282 3.248,283 48.617,285 0.75,286 0.33,287 0.67,288 0.7,289 0.5,290 0.67,291 0.5,292 0.59,293 105,294 1007,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.062,302 11.429,303 3.155,304 4.223,305 3.566,306 6.31,307 3.862,308 2.865,309 3.808,310 1.653,311 9.331,312 2.853,313 4.086,314 3.524,315 6.067,316 3.76,317 2.776,318 3.676,319 1.058,320 8.788,321 2.722,322 4.052,323 3.188,324 5.939,325 3.72,326 2.755,327 3.53,328 0.916,329 8.311,330 2.663,331 3.904,332 3.06,333 5.684,334 3.566,335 2.599,336 3.185,337 0.86,338 8.011,339 2.511,340 3.737,341 2.823,342 5.43,343 3.396,344 2.461,345 3.025,346 0.85,347 7.113,348 2.359,349 3.565,350 2.797,351 5.327,352 3.389,353 2.409,354 2.73,355 0.488,356 6.945,357 2.288,358 3.465,359 2.564,360 5.147,361 3.069,362 2.089,363 2.713,364 0.219,365 5.965,366 2.038,367 3.362,368 2.33,369 4.851,370 2.972,371 2.017,372 2.6,373 0.172,374 5.573,375 1.915,376 3.239,377 2.253,378 4.765,379 2.904,380 1.918,381 2.346,382 0.03,383 5.185,384 1.878,385 2.966,386 1.901,387 4.239,388 2.638,389 1.667,390 2.128,392 3.898,393 1.613,394 2.882,395 1.848,396 4.136,397 2.545,398 1.558,399 1.971,401 3.522,402 1.534,403 2.775,404 1.79,405 4.002,406 2.408,407 1.432,408 1.895,410 3.123,411 1.392,412 2.715,413 1.686,414 3.656,415 2.33,416 1.338,417 1.787,419 3.077,420 1.323,421 2.637,422 1.512,423 3.602,424 2.314,425 1.316,426 1.679,428 2.983,429 1.312,430 23.233,431 0.474,432 0.989,433 0.02,434 63.25,435 1.291,436 31.5,437 0.643,438 31.75,439 0.648,440 46.784,441 0.955,442 52.367,443 0.575,444 59.286,445 1.21,446 12.633,447 0.258,448 11.308,449 0.231,450 0.065,452 0.293,454 0.757,455 1.336,456 0.811,457 1.095,458 0.561,459 0.975,460 0.8,461 1.09,462 0.948,463 1.018,464 0.559,465 0.999,466 1.011,467 1.087,468 0.959,469 1.013,470 0.864,471 0.983,472 1.212,473 1.054,474 0.973,475 0.957,476 1.201,477 0.933,478 1.063,479 1.009,480 1.012,481 0.989,482 1.084,483 0.992,484 1.068,485 1.171,486 1.021,487 1.115,488 1.162,489 1.068,490 1.17,491 1.027,492 1.041,493 1.026,494 1.09,495 1.016,496 1.465,497 0.96,498 1.027,499 0.921,500 1.401,501 0.915,502 8,503 0.266,504 4.222,505 3.375,506 2.599,507 1.532,508 1.168,509 0.645,510 0.552,511 0.326,512 56381,513 129955,514 2.122,515 46.2,516 2,517 30,518 1,520 3,522 4,523 2,524 1.842,525 2.028,526 4.224,527 0.632,530 136.092,531 1.496,532 3.562,533 4.822,534 5.726,535 6.008,536 6.038,537 3.681,538 5.288,539 5.586,540 4.5,541 5291.9,542 9.892,543 116998,546 592.209,547 1.229,548 5.564,549 0.148,550 0.005,551 0.058,552 0.042,553 0.033,554 0.019,555 0.016,556 0.01,557 0.009,558 0.006,559 0.346,560 0.17,561 0.5,562 0.41,563 301.841,564 -0.031,565 -0.144,566 0.053,567 -0.036,568 -0.029,569 0.011,570 0.112,571 0.047,572 -0.018,573 -0.019,574 0.069,575 -0.036,576 0.008,577 -0.044,578 0.016,579 -0.027,580 0.024,581 -0.01,582 -0.039,583 -0.038,584 0.035,585 0.008,586 -0.012,587 0.028,588 0.083,589 0.024,590 -0.019,591 -0.014,592 0.077,593 -0.029,594 -0.014,595 -0.165,596 -0.035,597 -0.126,598 -0.011,599 -0.088,600 0.021,601 -0.045,602 -0.024,603 -0.059,604 0.097,605 -0.048,606 -0.148,607 -0.005,608 0.012,609 0.039,610 -0.063,611 0.049,612 2.501,613 6.445,614 0.714,615 80.85,616 0.998,617 1.124,618 3.87,619 14.98,620 0.665,621 4.007,622 4.304,623 4.564,624 4.82,625 5.056,626 5.124,627 5.257,628 5.342,629 5.412,630 5.472,631 11.94,632 0.632,633 658.87,634 4.007,635 5.541,636 6.382,637 7.246,638 8.103,639 8.976,640 9.84,641 10.718,642 11.588,643 12.469,644 6.6,647 1,649 4,651 1,654 17,658 7,660 24,661 1,662 1,667 1,669 91,670 28,671 4,672 54,673 96,674 39,675 24,676 7,677 17,678 2,679 6,680 7,683 1,685 3,687 4,688 28,689 11,691 4,692 3,694 1,695 4,699 42,700 10,701 3,702 10,705 6,706 0.833,707 4,713 5,714 1,717 1,720 1,727 1,731 5,734 1,737 49,740 9,741 3,742 1,744 1,745 2,749 4.4,752 3,754 1,755 24.167,756 16.267,757 10.861,758 5.606,759 4.374,760 1.478,761 0.99,762 11.624,763 13.529,764 4.263,765 4.787,766 5.308,767 5.834,768 6.349,769 6.5,770 6.857,771 7.109,772 7.368,773 7.624,774 1,775 80,776 18.274,777 7.827,778 7.707,779 35.02,780 28.803,781 2.207,782 108.167,785 459.073,786 232.587,787 77.066,789 86.435,792 232.587,793 545.508,794 77.066,795 8.396,796 80.31,797 161.096,798 87.601,799 54.409,800 16.047,801 447.302,803 459.073,804 309.653,805 86.435,807 388.446,808 157.061,810 100.22,811 209.434,814 459.073,815 163.501,816 232.587,817 459.073,818 63.094,819 175.741,820 54.032,821 103.22,822 459.073,823 163.501,824 232.587,825 0.571,826 0.332,827 0.184,828 0.103,829 32,830 14,831 0.115,832 11,833 1,834 1.057,835 5.831,836 508.74,837 0.057,838 35,839 267.121,841 34.222,842 16.643,843 9.08,845 163.501,846 31.937,850 5.199,852 54.032,853 855.161,854 70,855 39.5,857 4.719,858 -0.66,859 90.825,860 102.301,861 0.23,862 0.547,863 0.741,864 0.88,865 0.923,866 0.928,867 5.493,868 2.089,869 6.34,870 6.945,871 4.99,872 5.476,873 2.988,874 7.117,875 4.936,876 6.662,877 2.017,878 7.873,879 5.965,880 4.443,881 5.085,882 2.157,883 7.936,884 4.362,885 7.94,886 1.918,887 9.508,888 5.573,889 6.544,890 7.547,891 3.701,892 11.068,893 6.431,894 9.252,895 1.667,896 11.208,897 5.185,898 6.847,899 7.979,900 3.677,901 12.762,902 6.71,903 10.597,904 1.558,905 12.95,906 3.898,907 8.376,908 9.903,909 4.786,910 15.402,911 8.211,912 11.966,913 1.432,914 14.722,915 3.522,916 9.091,917 10.742,918 5.134,919 17.477,920 8.902,921 13.354,922 1.338,923 16.517,924 3.123,925 10.378,926 12.417,927 6.047,928 19.957,929 10.164,930 3.254,931 1.316,932 18.329,933 3.077,934 11.303,935 13.482,936 6.573,937 22.212,938 11.063,939 2.865,940 11.429,941 20.155,942 2.983,943 12.489,944 15.026,945 7.391,946 24.642,947 12.224,948 2.776,949 9.331,950 21.993,951 4.133,952 13.522,953 16.223,954 8.007,955 26.984,956 13.228,957 2.755,958 8.788,959 23.841,960 3.808,961 14.671,962 17.696,963 8.777,964 29.403,965 14.352,966 2.599,967 8.311,968 25.697,969 3.676,970 15.76,971 18.972,972 9.441,973 31.789,974 15.411,975 2.461,976 8.011,977 27.561,978 3.53,979 16.901,980 20.407,981 10.188,982 34.21,983 16.524,984 2.409,985 7.113,986 29.431,987 3.185,988 18.021,989 21.73,990 10.878,991 36.618,992 17.613,993 51951,994 79344,995 36.868,996 60.557,997 80.527,998 82.67,999 81.437,1000 79.383,1001 79.299,1002 100.871,1003 16.617,1004 219.65,1005 77.243,1006 5.553,1007 5.906,1008 6.675,1009 5.298,1010 5.254,1011 7.133,1012 3.581,1013 19.038,1014 5.155,1015 19.716,1016 1.491,1017 1.531,1018 1.508,1019 1.47,1020 1.468,1021 1.868,1022 0.308,1023 4.068,1024 1.43,1025 4.054,1026 4.088,1027 4.008,1028 3.967,1029 7.436,1030 3.971,1031 3.96,1032 3.995,1033 3.899,1034 3.874,1035 7.428,1036 3.875,1037 3.928,1038 3.959,1039 3.869,1040 3.848,1041 7.424,1042 3.848,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 4.887,1048 3.758,1049 3.792,1050 3.846,1051 3.662,1052 3.654,1053 4.838,1054 3.646,1055 3.654,1056 3.714,1057 3.583,1058 3.458,1059 4.721,1060 3.465,1061 3.614,1062 3.665,1063 3.493,1064 3.417,1065 4.681,1066 3.442,1067 3.399,1068 3.453,1069 3.326,1070 3.134,1071 4.401,1072 3.175,1073 0.084,1074 0.072,1075 0.127,1076 0.078,1077 0.06,1078 4.553,1079 0.077,1080 3.906,1081 0.038,1082 6.873,1083 0.212,1084 4.224,1085 0.058,1086 3.254,1087 4.133,1088 2.062,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.925,1098 1.895,1099 2.057,1100 2.04,1101 1.198,1102 2.046,1103 1.911,1104 1.886,1105 2.012,1106 2.024,1107 1.169,1108 2.02,1109 1.837,1110 1.806,1111 1.983,1112 1.948,1113 1.13,1114 1.958,1115 1.789,1116 1.73,1117 1.961,1118 1.941,1119 1.085,1120 1.948,1121 1.616,1122 1.552,1123 1.865,1124 1.839,1125 1.036,1126 1.841,1127 1.573,1128 1.524,1129 1.714,1130 1.799,1131 0.825,1132 1.788,1133 1.289,1134 1.229,1135 1.549,1136 1.584,1137 0.822,1138 1.57,1139 4.691,1140 5.994,1142 7.486,1143 2.708,1144 9.062,1145 5.46,1146 10.684,1147 1.667,1152 8.642,1153 8.38,1154 5.96,1156 -1.168,1157 3.991,1159 57.47,1160 136.092,1161 324.109,1162 438.806,1163 521.048,1164 546.7,1165 549.454,1166 105.953,1167 9.155,1168 115.37,1169 115.37,1170 37,1171 13.007,1172 4.858,1173 4.087,1174 78.592,1175 355,1176 382,1177 0.103,1178 350.424,1179 624.42,1180 846.794,1181 194320,1183 34.003,1184 0.694,1185 0.566,1186 34.003,1187 27.731,1188 23.941,1189 0.443,1190 0.312,1191 16.637,1192 23.149,1193 16.297,1194 13.516,1195 23.941,1196 16.845,1197 21.011,1198 0.288,1199 0.168,1200 21.011,1201 12.282,1202 17.627,1203 0.186,1204 0.091,1205 17.627,1206 8.67,1207 14.676,1208 0.119,1209 0.05,1210 14.676,1211 6.147,1212 12.045,1213 0.077,1214 0.027,1215 12.045,1216 4.279,1217 0.171,1218 149.198,1219 0.165,1220 43.475,1221 0.259,1222 254,1223 706.876,1224 276.786,1225 684.02,1226 935.58,1227 642,1228 295,1229 683.026,1230 318.124,1231 692.332,1232 1013.56,1233 653,1234 5.602}
{0 CHEMBL31726,1 1.73,2 24.167,3 3.582,4 12.834,5 209.5,6 8.032,7 0.397,8 4.655,9 4.779,10 4.311,11 4.19,12 5.813,13 4.159,14 5.166,15 5.334,16 4.654,17 4.555,18 6.339,19 4.494,20 5.413,21 5.608,22 4.719,23 4.681,24 6.572,25 4.617,26 5.481,27 5.686,28 4.775,29 4.724,30 6.618,31 4.641,32 5.52,33 5.728,34 4.741,35 4.726,36 6.724,37 4.656,38 5.529,39 5.745,40 4.686,41 4.718,42 6.649,43 4.638,44 5.522,45 5.735,46 4.689,47 4.668,48 6.73,49 4.599,50 5.473,51 5.689,52 4.62,53 4.647,54 6.647,55 4.565,56 0.157,57 1.503,58 19.199,59 8.435,60 23.194,61 10.419,62 0.707,63 2.328,64 41.21,65 14.756,66 64.423,67 18.514,68 1.043,69 2.74,70 51.726,71 16.982,72 121.809,73 22.021,74 0.889,75 2.864,76 61.852,77 20.286,78 121.746,79 25.26,80 1.22,81 2.927,82 60.624,83 19.195,84 150.483,85 24.821,86 0.825,87 2.88,88 60.453,89 20.637,90 115.832,91 26.619,92 1.245,93 2.799,94 62.788,95 19.038,96 167.84,97 24.555,98 1.229,99 2.655,100 61.758,101 19.886,102 148.056,103 25.276,104 67,105 78,106 0.252,107 0.605,108 0.8,109 0.886,110 0.907,111 0.907,112 4.009,113 0.986,114 -3.56,115 -3.54,116 -3.37,117 38.5,118 1,119 2,121 1,122 5,125 1,132 12,133 3,134 3,136 1,138 1,140 1,141 3,142 2,144 1,145 2,146 2,147 2,150 14,152 2,153 9,155 2,156 7,157 2,158 4,160 2,161 15,164 1,165 3,166 9,169 3,171 5,174 10,177 1,178 11,180 2,181 3,183 8,185 7,187 2,188 3,189 16,191 3,192 1,193 8,195 8,199 14,202 1,204 9,206 6,209 2,210 15,213 2,215 9,217 5,219 2,220 4,221 13,223 3,225 5,227 9,230 1,231 8,234 1,236 2,239 16,243 9082,244 36.136,245 36.136,246 36.136,247 36.136,248 36.136,249 32.328,250 47.68,251 21.855,252 37.164,253 28.682,254 28.682,255 28.682,256 28.682,257 28.682,258 22.735,259 62.19,260 10.51,261 30.275,262 4.855,263 2.426,264 1.084,265 0.495,266 0.349,267 0.349,268 4.706,273 2787,274 5.657,275 193.84,276 554.47,277 192.369,280 311.409,282 3.568,283 66.949,285 0.25,286 0.33,287 0.33,288 0.7,289 1,290 0.17,292 0.4,293 118,294 1305,295 4.558,296 4.25,297 6.875,298 4.227,299 3.257,300 4.146,301 3.272,302 11.438,303 3.159,304 4.164,305 3.906,306 6.318,307 3.801,308 2.824,309 3.791,310 2.062,311 9.38,312 2.751,313 4.124,314 3.607,315 5.954,316 3.688,317 2.763,318 3.672,319 2.03,320 8.388,321 2.643,322 4.074,323 3.573,324 5.675,325 3.645,326 2.715,327 3.662,328 1.907,329 7.971,330 2.524,331 3.899,332 3.533,333 5.581,334 3.564,335 2.586,336 3.17,337 1.653,338 7.652,339 2.44,340 3.733,341 3.204,342 5.427,343 3.421,344 2.449,345 3.019,346 1.2,347 7.093,348 2.397,349 3.662,350 3.022,351 5.105,352 3.372,353 2.38,354 2.913,355 0.892,356 6.139,357 2.337,358 3.634,359 2.866,360 5.04,361 3.263,362 2.275,363 2.837,364 0.85,365 6.091,366 2.226,367 3.61,368 2.752,369 5.028,370 3.164,371 2.241,372 2.813,373 0.488,374 6.071,375 2.12,376 3.554,377 2.749,378 4.992,379 3.15,380 2.184,381 2.787,382 0.219,383 5.95,384 2.028,385 3.197,386 2.714,387 4.878,388 2.83,389 1.857,390 2.404,391 0.149,392 5.34,393 1.803,394 3.074,395 2.279,396 4.579,397 2.682,398 1.79,399 2.231,400 0.141,401 4.724,402 1.653,403 3.044,404 2.162,405 4.338,406 2.642,407 1.703,408 2.153,409 0.129,410 4.342,411 1.515,412 2.925,413 2.119,414 4.167,415 2.491,416 1.559,417 2.095,418 0.03,419 3.36,420 1.462,421 2.674,422 1.861,423 3.937,424 2.459,425 1.475,426 1.748,428 3.315,429 1.433,430 25.833,431 0.478,432 1.294,433 0.024,434 68.25,435 1.264,436 33,437 0.611,438 35.25,439 0.653,440 56.571,441 1.048,442 58.767,443 0.612,444 65.445,445 1.212,446 13.329,447 0.247,448 12.72,449 0.236,450 0.121,452 0.306,454 0.836,455 1.291,456 0.767,457 0.962,458 0.672,459 0.913,460 0.669,461 1.098,462 1.006,463 1.124,464 0.533,465 1,466 1.118,467 1.013,468 0.953,469 0.924,470 1.098,471 0.972,472 1.097,473 1.098,474 0.934,475 1.023,476 1.118,477 0.993,478 1.138,479 0.997,480 0.995,481 0.971,482 1.091,483 0.994,484 1.141,485 1.102,486 0.936,487 1.034,488 1.116,489 1.029,490 1.348,491 1.009,492 1.009,493 0.974,494 1.293,495 0.977,496 1.111,497 0.935,498 1.023,499 1.001,500 1.13,501 0.962,502 11,503 0.409,504 4.667,505 3.819,506 2.902,507 1.772,508 1.229,509 0.881,510 0.699,511 0.536,512 72760,513 219020,514 2.035,515 43.8,516 3,517 25,518 2,520 8,521 2,522 2,524 1.864,525 1.906,526 4.432,527 4.262,530 166.1,531 1.73,532 4.159,533 5.501,534 6.09,535 6.236,536 6.236,537 3.933,538 5.468,539 5.718,540 4.72,541 6754.48,542 10.164,543 166086,546 632.156,547 1.399,548 5.685,549 0.19,550 0.006,551 0.06,552 0.047,553 0.035,554 0.021,555 0.015,556 0.011,557 0.009,558 0.008,559 0.402,560 0.17,561 0.38,562 0.728,563 344.544,564 -0.108,565 -0.076,566 0.042,567 0.045,568 -0.09,569 0.041,570 0.187,571 0.042,572 -0.002,573 -0.055,574 0.11,575 -0.022,576 -0.048,577 0.039,578 -0.054,579 0.014,580 -0.092,581 -0.026,582 -0.058,583 -0.093,584 0.046,585 -0.019,586 -0.047,587 -0.008,588 -0.025,589 0.02,590 -0.066,591 -0.032,592 0.007,593 -0.041,594 -0.103,595 -0.136,596 -0.03,597 -0.088,598 -0.055,599 -0.046,600 -0.09,601 -0.04,602 -0.051,603 -0.032,604 -0.04,605 -0.023,606 0.049,607 0.019,608 -0.036,609 -0.013,610 0.026,611 0.025,612 2.556,613 6.53,614 0.519,615 115.24,616 1.01,617 1.13,618 2.334,619 5.448,620 0.675,621 4.078,622 4.369,623 4.575,624 4.82,625 5.011,626 5.124,627 5.252,628 5.352,629 5.455,630 5.557,631 13.644,632 0.642,633 771.03,634 4.078,635 5.609,636 6.431,637 7.291,638 8.133,639 9.001,640 9.855,641 10.73,642 11.594,643 12.473,644 10.4,645 2,649 5,651 2,652 1,654 13,655 1,657 1,658 8,660 23,661 1,667 1,669 96,670 29,671 3,672 58,673 100,674 37,675 21,676 6,677 12,678 2,679 5,680 6,682 1,683 1,684 1,687 2,688 27,689 10,691 6,692 4,694 2,695 6,699 42,700 15,701 8,702 17,703 2,705 10,706 0.8,707 5,712 1,713 3,714 1,717 1,719 2,720 1,725 2,731 4,732 1,733 2,734 2,737 54,738 2,740 7,741 4,742 1,743 1,744 1,745 1,747 1,749 5.2,752 4,754 1,755 28.333,756 17.3,757 12,758 5.325,759 4.082,760 1.449,761 0.973,762 15.277,763 13.166,764 4.337,765 4.866,766 5.333,767 5.858,768 6.306,769 6.525,770 6.858,771 7.143,772 7.441,773 7.743,774 0.938,775 82,776 20.067,777 8.484,778 7.895,779 37.525,780 29.899,781 2.395,782 129.333,785 400.217,786 264.372,787 191.318,789 111.58,791 63.497,792 200.875,793 511.797,794 191.318,795 17.222,796 156.634,797 121.364,798 134.236,799 68.142,800 29.717,801 440.172,803 400.217,804 392.193,805 111.58,806 63.497,807 376.675,808 135.122,810 202.288,811 173.12,812 16.786,813 63.497,814 400.217,815 302.898,816 264.372,817 400.217,818 125.786,819 141.71,820 72.043,821 227.731,822 400.217,823 302.898,824 264.372,825 0.572,826 0.316,827 0.17,828 0.092,829 31,830 16,831 0.16,832 16,833 1,834 1.071,835 6.2,836 554.91,837 0.071,838 28,839 306.764,840 2,841 40.699,842 20.27,843 12.542,845 302.898,846 23.561,847 4.328,849 1.361,850 5.281,852 137.837,853 967.487,854 75.5,855 51.304,857 8.663,858 -0.994,859 96.945,860 108.513,861 0.263,862 0.632,863 0.835,864 0.925,865 0.947,866 0.947,867 5.567,868 2.275,869 6.399,870 6.139,871 5.056,872 5.555,873 3.975,874 7.157,875 4.961,876 6.751,877 2.241,878 7.923,879 6.091,880 4.575,881 5.263,882 2.831,883 7.949,884 4.474,885 8.035,886 2.184,887 9.547,888 6.071,889 6.597,890 7.63,891 5.738,892 11.055,893 6.421,894 9.35,895 1.857,896 11.23,897 5.95,898 6.919,899 8.123,900 4.432,901 12.721,902 6.734,903 10.695,904 1.79,905 12.955,906 5.34,907 8.403,908 9.975,909 7.908,910 15.359,911 8.16,912 12.06,913 1.703,914 14.711,915 4.724,916 9.118,917 10.856,918 5.908,919 17.429,920 8.858,921 13.442,922 1.559,923 16.491,924 4.342,925 10.38,926 12.479,927 10.213,928 19.914,929 10.077,930 3.257,931 1.475,932 18.291,933 3.36,934 11.301,935 13.574,936 7.345,937 22.174,938 10.975,939 2.824,940 11.438,941 20.108,942 3.315,943 12.474,944 15.083,945 12.561,946 24.611,947 12.114,948 2.763,949 9.38,950 21.939,951 4.146,952 13.504,953 16.301,954 8.767,955 26.961,956 13.118,957 2.715,958 8.388,959 23.783,960 3.791,961 14.648,962 17.752,963 14.924,964 29.387,965 14.232,966 2.586,967 7.971,968 25.637,969 3.672,970 15.736,971 19.042,972 10.183,973 31.779,974 15.294,975 2.449,976 7.652,977 27.501,978 3.662,979 16.876,980 20.463,981 17.292,982 34.205,983 16.406,984 2.38,985 7.093,986 29.372,987 3.17,988 17.997,989 21.797,990 11.597,991 36.617,992 17.5,993 69312,994 120503,995 38.372,996 64.807,997 86.212,998 91.985,999 87.661,1000 84.723,1001 84.831,1002 108.332,1003 30.045,1004 233.339,1005 80.654,1006 5.532,1007 6.25,1008 6.65,1009 5.369,1010 5.257,1011 7.146,1012 6.545,1013 19.055,1014 5.159,1015 31.416,1016 1.486,1017 1.586,1018 1.511,1019 1.461,1020 1.463,1021 1.868,1022 0.518,1023 4.023,1024 1.391,1025 4.052,1026 4.083,1027 4.235,1028 3.966,1029 7.437,1030 3.97,1031 3.925,1032 3.958,1033 4.007,1034 3.861,1035 7.428,1036 3.852,1037 3.865,1038 3.896,1039 3.862,1040 3.841,1041 7.427,1042 3.772,1043 3.847,1044 3.873,1045 3.832,1046 3.767,1047 7.424,1048 3.766,1049 3.763,1050 3.816,1051 3.79,1052 3.589,1053 5.336,1054 3.59,1055 3.634,1056 3.679,1057 3.634,1058 3.448,1059 4.907,1060 3.453,1061 3.601,1062 3.657,1063 3.571,1064 3.418,1065 4.805,1066 3.402,1067 3.473,1068 3.549,1069 3.478,1070 3.283,1071 4.756,1072 3.285,1073 0.079,1074 0.073,1075 0.119,1076 0.073,1077 0.056,1078 4.558,1079 0.071,1080 4.25,1081 0.056,1082 6.875,1083 0.197,1084 4.227,1085 0.054,1086 3.257,1087 4.146,1088 3.272,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.047,1094 2.044,1095 1.228,1096 2.045,1097 1.914,1098 1.884,1099 2.036,1100 2.016,1101 1.171,1102 2.022,1103 1.835,1104 1.809,1105 1.951,1106 1.956,1107 1.132,1108 1.953,1109 1.717,1110 1.662,1111 1.931,1112 1.926,1113 1.108,1114 1.928,1115 1.597,1116 1.558,1117 1.76,1118 1.83,1119 1.039,1120 1.805,1121 1.576,1122 1.53,1123 1.715,1124 1.782,1125 0.856,1126 1.786,1127 1.465,1128 1.421,1129 1.624,1130 1.761,1131 0.825,1132 1.725,1133 1.453,1134 1.402,1135 1.591,1136 1.647,1137 0.751,1138 1.661,1139 4.762,1140 6.061,1141 2.398,1142 7.527,1143 4.727,1144 9.074,1145 6.843,1146 10.671,1147 3.551,1150 10.746,1152 2.719,1153 11.127,1154 5.806,1155 1.634,1156 -1.222,1157 1.468,1159 61.591,1160 166.1,1161 399.283,1162 528.117,1163 584.647,1164 598.647,1165 598.647,1166 150.696,1167 9.084,1168 218.52,1169 272.06,1170 30,1171 13.013,1172 4.907,1173 4.209,1174 103.154,1175 437,1176 528,1177 0.109,1178 389.14,1179 689.35,1180 941.262,1181 179109,1183 38.451,1184 0.712,1185 0.583,1186 39.158,1187 31.467,1188 26.05,1189 0.449,1190 0.329,1191 16.947,1192 24.071,1193 16.349,1194 13.58,1195 27.004,1196 19.063,1197 23.382,1198 0.3,1199 0.18,1200 24.457,1201 14.035,1202 18.138,1203 0.189,1204 0.1,1205 19.353,1206 9.626,1207 14.942,1208 0.121,1209 0.056,1210 16.255,1211 6.881,1212 11.572,1213 0.078,1214 0.031,1215 12.678,1216 4.569,1217 0.182,1218 173.206,1219 0.161,1220 47.324,1221 0.27,1222 272,1223 864.935,1224 345.36,1225 873.201,1226 1166.88,1227 814,1228 310,1229 807.335,1230 372.854,1231 838.61,1232 1216.81,1233 785,1234 5.678}
{0 CHEMBL33398,1 1.564,2 27.8,3 4.722,4 22.298,5 226.738,6 7.295,7 0.369,8 4.8,9 4.925,10 4.336,11 4.296,12 5.894,13 4.283,14 5.353,15 5.532,16 4.669,17 4.679,18 6.461,19 4.634,20 5.646,21 5.862,22 4.758,23 4.844,24 6.692,25 4.777,26 5.701,27 5.927,28 4.768,29 4.833,30 6.825,31 4.766,32 5.683,33 5.899,34 4.777,35 4.851,36 6.83,37 4.782,38 5.703,39 5.925,40 4.751,41 4.846,42 6.806,43 4.773,44 5.703,45 5.935,46 4.689,47 4.787,48 6.87,49 4.707,50 5.615,51 5.853,52 4.57,53 4.693,54 6.708,55 4.611,56 0.092,57 1.649,58 23.487,59 9.87,60 16.653,61 13.247,62 0.863,63 2.604,64 45.238,65 16.182,66 74.591,67 22.642,68 0.939,69 3.216,70 64.143,71 21.536,72 119.077,73 30.33,74 1.252,75 3.252,76 69.755,77 22.248,78 172.161,79 31.558,80 1.307,81 3.243,82 67.553,83 22.114,84 166.648,85 31.183,86 0.942,87 3.275,88 68.951,89 22.651,90 142.053,91 32.03,92 1.471,93 3.163,94 70.909,95 22.013,96 199.346,97 31.299,98 1.103,99 2.86,100 65.256,101 20.387,102 150.845,103 28.917,104 37,105 86,106 0.221,107 0.521,108 0.721,109 0.851,110 0.892,111 0.898,112 4.112,113 0.935,114 -3.63,115 -3.6,116 -3.43,117 40.2,119 5,121 1,122 8,125 1,132 17,133 4,134 3,140 1,141 3,142 2,150 20,152 2,153 13,156 7,157 1,158 5,161 20,165 2,166 12,169 2,170 1,171 2,174 12,177 2,178 15,181 4,182 1,183 6,185 11,188 3,189 13,191 6,193 9,195 15,198 1,199 13,204 11,206 12,209 3,210 19,213 3,214 2,215 9,217 7,220 1,221 13,223 1,225 7,227 8,230 4,231 6,234 5,235 1,236 3,239 17,243 11776,244 40.827,245 40.827,246 40.827,247 40.827,248 40.827,249 37.071,250 52.972,251 24.997,252 41.544,253 32.182,254 32.182,255 32.182,256 32.182,257 32.182,258 26.264,259 70.752,260 12.04,261 33.234,262 5.243,263 3.123,264 1.702,265 0.785,266 0.496,267 0.453,268 4.818,273 3624,274 5.745,276 1170.35,277 228.273,280 380.14,282 4.427,283 71.453,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 131,294 1668,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.204,302 11.429,303 3.155,304 4.104,305 3.75,306 6.31,307 3.774,308 2.794,309 3.685,310 2.166,311 9.331,312 2.731,313 4.086,314 3.645,315 5.941,316 3.72,317 2.755,318 3.676,319 2.062,320 8.331,321 2.665,322 4.048,323 3.533,324 5.684,325 3.705,326 2.728,327 3.53,328 1.722,329 8.011,330 2.663,331 3.886,332 3.368,333 5.646,334 3.562,335 2.57,336 3.171,337 1.653,338 7.861,339 2.566,340 3.829,341 3.188,342 5.327,343 3.538,344 2.551,345 3.035,346 0.916,347 6.946,348 2.491,349 3.677,350 3.06,351 5.313,352 3.392,353 2.461,354 2.88,355 0.86,356 6.863,357 2.288,358 3.582,359 2.847,360 5.244,361 3.339,362 2.39,363 2.79,364 0.85,365 6.568,366 2.259,367 3.565,368 2.823,369 5.107,370 3.214,371 2.23,372 2.713,373 0.814,374 6.041,375 2.16,376 3.406,377 2.791,378 4.977,379 3.052,380 2.066,381 2.694,382 0.488,383 5.791,384 2.026,385 3.38,386 2.33,387 4.851,388 2.987,389 2.022,390 2.498,391 0.219,392 5.574,393 1.946,394 3.238,395 2.312,396 4.677,397 2.962,398 1.999,399 2.421,400 0.215,401 5.113,402 1.909,403 3.218,404 2.245,405 4.656,406 2.807,407 1.815,408 2.346,409 0.172,410 4.977,411 1.791,412 2.958,413 1.899,414 4.203,415 2.546,416 1.569,417 2.118,418 0.141,419 3.531,420 1.533,421 2.776,422 1.833,423 4.003,424 2.542,425 1.554,426 1.896,427 0.109,428 3.28,429 1.524,430 28.033,431 0.467,432 1.218,433 0.02,434 73.75,435 1.229,436 34.5,437 0.575,438 39.25,439 0.654,440 61.307,441 1.022,442 66.167,443 0.591,444 74.455,445 1.241,446 15.08,447 0.251,448 14.132,449 0.236,450 0.077,452 0.278,454 0.766,455 1.424,456 0.811,457 1.168,458 0.555,459 1.015,460 0.738,461 1.109,462 0.95,463 1.047,464 0.538,465 1.031,466 1.041,467 1.057,468 1.002,469 1.016,470 0.954,471 1.001,472 1.106,473 1.02,474 0.975,475 0.96,476 1.057,477 0.947,478 1.043,479 1.015,480 1.011,481 0.989,482 1.05,483 0.994,484 1.122,485 1.151,486 1.017,487 1.081,488 1.18,489 1.036,490 1.134,491 0.978,492 1.054,493 0.982,494 1.136,495 0.998,496 1.243,497 0.999,498 1.033,499 0.962,500 1.25,501 0.96,502 10.5,503 0.299,504 4.667,505 3.875,506 2.959,507 1.691,508 1.353,509 0.798,510 0.626,511 0.446,512 110820,513 276098,514 2.079,515 46.4,516 2,517 36,518 1,520 5,521 2,522 4,523 2,524 1.883,525 1.978,526 4.634,527 1.874,530 175.216,531 1.564,532 3.684,533 5.105,534 6.022,535 6.312,536 6.354,537 4.061,538 5.674,539 5.88,540 4.947,541 8755.74,542 10.453,543 248772,546 762.424,547 1.258,548 5.853,549 0.162,550 0.004,551 0.054,552 0.042,553 0.033,554 0.018,555 0.015,556 0.01,557 0.009,558 0.006,559 0.353,560 0.17,561 0.5,562 0.431,563 399.456,564 -0.052,565 -0.171,566 0.044,567 -0.057,568 -0.029,569 0.001,570 0.156,571 0.048,572 -0.021,573 -0.022,574 0.089,575 -0.051,576 -0.058,577 -0.008,578 -0.027,579 -0.02,580 -0.052,581 -0.019,582 0.001,583 -0.015,584 0.03,585 0.016,586 0.031,587 0.024,588 0.04,589 0.013,590 -0.019,591 -0.001,592 0.024,593 -0.02,594 -0.076,595 -0.144,596 -0.027,597 -0.088,598 -0.059,599 -0.053,600 0.032,601 0.008,602 -0.034,603 -0.02,604 0.044,605 -0.034,606 -0.09,607 -0.037,608 -0.012,609 0.007,610 -0.056,611 0.013,612 2.533,613 6.459,614 0.583,615 129.884,616 1.005,617 1.13,618 2.404,619 5.778,620 0.652,621 4.19,622 4.466,623 4.682,624 4.92,625 5.13,626 5.193,627 5.318,628 5.407,629 5.472,630 5.517,631 16.158,632 0.623,633 817.05,634 4.19,635 5.714,636 6.535,637 7.387,638 8.226,639 9.086,640 9.935,641 10.801,642 11.658,643 12.529,644 7.1,647 1,649 6,651 1,654 17,658 7,660 24,661 1,667 1,669 112,670 30,671 4,672 65,673 117,674 45,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 5,688 30,689 15,691 6,692 5,694 1,695 6,699 52,700 15,701 5,702 15,705 8,706 0.833,707 7,713 5,714 1,717 1,719 2,720 1,727 1,728 1,731 5,734 1,737 60,740 13,741 5,742 2,744 1,745 2,749 6.3,752 5,754 2,755 30.333,756 19.767,757 13.417,758 6.751,759 4.239,760 1.452,761 0.968,762 16.787,763 13.617,764 4.431,765 4.92,766 5.371,767 5.874,768 6.358,769 6.502,770 6.841,771 7.131,772 7.388,773 7.621,774 0.944,775 92,776 22.41,777 9.519,778 7.833,779 42.391,780 34.216,781 2.333,782 140,785 553.242,786 255.392,787 113.088,789 147.724,792 255.392,793 700.966,794 113.088,795 8.396,796 127.67,797 161.096,798 142.595,799 65.409,800 22.809,801 541.471,803 553.242,804 368.48,805 147.724,807 482.615,808 218.351,810 147.58,811 220.901,814 553.242,815 260.812,816 255.392,817 553.242,818 85.9,819 175.741,820 90.054,821 164.51,822 553.242,823 260.812,824 255.392,825 0.567,826 0.319,827 0.174,828 0.095,829 34,830 16,831 0.154,832 18,833 1,834 1.057,835 6.854,836 625.827,837 0.057,838 35,839 346.413,841 44.145,842 22.817,843 13.822,845 260.812,846 31.696,850 5.261,852 90.054,853 1069.45,854 83,855 63.41,857 4.7,858 -2.066,859 112.545,860 126.587,861 0.23,862 0.541,863 0.75,864 0.885,865 0.927,866 0.933,867 5.656,868 2.39,869 6.485,870 6.863,871 5.153,872 5.609,873 3.697,874 7.228,875 5.092,876 6.812,877 2.23,878 7.996,879 6.568,880 4.575,881 5.223,882 3.065,883 7.98,884 4.501,885 8.081,886 2.066,887 9.608,888 6.041,889 6.676,890 7.631,891 4.737,892 11.098,893 6.552,894 9.379,895 2.022,896 11.282,897 5.791,898 6.929,899 8.044,900 4.79,901 12.744,902 6.787,903 10.71,904 1.999,905 13,906 5.574,907 8.462,908 9.937,909 6.036,910 15.38,911 8.281,912 12.062,913 1.815,914 14.75,915 5.113,916 9.131,917 10.75,918 6.39,919 17.438,920 8.929,921 13.434,922 1.569,923 16.525,924 4.977,925 10.42,926 12.412,927 7.438,928 19.918,929 10.184,930 3.254,931 1.554,932 18.321,933 3.531,934 11.312,935 13.453,936 7.955,937 22.173,938 11.05,939 2.794,940 11.429,941 20.133,942 3.28,943 12.496,944 14.992,945 8.894,946 24.607,947 12.204,948 2.755,949 9.331,950 21.96,951 4.133,952 13.509,953 16.171,954 9.509,955 26.953,956 13.187,957 2.728,958 8.331,959 23.8,960 3.685,961 14.655,962 17.643,963 10.384,964 29.377,965 14.304,966 2.57,967 8.011,968 25.651,969 3.676,970 15.733,971 18.907,972 11.058,973 31.768,974 15.351,975 2.551,976 7.861,977 27.511,978 3.53,979 16.873,980 20.342,981 11.894,982 34.192,983 16.46,984 2.461,985 6.946,986 29.38,987 3.171,988 17.987,989 21.659,990 12.606,991 36.604,992 17.543,993 103078,994 163333,995 43.917,996 72.978,997 95.458,998 99.256,999 96.782,1000 94.243,1001 94.29,1002 117.966,1003 29.241,1004 255.152,1005 91.547,1006 5.553,1007 5.906,1008 6.675,1009 5.31,1010 5.254,1011 7.133,1012 3.951,1013 19.038,1014 5.155,1015 28.495,1016 1.469,1017 1.527,1018 1.489,1019 1.45,1020 1.451,1021 1.815,1022 0.45,1023 3.925,1024 1.408,1025 4.057,1026 4.092,1027 4.009,1028 3.969,1029 7.446,1030 3.973,1031 3.958,1032 3.995,1033 3.891,1034 3.872,1035 7.435,1036 3.872,1037 3.925,1038 3.956,1039 3.864,1040 3.847,1041 7.432,1042 3.847,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.85,1051 3.695,1052 3.654,1053 7.413,1054 3.646,1055 3.776,1056 3.825,1057 3.662,1058 3.562,1059 4.889,1060 3.585,1061 3.652,1062 3.716,1063 3.579,1064 3.428,1065 4.838,1066 3.453,1067 3.629,1068 3.677,1069 3.535,1070 3.417,1071 4.764,1072 3.434,1073 0.07,1074 0.06,1075 0.106,1076 0.065,1077 0.05,1078 4.553,1079 0.064,1080 3.906,1081 0.034,1082 6.873,1083 0.176,1084 4.224,1085 0.049,1086 3.254,1087 4.133,1088 2.204,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.04,1101 1.197,1102 2.046,1103 1.912,1104 1.885,1105 2.022,1106 2.02,1107 1.169,1108 2.02,1109 1.837,1110 1.806,1111 1.985,1112 1.954,1113 1.148,1114 1.963,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.128,1120 1.948,1121 1.687,1122 1.634,1123 1.894,1124 1.922,1125 1.076,1126 1.913,1127 1.597,1128 1.532,1129 1.839,1130 1.843,1131 1.036,1132 1.844,1133 1.575,1134 1.525,1135 1.715,1136 1.817,1137 0.852,1138 1.794,1139 4.875,1140 6.163,1142 7.629,1143 2.708,1144 9.177,1145 5.46,1146 10.772,1147 1.644,1152 8.136,1153 13.302,1154 11.173,1156 -1.2,1157 3.944,1159 69.764,1160 175.216,1161 412.659,1162 571.801,1163 674.508,1164 706.914,1165 711.669,1166 163.531,1167 9.378,1168 182.8,1169 182.8,1170 37,1171 13.075,1172 4.954,1173 4.248,1174 108.391,1175 597,1176 600,1177 0.083,1178 427.7,1179 771.31,1180 1035.35,1181 298304,1183 42.108,1184 0.702,1185 0.563,1186 42.108,1187 33.784,1188 29.212,1189 0.449,1190 0.312,1191 19.954,1192 28.006,1193 19.582,1194 16.222,1195 29.212,1196 20.264,1197 25.553,1198 0.297,1199 0.169,1200 25.553,1201 14.525,1202 20.444,1203 0.191,1204 0.093,1205 20.444,1206 9.916,1207 16.855,1208 0.124,1209 0.051,1210 16.855,1211 6.909,1212 13.412,1213 0.08,1214 0.028,1215 13.412,1216 4.692,1217 0.142,1218 183.794,1219 0.151,1220 51.981,1221 0.2,1222 302,1223 934.748,1224 336.53,1225 887.559,1226 1188.06,1227 830,1228 344,1229 843.133,1230 376.295,1231 847.638,1232 1232.62,1233 797,1234 5.086}
{0 CHEMBL33412,1 1.528,2 29.254,3 5.18,4 26.833,5 242.907,6 7.034,7 0.348,8 4.885,9 5.015,10 4.399,11 4.373,12 5.921,13 4.353,14 5.461,15 5.653,16 4.734,17 4.77,18 6.487,19 4.719,20 5.755,21 5.982,22 4.833,23 4.96,24 6.726,25 4.877,26 5.836,27 6.074,28 4.815,29 4.959,30 6.828,31 4.868,32 5.835,33 6.079,34 4.826,35 4.953,36 6.884,37 4.863,38 5.807,39 6.049,40 4.802,41 4.936,42 6.808,43 4.848,44 5.802,45 6.037,46 4.737,47 4.885,48 6.881,49 4.793,50 5.732,51 5.979,52 4.618,53 4.804,54 6.737,55 4.701,56 0.039,57 1.82,58 27.058,59 10.781,60 14.937,61 15.084,62 0.87,63 2.917,64 52.415,65 17.386,66 70.611,67 25.453,68 0.93,69 3.614,70 72.493,71 24.365,72 102.103,73 35.312,74 0.953,75 3.692,76 80.26,77 25.915,78 133.016,79 37.759,80 1.383,81 3.696,82 80.923,83 25.02,84 168.061,85 37.078,86 0.783,87 3.618,88 77.619,89 25.074,90 113.706,91 36.733,92 1.349,93 3.447,94 78.803,95 24.389,96 177.199,97 35.153,98 1.054,99 3.19,100 73.632,101 23.054,102 141.545,103 33.505,104 26,105 92,106 0.213,107 0.501,108 0.704,109 0.847,110 0.881,111 0.885,112 4.16,113 0.957,114 -3.78,115 -3.74,116 -3.55,117 39.3,119 4,121 1,122 13,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 20,152 3,153 11,156 5,157 1,158 3,161 20,165 3,166 12,169 5,171 2,174 12,177 1,178 14,181 2,183 6,185 10,188 6,189 15,191 3,193 8,195 15,199 11,202 2,204 10,206 12,209 3,210 18,213 2,214 1,215 8,217 7,220 2,221 14,223 1,225 5,227 6,230 2,231 8,234 3,235 2,236 1,239 14,243 13556,244 43.188,245 43.188,246 43.188,247 43.188,248 43.188,249 39.612,250 58.14,251 26.294,252 44.102,253 34.143,254 34.143,255 34.143,256 34.143,257 34.143,258 28.531,259 80.119,260 12.633,261 35.522,262 5.403,263 3.335,264 1.873,265 0.848,266 0.603,267 0.58,268 4.873,273 4036,274 5.477,276 1494.48,277 242.79,280 403.728,282 4.805,283 65.841,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 136.5,294 1843,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.204,302 11.429,303 3.155,304 4.104,305 3.725,306 6.31,307 3.774,308 2.822,309 3.685,310 2.062,311 9.331,312 2.731,313 4.086,314 3.645,315 6.029,316 3.773,317 2.794,318 3.676,319 1.985,320 8.588,321 2.68,322 4.048,323 3.533,324 5.941,325 3.72,326 2.755,327 3.53,328 1.653,329 8.331,330 2.665,331 3.961,332 3.188,333 5.684,334 3.705,335 2.728,336 3.171,337 0.916,338 8.011,339 2.663,340 3.886,341 3.06,342 5.646,343 3.538,344 2.57,345 3.11,346 0.86,347 7.861,348 2.491,349 3.681,350 2.857,351 5.327,352 3.392,353 2.461,354 2.881,355 0.85,356 6.945,357 2.288,358 3.585,359 2.843,360 5.317,361 3.38,362 2.44,363 2.792,364 0.814,365 6.868,366 2.281,367 3.565,368 2.823,369 5.243,370 3.3,371 2.35,372 2.713,373 0.8,374 6.565,375 2.233,376 3.447,377 2.791,378 5.106,379 3.197,380 2.219,381 2.694,382 0.624,383 6.03,384 2.129,385 3.405,386 2.333,387 4.972,388 2.987,389 2.023,390 2.468,391 0.488,392 5.786,393 1.946,394 3.239,395 2.312,396 4.851,397 2.974,398 2.02,399 2.418,400 0.375,401 5.573,402 1.916,403 3.217,404 2.245,405 4.676,406 2.807,407 1.815,408 2.346,409 0.219,410 4.978,411 1.79,412 2.958,413 2.209,414 4.231,415 2.718,416 1.769,417 2.118,418 0.172,419 4.054,420 1.675,421 2.809,422 1.963,423 4.203,424 2.543,425 1.555,426 1.896,427 0.141,428 3.531,429 1.532,430 29.6,431 0.47,432 1.232,433 0.02,434 75,435 1.19,436 33,437 0.524,438 42,439 0.667,440 68.614,441 1.089,442 70,443 0.574,444 74.645,445 1.185,446 15.191,447 0.241,448 15.593,449 0.248,450 0.062,452 0.274,454 0.792,455 1.517,456 0.839,457 1.219,458 0.557,459 1.057,460 0.87,461 1.095,462 0.996,463 1,464 0.55,465 1.001,466 0.971,467 1.02,468 1.003,469 1.024,470 0.853,471 1.015,472 1.166,473 1.1,474 1.003,475 1.032,476 1.197,477 1.002,478 1.081,479 0.96,480 0.99,481 0.917,482 1.1,483 0.934,484 1.099,485 1.072,486 0.974,487 1.034,488 1.095,489 0.988,490 1.349,491 1.009,492 1.106,493 1.005,494 1.47,495 1.02,496 1.312,497 1.012,498 1.065,499 0.986,500 1.38,501 0.993,502 10.5,503 0.336,504 5.333,505 3.75,506 2.981,507 1.934,508 1.433,509 0.744,510 0.688,511 0.438,512 130742,513 303361,514 2.112,515 48.4,516 2,517 46,518 1,520 4,522 4,523 2,524 1.893,525 2.021,526 4.708,527 1.181,530 186.357,531 1.528,532 3.595,533 5.058,534 6.083,535 6.328,536 6.351,537 4.151,538 5.723,539 5.949,540 5.023,541 9810.75,542 10.591,543 291299,546 845.55,547 1.203,548 5.929,549 0.152,550 0.005,551 0.058,552 0.038,553 0.031,554 0.02,555 0.015,556 0.009,557 0.009,558 0.006,559 0.343,560 0.17,561 0.5,562 0.385,563 425.437,564 -0.032,565 -0.24,566 0.06,567 -0.088,568 -0.015,569 -0.013,570 0.107,571 0.082,572 -0.03,573 0.015,574 0.085,575 -0.021,576 0.003,577 0.044,578 -0.023,579 -0.02,580 0.006,581 -0.026,582 -0.061,583 -0.106,585 -0.042,586 -0.037,587 -0.018,588 0.047,589 0.049,590 0.022,591 0.049,592 0.045,593 0.033,594 -0.061,595 -0.064,596 0.022,597 -0.048,598 -0.022,599 -0.004,600 -0.037,601 -0.029,602 -0.076,603 -0.035,604 -0.044,605 -0.058,606 -0.094,607 -0.052,608 -0.042,609 -0.014,610 -0.074,611 -0.022,612 2.508,613 6.503,614 0.651,615 147.046,616 1,617 1.132,618 2.545,619 6.479,620 0.646,621 4.248,622 4.533,623 4.771,624 5.004,625 5.231,626 5.298,627 5.412,628 5.489,629 5.565,630 5.617,631 16.965,632 0.612,633 858.16,634 4.248,635 5.778,636 6.608,637 7.462,638 8.308,639 9.169,640 10.023,641 10.89,642 11.75,643 12.621,644 7.4,646 1,647 2,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 122,670 29,671 4,672 69,673 128,674 48,675 24,676 7,677 17,678 1,679 7,680 8,683 1,685 3,687 4,688 29,689 19,691 5,692 4,694 1,695 5,699 59,700 15,701 4,702 15,705 9,706 0.857,707 6,713 6,714 1,717 1,720 2,726 1,727 2,728 1,731 6,734 1,737 63,740 17,741 4,742 2,744 1,745 4,749 4.9,752 4,754 2,755 31.167,756 21.5,757 14.028,758 7.51,759 4.311,760 1.433,761 0.975,762 17.131,763 14.267,764 4.466,765 4.949,766 5.412,767 5.896,768 6.387,769 6.534,770 6.861,771 7.144,772 7.4,773 7.632,774 0.947,775 99,776 23.536,777 9.989,778 7.704,779 45.286,780 37.079,781 2.204,782 138.833,785 647.411,786 258.682,787 101.326,789 122.579,792 258.682,793 769.99,794 101.326,795 8.396,796 102.767,797 179.107,798 112.746,799 68.533,800 22.809,801 635.64,803 647.411,804 360.008,805 122.579,807 576.784,808 193.206,810 143.811,811 216.196,814 647.411,815 223.905,816 258.682,817 647.411,818 89.189,819 181.99,820 72.043,821 139.365,822 647.411,823 223.905,824 258.682,825 0.569,826 0.326,827 0.176,828 0.098,829 38,830 17,831 0.141,832 18,833 1,834 1.049,835 7.141,836 676.323,837 0.049,838 41,839 364.569,841 45.88,842 23.524,843 13.681,845 223.905,846 32.344,850 5.596,852 72.043,853 1130,854 86,855 52.087,857 4.731,858 -0.868,859 121.97,860 138.121,861 0.22,862 0.519,863 0.73,864 0.878,865 0.913,866 0.916,867 5.7,868 2.44,869 6.558,870 6.945,871 5.22,872 5.638,873 3.578,874 7.31,875 5.145,876 6.848,877 2.35,878 8.076,879 6.868,880 4.635,881 5.223,882 2.906,883 8.08,884 4.525,885 8.114,886 2.219,887 9.694,888 6.565,889 6.753,890 7.644,891 4.538,892 11.192,893 6.6,894 9.41,895 2.023,896 11.374,897 6.03,898 7.013,899 8.05,900 4.592,901 12.844,902 6.828,903 10.739,904 2.02,905 13.098,906 5.786,907 8.552,908 9.946,909 5.809,910 15.467,911 8.329,912 12.092,913 1.815,914 14.852,915 5.573,916 9.227,917 10.758,918 6.17,919 17.518,920 8.975,921 13.464,922 1.769,923 16.629,924 4.978,925 10.516,926 12.419,927 7.191,928 19.985,929 10.232,930 3.254,931 1.555,932 18.425,933 4.054,934 11.409,935 13.46,936 7.712,937 22.228,938 11.096,939 2.822,940 11.429,941 20.237,942 3.531,943 12.592,944 14.998,945 8.628,946 24.651,947 12.25,948 2.794,949 9.331,950 22.062,951 4.133,952 13.601,953 16.176,954 9.241,955 26.989,956 13.231,957 2.755,958 8.588,959 23.898,960 3.685,961 14.745,962 17.647,963 10.097,964 29.405,965 14.346,966 2.728,967 8.331,968 25.744,969 3.676,970 15.818,971 18.911,972 10.766,973 31.789,974 15.39,975 2.57,976 8.011,977 27.6,978 3.53,979 16.952,980 20.345,981 11.588,982 34.209,983 16.496,984 2.461,985 7.861,986 29.463,987 3.171,988 18.061,989 21.662,990 12.292,991 36.617,992 17.576,993 120319,994 184028,995 47.095,996 78.813,997 101.764,998 104.795,999 102.972,1000 100.638,1001 100.618,1002 123.23,1003 28.387,1004 274.458,1005 96.97,1006 5.553,1007 5.906,1008 6.699,1009 5.311,1010 5.254,1011 7.133,1012 3.951,1013 19.038,1014 5.155,1015 26.881,1016 1.475,1017 1.519,1018 1.492,1019 1.459,1020 1.458,1021 1.786,1022 0.411,1023 3.978,1024 1.405,1025 4.062,1026 4.099,1027 4.011,1028 3.971,1029 7.438,1030 3.974,1031 3.961,1032 3.999,1033 3.893,1034 3.873,1035 7.432,1036 3.873,1037 3.926,1038 3.959,1039 3.864,1040 3.847,1041 7.426,1042 3.847,1043 3.871,1044 3.936,1045 3.775,1046 3.764,1047 7.424,1048 3.758,1049 3.829,1050 3.862,1051 3.758,1052 3.67,1053 4.891,1054 3.684,1055 3.792,1056 3.847,1057 3.662,1058 3.651,1059 4.838,1060 3.645,1061 3.678,1062 3.748,1063 3.581,1064 3.479,1065 4.764,1066 3.481,1067 3.636,1068 3.682,1069 3.553,1070 3.418,1071 4.681,1072 3.452,1073 0.066,1074 0.057,1075 0.1,1076 0.061,1077 0.047,1078 4.553,1079 0.06,1080 3.906,1081 0.032,1082 6.873,1083 0.166,1084 4.224,1085 0.046,1086 3.254,1087 4.133,1088 2.204,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.041,1101 1.318,1102 2.046,1103 1.912,1104 1.885,1105 2.023,1106 2.039,1107 1.203,1108 2.033,1109 1.837,1110 1.806,1111 2.001,1112 2.018,1113 1.169,1114 2.017,1115 1.802,1116 1.734,1117 1.984,1118 1.947,1119 1.148,1120 1.961,1121 1.789,1122 1.729,1123 1.961,1124 1.944,1125 1.13,1126 1.948,1127 1.643,1128 1.573,1129 1.89,1130 1.867,1131 1.036,1132 1.876,1133 1.576,1134 1.529,1135 1.746,1136 1.823,1137 1.01,1138 1.796,1139 4.934,1140 6.229,1142 7.706,1143 2.708,1144 9.265,1145 5.46,1146 10.869,1147 1.664,1152 13.336,1153 11.566,1154 11.446,1156 -1.174,1157 8.106,1159 74.651,1160 186.357,1161 438.626,1162 617.088,1163 742.124,1164 772.04,1165 774.795,1166 150.262,1167 9.956,1168 160.18,1169 160.18,1170 43,1171 13.166,1172 4.907,1173 4.17,1174 105.546,1175 658,1176 664,1177 0.073,1178 454.809,1179 815.7,1180 1101.49,1181 607354,1183 43.806,1184 0.695,1185 0.573,1186 43.806,1187 36.099,1188 30.784,1189 0.446,1190 0.319,1191 21.672,1192 29.515,1193 21.264,1194 17.566,1195 30.784,1196 22.011,1197 26.865,1198 0.292,1199 0.174,1200 26.865,1201 16.048,1202 22.213,1203 0.19,1204 0.098,1205 22.213,1206 11.432,1207 18.134,1208 0.123,1209 0.054,1210 18.134,1211 8.013,1212 14.713,1213 0.079,1214 0.03,1215 14.713,1216 5.54,1217 0.126,1218 193.431,1219 0.146,1220 54.028,1221 0.177,1222 322,1223 925.97,1224 356.758,1225 881.302,1226 1192.84,1227 828,1228 370,1229 856.173,1230 404.768,1231 862.059,1232 1259.96,1233 811,1234 6.131}
{0 CHEMBL33698,1 1.526,2 26.263,3 5.77,4 33.294,5 218.539,6 7.167,7 0.387,8 4.761,9 4.885,10 4.286,11 4.269,12 5.831,13 4.249,14 5.318,15 5.498,16 4.617,17 4.656,18 6.394,19 4.603,20 5.612,21 5.832,22 4.709,23 4.822,24 6.617,25 4.745,26 5.671,27 5.903,28 4.703,29 4.807,30 6.716,31 4.732,32 5.646,33 5.865,34 4.728,35 4.825,36 6.768,37 4.75,38 5.669,39 5.894,40 4.702,41 4.823,42 6.744,43 4.741,44 5.67,45 5.907,46 4.636,47 4.766,48 6.805,49 4.672,50 5.582,51 5.828,52 4.503,53 4.67,54 6.609,55 4.575,56 0.046,57 1.573,58 23.113,59 9.754,60 13.14,61 13.154,62 0.753,63 2.513,64 44.226,65 16.065,66 66.54,67 22.494,68 0.73,69 3.129,70 62.176,71 21.449,72 97.81,73 30.395,74 0.934,75 3.183,76 67.953,77 21.76,78 125.803,79 30.959,80 1.1,81 3.158,82 65.362,83 21.737,84 146.866,85 30.617,86 0.752,87 3.185,88 66.818,89 22.57,90 120.153,91 31.903,92 1.294,93 3.087,94 68.642,95 22.018,96 179.003,97 31.489,98 0.774,99 2.792,100 63.065,101 20.402,102 119.34,103 28.986,104 26,105 82,106 0.217,107 0.518,108 0.724,109 0.854,110 0.891,111 0.895,112 4.062,113 0.949,114 -4.54,115 -4.46,116 -4.2,117 40.7,119 6,121 1,122 7,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 21,152 2,153 12,156 6,157 1,158 5,161 20,165 2,166 13,169 2,171 4,174 12,177 1,178 17,181 2,183 6,185 11,188 3,189 15,191 4,192 1,193 8,195 16,198 1,199 12,204 10,206 13,209 3,210 18,213 4,214 1,215 9,217 10,221 13,225 5,227 11,230 2,231 8,234 4,235 1,236 3,239 20,243 10217,244 38.965,245 38.965,246 38.965,247 38.965,248 38.965,249 35.364,250 51.094,251 23.881,252 39.644,253 30.699,254 30.699,255 30.699,256 30.699,257 30.699,258 25.057,259 69.997,260 11.502,261 31.712,262 5.228,263 3.116,264 1.672,265 0.758,266 0.495,267 0.47,268 4.77,273 3263,274 5.385,276 1088.43,277 211.49,280 352.841,282 4.135,283 61.977,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 123.5,294 1497,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.204,302 11.429,303 3.155,304 4.104,305 3.645,306 6.31,307 3.774,308 2.794,309 3.685,310 2.062,311 9.331,312 2.731,313 4.086,314 3.574,315 5.941,316 3.72,317 2.755,318 3.676,319 1.907,320 8.331,321 2.665,322 4.048,323 3.533,324 5.684,325 3.705,326 2.728,327 3.53,328 1.653,329 8.011,330 2.663,331 3.886,332 3.188,333 5.646,334 3.538,335 2.569,336 3.171,337 0.916,338 7.861,339 2.491,340 3.686,341 3.06,342 5.327,343 3.403,344 2.462,345 2.882,346 0.86,347 6.945,348 2.389,349 3.651,350 2.847,351 5.244,352 3.388,353 2.412,354 2.83,355 0.85,356 6.569,357 2.288,358 3.58,359 2.823,360 5.108,361 3.328,362 2.358,363 2.786,364 0.814,365 6.11,366 2.256,367 3.564,368 2.791,369 5.037,370 3.209,371 2.225,372 2.712,373 0.488,374 6.023,375 2.153,376 3.405,377 2.33,378 4.973,379 2.988,380 2.023,381 2.694,382 0.219,383 5.788,384 1.947,385 3.238,386 2.312,387 4.851,388 2.969,389 2.014,390 2.421,391 0.172,392 5.573,393 1.913,394 3.218,395 2.245,396 4.676,397 2.808,398 1.816,399 2.346,400 0.149,401 4.978,402 1.792,403 2.958,404 1.899,405 4.203,406 2.592,407 1.618,408 2.118,409 0.141,410 3.531,411 1.569,412 2.776,413 1.833,414 4.003,415 2.543,416 1.555,417 1.896,418 0.03,419 3.363,420 1.532,421 2.723,422 1.752,423 3.733,424 2.404,425 1.431,426 1.789,428 3.091,429 1.388,430 26.8,431 0.47,432 1.112,433 0.02,434 70,435 1.228,436 33,437 0.579,438 37,439 0.649,440 58.398,441 1.025,442 62.6,443 0.58,444 68.104,445 1.195,446 14.073,447 0.247,448 13.744,449 0.241,450 0.068,452 0.272,454 0.769,455 1.401,456 0.825,457 1.163,458 0.56,459 1.02,460 0.755,461 1.1,462 0.964,463 1.045,464 0.535,465 1.033,466 0.999,467 1.087,468 0.979,469 1.029,470 0.9,471 1.002,472 1.244,473 1.026,474 1.002,475 0.943,476 1.202,477 0.933,478 1.092,479 1.001,480 1.019,481 0.983,482 1.09,483 0.987,484 1.12,485 1.155,486 1.005,487 1.083,488 1.181,489 1.034,490 1.063,491 0.986,492 1.023,493 0.984,494 1.07,495 0.993,496 1.263,497 0.991,498 1.006,499 0.954,500 1.233,501 0.941,502 9.5,503 0.282,504 4.444,505 3.5,506 2.799,507 1.58,508 1.271,509 0.767,510 0.577,511 0.386,512 95133,513 227184,514 2.094,515 47.2,516 2,517 34,518 1,520 4,521 2,522 6,523 2,524 1.872,525 2,526 4.552,527 1.219,530 164.858,531 1.526,532 3.639,533 5.082,534 5.996,535 6.259,536 6.285,537 3.982,538 5.587,539 5.805,540 4.861,541 7758.36,542 10.306,543 209209,546 729.528,547 1.22,548 5.782,549 0.153,550 0.004,551 0.054,552 0.04,553 0.033,554 0.018,555 0.015,556 0.01,557 0.008,558 0.006,559 0.341,561 0.5,562 0.41,563 373.327,564 -0.039,565 -0.162,566 0.049,567 -0.055,568 -0.024,569 0.002,570 0.168,571 0.05,572 -0.022,573 -0.021,574 0.101,575 -0.05,576 -0.029,577 -0.041,578 -0.003,579 -0.03,580 -0.024,581 -0.017,582 -0.09,583 -0.018,584 0.01,585 0.025,586 -0.057,587 0.032,588 0.035,589 0.033,590 -0.021,591 -0.001,592 0.042,593 -0.018,594 -0.05,595 -0.151,596 -0.012,597 -0.09,598 -0.027,599 -0.051,600 0.101,601 -0.001,602 -0.005,603 -0.019,604 0.112,605 -0.027,606 -0.123,607 -0.032,608 0.012,609 0.016,610 -0.056,611 0.035,612 2.513,613 6.455,614 0.614,615 117.267,616 1.001,617 1.129,618 3.306,619 10.928,620 0.653,621 4.143,622 4.419,623 4.644,624 4.883,625 5.106,626 5.17,627 5.298,628 5.389,629 5.451,630 5.497,631 15.273,632 0.621,633 774.02,634 4.143,635 5.666,636 6.491,637 7.343,638 8.185,639 9.046,640 9.898,641 10.765,642 11.625,643 12.498,644 6.5,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 108,670 29,671 4,672 62,673 113,674 44,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 6,688 29,689 15,691 5,692 4,694 1,695 5,699 51,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,728 1,731 5,734 1,737 57,740 13,741 4,742 2,744 1,745 2,749 5.6,752 4,754 2,755 28.5,756 19.1,757 12.75,758 6.647,759 4.27,760 1.458,761 0.971,762 15.659,763 13.591,764 4.382,765 4.875,766 5.342,767 5.846,768 6.348,769 6.493,770 6.835,771 7.127,772 7.382,773 7.616,774 0.941,775 88,776 21.27,777 9.006,778 7.76,779 40.606,780 32.951,781 2.26,782 128.833,785 553.242,786 251.117,787 95.077,789 122.579,792 251.117,793 675.821,794 95.077,795 8.396,796 110.088,797 161.096,798 112.746,799 65.409,800 22.809,801 541.471,803 553.242,804 346.194,805 122.579,807 459.073,808 216.748,810 129.998,811 216.196,814 553.242,815 217.657,816 251.117,817 553.242,818 81.624,819 175.741,820 72.043,821 139.365,822 553.242,823 217.657,824 251.117,825 0.567,826 0.321,827 0.174,828 0.097,829 33,830 15,831 0.15,832 17,833 1,834 1.057,835 6.622,836 589.769,837 0.057,838 35,839 324.475,841 41.578,842 21.467,843 12.724,845 217.657,846 32.05,850 5.456,852 72.043,853 1022.02,854 79,855 51.235,857 4.713,858 -1.134,859 108.116,860 121.879,861 0.226,862 0.539,863 0.752,864 0.888,865 0.927,866 0.93,867 5.606,868 2.358,869 6.438,870 6.569,871 5.106,872 5.565,873 3.507,874 7.183,875 5.043,876 6.76,877 2.225,878 7.95,879 6.11,880 4.511,881 5.156,882 2.863,883 7.943,884 4.426,885 8.028,886 2.023,887 9.563,888 6.023,889 6.629,890 7.593,891 4.493,892 11.065,893 6.501,894 9.327,895 2.014,896 11.241,897 5.788,898 6.878,899 7.998,900 4.549,901 12.724,902 6.725,903 10.659,904 1.816,905 12.962,906 5.573,907 8.42,908 9.909,909 5.758,910 15.362,911 8.232,912 12.013,913 1.618,914 14.716,915 4.978,916 9.091,917 10.72,918 6.116,919 17.427,920 8.875,921 13.388,922 1.555,923 16.495,924 3.531,925 10.384,926 12.392,927 7.134,928 19.909,929 10.139,930 3.254,931 1.431,932 18.295,933 3.363,934 11.28,935 13.433,936 7.65,937 22.167,938 11.005,939 2.794,940 11.429,941 20.111,942 3.091,943 12.468,944 14.978,945 8.566,946 24.603,947 12.164,948 2.755,949 9.331,950 21.941,951 4.133,952 13.484,953 16.158,954 9.176,955 26.951,956 13.15,957 2.728,958 8.331,959 23.784,960 3.685,961 14.634,962 17.634,963 10.034,964 29.376,965 14.271,966 2.569,967 8.011,968 25.637,969 3.676,970 15.715,971 18.899,972 10.701,973 31.767,974 15.321,975 2.462,976 7.861,977 27.5,978 3.53,979 16.857,980 20.336,981 11.526,982 34.191,983 16.434,984 2.412,985 6.945,986 29.37,987 3.171,988 17.974,989 21.654,990 12.23,991 36.603,992 17.52,993 88237,994 136973,995 42.126,996 70.518,997 91.089,998 94.083,999 92.237,1000 89.996,1001 89.978,1002 112.592,1003 24.928,1004 243.54,1005 87.283,1006 5.553,1007 5.906,1008 6.675,1009 5.307,1010 5.254,1011 7.133,1012 3.951,1013 19.038,1014 5.155,1015 25.029,1016 1.469,1017 1.517,1018 1.488,1019 1.452,1020 1.451,1021 1.816,1022 0.402,1023 3.928,1024 1.408,1025 4.057,1026 4.091,1027 4.008,1028 3.969,1029 7.439,1030 3.972,1031 3.958,1032 3.994,1033 3.891,1034 3.872,1035 7.432,1036 3.872,1037 3.925,1038 3.956,1039 3.864,1040 3.847,1041 7.427,1042 3.847,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.85,1051 3.665,1052 3.654,1053 4.889,1054 3.646,1055 3.767,1056 3.822,1057 3.659,1058 3.584,1059 4.838,1060 3.591,1061 3.638,1062 3.686,1063 3.575,1064 3.421,1065 4.764,1066 3.453,1067 3.608,1068 3.669,1069 3.499,1070 3.415,1071 4.681,1072 3.414,1073 0.073,1074 0.063,1075 0.111,1076 0.068,1077 0.052,1078 4.553,1079 0.067,1080 3.906,1081 0.036,1082 6.873,1083 0.184,1084 4.224,1085 0.051,1086 3.254,1087 4.133,1088 2.204,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.04,1101 1.234,1102 2.046,1103 1.912,1104 1.885,1105 2.022,1106 2.02,1107 1.18,1108 2.02,1109 1.837,1110 1.806,1111 1.986,1112 1.956,1113 1.169,1114 1.965,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.147,1120 1.948,1121 1.716,1122 1.659,1123 1.937,1124 1.92,1125 1.125,1126 1.928,1127 1.586,1128 1.529,1129 1.85,1130 1.825,1131 1.036,1132 1.82,1133 1.575,1134 1.518,1135 1.715,1136 1.802,1137 0.825,1138 1.793,1139 4.828,1140 6.116,1142 7.584,1143 2.708,1144 9.136,1145 5.46,1146 10.735,1147 1.657,1152 9.763,1153 11.025,1154 11.267,1156 -1.179,1157 3.98,1159 67.028,1160 164.858,1161 392.983,1162 548.906,1163 647.612,1164 676.018,1165 678.773,1166 142.121,1167 9.321,1168 153.7,1169 153.7,1170 37,1171 13.043,1172 4.907,1173 4.17,1174 99.929,1175 533,1176 545,1177 0.086,1178 410.245,1179 736.86,1180 992.757,1181 271082,1183 39.823,1184 0.699,1185 0.568,1186 39.823,1187 32.376,1188 27.818,1189 0.449,1190 0.316,1191 19.327,1192 26.753,1193 18.954,1194 15.718,1195 27.818,1196 19.603,1197 24.212,1198 0.295,1199 0.172,1200 24.212,1201 14.102,1202 19.639,1203 0.191,1204 0.094,1205 19.639,1206 9.728,1207 16.077,1208 0.123,1209 0.052,1210 16.077,1211 6.8,1212 13.047,1213 0.08,1214 0.028,1215 13.047,1216 4.659,1217 0.146,1218 174.399,1219 0.154,1220 49.849,1221 0.208,1222 288,1223 852.68,1224 318.595,1225 813.062,1226 1096.82,1227 762,1228 329,1229 785.807,1230 358.107,1231 791.821,1232 1153.58,1233 745,1234 5.444}
{0 CHEMBL33743,1 1.516,2 24.655,3 6.321,4 39.96,5 223.057,6 7.1,7 0.381,8 4.785,9 4.911,10 4.302,11 4.294,12 5.845,13 4.27,14 5.345,15 5.527,16 4.631,17 4.679,18 6.409,19 4.622,20 5.644,21 5.869,22 4.721,23 4.845,24 6.63,25 4.764,26 5.693,27 5.925,28 4.735,29 4.837,30 6.722,31 4.762,32 5.694,33 5.908,34 4.787,35 4.87,36 6.827,37 4.799,38 5.739,39 5.964,40 4.795,41 4.887,42 6.804,43 4.811,44 5.752,45 5.985,46 4.768,47 4.846,48 6.907,49 4.771,50 5.693,51 5.924,52 4.716,53 4.783,54 6.819,55 4.715,56 0.037,57 1.612,58 24.033,59 10.092,60 13.547,61 13.695,62 0.737,63 2.578,64 45.831,65 16.626,66 67.925,67 23.431,68 0.828,69 3.216,70 64.914,71 21.94,72 100.368,73 31.376,74 0.854,75 3.272,76 69.207,77 22.357,78 120.271,79 32.075,80 1.273,81 3.304,82 68.948,83 22.574,84 167.138,85 31.733,86 0.834,87 3.406,88 71.904,89 23.941,90 120.925,91 34.054,92 1.263,93 3.343,94 74.586,95 23.377,96 200.845,97 33.45,98 1.141,99 3.14,100 70.491,101 21.912,102 159.807,103 30.932,104 26,105 83,106 0.215,107 0.51,108 0.716,109 0.856,110 0.892,111 0.896,112 4.079,113 0.958,114 -4.7,115 -4.62,116 -4.34,117 40.5,118 1,119 6,122 8,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 22,152 2,153 11,156 6,157 1,158 5,161 22,165 3,166 11,169 2,171 4,174 13,177 1,178 15,181 2,183 6,185 12,188 5,189 14,191 4,192 1,193 6,195 16,198 2,199 14,202 1,204 10,206 12,209 3,210 22,213 3,215 10,217 7,220 2,221 19,223 3,224 1,225 7,227 8,231 14,234 2,236 3,239 20,243 10894,244 39.672,245 39.672,246 39.672,247 39.672,248 39.672,249 36.018,250 51.179,251 24.408,252 40.373,253 31.219,254 31.219,255 31.219,256 31.219,257 31.219,258 25.573,259 68.612,260 11.756,261 32.273,262 5.278,263 3.198,264 1.746,265 0.756,266 0.5,267 0.475,268 4.787,273 3105,274 5.477,276 1067.65,277 217.116,280 348.914,282 3.404,283 64.538,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 125.5,294 1430,295 4.56,296 3.917,297 6.908,298 4.237,299 3.269,300 4.136,301 2.186,302 11.598,303 3.164,304 4.086,305 3.638,306 6.354,307 3.784,308 2.804,309 3.676,310 2.062,311 9.561,312 2.742,313 4.086,314 3.574,315 5.949,316 3.72,317 2.755,318 3.662,319 1.907,320 8.366,321 2.663,322 4.057,323 3.535,324 5.684,325 3.683,326 2.709,327 3.535,328 1.653,329 8.011,330 2.64,331 3.88,332 3.188,333 5.579,334 3.53,335 2.556,336 3.177,337 0.916,338 7.643,339 2.488,340 3.677,341 3.06,342 5.327,343 3.403,344 2.462,345 2.85,346 0.86,347 6.945,348 2.389,349 3.64,350 2.835,351 5.239,352 3.387,353 2.409,354 2.832,355 0.85,356 6.318,357 2.288,358 3.595,359 2.823,360 5.05,361 3.301,362 2.344,363 2.807,364 0.488,365 6.129,366 2.212,367 3.564,368 2.731,369 5.017,370 3.227,371 2.235,372 2.712,373 0.366,374 6.044,375 2.186,376 3.413,377 2.33,378 4.957,379 3.008,380 2.041,381 2.699,382 0.219,383 5.737,384 1.966,385 3.238,386 2.264,387 4.851,388 2.969,389 2.014,390 2.391,391 0.172,392 5.573,393 1.913,394 3.182,395 2.139,396 4.593,397 2.77,398 1.775,399 2.346,400 0.149,401 4.79,402 1.758,403 2.982,404 2.053,405 4.281,406 2.604,407 1.631,408 2.136,409 0.03,410 3.758,411 1.583,412 2.778,413 1.834,414 4.016,415 2.58,416 1.594,417 1.899,419 3.367,420 1.564,421 2.723,422 1.815,423 3.738,424 2.412,425 1.445,426 1.789,428 3.12,429 1.393,430 27.3,431 0.471,432 1.112,433 0.019,434 70.5,435 1.216,436 33,437 0.569,438 37.5,439 0.647,440 62.275,441 1.074,442 63.9,443 0.576,444 70.039,445 1.208,446 14.105,447 0.243,448 14.213,449 0.245,450 0.067,452 0.267,454 0.768,455 1.403,456 0.835,457 1.17,458 0.56,459 1.03,460 0.746,461 1.134,462 0.968,463 1.07,464 0.532,465 1.051,466 1.028,467 1.047,468 0.988,469 0.986,470 0.916,471 0.978,472 1.184,473 1.056,474 0.978,475 0.965,476 1.184,477 0.94,478 1.165,479 0.99,480 1.044,481 0.973,482 1.239,483 0.987,484 1.113,485 1.144,486 0.98,487 1.076,488 1.1,489 1.015,490 1.203,491 1.029,492 0.988,493 0.967,494 1.096,495 0.944,496 1.37,497 0.975,498 1.009,499 0.932,500 1.411,501 0.916,502 9.5,503 0.331,504 4.444,505 3.75,506 2.679,507 1.598,508 1.386,509 0.926,510 0.673,511 0.492,512 91262,513 214889,514 2.092,515 47.7,516 5,517 33,518 1,520 4,521 2,522 6,523 2,524 1.88,525 2,526 4.451,527 1.207,530 168.306,531 1.516,532 3.597,533 5.048,534 6.038,535 6.294,536 6.319,537 3.867,538 5.651,539 5.825,540 4.749,541 7850.44,542 10.379,543 204015,546 754.18,547 1.209,548 5.808,549 0.151,550 0.004,551 0.054,552 0.042,553 0.03,554 0.017,555 0.015,556 0.01,557 0.008,558 0.006,559 0.338,561 0.5,562 0.406,563 376.808,564 -0.036,565 -0.159,566 0.049,567 -0.054,568 -0.022,569 0.002,570 0.176,571 0.017,572 -0.02,573 -0.041,574 0.105,575 -0.062,576 -0.023,578 -0.003,579 0.005,580 -0.038,581 0.002,582 -0.063,583 -0.039,584 0.029,585 0.007,586 -0.047,587 0.029,588 0.061,589 0.052,590 -0.034,591 0.005,592 0.024,593 -0.026,594 0.001,595 -0.13,596 0.02,597 -0.088,598 0.002,599 -0.038,600 0.06,601 -0.039,602 0.041,603 -0.007,604 0.152,605 0.013,606 -0.027,607 0.014,608 0.03,609 0.022,610 0.002,611 0.033,612 2.605,613 7.102,614 0.603,615 122.177,616 1,617 1.129,618 3.469,619 12.036,620 0.651,621 4.159,622 4.431,623 4.654,624 4.905,625 5.13,626 5.215,627 5.361,628 5.489,629 5.568,630 5.656,631 14.142,632 0.618,633 788.05,634 4.159,635 5.68,636 6.503,637 7.356,638 8.197,639 9.061,640 9.915,641 10.786,642 11.649,643 12.527,644 6.3,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 111,670 29,671 4,672 63,673 116,674 45,675 24,676 7,677 17,678 1,679 6,680 7,683 1,684 1,685 3,687 6,688 29,689 16,691 5,692 4,694 1,695 5,699 53,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,728 1,731 5,734 1,737 58,740 14,741 4,742 2,744 1,745 2,749 5.4,752 4,754 2,755 29,756 19.6,757 13,758 6.922,759 3.48,760 1.382,761 0.97,762 16.282,763 12.6,764 4.394,765 4.883,766 5.342,767 5.85,768 6.341,769 6.489,770 6.828,771 7.146,772 7.404,773 7.689,774 0.938,775 89,776 21.687,777 9.186,778 7.747,779 41.422,780 33.61,781 2.247,782 130.333,785 576.784,786 253.651,787 95.077,789 122.579,792 253.651,793 699.363,794 95.077,795 8.825,796 112.194,797 161.096,798 112.746,799 65.409,800 22.809,801 565.013,803 576.784,804 348.728,805 122.579,807 482.615,808 216.748,810 140.929,811 207.8,814 576.784,815 217.657,816 253.651,817 576.784,818 83.73,819 176.17,820 72.043,821 139.365,822 576.784,823 217.657,824 253.651,825 0.565,826 0.317,827 0.174,828 0.097,829 33,830 15,831 0.155,832 18,833 1,834 1.057,835 6.566,836 617.88,837 0.057,838 35,839 329.763,841 42.551,842 22.193,843 13.242,845 217.657,846 32.318,850 5.663,852 72.043,853 1048.09,854 80,855 52.264,857 4.778,858 -1.319,859 110.999,860 125.294,861 0.223,862 0.529,863 0.743,864 0.889,865 0.926,866 0.93,867 5.617,868 2.344,869 6.447,870 6.318,871 5.118,872 5.572,873 3.471,874 7.192,875 5.055,876 6.768,877 2.235,878 7.957,879 6.129,880 4.511,881 5.156,882 2.863,883 7.958,884 4.426,885 8.034,886 2.041,887 9.569,888 6.044,889 6.637,890 7.594,891 4.466,892 11.087,893 6.507,894 9.331,895 2.014,896 11.246,897 5.737,898 6.878,899 7.993,900 4.549,901 12.773,902 6.723,903 10.661,904 1.775,905 12.969,906 5.573,907 8.427,908 9.907,909 5.726,910 15.419,911 8.235,912 12.015,913 1.631,914 14.726,915 4.79,916 9.098,917 10.715,918 6.105,919 17.516,920 8.877,921 13.389,922 1.594,923 16.51,924 3.758,925 10.396,926 12.388,927 7.092,928 20.009,929 10.144,930 3.269,931 1.445,932 18.314,933 3.367,934 11.295,935 13.428,936 7.626,937 22.294,938 11.012,939 2.804,940 11.598,941 20.137,942 3.12,943 12.487,944 14.974,945 8.514,946 24.742,947 12.174,948 2.755,949 9.561,950 21.974,951 4.136,952 13.509,953 16.154,954 9.136,955 27.112,956 13.164,957 2.709,958 8.366,959 23.823,960 3.676,961 14.664,962 17.63,963 9.97,964 29.55,965 14.288,966 2.556,967 8.011,968 25.684,969 3.662,970 15.752,971 18.895,972 10.646,973 31.96,974 15.343,975 2.462,976 7.643,977 27.553,978 3.535,979 16.899,980 20.333,981 11.45,982 34.399,983 16.459,984 2.409,985 6.945,986 29.431,987 3.177,988 18.024,989 21.652,990 12.158,991 36.827,992 17.549,993 85061,994 131118,995 42.819,996 72.279,997 92.272,998 95.209,999 93.521,1000 91.204,1001 91.185,1002 113.803,1003 23.718,1004 246.002,1005 88.459,1006 5.56,1007 5.917,1008 6.709,1009 5.325,1010 5.269,1011 7.136,1012 3.889,1013 19.211,1014 5.164,1015 25.181,1016 1.465,1017 1.511,1018 1.484,1019 1.448,1020 1.447,1021 1.806,1022 0.376,1023 3.905,1024 1.404,1025 4.06,1026 4.095,1027 4.013,1028 3.971,1029 7.439,1030 3.975,1031 3.956,1032 3.994,1033 3.887,1034 3.871,1035 7.432,1036 3.87,1037 3.919,1038 3.953,1039 3.856,1040 3.847,1041 7.427,1042 3.844,1043 3.833,1044 3.866,1045 3.762,1046 3.766,1047 7.424,1048 3.76,1049 3.793,1050 3.85,1051 3.669,1052 3.654,1053 4.889,1054 3.646,1055 3.773,1056 3.826,1057 3.662,1058 3.586,1059 4.838,1060 3.594,1061 3.65,1062 3.696,1063 3.577,1064 3.443,1065 4.753,1066 3.471,1067 3.616,1068 3.673,1069 3.524,1070 3.416,1071 4.68,1072 3.416,1073 0.072,1074 0.062,1075 0.11,1076 0.067,1077 0.052,1078 4.56,1079 0.066,1080 3.917,1081 0.035,1082 6.908,1083 0.184,1084 4.237,1085 0.05,1086 3.269,1087 4.136,1088 2.186,1089 11.598,1090 3.164,1091 1.964,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.042,1101 1.234,1102 2.048,1103 1.914,1104 1.884,1105 2.037,1106 2.017,1107 1.186,1108 2.022,1109 1.839,1110 1.809,1111 1.986,1112 1.96,1113 1.179,1114 1.966,1115 1.789,1116 1.731,1117 1.963,1118 1.951,1119 1.132,1120 1.955,1121 1.717,1122 1.66,1123 1.938,1124 1.921,1125 1.125,1126 1.928,1127 1.607,1128 1.558,1129 1.851,1130 1.834,1131 1.08,1132 1.83,1133 1.581,1134 1.516,1135 1.77,1136 1.806,1137 0.969,1138 1.803,1139 4.844,1140 6.129,1142 7.594,1143 2.708,1144 9.145,1145 5.46,1146 10.745,1147 1.918,1152 9.539,1153 11.103,1154 11.381,1156 -1.272,1157 3.961,1159 68.555,1160 168.306,1161 399.232,1162 560.339,1163 670.264,1164 698.67,1165 701.425,1166 149.903,1167 9.12,1168 153.7,1169 153.7,1170 37,1171 13.068,1172 4.907,1173 4.17,1174 102.284,1175 490,1176 566,1177 0.095,1178 419.837,1179 754.16,1180 1016.16,1181 188529,1183 40.53,1184 0.699,1185 0.57,1186 40.53,1187 33.083,1188 28.318,1189 0.449,1190 0.319,1191 19.847,1192 27.255,1193 19.468,1194 16.131,1195 28.318,1196 20.118,1197 24.609,1198 0.296,1199 0.174,1200 24.609,1201 14.424,1202 19.68,1203 0.189,1204 0.095,1205 19.68,1206 9.862,1207 16.43,1208 0.123,1209 0.052,1210 16.43,1211 7.002,1212 13.208,1213 0.079,1214 0.029,1215 13.208,1216 4.798,1217 0.159,1218 177.315,1219 0.153,1220 49.941,1221 0.236,1222 292,1223 856.68,1224 322.928,1225 816.747,1226 1102.9,1227 766,1228 333,1229 791.159,1230 362.163,1231 795.273,1232 1159.66,1233 750,1234 5.337}
{0 CHEMBL33819,1 1.537,2 24.179,3 5.387,4 29.015,5 214.153,6 7.238,7 0.393,8 4.736,9 4.859,10 4.27,11 4.244,12 5.817,13 4.227,14 5.289,15 5.468,16 4.609,17 4.627,18 6.361,19 4.583,20 5.578,21 5.785,22 4.715,23 4.799,24 6.651,25 4.73,26 5.635,27 5.863,28 4.697,29 4.798,30 6.678,31 4.722,32 5.634,33 5.855,34 4.738,35 4.814,36 6.793,37 4.742,38 5.641,39 5.861,40 4.724,41 4.808,42 6.753,43 4.735,44 5.647,45 5.872,46 4.663,47 4.761,48 6.735,49 4.691,50 5.58,51 5.804,52 4.629,53 4.705,54 6.694,55 4.638,56 0.056,57 1.535,58 22.186,59 9.417,60 13.567,61 12.612,62 0.612,63 2.447,64 42.497,65 15.398,66 56.58,67 21.386,68 1.008,69 3.035,70 59.806,71 20.478,72 116.852,73 28.513,74 0.819,75 3.114,76 64.572,77 21.577,78 111.056,79 30.562,80 1.138,81 3.129,82 64.315,83 21.439,84 162.829,85 30.334,86 0.867,87 3.127,88 64.481,89 21.809,90 129.046,91 30.726,92 1.025,93 3.035,94 66.444,95 21.135,96 134.116,97 29.44,98 0.935,99 2.831,100 62.069,101 20.325,102 131.83,103 28.104,104 37,105 82,106 0.22,107 0.526,108 0.743,109 0.872,110 0.899,111 0.901,112 4.045,113 0.935,114 -3.96,115 -3.92,116 -3.71,117 41,118 1,119 4,121 1,122 7,125 1,132 16,133 4,134 4,140 1,141 3,142 1,150 19,152 1,153 12,156 5,157 1,158 3,161 20,165 3,166 12,169 4,170 1,171 2,174 12,177 1,178 13,181 2,183 6,185 10,188 5,189 13,191 3,193 9,195 14,198 2,199 13,202 1,204 11,206 10,209 1,210 19,213 2,215 8,217 6,220 2,221 18,223 1,225 7,227 6,230 2,231 10,234 2,236 6,239 14,243 9680,244 37.998,245 37.998,246 37.998,247 37.998,248 37.998,249 34.372,250 49.884,251 23.018,252 38.648,253 30.182,254 30.182,255 30.182,256 30.182,257 30.182,258 24.468,259 65.992,260 11.082,261 31.171,262 5.177,263 3.039,264 1.525,265 0.62,266 0.433,267 0.414,268 4.752,273 2941,274 5.244,276 1016.65,277 198.022,280 320.421,282 3.523,283 63.168,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 121.5,294 1354,295 4.558,296 3.906,297 6.875,298 4.227,299 3.257,300 4.146,301 2.062,302 11.438,303 3.159,304 4.124,305 3.652,306 6.318,307 3.801,308 2.824,309 3.676,310 2.04,311 9.38,312 2.751,313 4.086,314 3.533,315 5.954,316 3.72,317 2.755,318 3.672,319 1.945,320 8.388,321 2.663,322 4.074,323 3.531,324 5.684,325 3.688,326 2.715,327 3.662,328 1.653,329 8.011,330 2.643,331 3.899,332 3.204,333 5.581,334 3.565,335 2.587,336 3.17,337 0.916,338 7.652,339 2.525,340 3.759,341 3.06,342 5.427,343 3.47,344 2.487,345 3.022,346 0.893,347 7.095,348 2.439,349 3.68,350 2.865,351 5.327,352 3.392,353 2.461,354 2.902,355 0.86,356 6.945,357 2.289,358 3.572,359 2.823,360 5.147,361 3.33,362 2.369,363 2.808,364 0.85,365 6.349,366 2.267,367 3.564,368 2.749,369 5.069,370 3.217,371 2.219,372 2.714,373 0.488,374 6.045,375 2.202,376 3.52,377 2.714,378 4.923,379 3.146,380 2.156,381 2.696,382 0.305,383 5.718,384 2.11,385 3.238,386 2.33,387 4.853,388 2.968,389 2.013,390 2.404,391 0.219,392 5.572,393 1.912,394 3.197,395 2.162,396 4.847,397 2.828,398 1.854,399 2.346,400 0.172,401 5.324,402 1.802,403 3.073,404 2.119,405 4.579,406 2.679,407 1.7,408 2.23,409 0.061,410 4.723,411 1.651,412 2.925,413 1.86,414 4.167,415 2.559,416 1.583,417 2.094,418 0.03,419 3.354,420 1.538,421 2.72,422 1.831,423 3.937,424 2.463,425 1.472,426 1.788,428 3.3,429 1.456,430 26.3,431 0.47,432 1.218,433 0.022,434 70,435 1.25,436 33.5,437 0.598,438 36.5,439 0.652,440 57.432,441 1.026,442 61.3,443 0.584,444 69.789,445 1.246,446 14.151,447 0.253,448 13.06,449 0.233,450 0.089,452 0.297,454 0.771,455 1.399,456 0.815,457 1.156,458 0.567,459 1.01,460 0.843,461 1.108,462 0.933,463 1.028,464 0.572,465 0.993,466 1.042,467 1.036,468 1.024,469 1.007,470 0.983,471 1.012,472 1.081,473 1.069,474 0.959,475 0.992,476 1.05,477 0.96,478 0.975,479 1.012,480 0.964,481 0.976,482 0.899,483 0.966,484 1.035,485 1.144,486 0.977,487 1.079,488 1.148,489 1.025,490 1.374,491 1.006,492 1.069,493 0.973,494 1.291,495 0.971,496 1.301,497 1.018,498 0.991,499 0.973,500 1.207,501 0.941,502 10.5,503 0.438,504 4.667,505 3.563,506 3.07,507 1.691,508 1.23,509 0.924,510 0.715,511 0.475,512 82640,513 199715,514 2.085,515 46.7,516 5,517 33,518 1,520 4,522 4,523 2,524 1.872,525 1.976,526 4.449,527 1.232,530 161.384,531 1.537,532 3.675,533 5.189,534 6.094,535 6.281,536 6.3,537 3.907,538 5.557,539 5.775,540 4.724,541 7274.35,542 10.275,543 182646,546 704.996,547 1.299,548 5.75,549 0.172,550 0.006,551 0.057,552 0.04,553 0.036,554 0.019,555 0.014,556 0.011,557 0.009,558 0.006,559 0.371,560 0.17,561 0.5,562 0.449,563 360.147,564 -0.042,565 -0.165,566 0.049,567 -0.056,568 -0.033,569 0.002,570 0.08,571 0.038,572 0.004,573 -0.011,574 0.064,575 -0.017,576 0.028,577 0.02,578 -0.043,579 -0.014,580 -0.014,581 -0.04,582 -0.044,583 -0.059,584 0.034,585 -0.009,586 -0.02,587 0.019,588 0.099,589 0.016,590 0.029,591 0.007,592 0.147,593 0.007,594 0.026,595 -0.13,596 0.013,597 -0.087,598 0.006,599 -0.044,600 -0.115,601 -0.013,602 -0.046,603 -0.008,604 -0.089,605 -0.013,606 -0.057,607 -0.041,608 0.029,609 0.006,610 0.01,611 0.028,612 2.562,613 6.556,614 0.625,615 115.153,616 1.002,617 1.128,618 2.735,619 7.479,620 0.655,621 4.127,622 4.419,623 4.644,624 4.89,625 5.124,626 5.198,627 5.328,628 5.464,629 5.557,630 5.649,631 13.748,632 0.624,633 759.99,634 4.127,635 5.659,636 6.488,637 7.347,638 8.192,639 9.059,640 9.915,641 10.787,642 11.651,643 12.529,644 6.7,647 1,649 5,651 1,654 16,658 8,660 24,661 1,667 2,669 105,670 29,671 4,672 61,673 110,674 43,675 24,676 8,677 16,678 1,679 6,680 7,683 1,684 1,685 3,687 4,688 29,689 14,691 5,692 4,694 1,695 5,699 49,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 2,720 1,727 1,731 5,734 2,737 56,740 11,741 4,742 2,744 1,745 2,749 5.7,752 4,754 2,755 28.333,756 19.017,757 12.417,758 6.342,759 4.275,760 1.454,761 0.973,762 14.656,763 13.688,764 4.369,765 4.883,766 5.354,767 5.866,768 6.38,769 6.543,770 6.878,771 7.215,772 7.502,773 7.793,774 0.938,775 88,776 20.907,777 8.898,778 7.777,779 39.747,780 32.261,781 2.277,782 127.5,785 529.7,786 248.582,787 95.077,789 122.579,792 248.582,793 652.279,794 95.077,795 17.222,796 105.019,797 151.62,798 117.45,799 70.652,800 16.047,801 517.928,803 529.7,804 343.659,805 122.579,807 459.073,808 193.206,810 133.754,811 209.906,814 529.7,815 217.657,816 248.582,817 529.7,818 79.741,819 175.09,820 72.043,821 139.365,822 529.7,823 217.657,824 248.582,825 0.572,826 0.323,827 0.174,828 0.098,829 34,830 16,831 0.136,832 15,833 1,834 1.057,835 6.387,836 594.296,837 0.057,838 35,839 319.212,841 40.606,842 20.211,843 11.974,845 217.657,846 29.777,850 5.892,852 72.043,853 995.938,854 78,855 51.578,857 4.742,858 -1.326,859 105.232,860 118.464,861 0.229,862 0.547,863 0.773,864 0.908,865 0.935,866 0.938,867 5.602,868 2.369,869 6.447,870 6.945,871 5.106,872 5.572,873 3.493,874 7.204,875 5.044,876 6.77,877 2.219,878 7.969,879 6.349,880 4.575,881 5.231,882 2.802,883 7.98,884 4.496,885 8.046,886 2.156,887 9.589,888 6.045,889 6.645,890 7.623,891 4.417,892 11.093,893 6.518,894 9.353,895 2.013,896 11.27,897 5.718,898 6.929,899 8.069,900 4.438,901 12.746,902 6.781,903 10.69,904 1.854,905 12.992,906 5.572,907 8.445,908 9.953,909 5.606,910 15.384,911 8.258,912 12.049,913 1.7,914 14.745,915 5.324,916 9.133,917 10.79,918 5.938,919 17.444,920 8.92,921 13.426,922 1.583,923 16.522,924 4.723,925 10.413,926 12.445,927 6.899,928 19.927,929 10.168,930 3.257,931 1.472,932 18.319,933 3.354,934 11.317,935 13.504,936 7.391,937 22.182,938 11.042,939 2.824,940 11.438,941 20.133,942 3.3,943 12.498,944 15.039,945 8.243,946 24.618,947 12.194,948 2.755,949 9.38,950 21.961,951 4.146,952 13.517,953 16.231,954 8.825,955 26.965,956 13.182,957 2.715,958 8.388,959 23.802,960 3.676,961 14.664,962 17.7,963 9.616,964 29.39,965 14.3,966 2.587,967 8.011,968 25.654,969 3.672,970 15.746,971 18.973,972 10.249,973 31.781,974 15.351,975 2.487,976 7.652,977 27.515,978 3.662,979 16.886,980 20.406,981 11.006,982 34.206,983 16.461,984 2.461,985 7.095,986 29.384,987 3.17,988 18.003,989 21.729,990 11.67,991 36.618,992 17.547,993 77000,994 120273,995 41.145,996 68.756,997 90.291,998 93.393,999 91.601,1000 89.08,1001 89.097,1002 111.884,1003 24.989,1004 244.836,1005 86.42,1006 5.558,1007 5.906,1008 6.677,1009 5.309,1010 5.257,1011 7.146,1012 3.667,1013 19.055,1014 5.159,1015 27.078,1016 1.48,1017 1.531,1018 1.502,1019 1.46,1020 1.461,1021 1.834,1022 0.41,1023 4.014,1024 1.417,1025 4.059,1026 4.092,1027 4.014,1028 3.969,1029 7.438,1030 3.975,1031 3.956,1032 3.993,1033 3.887,1034 3.871,1035 7.43,1036 3.87,1037 3.92,1038 3.953,1039 3.856,1040 3.847,1041 7.424,1042 3.844,1043 3.849,1044 3.874,1045 3.791,1046 3.767,1047 7.424,1048 3.767,1049 3.792,1050 3.848,1051 3.663,1052 3.654,1053 4.913,1054 3.646,1055 3.738,1056 3.792,1057 3.65,1058 3.521,1059 4.842,1060 3.54,1061 3.633,1062 3.679,1063 3.571,1064 3.419,1065 4.756,1066 3.453,1067 3.581,1068 3.635,1069 3.465,1070 3.367,1071 4.734,1072 3.384,1073 0.075,1074 0.064,1075 0.113,1076 0.069,1077 0.053,1078 4.558,1079 0.068,1080 3.906,1081 0.034,1082 6.875,1083 0.188,1084 4.227,1085 0.052,1086 3.257,1087 4.146,1088 2.062,1089 11.438,1090 3.159,1091 1.961,1092 1.94,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.047,1100 2.044,1101 1.196,1102 2.045,1103 1.914,1104 1.884,1105 2.036,1106 2.016,1107 1.171,1108 2.022,1109 1.835,1110 1.809,1111 1.985,1112 1.957,1113 1.132,1114 1.963,1115 1.789,1116 1.731,1117 1.949,1118 1.947,1119 1.128,1120 1.949,1121 1.661,1122 1.602,1123 1.887,1124 1.897,1125 1.039,1126 1.89,1127 1.578,1128 1.531,1129 1.73,1130 1.828,1131 0.876,1132 1.8,1133 1.518,1134 1.466,1135 1.711,1136 1.76,1137 0.825,1138 1.756,1139 4.812,1140 6.111,1142 7.589,1143 2.708,1144 9.15,1145 5.46,1146 10.756,1147 3.553,1152 7.998,1153 10.866,1154 11.705,1156 -1.229,1157 3.944,1159 65.501,1160 161.384,1161 385.85,1162 544.857,1163 639.876,1164 659.486,1165 661.486,1166 140.465,1167 9.413,1168 153.7,1169 153.7,1170 37,1171 13.07,1172 4.907,1173 4.17,1174 96.785,1175 462,1176 518,1177 0.096,1178 400.653,1179 719.56,1180 969.352,1181 279815,1183 39.279,1184 0.701,1185 0.569,1186 39.279,1187 31.884,1188 27.212,1189 0.446,1190 0.312,1191 18.738,1192 26.149,1193 18.311,1194 15.196,1195 27.212,1196 19.014,1197 24.139,1198 0.294,1199 0.169,1200 24.139,1201 13.892,1202 19.475,1203 0.189,1204 0.092,1205 19.475,1206 9.476,1207 15.977,1208 0.121,1209 0.05,1210 15.977,1211 6.634,1212 13.086,1213 0.078,1214 0.027,1215 13.086,1216 4.55,1217 0.161,1218 170.763,1219 0.156,1220 48.567,1221 0.239,1222 286,1223 852.68,1224 316.264,1225 813.339,1226 1097.63,1227 762,1228 328,1229 787.807,1230 357.854,1231 794.579,1232 1156.63,1233 747,1234 5.284}
{0 CHEMBL353148,1 1.477,2 15.326,3 5.12,4 26.209,5 178.896,6 7.124,7 0.44,8 4.536,9 4.663,10 4.055,11 4.09,12 5.62,13 4.056,14 5.082,15 5.257,16 4.406,17 4.491,18 6.135,19 4.427,20 5.411,21 5.63,22 4.466,23 4.646,24 6.432,25 4.548,26 5.511,27 5.758,28 4.472,29 4.633,30 6.521,31 4.539,32 5.48,33 5.698,34 4.59,35 4.623,36 6.742,37 4.56,38 5.561,39 5.79,40 4.635,41 4.688,42 6.712,43 4.628,44 5.593,45 5.8,46 4.65,47 4.756,48 6.763,49 4.692,50 5.672,51 5.908,52 4.676,53 4.814,54 6.836,55 4.723,56 0.053,57 1.248,58 18.39,59 7.984,60 13.008,61 10.786,62 0.346,63 2.037,64 33.939,65 13.445,66 44.455,67 18.814,68 0.65,69 2.609,70 50.46,71 18.304,72 91.693,73 25.614,74 0.623,75 2.723,76 58.129,77 19.386,78 113.807,79 27.425,80 1.021,81 2.701,82 55.696,83 17.832,84 195.815,85 25.117,86 0.952,87 2.895,88 61.197,89 19.292,90 147.002,91 26.819,92 0.854,93 2.972,94 62.252,95 20.346,96 161.48,97 27.442,98 0.971,99 3.185,100 67.928,101 23.199,102 196.274,103 32.536,104 39,105 68,106 0.219,107 0.538,108 0.74,109 0.844,110 0.878,111 0.882,112 3.853,113 0.946,114 -3.67,115 -3.63,116 -3.46,117 42.5,118 2,119 3,120 1,122 2,124 3,129 2,132 14,133 4,138 1,139 1,141 4,150 24,152 1,153 1,156 3,158 7,161 26,165 1,166 5,169 4,170 1,171 8,174 17,178 8,183 8,185 8,188 4,189 14,191 2,192 1,193 8,195 5,199 15,202 4,203 2,204 10,206 6,210 14,213 1,215 10,217 12,220 3,221 16,223 1,225 9,227 19,231 12,234 3,235 1,236 8,239 25,243 5374,244 30.946,245 30.946,246 30.946,247 30.946,248 30.946,249 27.636,250 23.013,251 18.657,252 31.156,253 24.754,254 24.754,255 24.754,256 24.754,257 24.754,258 19.698,259 22.808,260 8.989,261 25.055,262 4.966,263 2.813,264 1.452,265 0.753,266 0.523,267 0.5,268 4.553,272 1,273 1521,274 5.385,275 127.656,276 714.617,278 236.741,282 2.123,283 55.394,285 0.75,286 0.5,287 0.67,288 0.7,289 0.5,290 0.67,291 0.5,292 0.61,293 98.5,294 705,295 4.53,296 3.896,297 6.543,298 4.08,299 3.095,300 4.474,301 2.02,302 10.339,303 3.05,304 4.184,305 3.734,306 6.438,307 4.007,308 3.034,309 3.528,310 1.958,311 9.907,312 2.944,313 4.014,314 3.57,315 6.051,316 3.778,317 2.796,318 3.462,319 1.919,320 8.728,321 2.738,322 3.949,323 3.424,324 5.686,325 3.645,326 2.654,327 3.341,328 1.058,329 7.94,330 2.627,331 3.901,332 3.129,333 5.368,334 3.536,335 2.534,336 3.148,337 0.632,338 7.024,339 2.536,340 3.703,341 2.832,342 5.351,343 3.428,344 2.435,345 2.886,346 0.267,347 6.943,348 2.413,349 3.582,350 2.505,351 5.114,352 3.204,353 2.182,354 2.818,355 0.148,356 5.986,357 2.216,358 3.381,359 2.469,360 5.033,361 3.132,362 2.138,363 2.702,364 0.032,365 5.958,366 2.121,367 3.225,368 2.317,369 4.936,370 2.969,371 1.977,372 2.318,374 5.652,375 1.959,376 3.144,377 2.275,378 4.711,379 2.913,380 1.902,381 2.263,383 5.186,384 1.911,385 3.046,386 2.001,387 4.477,388 2.636,389 1.678,390 2.219,392 4.515,393 1.6,394 2.968,395 1.865,396 4.218,397 2.518,398 1.546,399 2.129,401 3.776,402 1.501,403 2.831,404 1.775,405 3.983,406 2.489,407 1.488,408 1.907,410 3.234,411 1.488,412 2.724,413 1.546,414 3.623,415 2.392,416 1.396,417 1.766,419 3.061,420 1.389,421 2.633,422 1.523,423 3.589,424 2.235,425 1.234,426 1.659,428 3.011,429 1.229,430 21.833,431 0.475,432 1.099,433 0.024,434 56.25,435 1.223,436 27.5,437 0.598,438 28.75,439 0.625,440 49.34,441 1.073,442 49.567,443 0.57,444 53.892,445 1.172,446 11.232,447 0.244,448 11.013,449 0.239,450 0.107,452 0.316,454 0.698,455 1.259,456 0.838,457 1.06,458 0.545,459 0.974,460 0.603,461 1.223,462 0.93,463 1.114,464 0.535,465 1.069,466 0.958,467 1.057,468 1.076,469 1.083,470 0.986,471 1.092,472 1.283,473 1.024,474 0.982,475 0.939,476 1.286,477 0.919,478 1.218,479 1.116,480 0.999,481 1.003,482 1.189,483 0.97,484 1.501,485 0.935,486 1.006,487 0.874,488 1.516,489 0.867,490 1.77,491 1.053,492 1.178,493 0.994,494 1.827,495 1.003,496 1.146,497 0.992,498 0.968,499 0.961,500 1.136,501 0.941,502 9.5,503 0.55,504 4,505 3.104,506 2.253,507 1.677,508 1.292,509 1.082,510 0.807,511 0.552,512 37835,513 92272,514 2.067,515 47.1,516 7,517 23,518 1,520 4,522 6,524 1.841,525 1.944,526 3.837,527 1.298,530 128.517,531 1.477,532 3.63,533 4.991,534 5.69,535 5.92,536 5.943,537 3.309,538 5.132,539 5.493,540 4.04,541 4181.7,542 9.794,543 81051.2,546 560.536,547 1.371,548 5.458,549 0.19,550 0.007,551 0.059,552 0.046,553 0.033,554 0.022,555 0.016,556 0.013,557 0.01,558 0.007,559 0.403,560 0.17,561 0.63,562 0.744,563 269.754,564 -0.044,565 -0.054,566 0.034,567 0.015,568 -0.034,569 0.033,570 0.139,571 -0.086,572 -0.015,573 -0.084,574 0.054,575 -0.076,576 0.031,577 -0.01,578 -0.101,579 -0.097,580 -0.065,581 -0.117,582 -0.104,583 -0.042,584 0.038,585 0.02,586 -0.101,587 0.046,588 0.172,589 -0.082,590 0.033,591 -0.059,592 0.2,593 -0.036,594 -0.044,595 0.086,596 0.041,597 0.06,598 -0.051,599 0.062,600 -0.224,601 -0.033,602 -0.14,603 -0.037,604 -0.17,605 -0.069,606 0.06,607 -0.009,608 0.049,609 0.009,610 0.116,611 0.027,612 2.287,613 6.954,614 0.587,615 61.609,616 0.997,617 1.124,618 2.436,619 5.933,620 0.662,621 3.932,622 4.234,623 4.454,624 4.71,625 4.905,626 4.927,627 5.043,628 5.182,629 5.209,630 5.298,631 9.065,632 0.626,633 619.83,634 3.932,635 5.468,636 6.297,637 7.162,638 8.009,639 8.878,640 9.733,641 10.606,642 11.467,643 12.341,644 5.7,649 4,650 1,653 2,654 15,656 1,658 3,660 22,669 87,670 27,671 3,672 50,673 91,674 37,675 20,676 4,677 14,678 3,679 5,680 6,684 2,685 1,687 6,688 26,689 11,690 1,691 5,692 4,693 2,695 4,699 41,700 8,701 4,702 9,705 5,706 0.8,707 4,710 1,712 1,713 4,715 1,719 3,720 1,723 2,731 4,734 2,737 46,740 5,741 3,744 4,745 1,749 4.6,752 4,755 23.667,756 15.617,757 10.139,758 5.25,759 2.866,760 1.349,761 0.97,762 11.325,763 11.077,764 4.205,765 4.73,766 5.218,767 5.718,768 6.167,769 6.252,770 6.578,771 6.897,772 6.882,773 7.086,774 1,775 68,776 17.266,777 7.492,778 7.801,779 32.702,780 27.052,781 2.301,782 105.833,785 435.531,786 223.225,787 73.942,789 100.58,792 223.225,793 536.11,794 73.942,795 17.65,796 68.972,797 160.667,798 119.398,799 28.915,800 13.915,801 423.76,803 435.531,804 297.167,805 100.58,807 364.904,808 171.206,810 103.408,811 174.807,812 18.952,814 435.531,815 174.522,816 223.225,817 435.531,818 44.907,819 181.442,820 70.818,821 100.58,822 435.531,823 174.522,824 223.225,825 0.575,826 0.321,827 0.177,828 0.1,829 29,830 14,831 0.132,832 12,833 1,834 1.074,835 5.343,836 477.961,837 0.074,838 27,839 240.084,841 33.025,842 15.774,843 9.341,844 1.876,845 157.736,846 28.838,848 3.229,850 2.784,852 70.818,853 833.278,854 66,855 53.65,856 3.092,858 -1.43,859 86.723,860 97.803,861 0.229,862 0.563,863 0.775,864 0.883,865 0.919,866 0.922,867 5.436,868 2.138,869 6.267,870 5.986,871 4.92,872 5.418,873 3.164,874 7.033,875 4.895,876 6.612,877 1.977,878 7.795,879 5.958,880 4.443,881 5.075,882 2.575,883 7.816,884 4.418,885 7.889,886 1.902,887 9.42,888 5.652,889 6.469,890 7.497,891 4.156,892 10.909,893 6.41,894 9.195,895 1.678,896 11.103,897 5.186,898 6.792,899 7.996,900 4.217,901 12.532,902 6.727,903 10.532,904 1.546,905 12.824,906 4.515,907 8.285,908 9.9,909 5.345,910 15.132,911 8.189,912 11.893,913 1.488,914 14.573,915 3.776,916 8.995,917 10.848,918 5.699,919 17.126,920 8.885,921 13.272,922 1.396,923 16.343,924 3.234,925 10.26,926 12.522,927 6.619,928 19.544,929 10.124,930 3.095,931 1.234,932 18.128,933 3.061,934 11.166,935 13.724,936 7.121,937 21.709,938 11.011,939 3.034,940 10.339,941 19.927,942 3.011,943 12.331,944 15.292,945 7.933,946 24.058,947 12.151,948 2.796,949 9.907,950 21.736,951 4.474,952 13.337,953 16.635,954 8.516,955 26.302,956 13.135,957 2.654,958 8.728,959 23.553,960 3.528,961 14.461,962 18.156,963 9.27,964 28.627,965 14.236,966 2.534,967 7.94,968 25.379,969 3.462,970 15.516,971 19.575,972 9.897,973 30.908,974 15.269,975 2.435,976 7.024,977 27.21,978 3.341,979 16.625,980 21.077,981 10.62,982 33.225,983 16.357,984 2.182,985 6.943,986 29.046,987 3.148,988 17.706,989 22.535,990 11.271,991 35.524,992 17.416,993 35678,994 55915,995 33.402,996 57.552,997 75.796,998 77.544,999 75.616,1000 73.838,1001 73.841,1002 94.9,1003 16.068,1004 204.877,1005 73.046,1006 5.53,1007 5.896,1008 6.345,1009 5.148,1010 5.095,1011 7.474,1012 3.523,1013 17.308,1014 5.05,1015 22.693,1016 1.516,1017 1.551,1018 1.512,1019 1.477,1020 1.477,1021 1.898,1022 0.321,1023 4.098,1024 1.461,1025 4.135,1026 4.17,1027 4.088,1028 4.051,1029 7.439,1030 4.056,1031 3.976,1032 4.017,1033 3.901,1034 3.889,1035 7.429,1036 3.884,1037 3.917,1038 3.947,1039 3.848,1040 3.857,1041 7.425,1042 3.85,1043 3.849,1044 3.891,1045 3.774,1046 3.7,1047 7.421,1048 3.71,1049 3.74,1050 3.793,1051 3.661,1052 3.56,1053 4.971,1054 3.573,1055 3.678,1056 3.731,1057 3.562,1058 3.524,1059 4.783,1060 3.528,1061 3.489,1062 3.529,1063 3.397,1064 3.355,1065 4.749,1066 3.357,1067 3.427,1068 3.483,1069 3.312,1070 3.259,1071 4.323,1072 3.267,1073 0.091,1074 0.078,1075 0.131,1076 0.082,1077 0.062,1078 4.53,1079 0.089,1080 3.896,1081 0.04,1082 6.543,1083 0.207,1084 4.08,1085 0.061,1086 3.095,1087 4.474,1088 2.02,1089 10.339,1090 3.05,1091 1.943,1092 1.92,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.045,1100 2.025,1101 1.294,1102 2.032,1103 1.919,1104 1.893,1105 2.035,1106 1.998,1107 1.238,1108 2.011,1109 1.81,1110 1.761,1111 2.011,1112 1.975,1113 1.103,1114 1.986,1115 1.702,1116 1.653,1117 1.885,1118 1.9,1119 1.051,1120 1.898,1121 1.685,1122 1.629,1123 1.855,1124 1.867,1125 1.04,1126 1.877,1127 1.488,1128 1.451,1129 1.642,1130 1.685,1131 0.829,1132 1.673,1133 1.414,1134 1.36,1135 1.625,1136 1.644,1137 0.731,1138 1.636,1139 4.615,1140 5.922,1141 2.398,1142 7.404,1143 4.727,1144 8.968,1145 6.823,1146 10.575,1147 3.959,1152 1.452,1153 8.818,1156 -1.972,1157 1.537,1159 54.449,1160 128.517,1161 315.798,1162 434.214,1163 495.026,1164 515.026,1165 517.026,1166 132.02,1167 8.21,1168 123.4,1169 123.4,1170 29,1171 12.884,1172 4.807,1173 4.087,1174 78.685,1175 243,1176 274,1177 0.147,1178 334.766,1179 593.82,1180 808.588,1181 46378,1183 32.468,1184 0.706,1185 0.57,1186 32.468,1187 26.24,1188 22.245,1189 0.445,1190 0.315,1191 15.603,1192 21.628,1193 15.196,1194 12.659,1195 22.245,1196 15.759,1197 20.104,1198 0.296,1199 0.18,1200 20.104,1201 12.232,1202 15.794,1203 0.186,1204 0.095,1205 15.794,1206 8.057,1207 13.235,1208 0.12,1209 0.053,1210 13.235,1211 5.876,1212 10.707,1213 0.08,1214 0.029,1215 10.707,1216 3.925,1217 0.232,1218 138.035,1219 0.173,1220 40.106,1221 0.403,1222 236,1223 647.919,1224 255.154,1225 631.44,1226 847.91,1227 588,1228 271,1229 605.25,1230 290.075,1231 615.742,1232 890.75,1233 580,1234 6.284}
{0 CHEMBL354363,1 1.508,2 14.023,3 4.562,4 20.811,5 163.832,6 6.858,7 0.348,8 4.52,9 4.652,10 3.998,11 4.015,12 5.577,13 3.983,14 5.095,15 5.284,16 4.387,17 4.424,18 6.147,19 4.366,20 5.42,21 5.632,22 4.422,23 4.601,24 6.43,25 4.506,26 5.557,27 5.821,28 4.474,29 4.598,30 6.558,31 4.507,32 5.485,33 5.698,34 4.552,35 4.566,36 6.783,37 4.515,38 5.541,39 5.774,40 4.602,41 4.659,42 6.637,43 4.595,44 5.618,45 5.826,46 4.655,47 4.735,48 6.782,49 4.672,50 5.725,51 5.971,52 4.646,53 4.773,54 6.888,55 4.685,56 0.042,57 1.238,58 19.411,59 7.909,60 13.687,61 11.042,62 0.517,63 1.981,64 36.613,65 13.214,66 59.099,67 19.188,68 0.782,69 2.489,70 52.558,71 17.567,72 97.437,73 25.154,74 0.68,75 2.628,76 61.985,77 18.65,78 119.322,79 28.163,80 1.427,81 2.534,82 58.196,83 15.814,84 234.634,85 23.511,86 0.892,87 2.705,88 60.484,89 18.562,90 133.989,91 27.117,92 0.868,93 2.883,94 65.098,95 20.047,96 155.701,97 28.613,98 1.45,99 3.055,100 74.199,101 21.997,102 240.468,103 32.316,104 92,105 65,106 0.226,107 0.536,108 0.733,109 0.828,110 0.845,111 0.845,112 3.788,113 0.968,114 -2.9,115 -2.91,116 -2.81,117 38.4,118 5,119 3,120 1,122 2,124 3,126 1,132 9,133 3,138 1,139 1,141 3,142 1,150 16,152 2,153 3,156 4,158 6,161 20,165 1,166 4,169 4,170 1,171 7,174 10,178 11,183 10,185 4,188 5,189 12,191 3,192 1,193 5,195 2,199 13,202 4,203 2,204 7,206 6,210 17,213 2,215 10,217 9,220 5,221 15,223 1,225 6,227 12,231 11,234 3,235 1,236 8,239 18,243 4253,244 27.911,245 27.911,246 27.911,247 27.911,248 27.911,249 25.458,250 26.486,251 16.486,252 28.275,253 22.775,254 22.775,255 22.775,256 22.775,257 22.775,258 18.971,259 29.234,260 7.938,261 23.331,262 4.919,263 2.858,264 1.547,265 0.912,266 0.8,267 0.8,268 4.473,272 1,273 1275,274 5.788,275 119.227,276 483.642,278 220.997,282 2.118,283 57.687,285 0.75,286 0.5,287 0.67,288 0.9,289 1,290 0.67,291 0.5,292 0.71,293 93.5,294 603,295 4.53,296 3.9,297 6.543,298 4.091,299 3.139,300 4.474,301 2.189,302 10.341,303 3.05,304 4.19,305 3.802,306 6.449,307 4.059,308 3.087,309 3.462,310 2.02,311 10.157,312 2.946,313 4.158,314 3.664,315 6.437,316 4.006,317 3.034,318 3.343,319 1.955,320 9.905,321 2.924,322 3.966,323 3.564,324 6.044,325 3.762,326 2.782,327 3.231,328 1.918,329 8.707,330 2.72,331 3.901,332 3.168,333 5.685,334 3.632,335 2.641,336 3.083,337 0.633,338 7.937,339 2.612,340 3.693,341 3.128,342 5.359,343 3.427,344 2.435,345 2.855,346 0.41,347 6.951,348 2.411,349 3.427,350 2.832,351 5.113,352 3.133,353 2.14,354 2.716,355 0.223,356 5.985,357 2.121,358 3.381,359 2.47,360 5.023,361 3.056,362 2.075,363 2.543,364 0.142,365 5.868,366 2.002,367 3.223,368 2.318,369 4.87,370 2.969,371 1.977,372 2.318,373 0.026,374 5.529,375 1.959,376 3.144,377 2.275,378 4.711,379 2.913,380 1.902,381 2.261,383 5.186,384 1.911,385 3.046,386 2.001,387 4.475,388 2.623,389 1.664,390 2.216,392 4.499,393 1.587,394 2.831,395 1.866,396 4.216,397 2.518,398 1.546,399 1.907,401 3.775,402 1.501,403 2.719,404 1.775,405 3.97,406 2.392,407 1.396,408 1.761,410 3.124,411 1.389,412 2.633,413 1.546,414 3.589,415 2.23,416 1.23,417 1.657,419 3.013,420 1.224,421 2.5,422 1.498,423 3.58,424 2.029,425 1.045,426 1.5,428 2.653,429 1.019,430 20.167,431 0.469,432 1.384,433 0.032,434 47.25,435 1.099,436 20,437 0.465,438 27.25,439 0.634,440 52.662,441 1.225,442 48.833,443 0.568,444 45.406,445 1.056,446 9.077,447 0.211,448 11.297,449 0.263,450 0.19,451 0.025,452 0.317,454 0.736,455 1.419,456 0.875,457 1.205,458 0.575,459 1.074,460 0.574,461 1.203,462 0.847,463 1.088,464 0.479,465 1.018,466 1.149,467 1.116,468 1.177,469 1.138,470 1.008,471 1.162,472 1.121,473 1.025,474 0.864,475 0.902,476 1.189,477 0.846,478 1.455,479 1.035,480 1.148,481 0.935,482 1.543,483 0.975,484 1.213,485 0.966,486 0.946,487 0.92,488 1.305,489 0.889,490 1.527,491 1.163,492 1.142,493 1.105,494 1.639,495 1.068,496 1.288,497 0.877,498 1.01,499 0.856,500 1.314,501 0.88,502 11.5,503 0.646,504 4,505 3.667,506 2.102,507 1.754,508 1.454,509 1.104,510 0.962,511 0.716,512 29413,513 72092,514 1.987,515 50,516 7,517 16,518 1,520 4,522 15,524 1.825,525 1.823,526 3.699,527 1.372,530 129.645,531 1.508,532 3.569,533 4.88,534 5.515,535 5.626,536 5.626,537 3.179,538 5.083,539 5.398,540 3.93,541 3548.83,542 9.6,543 64790.8,546 552.659,547 1.634,548 5.33,549 0.25,550 0.009,551 0.062,552 0.058,553 0.031,554 0.025,555 0.019,556 0.014,557 0.012,558 0.009,559 0.49,560 0.17,561 0.75,562 1.263,563 246.357,564 -0.043,565 -0.118,566 0.037,567 -0.031,568 -0.047,569 0.01,570 0.242,571 -0.032,572 0.102,573 -0.012,574 0.126,575 0.015,576 -0.06,577 -0.04,578 -0.185,579 -0.123,580 -0.11,581 -0.172,582 -0.054,583 -0.063,584 0.144,585 0.047,586 -0.043,587 0.118,588 0.069,589 0.026,590 -0.083,591 -0.006,592 0.099,593 -0.058,594 -0.014,595 0.066,596 0.074,597 0.047,598 -0.029,599 0.071,600 -0.151,601 -0.127,602 -0.108,603 -0.118,604 -0.114,605 -0.107,606 0.013,607 0.093,608 0.026,609 0.089,610 0.055,611 0.067,612 2.393,613 6.851,614 0.488,615 51.77,616 0.999,617 1.133,618 1.669,619 2.785,620 0.637,621 3.85,622 4.19,623 4.357,624 4.635,625 4.796,626 4.868,627 4.99,628 5.112,629 5.142,630 5.226,631 8.462,632 0.601,633 589.81,634 3.85,635 5.407,636 6.229,637 7.112,638 7.953,639 8.839,640 9.689,641 10.575,642 11.432,643 12.318,644 5.8,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 86,670 20,671 2,672 46,673 89,674 33,675 14,676 3,677 9,679 4,680 5,684 5,685 1,687 6,688 18,689 15,690 2,691 4,692 4,695 4,699 43,700 9,701 4,702 10,705 5,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,728 1,731 3,734 5,737 43,740 5,741 3,742 1,744 4,745 1,746 1,749 5.8,752 4,754 1,755 23.583,756 16.45,757 9.264,758 5.194,759 2.466,760 1.308,761 0.933,762 10.915,763 10.467,764 4.078,765 4.603,766 5.023,767 5.538,768 5.939,769 6.076,770 6.409,771 6.731,772 6.643,773 6.877,774 1,775 63,776 16.187,777 7.015,778 7.847,779 30.528,780 25.151,781 2.347,782 100.917,785 459.073,786 182.239,787 73.942,789 111.58,792 182.239,793 570.653,794 73.942,795 44.126,796 68.972,797 94.334,798 114.694,799 36.73,800 20.678,801 447.302,803 459.073,804 256.181,805 111.58,807 282.506,808 288.146,810 129.883,811 126.298,814 459.073,815 185.522,816 182.239,817 459.073,818 43.78,819 141.584,820 70.818,821 111.58,822 459.073,823 185.522,824 182.239,825 0.586,826 0.309,827 0.172,828 0.093,829 28,830 15,831 0.135,832 12,833 1,834 1.095,835 4.952,836 435.285,837 0.095,838 21,839 222.574,841 32.561,842 14.415,843 9.571,844 1.847,845 168.736,846 19.31,848 3.203,850 1.9,852 70.818,853 826.834,854 58,855 53.074,858 -1.787,859 85.934,860 97.427,861 0.235,862 0.555,863 0.759,864 0.858,865 0.876,866 0.876,867 5.342,868 2.075,869 6.248,870 5.985,871 4.875,872 5.291,873 3.4,874 7.054,875 4.827,876 6.54,877 1.977,878 7.808,879 5.868,880 4.635,881 5.139,882 2.895,883 8.048,884 4.564,885 7.84,886 1.902,887 9.466,888 5.529,889 6.503,890 7.364,891 4.533,892 11.046,893 6.392,894 9.165,895 1.664,896 11.182,897 5.186,898 7.004,899 7.991,900 4.636,901 12.805,902 6.863,903 10.519,904 1.546,905 12.934,906 4.499,907 8.412,908 9.781,909 5.831,910 15.366,911 8.234,912 11.894,913 1.396,914 14.71,915 3.775,916 9.244,917 10.813,918 6.207,919 17.439,920 9.029,921 13.285,922 1.23,923 16.505,924 3.124,925 10.474,926 12.427,927 7.201,928 19.844,929 10.224,930 3.139,931 1.045,932 18.312,933 3.013,934 11.461,935 13.684,936 7.725,937 22.052,938 11.171,939 3.087,940 10.341,941 20.13,942 2.653,943 12.619,944 15.224,945 8.613,946 24.399,947 12.294,948 3.034,949 10.157,950 21.957,951 4.474,952 13.677,953 16.6,954 9.225,955 26.665,956 13.312,957 2.782,958 9.905,959 23.79,960 3.462,961 14.809,962 18.11,963 10.054,964 28.991,965 14.408,966 2.641,967 8.707,968 25.628,969 3.343,970 15.9,971 19.548,972 10.72,973 31.284,974 15.46,975 2.435,976 7.937,977 27.471,978 3.231,979 17.023,980 21.047,981 11.517,982 33.604,983 16.546,984 2.14,985 6.951,986 29.317,987 3.083,988 18.13,989 22.515,990 12.217,991 35.909,992 17.616,993 28459,994 44748,995 29.531,996 54.768,997 70.288,998 72.804,999 70.5,1000 68.679,1001 68.636,1002 84.506,1003 19.034,1004 197.531,1005 67.176,1006 5.53,1007 5.9,1008 6.345,1009 5.164,1010 5.139,1011 7.474,1012 3.892,1013 17.312,1014 5.05,1015 27.028,1016 1.528,1017 1.583,1018 1.533,1019 1.493,1020 1.492,1021 1.837,1022 0.414,1023 4.294,1024 1.46,1025 4.134,1026 4.169,1027 4.087,1028 4.049,1029 7.44,1030 4.054,1031 3.969,1032 4.013,1033 3.892,1034 3.878,1035 7.431,1036 3.873,1037 3.854,1038 3.896,1039 3.779,1040 3.704,1041 7.426,1042 3.714,1043 3.766,1044 3.81,1045 3.685,1046 3.572,1047 7.421,1048 3.586,1049 3.717,1050 3.771,1051 3.599,1052 3.554,1053 4.971,1054 3.554,1055 3.636,1056 3.693,1057 3.506,1058 3.488,1059 4.754,1060 3.487,1061 3.431,1062 3.49,1063 3.312,1064 3.264,1065 4.568,1066 3.271,1067 3.372,1068 3.43,1069 3.271,1070 3.178,1071 4.317,1072 3.191,1073 0.098,1074 0.085,1075 0.142,1076 0.089,1077 0.068,1078 4.53,1079 0.097,1080 3.9,1081 0.048,1082 6.543,1083 0.225,1084 4.091,1085 0.066,1086 3.139,1087 4.474,1088 2.189,1089 10.341,1090 3.05,1091 1.942,1092 1.919,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.04,1100 2.023,1101 1.294,1102 2.029,1103 1.81,1104 1.762,1105 2.012,1106 1.979,1107 1.237,1108 1.987,1109 1.714,1110 1.667,1111 1.947,1112 1.925,1113 1.118,1114 1.923,1115 1.693,1116 1.636,1117 1.885,1118 1.886,1119 1.051,1120 1.896,1121 1.665,1122 1.612,1123 1.847,1124 1.846,1125 1.04,1126 1.859,1127 1.432,1128 1.376,1129 1.632,1130 1.67,1131 0.829,1132 1.66,1133 1.323,1134 1.267,1135 1.525,1136 1.577,1137 0.731,1138 1.562,1139 4.533,1140 5.866,1141 2.398,1142 7.362,1143 4.727,1144 8.934,1145 6.823,1146 10.548,1147 9.182,1152 1.397,1153 8.613,1154 5.452,1156 -2.043,1157 1.524,1158 -0.757,1159 51.69,1160 129.645,1161 306.909,1162 419.652,1163 474.255,1164 483.865,1165 483.865,1166 144.566,1167 8.001,1168 132.63,1169 132.63,1170 23,1171 12.856,1172 4.392,1173 3.7,1174 81.459,1175 215,1176 242,1177 0.176,1178 319.495,1179 567.23,1180 771.329,1181 35556,1183 31.148,1184 0.724,1185 0.596,1186 31.148,1187 25.607,1188 20.374,1189 0.443,1190 0.323,1191 14.662,1192 19.627,1193 14.12,1194 11.825,1195 20.374,1196 14.846,1197 19.787,1198 0.304,1199 0.194,1200 19.787,1201 12.626,1202 13.962,1203 0.181,1204 0.094,1205 13.962,1206 7.205,1207 12.25,1208 0.12,1209 0.053,1210 12.25,1211 5.37,1212 9.255,1213 0.077,1214 0.029,1215 9.255,1216 3.484,1217 0.276,1218 127.569,1219 0.184,1220 37.808,1221 0.487,1222 222,1223 635.654,1224 246.357,1225 608.063,1226 809.66,1227 564,1228 253,1229 579.522,1230 275.398,1231 584.963,1232 845.81,1233 547,1234 6.569}
{0 CHEMBL355608,1 1.512,2 15.326,3 5.214,4 27.187,5 174.641,6 7.17,7 0.44,8 4.543,9 4.667,10 4.066,11 4.071,12 5.627,13 4.046,14 5.099,15 5.271,16 4.421,17 4.475,18 6.173,19 4.418,20 5.411,21 5.625,22 4.477,23 4.63,24 6.425,25 4.539,26 5.529,27 5.773,28 4.49,29 4.607,30 6.552,31 4.527,32 5.483,33 5.697,34 4.604,35 4.59,36 6.764,37 4.541,38 5.552,39 5.775,40 4.643,41 4.662,42 6.702,43 4.613,44 5.603,45 5.807,46 4.667,47 4.728,48 6.786,49 4.677,50 5.672,51 5.902,52 4.692,53 4.783,54 6.853,55 4.704,56 0.041,57 1.253,58 18.477,59 7.988,60 13.512,61 10.683,62 0.526,63 2.029,64 34.893,65 13.43,66 56.57,67 18.687,68 0.631,69 2.57,70 50.372,71 18.118,72 90.411,73 25.328,74 0.727,75 2.68,76 59.881,77 18.899,78 125.343,79 26.778,80 1.245,81 2.622,82 56.534,83 17.191,84 210.495,85 24.216,86 0.962,87 2.809,88 60.654,89 18.666,90 145.955,91 26.011,92 0.985,93 2.914,94 63.42,95 19.797,96 171.792,97 26.692,98 1.199,99 3.086,100 68.621,101 22.478,102 210.492,103 31.456,104 39,105 68,106 0.225,107 0.537,108 0.735,109 0.829,110 0.866,111 0.876,112 3.853,113 0.942,114 -3.23,115 -3.22,116 -3.09,117 41.4,118 2,119 3,120 1,122 3,124 3,132 14,133 4,138 1,139 1,141 3,142 1,150 22,152 2,153 1,156 4,158 6,161 23,165 1,166 6,169 4,170 1,171 7,174 13,178 11,183 8,185 4,188 5,189 15,191 3,192 1,193 7,195 2,199 15,202 4,203 2,204 9,206 4,210 16,213 2,215 9,217 9,220 5,221 17,223 1,225 8,227 14,231 13,234 3,235 1,236 8,239 19,243 5374,244 30.946,245 30.946,246 30.946,247 30.946,248 30.946,249 27.742,250 26.482,251 18.657,252 31.295,253 24.754,254 24.754,255 24.754,256 24.754,257 24.754,258 19.889,259 27.07,260 8.989,261 25.262,262 4.931,263 2.831,264 1.498,265 0.868,266 0.615,267 0.546,268 4.553,272 1,273 1521,274 5.385,275 127.656,276 714.617,278 236.741,282 2.123,283 58.52,285 0.75,286 0.5,287 0.67,288 0.9,289 0.5,290 0.67,291 0.5,292 0.64,293 99.5,294 705,295 4.53,296 3.898,297 6.543,298 4.08,299 3.095,300 4.474,301 2.206,302 10.339,303 3.049,304 4.184,305 3.762,306 6.438,307 4.007,308 3.034,309 3.462,310 2.02,311 9.907,312 2.944,313 3.988,314 3.6,315 6.051,316 3.773,317 2.796,318 3.448,319 1.955,320 8.728,321 2.726,322 3.923,323 3.552,324 5.686,325 3.64,326 2.654,327 3.341,328 1.918,329 7.94,330 2.616,331 3.891,332 3.13,333 5.368,334 3.52,335 2.534,336 3.138,337 0.815,338 7.024,339 2.496,340 3.7,341 2.832,342 5.351,343 3.427,344 2.435,345 2.864,346 0.632,347 6.943,348 2.412,349 3.542,350 2.76,351 5.114,352 3.152,353 2.182,354 2.753,355 0.31,356 5.986,357 2.121,358 3.381,359 2.47,360 5.033,361 3.131,362 2.138,363 2.682,364 0.159,365 5.958,366 2.078,367 3.225,368 2.319,369 4.936,370 2.969,371 1.977,372 2.318,373 0.092,374 5.652,375 1.959,376 3.144,377 2.275,378 4.711,379 2.913,380 1.902,381 2.262,383 5.186,384 1.911,385 3.046,386 2.001,387 4.477,388 2.632,389 1.678,390 2.217,392 4.515,393 1.594,394 2.916,395 1.87,396 4.218,397 2.518,398 1.546,399 2.08,401 3.776,402 1.501,403 2.831,404 1.776,405 3.983,406 2.481,407 1.488,408 1.907,410 3.234,411 1.475,412 2.721,413 1.741,414 3.623,415 2.392,416 1.396,417 1.764,419 3.061,420 1.389,421 2.633,422 1.546,423 3.589,424 2.233,425 1.234,426 1.658,428 3.011,429 1.226,430 21.667,431 0.471,432 1.099,433 0.024,434 55.25,435 1.201,436 26,437 0.565,438 29.25,439 0.636,440 50.152,441 1.09,442 50.333,443 0.579,444 53.08,445 1.154,446 11.073,447 0.241,448 11.173,449 0.243,450 0.108,452 0.318,454 0.73,455 1.311,456 0.827,457 1.108,458 0.552,459 0.994,460 0.617,461 1.182,462 0.926,463 1.087,464 0.524,465 1.057,466 0.9,467 1.103,468 1.061,469 1.13,470 0.945,471 1.121,472 1.33,473 1.026,474 0.993,475 0.935,476 1.325,477 0.91,478 1.221,479 1.082,480 1.001,481 0.971,482 1.188,483 0.948,484 1.409,485 0.965,486 0.995,487 0.899,488 1.489,489 0.878,490 1.719,491 1.051,492 1.18,493 0.996,494 1.857,495 0.999,496 1.143,497 0.98,498 0.968,499 0.952,500 1.139,501 0.934,502 9.5,503 0.55,504 4,505 3.104,506 2.253,507 1.677,508 1.292,509 1.082,510 0.807,511 0.552,512 37835,513 94301,514 2.067,515 47.1,516 7,517 23,518 1,520 4,522 6,524 1.841,525 1.944,526 3.837,527 1.32,530 131.54,531 1.512,532 3.612,533 4.945,534 5.575,535 5.828,536 5.897,537 3.309,538 5.132,539 5.493,540 4.04,541 4181.7,542 9.794,543 81051.2,546 560.536,547 1.371,548 5.458,549 0.19,550 0.007,551 0.059,552 0.046,553 0.033,554 0.022,555 0.016,556 0.013,557 0.01,558 0.007,559 0.403,560 0.17,561 0.63,562 0.744,563 269.754,564 -0.046,565 -0.084,566 0.039,567 -0.01,568 -0.033,569 0.024,570 0.2,571 -0.039,572 -0.006,573 -0.048,574 0.081,575 -0.062,576 0.027,577 -0.049,578 -0.097,579 -0.132,580 -0.064,581 -0.137,582 -0.128,583 -0.051,584 0.035,585 0.015,586 -0.112,587 0.047,588 0.178,589 -0.053,590 0.039,591 -0.033,592 0.213,593 -0.021,594 -0.058,595 0.057,596 0.043,597 0.038,598 -0.055,599 0.054,600 -0.214,601 -0.033,602 -0.137,603 -0.044,604 -0.181,605 -0.071,606 0.083,607 -0.002,608 0.054,609 0.015,610 0.125,611 0.03,612 2.41,613 6.923,614 0.587,615 61.609,616 1.001,617 1.127,618 2.002,619 4.008,620 0.655,621 3.932,622 4.234,623 4.454,624 4.71,625 4.905,626 4.927,627 5.043,628 5.182,629 5.209,630 5.298,631 9.065,632 0.623,633 623.82,634 3.932,635 5.468,636 6.297,637 7.162,638 8.009,639 8.878,640 9.733,641 10.606,642 11.467,643 12.341,644 5.7,649 4,650 1,653 2,654 15,656 1,658 3,660 22,669 87,670 26,671 3,672 50,673 91,674 36,675 20,676 4,677 14,679 5,680 6,684 2,685 1,687 6,688 24,689 12,690 1,691 4,692 4,695 4,699 41,700 9,701 4,702 10,705 5,706 0.8,707 5,710 1,712 1,713 4,715 1,719 2,720 1,728 1,731 4,734 2,737 46,740 6,741 3,742 1,744 4,745 1,749 5.7,752 4,754 1,755 23.667,756 15.617,757 10.139,758 5.222,759 2.594,760 1.316,761 0.964,762 11.508,763 10.804,764 4.19,765 4.712,766 5.18,767 5.68,768 6.117,769 6.174,770 6.485,771 6.806,772 6.744,773 6.949,774 1,775 68,776 17.283,777 7.504,778 7.822,779 32.639,780 26.94,781 2.322,782 106.833,785 435.531,786 210.923,787 73.942,789 111.58,792 210.923,793 547.11,794 73.942,795 17.65,796 73.564,797 141.715,798 114.694,799 39.915,800 20.678,801 423.76,803 435.531,804 284.865,805 111.58,807 364.904,808 182.206,810 108,811 176.865,814 435.531,815 185.522,816 210.923,817 435.531,818 51.558,819 162.49,820 70.818,821 111.58,822 435.531,823 185.522,824 210.923,825 0.575,826 0.321,827 0.177,828 0.1,829 29,830 14,831 0.143,832 13,833 1,834 1.074,835 5.343,836 477.961,837 0.074,838 27,839 242.084,841 33.24,842 15.926,843 9.448,844 1.836,845 168.736,846 28.581,848 3.212,850 2.704,852 70.818,853 831.975,854 65,855 53.462,858 -1.821,859 87.05,860 98.012,861 0.235,862 0.561,863 0.768,864 0.865,865 0.905,866 0.915,867 5.423,868 2.138,869 6.267,870 5.986,871 4.92,872 5.4,873 3.438,874 7.033,875 4.88,876 6.595,877 1.977,878 7.795,879 5.958,880 4.443,881 5.075,882 2.895,883 7.816,884 4.402,885 7.871,886 1.902,887 9.42,888 5.652,889 6.469,890 7.47,891 4.559,892 10.909,893 6.385,894 9.176,895 1.678,896 11.103,897 5.186,898 6.792,899 7.982,900 4.636,901 12.532,902 6.704,903 10.513,904 1.546,905 12.824,906 4.515,907 8.285,908 9.871,909 5.861,910 15.132,911 8.16,912 11.873,913 1.488,914 14.573,915 3.776,916 8.995,917 10.828,918 6.217,919 17.126,920 8.859,921 13.251,922 1.396,923 16.343,924 3.234,925 10.26,926 12.497,927 7.238,928 19.544,929 10.093,930 3.095,931 1.234,932 18.128,933 3.061,934 11.166,935 13.705,936 7.748,937 21.709,938 10.984,939 3.034,940 10.339,941 19.927,942 3.011,943 12.331,944 15.272,945 8.66,946 24.058,947 12.123,948 2.796,949 9.907,950 21.736,951 4.474,952 13.337,953 16.62,954 9.261,955 26.302,956 13.11,957 2.654,958 8.728,959 23.553,960 3.462,961 14.461,962 18.142,963 10.113,964 28.627,965 14.211,966 2.534,967 7.94,968 25.379,969 3.448,970 15.516,971 19.563,972 10.771,973 30.908,974 15.246,975 2.435,976 7.024,977 27.21,978 3.341,979 16.625,980 21.067,981 11.588,982 33.225,983 16.334,984 2.182,985 6.943,986 29.046,987 3.138,988 17.706,989 22.526,990 12.285,991 35.524,992 17.395,993 35678,994 56544,995 33.402,996 57.006,997 75.282,998 77.555,999 75.616,1000 73.784,1001 73.841,1002 93.88,1003 20.214,1004 204.877,1005 72.461,1006 5.53,1007 5.898,1008 6.345,1009 5.16,1010 5.095,1011 7.474,1012 3.954,1013 17.308,1014 5.049,1015 22.693,1016 1.506,1017 1.551,1018 1.512,1019 1.476,1020 1.477,1021 1.878,1022 0.404,1023 4.098,1024 1.449,1025 4.134,1026 4.169,1027 4.088,1028 4.05,1029 7.44,1030 4.055,1031 3.973,1032 4.016,1033 3.897,1034 3.883,1035 7.431,1036 3.878,1037 3.906,1038 3.935,1039 3.832,1040 3.84,1041 7.426,1042 3.834,1043 3.85,1044 3.892,1045 3.774,1046 3.7,1047 7.421,1048 3.71,1049 3.738,1050 3.792,1051 3.658,1052 3.558,1053 4.971,1054 3.569,1055 3.669,1056 3.72,1057 3.552,1058 3.504,1059 4.779,1060 3.509,1061 3.442,1062 3.494,1063 3.349,1064 3.266,1065 4.748,1066 3.273,1067 3.417,1068 3.459,1069 3.311,1070 3.196,1071 4.388,1072 3.22,1073 0.091,1074 0.078,1075 0.131,1076 0.082,1077 0.062,1078 4.53,1079 0.089,1080 3.898,1081 0.044,1082 6.543,1083 0.207,1084 4.08,1085 0.061,1086 3.095,1087 4.474,1088 2.206,1089 10.339,1090 3.049,1091 1.942,1092 1.919,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.041,1100 2.024,1101 1.294,1102 2.03,1103 1.904,1104 1.876,1105 2.032,1106 1.995,1107 1.237,1108 2.007,1109 1.81,1110 1.761,1111 2.012,1112 1.976,1113 1.133,1114 1.986,1115 1.699,1116 1.648,1117 1.885,1118 1.9,1119 1.051,1120 1.897,1121 1.681,1122 1.626,1123 1.85,1124 1.866,1125 1.04,1126 1.873,1127 1.435,1128 1.381,1129 1.632,1130 1.676,1131 0.829,1132 1.663,1133 1.341,1134 1.295,1135 1.536,1136 1.62,1137 0.731,1138 1.591,1139 4.615,1140 5.922,1141 2.398,1142 7.404,1143 4.727,1144 8.968,1145 6.823,1146 10.575,1147 3.937,1152 1.404,1153 8.643,1154 5.443,1156 -2.091,1157 1.524,1159 54.163,1160 131.54,1161 314.258,1162 430.214,1163 485.026,1164 507.026,1165 513.026,1166 131.968,1167 8.21,1168 132.63,1169 132.63,1170 29,1171 12.884,1172 4.755,1173 4,1174 78.685,1175 243,1176 274,1177 0.147,1178 332.097,1179 587.95,1180 802.076,1181 46378,1183 32.468,1184 0.706,1185 0.57,1186 32.468,1187 26.201,1188 22.245,1189 0.445,1190 0.314,1191 15.505,1192 21.504,1193 15.113,1194 12.576,1195 22.245,1196 15.695,1197 20.104,1198 0.296,1199 0.179,1200 20.104,1201 12.186,1202 15.794,1203 0.186,1204 0.094,1205 15.794,1206 8.019,1207 13.235,1208 0.12,1209 0.053,1210 13.235,1211 5.827,1212 10.707,1213 0.08,1214 0.029,1215 10.707,1216 3.881,1217 0.232,1218 138.943,1219 0.173,1220 40.106,1221 0.403,1222 236,1223 681.654,1224 259.029,1225 654.475,1226 875.39,1227 610,1228 271,1229 621.704,1230 293.398,1231 629.255,1232 913.07,1233 591,1234 7.854}
{0 CHEMBL355778,1 1.534,2 14.75,3 4.751,4 22.573,5 178.887,6 6.967,7 0.314,8 4.621,9 4.747,10 4.103,11 4.105,12 5.712,13 4.079,14 5.193,15 5.376,16 4.496,17 4.516,18 6.309,19 4.462,20 5.534,21 5.746,22 4.551,23 4.703,24 6.559,25 4.617,26 5.676,27 5.929,28 4.633,29 4.722,30 6.724,31 4.643,32 5.648,33 5.859,34 4.739,35 4.708,36 7.01,37 4.666,38 5.689,39 5.904,40 4.763,41 4.799,42 6.882,43 4.743,44 5.794,45 6.008,46 4.834,47 4.899,48 6.947,49 4.838,50 5.904,51 6.137,52 4.854,53 4.96,54 7.091,55 4.884,56 0.085,57 1.35,58 21.16,59 8.801,60 20.632,61 12.027,62 0.647,63 2.164,64 39.992,65 14.683,66 90.472,67 21.082,68 0.964,69 2.755,70 58.896,71 19.387,72 131.484,73 27.73,74 1.001,75 2.951,76 69.951,77 20.659,78 158.332,79 31.102,80 1.903,81 2.894,82 68.601,83 18.732,84 322.123,85 27.618,86 1.374,87 3.086,88 70.211,89 21.203,90 241.046,91 30.529,92 1.238,93 3.392,94 77.682,95 23.864,96 208.688,97 34.24,98 1.823,99 3.635,100 88.585,101 26.19,102 305.317,103 37.93,104 142,105 72,106 0.226,107 0.539,108 0.736,109 0.839,110 0.857,111 0.857,112 3.895,113 0.965,114 -2.74,115 -2.76,116 -2.68,117 37.9,118 5,119 5,120 1,122 1,124 4,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 17,151 1,152 2,153 5,156 5,158 7,161 21,165 1,166 5,167 1,169 4,170 1,171 8,174 12,177 1,178 12,179 1,181 1,183 9,184 1,185 6,188 6,189 11,190 1,191 5,192 2,193 6,195 5,198 1,199 12,202 5,203 2,204 8,205 1,206 8,207 2,210 20,213 3,214 1,215 13,217 12,218 2,220 5,221 19,222 1,223 1,225 8,227 14,228 3,230 1,231 16,234 4,235 1,236 11,237 1,239 20,240 3,243 5808,244 31.032,245 31.032,246 31.032,247 31.032,248 31.032,249 28.396,250 31.001,251 18.318,252 31.404,253 25.22,254 25.22,255 25.22,256 25.22,257 25.22,258 21.122,259 35.502,260 8.783,261 25.79,262 5.036,263 2.905,264 1.571,265 0.867,266 0.745,267 0.745,268 4.578,273 1485,274 6.245,275 134.656,276 554.108,278 249.538,282 2.177,283 76.758,285 0.5,286 0.5,287 0.5,288 0.8,289 1,290 0.33,292 0.52,293 105.5,294 708,295 4.53,296 3.969,297 6.752,298 4.151,299 3.185,300 4.474,301 2.341,302 10.985,303 3.074,304 4.299,305 3.821,306 6.542,307 4.085,308 3.137,309 3.459,310 2.189,311 10.338,312 3.041,313 4.167,314 3.709,315 6.447,316 4.058,317 3.081,318 3.439,319 2.02,320 10.157,321 2.926,322 3.992,323 3.623,324 6.128,325 3.808,326 2.824,327 3.248,328 1.955,329 8.953,330 2.771,331 3.9,332 3.547,333 5.945,334 3.615,335 2.623,336 3.128,337 1.918,338 8.288,339 2.596,340 3.799,341 3.168,342 5.405,343 3.536,344 2.538,345 2.959,346 0.633,347 7.128,348 2.534,349 3.514,350 3.128,351 5.234,352 3.274,353 2.29,354 2.718,355 0.41,356 6.638,357 2.243,358 3.427,359 2.752,360 5.171,361 3.142,362 2.149,363 2.656,364 0.223,365 6.068,366 2.129,367 3.381,368 2.566,369 5.092,370 3.057,371 2.075,372 2.543,373 0.142,374 5.891,375 2.003,376 3.238,377 2.384,378 4.875,379 2.998,380 1.988,381 2.318,382 0.026,383 5.534,384 1.985,385 3.214,386 2.305,387 4.627,388 2.969,389 1.973,390 2.282,392 4.959,393 1.959,394 3.046,395 2.244,396 4.509,397 2.65,398 1.681,399 2.228,401 4.551,402 1.616,403 2.9,404 1.868,405 4.228,406 2.518,407 1.546,408 2.043,410 3.784,411 1.501,412 2.805,413 1.783,414 4.025,415 2.489,416 1.491,417 1.805,419 3.199,420 1.487,421 2.666,422 1.585,423 3.691,424 2.247,425 1.245,426 1.712,428 3.151,429 1.24,430 22.333,431 0.465,432 1.563,433 0.033,434 51.75,435 1.078,436 21.5,437 0.448,438 30.25,439 0.63,440 62.812,441 1.309,442 55.067,443 0.58,444 53.899,445 1.123,446 9.934,447 0.207,448 12.761,449 0.266,450 0.201,451 0.022,452 0.331,454 0.75,455 1.406,456 0.867,457 1.206,458 0.614,459 1.072,460 0.508,461 1.249,462 0.831,463 1.133,464 0.436,465 1.051,466 1.079,467 1.115,468 1.137,469 1.109,470 0.952,471 1.131,472 1.051,473 1.038,474 0.892,475 0.929,476 1.099,477 0.881,478 1.227,479 1.01,480 1.056,481 0.926,482 1.296,483 0.945,484 1.205,485 1.019,486 1.02,487 0.968,488 1.28,489 0.956,490 1.279,491 1.122,492 1.061,493 1.058,494 1.338,495 1.023,496 1.273,497 0.92,498 1.053,499 0.904,500 1.278,501 0.928,502 12.5,503 0.721,504 4.889,505 3.729,506 3.053,507 2.038,508 1.7,509 1.372,510 1.259,511 0.866,512 38040,513 99880,514 1.965,515 49.5,516 9,517 15,518 1,520 5,521 2,522 15,524 1.852,525 1.794,526 3.771,527 2.025,530 145.692,531 1.534,532 3.665,533 4.999,534 5.702,535 5.825,536 5.825,537 3.22,538 5.051,539 5.556,540 3.991,541 4502.14,542 9.928,543 88161.1,546 624.136,547 1.65,548 5.483,549 0.245,550 0.008,551 0.068,552 0.052,553 0.039,554 0.024,555 0.019,556 0.014,557 0.013,558 0.009,559 0.492,560 0.17,561 0.63,562 1.336,563 282.862,564 -0.061,565 -0.096,566 0.024,567 -0.013,568 -0.053,569 0.018,570 0.247,571 -0.067,572 0.098,573 -0.037,574 0.159,575 -0.007,576 -0.078,577 -0.032,578 -0.157,579 -0.091,580 -0.113,581 -0.137,582 -0.04,583 -0.048,584 0.11,585 0.024,586 -0.05,587 0.088,588 0.143,589 0.038,590 -0.005,591 0.009,592 0.16,593 -0.019,594 -0.014,595 0.028,596 -0.002,597 0.008,598 -0.017,599 0.005,600 -0.098,601 -0.087,602 -0.048,603 -0.069,604 -0.093,605 -0.052,606 -0.056,607 0.071,608 -0.026,609 0.054,610 -0.021,611 0.028,612 2.888,613 7.272,614 0.438,615 62.167,616 1.004,617 1.133,618 1.512,619 2.287,620 0.634,621 3.951,622 4.29,623 4.466,624 4.745,625 4.934,626 4.997,627 5.142,628 5.247,629 5.313,630 5.384,631 8.879,632 0.602,633 661.88,634 3.951,635 5.509,636 6.333,637 7.219,638 8.066,639 8.955,640 9.814,641 10.704,642 11.572,643 12.462,644 5.3,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 95,670 21,671 2,672 51,673 98,674 36,675 14,676 3,677 9,679 4,680 5,684 5,685 2,687 9,688 19,689 17,690 2,691 5,692 5,695 5,699 47,700 11,701 5,702 12,705 5,706 0.75,707 7,710 1,712 1,713 3,715 1,719 2,720 1,721 1,728 1,729 1,731 3,734 5,737 48,739 1,740 6,741 3,742 1,744 5,745 1,746 1,749 7.4,751 1,752 5,754 1,755 26.75,756 17.9,757 10.403,758 5.753,759 2.365,760 1.288,761 0.914,762 12.833,763 10.572,764 4.174,765 4.689,766 5.093,767 5.595,768 5.999,769 6.113,770 6.434,771 6.736,772 6.675,773 6.896,774 0.9,775 72,776 18.177,777 8.006,778 7.967,779 33.771,780 27.839,781 2.467,782 118.417,785 494.386,786 186.113,787 73.942,789 179.408,792 186.113,793 673.794,794 73.942,795 44.126,796 71.935,797 94.334,798 183.432,799 36.73,800 20.678,801 482.615,803 494.386,804 260.055,805 179.408,807 317.82,808 355.974,810 132.846,811 127.208,814 494.386,815 253.35,816 186.113,817 494.386,818 47.653,819 141.584,820 70.818,821 179.408,822 494.386,823 253.35,824 186.113,825 0.585,826 0.31,827 0.173,828 0.098,829 30,830 17,831 0.153,832 15,833 1,834 1.095,835 5.207,836 510.504,837 0.095,838 21,839 257.323,841 37.11,842 16.599,843 10.903,844 1.75,845 236.564,846 19.083,848 3.179,850 1.852,852 113.501,853 933.849,854 64,855 66.199,858 -3.716,859 95.356,860 107.677,861 0.233,862 0.558,863 0.761,864 0.868,865 0.887,866 0.887,867 5.442,868 2.149,869 6.354,870 6.638,871 4.977,872 5.378,873 3.651,874 7.169,875 4.931,876 6.639,877 2.075,878 7.921,879 6.068,880 4.745,881 5.239,882 3.277,883 8.187,884 4.674,885 7.939,886 1.988,887 9.589,888 5.891,889 6.608,890 7.434,891 4.865,892 11.206,893 6.502,894 9.265,895 1.973,896 11.315,897 5.534,898 7.124,899 8.069,900 5.095,901 13.001,902 6.984,903 10.62,904 1.681,905 13.079,906 4.959,907 8.528,908 9.834,909 6.256,910 15.59,911 8.354,912 11.995,913 1.546,914 14.868,915 4.551,916 9.376,917 10.867,918 6.753,919 17.703,920 9.162,921 13.387,922 1.491,923 16.676,924 3.784,925 10.608,926 12.466,927 7.733,928 20.144,929 10.359,930 3.185,931 1.245,932 18.499,933 3.199,934 11.61,935 13.719,936 8.369,937 22.393,938 11.32,939 3.137,940 10.985,941 20.333,942 3.151,943 12.775,944 15.25,945 9.263,946 24.781,947 12.449,948 3.081,949 10.338,950 22.175,951 4.474,952 13.849,953 16.622,954 9.978,955 27.091,956 13.481,957 2.824,958 10.157,959 24.025,960 3.459,961 14.991,962 18.127,963 10.831,964 29.462,965 14.586,966 2.623,967 8.953,968 25.881,969 3.439,970 16.098,971 19.562,972 11.592,973 31.8,974 15.651,975 2.538,976 8.288,977 27.742,978 3.248,979 17.234,980 21.058,981 12.427,982 34.166,983 16.749,984 2.29,985 7.128,986 29.607,987 3.128,988 18.356,989 22.524,990 13.215,991 36.519,992 17.832,993 37074,994 60305,995 32.422,996 60.199,997 78.069,998 80.764,999 78.543,1000 76.473,1001 76.377,1002 93.347,1003 23.716,1004 220.212,1005 74.845,1006 5.53,1007 5.969,1008 6.554,1009 5.225,1010 5.185,1011 7.474,1012 4.044,1013 18.385,1014 5.074,1015 32.078,1016 1.531,1017 1.584,1018 1.54,1019 1.499,1020 1.498,1021 1.83,1022 0.465,1023 4.318,1024 1.468,1025 4.135,1026 4.17,1027 4.088,1028 4.05,1029 7.475,1030 4.055,1031 3.978,1032 4.021,1033 3.902,1034 3.879,1035 7.439,1036 3.873,1037 3.88,1038 3.916,1039 3.808,1040 3.739,1041 7.43,1042 3.753,1043 3.789,1044 3.835,1045 3.709,1046 3.615,1047 7.426,1048 3.622,1049 3.733,1050 3.781,1051 3.617,1052 3.566,1053 7.421,1054 3.568,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.542,1062 3.582,1063 3.436,1064 3.379,1065 4.971,1066 3.378,1067 3.44,1068 3.494,1069 3.319,1070 3.265,1071 4.753,1072 3.274,1073 0.089,1074 0.078,1075 0.132,1076 0.081,1077 0.062,1078 4.53,1079 0.088,1080 3.969,1081 0.046,1082 6.752,1083 0.215,1084 4.151,1085 0.06,1086 3.185,1087 4.474,1088 2.341,1089 10.985,1090 3.074,1091 1.942,1092 1.919,1093 2.077,1094 2.072,1095 1.37,1096 2.067,1097 1.934,1098 1.901,1099 2.041,1100 2.023,1101 1.309,1102 2.03,1103 1.835,1104 1.79,1105 2.015,1106 1.99,1107 1.238,1108 1.999,1109 1.748,1110 1.697,1111 1.947,1112 1.943,1113 1.157,1114 1.94,1115 1.708,1116 1.659,1117 1.938,1118 1.905,1119 1.118,1120 1.919,1121 1.665,1122 1.613,1123 1.848,1124 1.846,1125 1.041,1126 1.859,1127 1.513,1128 1.466,1129 1.737,1130 1.709,1131 0.993,1132 1.715,1133 1.433,1134 1.379,1135 1.629,1136 1.673,1137 0.818,1138 1.662,1139 4.635,1140 5.969,1141 2.398,1142 7.466,1143 4.727,1144 9.043,1145 6.823,1146 10.669,1147 8.945,1151 9.623,1152 1.03,1153 8.424,1154 5.454,1156 -3.891,1157 1.298,1158 -0.812,1159 57.173,1160 145.692,1161 348.149,1162 474.865,1163 541.733,1164 553.342,1165 553.342,1166 197.442,1167 8.207,1168 169.93,1169 169.93,1170 23,1171 12.996,1172 4.459,1173 3.807,1174 96.971,1175 249,1176 294,1177 0.179,1178 353.338,1179 634.07,1180 853.904,1181 45244,1183 35.009,1184 0.729,1185 0.588,1186 35.009,1187 28.247,1188 22.695,1189 0.445,1190 0.322,1191 16.201,1192 21.808,1193 15.659,1194 13.068,1195 22.695,1196 16.413,1197 21.962,1198 0.305,1199 0.191,1200 21.962,1201 13.787,1202 15.468,1203 0.18,1204 0.095,1205 15.468,1206 8.146,1207 13.413,1208 0.118,1209 0.052,1210 13.413,1211 5.955,1212 10.554,1213 0.076,1214 0.029,1215 10.554,1216 4.046,1217 0.28,1218 142.615,1219 0.176,1220 41.085,1221 0.499,1222 246,1223 745.539,1224 275.119,1225 707.914,1226 931.5,1227 654,1228 281,1229 657.541,1230 306.887,1231 659.88,1232 954.94,1233 618,1234 6.201}
{0 CHEMBL406844,1 1.537,2 25.429,3 5.449,4 29.691,5 213.785,6 7.238,7 0.393,8 4.736,9 4.859,10 4.27,11 4.244,12 5.815,13 4.227,14 5.29,15 5.467,16 4.603,17 4.63,18 6.378,19 4.581,20 5.581,21 5.797,22 4.697,23 4.797,24 6.6,25 4.725,26 5.642,27 5.87,28 4.693,29 4.783,30 6.708,31 4.712,32 5.617,33 5.835,34 4.713,35 4.801,36 6.742,37 4.73,38 5.643,39 5.866,40 4.709,41 4.8,42 6.784,43 4.72,44 5.641,45 5.878,46 4.599,47 4.74,48 6.72,49 4.65,50 5.554,51 5.792,52 4.493,53 4.637,54 6.625,55 4.553,56 0.056,57 1.535,58 22.186,59 9.417,60 13.519,61 12.612,62 0.76,63 2.449,64 42.586,65 15.479,66 65.964,67 21.542,68 0.741,69 3.049,70 59.886,71 20.687,72 97.556,73 29.108,74 1.007,75 3.102,76 65.74,77 21.237,78 129.457,79 29.91,80 1.022,81 3.081,82 63.088,83 21.037,84 137.642,85 29.52,86 0.994,87 3.116,88 64.859,89 21.966,90 151.848,91 31.17,92 1.037,93 3.014,94 66.359,95 21.385,96 140.987,97 30.29,98 0.924,99 2.708,100 61.46,101 19.375,102 130.642,103 27.143,104 26,105 81,106 0.22,107 0.524,108 0.73,109 0.857,110 0.891,111 0.894,112 4.045,113 0.939,114 -4.37,115 -4.3,116 -4.06,117 41,119 5,121 1,122 7,125 1,132 17,133 4,134 3,140 1,141 2,142 2,150 20,152 2,153 12,156 6,157 1,158 5,161 20,165 2,166 12,169 2,171 2,174 12,177 1,178 17,181 3,182 1,183 6,185 11,188 3,189 13,191 3,193 8,195 15,198 3,199 12,202 2,204 11,206 13,209 1,210 17,213 2,214 1,215 8,217 9,221 16,223 1,225 6,227 9,230 2,231 7,234 3,235 1,236 4,239 17,243 9642,244 38.258,245 38.258,246 38.258,247 38.258,248 38.258,249 34.657,250 49.263,251 23.381,252 38.937,253 30.199,254 30.199,255 30.199,256 30.199,257 30.199,258 24.557,259 66.952,260 11.254,261 31.209,262 5.177,263 3.051,264 1.613,265 0.723,266 0.491,267 0.464,268 4.753,273 3107,274 5.292,276 1059.06,277 205.527,280 343.218,282 4.026,283 61.499,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 121.5,294 1424,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.204,302 11.429,303 3.155,304 4.104,305 3.649,306 6.31,307 3.774,308 2.794,309 3.685,310 2.062,311 9.331,312 2.731,313 4.086,314 3.57,315 5.941,316 3.72,317 2.755,318 3.676,319 1.907,320 8.331,321 2.665,322 4.048,323 3.533,324 5.684,325 3.705,326 2.728,327 3.53,328 1.653,329 8.011,330 2.663,331 3.886,332 3.188,333 5.646,334 3.538,335 2.57,336 3.171,337 0.916,338 7.861,339 2.491,340 3.702,341 3.06,342 5.327,343 3.415,344 2.463,345 2.891,346 0.86,347 6.945,348 2.391,349 3.637,350 2.847,351 5.244,352 3.39,353 2.431,354 2.835,355 0.85,356 6.571,357 2.288,358 3.573,359 2.823,360 5.112,361 3.31,362 2.334,363 2.769,364 0.814,365 6.162,366 2.251,367 3.564,368 2.791,369 5.047,370 3.197,371 2.215,372 2.712,373 0.488,374 5.97,375 2.137,376 3.405,377 2.33,378 4.955,379 2.987,380 2.022,381 2.693,382 0.219,383 5.774,384 1.946,385 3.238,386 2.312,387 4.851,388 2.969,389 2.013,390 2.421,391 0.172,392 5.573,393 1.913,394 3.218,395 2.245,396 4.676,397 2.806,398 1.814,399 2.346,400 0.149,401 4.977,402 1.79,403 2.958,404 1.899,405 4.203,406 2.573,407 1.599,408 2.118,409 0.141,410 3.531,411 1.551,412 2.776,413 1.832,414 4.003,415 2.543,416 1.554,417 1.896,418 0.03,419 3.33,420 1.532,421 2.721,422 1.686,423 3.718,424 2.393,425 1.417,426 1.789,428 3.091,429 1.379,430 26.3,431 0.47,432 1.112,433 0.02,434 69.5,435 1.241,436 33,437 0.589,438 36.5,439 0.652,440 56.314,441 1.006,442 61.3,443 0.584,444 67.864,445 1.212,446 14.073,447 0.251,448 13.244,449 0.237,450 0.07,452 0.278,454 0.771,455 1.399,456 0.815,457 1.156,458 0.561,459 1.01,460 0.758,461 1.09,462 0.956,463 1.033,464 0.538,465 1.022,466 1.009,467 1.091,468 0.985,469 1.031,470 0.908,471 1.005,472 1.213,473 1.007,474 1.003,475 0.944,476 1.192,477 0.94,478 1.095,479 1.03,480 1.012,481 0.992,482 1.058,483 0.986,484 0.931,485 1.139,486 0.961,487 1.079,488 1.003,489 1.031,490 1.179,491 1.007,492 1.045,493 0.994,494 1.169,495 0.995,496 1.402,497 0.956,498 1.066,499 0.925,500 1.405,501 0.938,502 9.5,503 0.283,504 4.444,505 3.5,506 2.719,507 1.691,508 1.23,509 0.735,510 0.626,511 0.366,512 89148,513 214911,514 2.096,515 46.7,516 2,517 34,518 1,520 4,521 2,522 4,523 2,524 1.869,525 2,526 4.51,527 1.232,530 161.384,531 1.537,532 3.663,533 5.101,534 5.991,535 6.224,536 6.25,537 3.959,538 5.593,539 5.78,540 4.814,541 7414.23,542 10.259,543 194799,546 704.996,547 1.23,548 5.756,549 0.156,550 0.005,551 0.055,552 0.04,553 0.032,554 0.019,555 0.014,556 0.01,557 0.009,558 0.006,559 0.346,561 0.5,562 0.415,563 364.027,564 -0.042,565 -0.165,566 0.049,567 -0.056,568 -0.027,569 0.002,570 0.165,571 0.058,572 -0.02,573 -0.014,574 0.098,575 -0.046,576 -0.036,577 -0.043,578 -0.012,579 -0.034,580 -0.03,581 -0.023,582 -0.061,583 0.001,584 0.008,585 0.025,586 -0.046,587 0.025,588 0.008,589 0.001,590 -0.018,591 -0.008,592 0.036,593 -0.016,594 0.106,595 -0.132,596 0.029,597 -0.087,598 0.114,599 -0.047,600 -0.04,601 -0.025,602 -0.03,603 -0.027,604 -0.024,605 -0.026,606 -0.158,607 0.007,608 -0.034,609 0.035,610 -0.097,611 0.025,612 2.517,613 6.451,614 0.625,615 112.097,616 1.002,617 1.128,618 3.141,619 9.864,620 0.655,621 4.127,622 4.407,623 4.635,624 4.875,625 5.1,626 5.17,627 5.288,628 5.384,629 5.451,630 5.493,631 14.784,632 0.624,633 759.99,634 4.127,635 5.652,636 6.479,637 7.332,638 8.176,639 9.038,640 9.891,641 10.76,642 11.621,643 12.495,644 6.7,647 1,649 5,651 1,654 17,658 7,660 24,661 1,667 1,669 105,670 29,671 4,672 61,673 110,674 43,675 24,676 7,677 17,678 1,679 6,680 7,683 1,685 3,687 5,688 29,689 14,691 5,692 4,694 1,695 5,699 49,700 13,701 4,702 13,705 7,706 0.833,707 6,713 5,714 1,717 1,719 1,720 1,727 1,728 1,731 5,734 1,737 56,740 12,741 4,742 2,744 1,745 2,749 5.7,752 4,754 2,755 28,756 18.6,757 12.5,758 6.397,759 4.283,760 1.46,761 0.973,762 15.044,763 13.584,764 4.369,765 4.868,766 5.338,767 5.843,768 6.346,769 6.497,770 6.829,771 7.126,772 7.383,773 7.617,774 1,775 87,776 20.894,777 8.867,778 7.774,779 39.789,780 32.284,781 2.274,782 127.333,785 529.7,786 248.582,787 95.077,789 122.579,792 248.582,793 652.279,794 95.077,795 8.396,796 107.553,797 161.096,798 112.746,799 65.409,800 22.809,801 517.928,803 529.7,804 343.659,805 122.579,807 459.073,808 193.206,810 127.463,811 216.196,814 529.7,815 217.657,816 248.582,817 529.7,818 79.09,819 175.741,820 72.043,821 139.365,822 529.7,823 217.657,824 248.582,825 0.568,826 0.322,827 0.174,828 0.097,829 33,830 15,831 0.145,832 16,833 1,834 1.057,835 6.514,836 580.386,837 0.057,838 35,839 317.212,841 40.606,842 20.747,843 12.223,845 217.657,846 31.945,850 5.394,852 72.043,853 995.938,854 78,855 51.216,857 4.709,858 -1.296,859 105.232,860 118.464,861 0.229,862 0.546,863 0.76,864 0.892,865 0.927,866 0.931,867 5.595,868 2.334,869 6.428,870 6.571,871 5.094,872 5.557,873 3.507,874 7.177,875 5.03,876 6.752,877 2.215,878 7.943,879 6.162,880 4.511,881 5.156,882 2.863,883 7.943,884 4.426,885 8.022,886 2.022,887 9.558,888 5.97,889 6.621,890 7.59,891 4.493,892 11.064,893 6.492,894 9.322,895 2.013,896 11.237,897 5.774,898 6.878,899 7.998,900 4.549,901 12.724,902 6.725,903 10.655,904 1.814,905 12.96,906 5.573,907 8.416,908 9.908,909 5.758,910 15.361,911 8.227,912 12.011,913 1.599,914 14.715,915 4.977,916 9.091,917 10.72,918 6.116,919 17.427,920 8.875,921 13.386,922 1.554,923 16.494,924 3.531,925 10.382,926 12.391,927 7.134,928 19.909,929 10.136,930 3.254,931 1.417,932 18.294,933 3.33,934 11.28,935 13.433,936 7.65,937 22.167,938 11.005,939 2.794,940 11.429,941 20.111,942 3.091,943 12.467,944 14.978,945 8.566,946 24.603,947 12.163,948 2.755,949 9.331,950 21.941,951 4.133,952 13.484,953 16.158,954 9.176,955 26.951,956 13.15,957 2.728,958 8.331,959 23.784,960 3.685,961 14.633,962 17.634,963 10.034,964 29.376,965 14.271,966 2.57,967 8.011,968 25.637,969 3.676,970 15.715,971 18.899,972 10.701,973 31.767,974 15.321,975 2.463,976 7.861,977 27.5,978 3.53,979 16.857,980 20.336,981 11.526,982 34.191,983 16.434,984 2.431,985 6.945,986 29.37,987 3.171,988 17.974,989 21.654,990 12.23,991 36.603,992 17.52,993 82631,994 128891,995 41.432,996 68.756,997 89.868,998 92.79,999 91,1000 88.681,1001 88.668,1002 111.288,1003 24.928,1004 240.89,1005 85.976,1006 5.553,1007 5.906,1008 6.675,1009 5.309,1010 5.254,1011 7.133,1012 3.951,1013 19.038,1014 5.155,1015 24.656,1016 1.473,1017 1.521,1018 1.492,1019 1.454,1020 1.454,1021 1.824,1022 0.409,1023 3.949,1024 1.409,1025 4.056,1026 4.09,1027 4.008,1028 3.968,1029 7.439,1030 3.972,1031 3.957,1032 3.994,1033 3.891,1034 3.872,1035 7.432,1036 3.871,1037 3.925,1038 3.956,1039 3.864,1040 3.847,1041 7.427,1042 3.846,1043 3.829,1044 3.862,1045 3.758,1046 3.764,1047 7.424,1048 3.758,1049 3.793,1050 3.849,1051 3.663,1052 3.654,1053 4.889,1054 3.646,1055 3.751,1056 3.806,1057 3.653,1058 3.548,1059 4.838,1060 3.562,1061 3.636,1062 3.681,1063 3.574,1064 3.418,1065 4.764,1066 3.453,1067 3.583,1068 3.643,1069 3.473,1070 3.381,1071 4.681,1072 3.383,1073 0.075,1074 0.064,1075 0.113,1076 0.069,1077 0.053,1078 4.553,1079 0.068,1080 3.906,1081 0.036,1082 6.873,1083 0.187,1084 4.224,1085 0.052,1086 3.254,1087 4.133,1088 2.204,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.078,1094 2.056,1095 1.412,1096 2.066,1097 1.924,1098 1.894,1099 2.057,1100 2.04,1101 1.201,1102 2.046,1103 1.912,1104 1.885,1105 2.022,1106 2.02,1107 1.169,1108 2.02,1109 1.837,1110 1.806,1111 1.985,1112 1.953,1113 1.148,1114 1.963,1115 1.789,1116 1.731,1117 1.961,1118 1.945,1119 1.131,1120 1.948,1121 1.684,1122 1.626,1123 1.903,1124 1.907,1125 1.076,1126 1.907,1127 1.576,1128 1.529,1129 1.802,1130 1.822,1131 1.036,1132 1.798,1133 1.546,1134 1.484,1135 1.715,1136 1.778,1137 0.825,1138 1.783,1139 4.812,1140 6.103,1142 7.574,1143 2.708,1144 9.129,1145 5.46,1146 10.73,1147 1.654,1152 8.815,1153 10.883,1154 11.229,1156 -1.184,1157 3.97,1159 65.501,1160 161.384,1161 384.661,1162 535.593,1163 629.08,1164 653.486,1165 656.241,1166 137.633,1167 9.301,1168 153.7,1169 153.7,1170 37,1171 13.039,1172 4.907,1173 4.17,1174 97.122,1175 506,1176 522,1177 0.088,1178 400.653,1179 719.56,1180 969.352,1181 259935,1183 39.116,1184 0.699,1185 0.566,1186 39.116,1187 31.669,1188 27.318,1189 0.448,1190 0.313,1191 18.827,1192 26.253,1193 18.464,1194 15.302,1195 27.318,1196 19.103,1197 23.858,1198 0.295,1199 0.17,1200 23.858,1201 13.749,1202 19.389,1203 0.19,1204 0.093,1205 19.389,1206 9.5,1207 15.906,1208 0.122,1209 0.051,1210 15.906,1211 6.638,1212 12.873,1213 0.079,1214 0.028,1215 12.873,1216 4.552,1217 0.149,1218 171.399,1219 0.155,1220 49.041,1221 0.214,1222 284,1223 848.68,1224 314.595,1225 808.9,1226 1091.06,1227 758,1228 325,1229 781.807,1230 354.107,1231 787.661,1232 1147.86,1233 741,1234 6.509}
{0 CHEMBL424370,1 1.538,2 13,3 3.213,4 10.323,5 141.59,6 7.204,7 0.39,8 4.355,9 4.478,10 3.873,11 3.875,12 5.467,13 3.852,14 4.912,15 5.085,16 4.247,17 4.29,18 6.03,19 4.235,20 5.252,21 5.465,22 4.315,23 4.459,24 6.289,25 4.375,26 5.368,27 5.607,28 4.378,29 4.469,30 6.431,31 4.393,32 5.358,33 5.568,34 4.481,35 4.449,36 6.729,37 4.402,38 5.409,39 5.633,40 4.424,41 4.491,42 6.642,43 4.431,44 5.412,45 5.623,46 4.418,47 4.553,48 6.559,49 4.476,50 5.494,51 5.731,52 4.439,53 4.584,54 6.653,55 4.491,56 0.07,57 1.036,58 15.276,59 6.642,60 16.644,61 8.828,62 0.387,63 1.693,64 28.656,65 11.202,66 63.44,67 15.684,68 0.647,69 2.163,70 43.242,71 14.901,72 102.187,73 20.928,74 0.72,75 2.282,76 50.5,77 16.055,78 119.647,79 23.096,80 1.252,81 2.251,82 49.935,83 15.083,84 228.075,85 21.344,86 1.136,87 2.319,88 53.396,89 16.033,90 211.371,91 22.309,92 0.83,93 2.361,94 52.088,95 17.473,96 157.661,97 23.827,98 0.987,99 2.478,100 57.942,101 19.405,102 188.083,103 26.952,104 58,105 57,106 0.239,107 0.579,108 0.78,109 0.86,110 0.881,111 0.881,112 3.668,113 0.945,114 -2.87,115 -2.88,116 -2.79,117 40.3,118 2,119 4,120 1,122 1,124 3,132 9,133 3,138 1,139 1,141 4,148 1,149 1,150 16,151 1,152 1,153 3,156 3,158 7,161 17,165 1,166 5,167 1,169 3,171 7,174 10,177 1,178 7,179 1,181 1,183 6,184 1,185 5,188 4,189 12,190 1,191 4,192 2,193 4,195 5,198 1,199 12,202 2,203 1,204 5,205 1,206 7,207 2,210 12,213 1,214 1,215 6,217 11,218 2,220 1,221 11,222 1,223 3,225 8,227 14,228 5,230 1,231 12,234 1,236 10,239 15,240 3,243 3102,244 25.154,245 25.154,246 25.154,247 25.154,248 25.154,249 22.648,250 22.393,251 15.007,252 25.343,253 20.287,254 20.287,255 20.287,256 20.287,257 20.287,258 16.462,259 24.538,260 7.198,261 20.568,262 4.631,263 2.44,264 1.144,265 0.627,266 0.493,267 0.493,268 4.357,272 1,273 1055,274 4.899,275 99.384,276 407.695,278 184.808,282 1.842,283 56.753,285 0.75,286 0.5,287 0.67,288 0.9,289 0.5,290 0.83,291 1,292 0.74,293 83,294 494,295 4.529,296 3.965,297 6.751,298 4.15,299 3.184,300 4.475,301 2.341,302 10.984,303 3.072,304 4.298,305 3.711,306 6.533,307 4.059,308 3.072,309 3.481,310 2.026,311 10.301,312 3.031,313 3.943,314 3.589,315 6.044,316 3.736,317 2.747,318 3.421,319 1.978,320 8.633,321 2.71,322 3.873,323 3.543,324 5.557,325 3.575,326 2.579,327 3.066,328 1.924,329 7.597,330 2.567,331 3.634,332 3.076,333 5.322,334 3.312,335 2.3,336 2.888,337 0.634,338 6.666,339 2.315,340 3.501,341 2.833,342 5.137,343 3.195,344 2.203,345 2.654,346 0.329,347 6.103,348 2.171,349 3.295,350 2.527,351 5.046,352 3.131,353 2.138,354 2.54,355 0.153,356 5.956,357 2.119,358 3.206,359 2.292,360 4.761,361 2.951,362 1.946,363 2.318,364 0.044,365 5.155,366 1.938,367 3.185,368 2.201,369 4.618,370 2.853,371 1.865,372 2.284,374 4.925,375 1.839,376 3.045,377 2.123,378 4.485,379 2.581,380 1.594,381 2.219,383 4.365,384 1.558,385 2.824,386 1.794,387 4.148,388 2.518,389 1.545,390 1.916,392 3.697,393 1.5,394 2.763,395 1.546,396 3.755,397 2.408,398 1.412,399 1.757,401 3.047,402 1.405,403 2.625,404 1.517,405 3.597,406 2.141,407 1.149,408 1.669,410 2.745,411 1.138,412 2.5,413 1.258,414 3.571,415 2,416 1,417 1.5,419 2.245,420 1,421 2.218,422 1.239,423 3.247,424 1.88,425 0.855,426 1.041,428 2.136,429 0.862,430 17.767,431 0.468,432 1.052,433 0.028,434 44,435 1.158,436 20,437 0.526,438 24,439 0.632,440 40.941,441 1.077,442 42.233,443 0.587,444 40.469,445 1.065,446 8.672,447 0.228,448 9.535,449 0.251,450 0.15,452 0.36,454 0.73,455 1.309,456 0.832,457 1.101,458 0.599,459 0.995,460 0.51,461 1.262,462 0.87,463 1.134,464 0.463,465 1.072,466 0.97,467 1.078,468 1.079,469 1.068,470 0.969,471 1.084,472 1.051,473 1.049,474 0.927,475 0.961,476 1.069,477 0.923,478 1.064,479 1.071,480 0.987,481 1.01,482 1.107,483 0.983,484 1.391,485 0.894,486 1.076,487 0.865,488 1.375,489 0.899,490 1.296,491 1.033,492 1.116,493 1.046,494 1.372,495 1.051,496 1.097,497 0.933,498 0.965,499 0.958,500 1.161,501 0.948,502 8.5,503 0.326,504 3.556,505 3.104,506 2.333,507 1.618,508 1.137,509 0.963,510 0.71,511 0.474,512 21230,513 56625,514 2.022,515 47.2,516 7,517 14,518 1,520 4,521 4,522 4,524 1.795,525 1.869,526 3.619,527 1.449,530 110.77,531 1.538,532 3.73,533 5.025,534 5.543,535 5.677,536 5.677,537 3.077,538 4.827,539 5.218,540 3.806,541 2675.95,542 9.236,543 44159.3,546 444.235,547 1.49,548 5.165,549 0.207,550 0.007,551 0.062,552 0.054,553 0.038,554 0.025,555 0.018,556 0.015,557 0.011,558 0.008,559 0.445,560 0.17,561 0.88,562 1.035,563 209.274,564 -0.068,565 -0.06,566 0.021,567 0.025,568 -0.044,569 0.037,570 0.173,571 -0.099,572 0.024,573 -0.07,574 0.113,575 -0.056,576 -0.054,577 -0.011,578 -0.119,579 -0.073,580 -0.106,581 -0.104,582 -0.034,583 -0.056,584 0.072,585 0.001,586 -0.059,587 0.048,588 0.218,589 -0.045,590 0.038,591 -0.067,592 0.206,593 -0.05,594 -0.085,595 0.101,596 -0.041,597 0.075,598 -0.029,599 0.037,600 -0.133,601 -0.037,602 -0.118,603 -0.056,604 -0.127,605 -0.08,606 -0.003,607 0.009,608 0.041,609 0.025,610 -0.007,611 0.037,612 2.84,613 6.852,614 0.553,615 43.632,616 1.004,617 1.129,618 1.643,619 2.701,620 0.649,621 3.738,622 4.06,623 4.29,624 4.585,625 4.787,626 4.82,627 4.942,628 5.05,629 5.063,630 5.118,631 7.716,632 0.619,633 518.67,634 3.738,635 5.283,636 6.12,637 7.002,638 7.863,639 8.749,640 9.621,641 10.51,642 11.387,643 12.277,644 5.6,649 3,650 1,653 2,654 10,656 1,658 2,660 16,669 72,670 20,671 2,672 41,673 75,674 29,675 14,676 3,677 9,679 4,680 5,684 2,685 2,687 7,688 18,689 11,690 1,691 4,692 4,695 4,699 34,700 8,701 4,702 9,705 4,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,721 1,729 1,731 3,734 2,737 38,739 1,740 5,741 2,744 4,745 1,749 6.9,751 1,752 4,755 20.333,756 12.983,757 8.333,758 4.357,759 2.542,760 1.321,761 0.941,762 9.109,763 10.452,764 3.989,765 4.519,766 4.983,767 5.518,768 5.946,769 6.061,770 6.377,771 6.661,772 6.552,773 6.752,774 0.889,775 58,776 14.326,777 6.331,778 7.965,779 26.753,780 22.307,781 2.465,782 93.667,785 353.133,786 150.34,787 55.931,789 143.263,792 150.34,793 496.396,794 55.931,795 17.65,796 51.39,797 94.334,798 158.287,799 25.73,800 13.915,801 341.362,803 353.133,804 206.271,805 143.263,807 306.049,808 190.347,810 85.826,811 120.446,814 353.133,815 199.194,816 150.34,817 353.133,818 38.356,819 115.108,820 52.807,821 143.263,822 353.133,823 199.194,824 150.34,825 0.579,826 0.321,827 0.185,828 0.108,829 25,830 13,831 0.133,832 10,833 1,834 1.095,835 4.622,836 371.109,837 0.095,838 21,839 190.666,841 27.716,842 12.488,843 7.177,844 1.859,845 182.409,846 19.037,848 3.152,850 1.811,852 95.49,853 702.667,854 53,855 51.507,858 -2.425,859 72.298,860 81.268,861 0.249,862 0.604,863 0.815,864 0.898,865 0.92,866 0.92,867 5.236,868 1.946,869 6.111,870 5.956,871 4.745,872 5.207,873 3.413,874 6.915,875 4.716,876 6.422,877 1.865,878 7.664,879 5.155,880 4.369,881 4.987,882 3.071,883 7.794,884 4.333,885 7.712,886 1.594,887 9.316,888 4.925,889 6.326,890 7.29,891 4.6,892 10.909,893 6.258,894 9.029,895 1.545,896 11.028,897 4.365,898 6.735,899 7.895,900 4.861,901 12.632,902 6.652,903 10.379,904 1.412,905 12.779,906 3.697,907 8.192,908 9.726,909 5.978,910 15.274,911 8.079,912 11.752,913 1.149,914 14.558,915 3.047,916 8.976,917 10.76,918 6.505,919 17.362,920 8.84,921 13.144,922 1,923 16.36,924 2.745,925 10.232,926 12.395,927 7.45,928 19.834,929 10.067,930 3.184,931 0.855,932 18.178,933 2.245,934 11.2,935 13.658,936 8.114,937 22.082,938 11.007,939 3.072,940 10.984,941 20.01,942 2.136,943 12.374,944 15.209,945 8.984,946 24.491,947 12.153,948 2.747,949 10.301,950 21.853,951 4.475,952 13.431,953 16.59,954 9.722,955 26.809,956 13.178,957 2.579,958 8.633,959 23.705,960 3.481,961 14.576,962 18.105,963 10.561,964 29.196,965 14.294,966 2.3,967 7.597,968 25.565,969 3.421,970 15.674,971 19.546,972 11.341,973 31.545,974 15.361,975 2.203,976 6.666,977 27.43,978 3.066,979 16.81,980 21.048,981 12.17,982 33.925,983 16.467,984 2.138,985 6.103,986 29.301,987 2.888,988 17.929,989 22.518,990 12.974,991 36.29,992 17.555,993 20396,994 33481,995 26.759,996 46.716,997 62.385,998 64.387,999 63.182,1000 61.151,1001 61.146,1002 77.054,1003 18.855,1004 173.914,1005 60.366,1006 5.529,1007 5.965,1008 6.553,1009 5.219,1010 5.184,1011 7.475,1012 3.925,1013 18.376,1014 5.072,1015 21.716,1016 1.522,1017 1.57,1018 1.541,1019 1.491,1020 1.491,1021 1.879,1022 0.46,1023 4.242,1024 1.472,1025 4.131,1026 4.165,1027 4.086,1028 4.046,1029 7.475,1030 4.051,1031 3.979,1032 4.021,1033 3.906,1034 3.881,1035 7.435,1036 3.877,1037 3.858,1038 3.896,1039 3.785,1040 3.718,1041 7.426,1042 3.73,1043 3.748,1044 3.802,1045 3.643,1046 3.595,1047 7.422,1048 3.596,1049 3.563,1050 3.612,1051 3.446,1052 3.413,1053 6.351,1054 3.415,1055 3.501,1056 3.533,1057 3.408,1058 3.313,1059 4.968,1060 3.32,1061 3.406,1062 3.462,1063 3.293,1064 3.229,1065 4.753,1066 3.239,1067 3.27,1068 3.316,1069 3.188,1070 3.036,1071 4.313,1072 3.064,1073 0.11,1074 0.097,1075 0.165,1076 0.101,1077 0.078,1078 4.529,1079 0.109,1080 3.965,1081 0.057,1082 6.751,1083 0.268,1084 4.15,1085 0.075,1086 3.184,1087 4.475,1088 2.341,1089 10.984,1090 3.072,1091 1.94,1092 1.917,1093 2.072,1094 2.074,1095 1.349,1096 2.069,1097 1.936,1098 1.904,1099 2.037,1100 2.018,1101 1.297,1102 2.025,1103 1.819,1104 1.774,1105 2.011,1106 1.975,1107 1.187,1108 1.986,1109 1.728,1110 1.676,1111 1.911,1112 1.909,1113 1.119,1114 1.917,1115 1.623,1116 1.575,1117 1.787,1118 1.812,1119 0.934,1120 1.811,1121 1.446,1122 1.403,1123 1.672,1124 1.669,1125 0.93,1126 1.66,1127 1.387,1128 1.329,1129 1.605,1130 1.632,1131 0.798,1132 1.626,1133 1.178,1134 1.124,1135 1.417,1136 1.445,1137 0.536,1138 1.429,1139 4.419,1140 5.74,1141 2.398,1142 7.238,1143 4.727,1144 8.825,1145 6.823,1146 10.463,1147 3.893,1151 9.453,1152 0.594,1153 5.764,1156 -2.325,1157 1.347,1159 44.562,1160 110.77,1161 268.538,1162 361.831,1163 399.115,1164 408.725,1165 408.725,1166 122.062,1167 7.91,1168 131.6,1169 131.6,1170 23,1171 12.809,1172 4.392,1173 3.7,1174 67.089,1175 170,1176 184,1177 0.182,1178 274.332,1179 487.03,1180 661.13,1181 31875,1183 27.233,1184 0.717,1185 0.57,1186 27.233,1187 21.646,1188 18.206,1189 0.444,1190 0.315,1191 12.767,1192 17.576,1193 12.438,1194 10.324,1195 18.206,1196 12.918,1197 16.883,1198 0.296,1199 0.18,1200 16.883,1201 10.285,1202 12.811,1203 0.178,1204 0.094,1205 12.811,1206 6.785,1207 11.182,1208 0.115,1209 0.052,1210 11.182,1211 5.065,1212 9.14,1213 0.077,1214 0.029,1215 9.14,1216 3.432,1217 0.284,1218 113.933,1219 0.193,1220 34.203,1221 0.508,1222 196,1223 583.736,1224 215.647,1225 559.684,1226 738.74,1227 518,1228 227,1229 518.66,1230 245.324,1231 522.754,1232 758.68,1233 492,1234 4.886}
{0 CHEMBL432671,1 1.766,2 25.327,3 2.329,4 5.422,5 209.878,6 8.263,7 0.39,8 4.651,9 4.772,10 4.326,11 4.183,12 5.842,13 4.161,14 5.151,15 5.308,16 4.666,17 4.552,18 6.382,19 4.496,20 5.398,21 5.585,22 4.729,23 4.675,24 6.578,25 4.619,26 5.484,27 5.679,28 4.811,29 4.702,30 6.747,31 4.632,32 5.484,33 5.683,34 4.748,35 4.699,36 6.719,37 4.641,38 5.518,39 5.727,40 4.701,41 4.69,42 6.746,43 4.619,44 5.483,45 5.693,46 4.659,47 4.616,48 6.713,49 4.55,50 5.428,51 5.655,52 4.536,53 4.552,54 6.652,55 4.469,56 0.21,57 1.491,58 17.98,59 8.18,60 27.196,61 9.74,62 0.879,63 2.293,64 38.747,65 14.348,66 70.259,67 17.422,68 0.975,69 2.722,70 49.856,71 16.883,72 124.983,73 20.96,74 1.371,75 2.827,76 61.484,77 19.889,78 177.455,79 24.063,80 1.207,81 2.849,82 56.477,83 18.407,84 149.73,85 22.91,86 1.242,87 2.852,88 60.1,89 19.896,90 167.025,91 24.952,92 1.342,93 2.708,94 58.903,95 17.851,96 164.738,97 22.739,98 1.278,99 2.488,100 59.527,101 18.821,102 174.745,103 23.911,104 67,105 79,106 0.257,107 0.604,108 0.784,109 0.867,110 0.898,111 0.902,112 4.027,113 0.963,114 -2.4,115 -2.43,116 -2.38,117 38.9,119 1,121 1,122 4,123 1,125 1,129 1,131 1,132 13,133 3,134 2,136 1,138 1,140 1,141 3,142 2,143 1,145 2,146 2,147 2,150 14,152 2,153 9,156 7,157 3,158 6,160 2,161 16,163 2,164 1,165 2,166 8,169 2,171 3,174 10,177 2,178 12,180 2,181 8,182 1,183 9,185 7,187 2,188 2,189 13,191 3,193 8,195 10,198 2,199 13,202 2,203 1,204 9,206 7,209 1,210 15,213 2,214 1,215 12,217 4,219 2,220 3,221 12,223 2,225 6,227 6,230 2,231 6,234 2,235 2,236 3,239 15,243 9351,244 36.843,245 36.843,246 36.843,247 36.843,248 36.843,249 32.905,250 42.67,251 22.348,252 37.843,253 29.182,254 29.182,255 29.182,256 29.182,257 29.182,258 23.031,259 54.133,260 10.744,261 30.679,262 4.804,263 2.417,264 1.178,265 0.608,266 0.395,267 0.366,268 4.724,273 2986,274 5.874,275 205.869,276 591.055,277 203.777,280 340.376,282 4.128,283 72.562,285 0.25,286 0.33,287 0.33,288 0.5,290 0.17,292 0.23,293 121,294 1393,295 4.553,296 4.25,297 6.873,298 4.224,299 3.254,300 4.133,301 3.272,302 11.429,303 3.155,304 4.164,305 3.906,306 6.31,307 3.774,308 2.794,309 3.791,310 2.204,311 9.331,312 2.731,313 4.104,314 3.751,315 5.941,316 3.705,317 2.763,318 3.685,319 2.166,320 8.331,321 2.665,322 4.048,323 3.644,324 5.675,325 3.663,326 2.728,327 3.53,328 2.062,329 7.971,330 2.565,331 3.886,332 3.533,333 5.646,334 3.563,335 2.571,336 3.171,337 1.723,338 7.861,339 2.491,340 3.831,341 3.367,342 5.315,343 3.537,344 2.553,345 3.037,346 1.653,347 6.867,348 2.482,349 3.675,350 3.188,351 5.243,352 3.336,353 2.385,354 2.913,355 0.85,356 6.567,357 2.258,358 3.634,359 2.889,360 5.107,361 3.213,362 2.244,363 2.879,364 0.82,365 6.084,366 2.158,367 3.581,368 2.847,369 5.03,370 3.184,371 2.229,372 2.79,373 0.488,374 6.041,375 2.106,376 3.406,377 2.791,378 4.977,379 3.026,380 2.042,381 2.694,382 0.478,383 5.792,384 1.999,385 3.372,386 2.554,387 4.679,388 2.984,389 2.012,390 2.492,391 0.4,392 5.094,393 1.944,394 3.217,395 2.312,396 4.647,397 2.805,398 1.813,399 2.42,400 0.219,401 4.972,402 1.789,403 3.043,404 2.245,405 4.338,406 2.644,407 1.775,408 2.153,409 0.168,410 4.341,411 1.532,412 2.958,413 2.196,414 4.203,415 2.543,416 1.554,417 2.118,418 0.03,419 3.531,420 1.523,421 2.776,422 1.899,423 4.003,424 2.392,425 1.489,426 1.896,428 3.203,429 1.32,430 26.167,431 0.476,432 1.294,433 0.024,434 69.5,435 1.264,436 33.5,437 0.609,438 36,439 0.655,440 54.824,441 0.997,442 59.633,443 0.628,444 68.728,445 1.25,446 14.068,447 0.256,448 12.482,449 0.227,450 0.113,452 0.302,454 0.83,455 1.267,456 0.755,457 0.935,458 0.652,459 0.881,460 0.612,461 1.083,462 1.031,463 1.097,464 0.532,465 1.006,466 1.114,467 1.077,468 1.007,469 1.001,470 1.096,471 1.014,472 1.045,473 1.03,474 0.939,475 0.981,476 1.069,477 0.977,478 1.119,479 1.053,480 1.005,481 0.992,482 1.037,483 1.005,484 1.08,485 1.067,486 1.001,487 1.031,488 1.06,489 1.036,490 1.274,491 1.045,492 0.998,493 1.001,494 1.349,495 1.039,496 1.037,497 0.963,498 0.98,499 0.964,500 1.085,501 0.942,502 11,503 0.345,504 4.667,505 4.007,506 2.791,507 1.938,508 1.188,509 0.818,510 0.66,511 0.425,512 81081,513 249718,514 2.035,515 42.1,517 25,518 4,520 9,521 2,524 1.865,525 1.908,526 4.495,527 5.06,530 167.78,531 1.766,532 4.153,533 5.392,534 5.962,535 6.175,536 6.204,537 3.97,538 5.527,539 5.75,540 4.809,541 7141.47,542 10.207,543 184413,546 624.136,547 1.389,548 5.712,549 0.186,550 0.006,551 0.059,552 0.048,553 0.033,554 0.023,555 0.015,556 0.011,557 0.01,558 0.007,559 0.398,560 0.17,561 0.38,562 0.72,563 355.664,564 -0.124,565 -0.057,566 0.034,567 0.058,568 -0.092,569 0.051,570 0.222,571 0.063,572 -0.042,573 -0.032,574 0.101,575 -0.043,576 -0.13,577 -0.019,578 -0.093,579 -0.041,580 -0.137,581 -0.064,582 0.063,583 -0.033,584 0.052,585 0.013,586 0.038,587 -0.004,588 -0.072,589 -0.027,590 -0.079,591 -0.05,592 -0.022,593 -0.054,594 -0.028,595 -0.089,596 -0.062,597 -0.08,598 0.004,599 -0.062,600 -0.109,601 -0.079,602 -0.06,603 -0.073,604 -0.119,605 -0.082,606 0.038,607 -0.036,608 0.013,609 0.008,610 0.053,611 0.06,612 2.544,613 6.425,614 0.509,615 112.348,616 1.015,617 1.13,618 1.167,619 1.361,620 0.679,621 4.094,622 4.382,623 4.585,624 4.828,625 5.004,626 5.106,627 5.215,628 5.283,629 5.352,630 5.403,631 14.6,632 0.65,633 785.01,634 4.094,635 5.624,636 6.444,637 7.302,638 8.141,639 9.007,640 9.858,641 10.729,642 11.588,643 12.464,644 10.5,645 2,649 6,651 1,652 1,654 14,655 1,657 1,658 7,660 23,661 1,669 95,670 30,671 3,672 59,673 99,674 37,675 21,676 5,677 13,678 3,679 5,680 6,683 1,687 1,688 29,689 8,691 7,692 5,693 1,694 1,695 7,699 40,700 16,701 9,702 18,703 2,705 10,706 0.8,707 6,712 1,713 3,714 1,717 1,719 2,720 1,722 1,723 1,725 2,728 1,731 4,732 1,733 2,734 1,737 55,738 2,740 6,741 5,742 1,743 1,744 1,745 1,747 1,749 6.3,752 5,754 1,755 28.833,756 16.683,757 12.25,758 5.051,759 4.083,760 1.453,761 0.975,762 15.633,763 13.089,764 4.363,765 4.881,766 5.336,767 5.858,768 6.284,769 6.485,770 6.809,771 7.056,772 7.322,773 7.567,774 1,775 83,776 20.452,777 8.695,778 7.979,779 37.849,780 30.055,781 2.479,782 136.333,785 364.904,786 273.913,787 192.544,789 136.725,791 63.497,792 210.415,793 501.629,794 192.544,795 8.396,796 171.681,797 140.317,798 160.31,799 47.94,800 58.123,801 381.317,803 364.904,804 402.959,805 136.725,806 63.497,807 364.904,808 136.725,810 192.153,811 184.544,812 26.262,813 63.497,814 364.904,815 329.268,816 273.913,817 364.904,818 125.2,819 151.837,820 90.054,821 236.09,822 364.904,823 329.268,824 273.913,825 0.571,826 0.316,827 0.172,828 0.092,829 31,830 16,831 0.162,832 16,833 1,834 1.071,835 6.345,836 558.366,837 0.071,838 28,839 311.975,840 2,841 41.386,842 20.776,843 12.905,845 329.268,846 25.318,847 4.392,849 1.433,850 4.75,852 155.848,853 968.085,854 77.5,855 63.014,856 1.59,857 4.683,858 -2.167,859 96.389,860 107.307,861 0.269,862 0.632,863 0.821,864 0.907,865 0.94,866 0.944,867 5.59,868 2.244,869 6.409,870 6.567,871 5.069,872 5.57,873 4.084,874 7.163,875 4.98,876 6.77,877 2.229,878 7.931,879 6.084,880 4.575,881 5.255,882 3.047,883 7.949,884 4.488,885 8.052,886 2.042,887 9.552,888 6.041,889 6.605,890 7.629,891 5.834,892 11.055,893 6.443,894 9.363,895 2.012,896 11.233,897 5.792,898 6.919,899 8.099,900 4.786,901 12.72,902 6.751,903 10.704,904 1.813,905 12.957,906 5.094,907 8.407,908 9.957,909 7.963,910 15.355,911 8.182,912 12.066,913 1.775,914 14.712,915 4.972,916 9.116,917 10.818,918 6.39,919 17.423,920 8.877,921 13.445,922 1.554,923 16.491,924 4.341,925 10.38,926 12.446,927 10.24,928 19.906,929 10.097,930 3.254,931 1.489,932 18.291,933 3.531,934 11.297,935 13.526,936 7.957,937 22.165,938 10.993,939 2.794,940 11.429,941 20.107,942 3.203,943 12.47,944 15.038,945 12.574,946 24.601,947 12.13,948 2.763,949 9.331,950 21.938,951 4.133,952 13.496,953 16.246,954 9.51,955 26.949,956 13.131,957 2.728,958 8.331,959 23.781,960 3.791,961 14.639,962 17.698,963 14.93,964 29.374,965 14.243,966 2.571,967 7.971,968 25.634,969 3.685,970 15.725,971 18.981,972 11.06,973 31.766,974 15.301,975 2.553,976 7.861,977 27.497,978 3.53,979 16.863,980 20.403,981 17.295,982 34.191,983 16.41,984 2.385,985 6.867,986 29.368,987 3.171,988 17.982,989 21.732,990 12.608,991 36.603,992 17.501,993 76914,994 135224,995 39.065,996 64.5,997 87.754,998 93.838,999 88.959,1000 86.011,1001 86.181,1002 110.573,1003 33.066,1004 235.954,1005 82.244,1006 5.53,1007 6.25,1008 6.675,1009 5.365,1010 5.254,1011 7.133,1012 6.545,1013 19.038,1014 5.155,1015 31.767,1016 1.487,1017 1.59,1018 1.508,1019 1.458,1020 1.461,1021 1.874,1022 0.56,1023 3.999,1024 1.394,1025 4.049,1026 4.081,1027 4.24,1028 3.966,1029 7.447,1030 3.968,1031 3.933,1032 3.963,1033 4.001,1034 3.882,1035 7.434,1036 3.857,1037 3.881,1038 3.905,1039 3.874,1040 3.852,1041 7.432,1042 3.804,1043 3.829,1044 3.862,1045 3.834,1046 3.764,1047 7.424,1048 3.758,1049 3.76,1050 3.806,1051 3.758,1052 3.557,1053 7.413,1054 3.565,1055 3.637,1056 3.683,1057 3.663,1058 3.432,1059 5.283,1060 3.453,1061 3.594,1062 3.655,1063 3.575,1064 3.418,1065 4.879,1066 3.394,1067 3.505,1068 3.568,1069 3.486,1070 3.277,1071 4.787,1072 3.304,1073 0.077,1074 0.072,1075 0.116,1076 0.072,1077 0.055,1078 4.553,1079 0.07,1080 4.25,1081 0.055,1082 6.873,1083 0.194,1084 4.224,1085 0.053,1086 3.254,1087 4.133,1088 3.272,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.04,1095 1.169,1096 2.046,1097 1.912,1098 1.885,1099 2.022,1100 2.02,1101 1.148,1102 2.019,1103 1.837,1104 1.806,1105 1.961,1106 1.945,1107 1.122,1108 1.948,1109 1.668,1110 1.624,1111 1.83,1112 1.914,1113 1.036,1114 1.892,1115 1.603,1116 1.563,1117 1.727,1118 1.823,1119 0.921,1120 1.799,1121 1.576,1122 1.534,1123 1.715,1124 1.801,1125 0.843,1126 1.791,1127 1.562,1128 1.528,1129 1.704,1130 1.781,1131 0.824,1132 1.773,1133 1.443,1134 1.387,1135 1.602,1136 1.653,1137 0.726,1138 1.662,1139 4.779,1140 6.075,1141 2.398,1142 7.537,1143 4.727,1144 9.08,1145 6.843,1146 10.672,1147 1.634,1150 10.917,1152 0.835,1153 12.877,1154 5.226,1155 1.574,1156 -1.211,1157 1.467,1159 61.779,1160 167.78,1161 394.533,1162 512.256,1163 566.362,1164 586.627,1165 589.381,1166 161.512,1167 9.006,1168 235.26,1169 288.8,1170 30,1171 13.007,1172 4.954,1173 4.285,1174 106.5,1175 487,1176 540,1177 0.101,1178 390.209,1179 695.5,1180 943.87,1181 171476,1183 39.158,1184 0.712,1185 0.57,1186 39.865,1187 31.376,1188 26.55,1189 0.45,1190 0.321,1191 16.809,1192 24.488,1193 16.271,1194 13.488,1195 27.504,1196 18.943,1197 23.735,1198 0.3,1199 0.176,1200 24.811,1201 13.885,1202 18.366,1203 0.189,1204 0.099,1205 19.58,1206 9.564,1207 15.233,1208 0.123,1209 0.055,1210 16.546,1211 6.816,1212 11.597,1213 0.078,1214 0.031,1215 12.703,1216 4.532,1217 0.17,1218 176.829,1219 0.16,1220 48.342,1221 0.245,1222 276,1223 915.358,1224 350.905,1225 918.005,1226 1216.79,1227 854,1228 314,1229 831.844,1230 377.851,1231 862.723,1232 1250.58,1233 807,1234 5.509}
{0 CHEMBL435339,1 1.546,2 14.043,3 4.295,4 18.446,5 174.286,6 7.042,7 0.32,8 4.592,9 4.717,10 4.084,11 4.075,12 5.694,13 4.053,14 5.162,15 5.341,16 4.481,17 4.487,18 6.292,19 4.438,20 5.501,21 5.708,22 4.536,23 4.675,24 6.542,25 4.594,26 5.647,27 5.897,28 4.629,29 4.695,30 6.71,31 4.623,32 5.613,33 5.816,34 4.738,35 4.684,36 7.004,37 4.651,38 5.672,39 5.89,40 4.759,41 4.779,42 6.877,43 4.728,44 5.76,45 5.967,46 4.822,47 4.872,48 6.94,49 4.817,50 5.868,51 6.093,52 4.833,53 4.932,54 7.076,55 4.86,56 0.095,57 1.311,58 20.264,59 8.464,60 21.068,61 11.497,62 0.656,63 2.101,64 38.404,65 14.112,66 90.268,67 20.178,68 0.977,69 2.677,70 56.65,71 18.651,72 131.475,73 26.486,74 1.016,75 2.873,76 67.916,77 20.008,78 161.189,79 30.006,80 1.9,81 2.826,82 65.8,83 17.86,84 320.671,85 26.114,86 1.397,87 3.031,88 68.952,89 20.706,90 238.554,91 29.758,92 1.254,93 3.274,94 74.685,95 23.191,96 211.01,97 32.775,98 1.841,99 3.511,100 85.185,101 25.444,102 309.77,103 36.35,104 142,105 71,106 0.229,107 0.545,108 0.735,109 0.836,110 0.855,111 0.855,112 3.874,113 0.955,114 -2.56,115 -2.59,116 -2.52,117 38,118 5,119 4,120 1,122 1,124 4,126 1,132 9,133 3,138 1,139 1,141 4,142 1,148 1,149 1,150 16,151 1,152 2,153 5,156 5,158 7,161 20,165 1,166 5,167 1,169 4,170 1,171 8,174 10,177 1,178 12,179 1,181 1,183 10,184 1,185 4,188 6,189 12,190 1,191 5,192 2,193 6,195 4,198 1,199 13,202 5,203 2,204 7,205 1,206 8,207 2,210 20,213 3,214 1,215 12,217 13,218 2,220 5,221 17,222 1,223 1,225 9,227 15,228 4,230 1,231 15,234 4,235 1,236 12,237 1,239 20,240 3,243 5367,244 30.325,245 30.325,246 30.325,247 30.325,248 30.325,249 27.689,250 29.169,251 17.87,252 30.697,253 24.737,254 24.737,255 24.737,256 24.737,257 24.737,258 20.649,259 31.914,260 8.577,261 25.306,262 4.977,263 2.839,264 1.557,265 0.874,266 0.748,267 0.748,268 4.557,273 1385,274 6.164,275 130.86,276 534.916,278 242.608,282 2.003,283 76.446,285 0.5,286 0.5,287 0.5,288 0.8,289 1,290 0.33,292 0.52,293 103.5,294 660,295 4.53,296 3.969,297 6.752,298 4.153,299 3.187,300 4.474,301 2.341,302 10.987,303 3.076,304 4.301,305 3.821,306 6.542,307 4.085,308 3.137,309 3.482,310 2.189,311 10.338,312 3.041,313 4.167,314 3.709,315 6.447,316 4.058,317 3.081,318 3.424,319 2.02,320 10.157,321 2.927,322 3.997,323 3.623,324 6.128,325 3.811,326 2.827,327 3.247,328 1.955,329 8.956,330 2.775,331 3.916,332 3.547,333 5.946,334 3.633,335 2.643,336 3.127,337 1.918,338 8.3,339 2.613,340 3.794,341 3.168,342 5.556,343 3.56,344 2.561,345 2.958,346 0.633,347 7.59,348 2.553,349 3.502,350 3.128,351 5.172,352 3.197,353 2.205,354 2.718,355 0.41,356 6.108,357 2.172,358 3.427,359 2.833,360 5.092,361 3.132,362 2.14,363 2.653,364 0.223,365 6.06,366 2.119,367 3.381,368 2.534,369 5.046,370 3.056,371 2.075,372 2.543,373 0.142,374 5.891,375 2.002,376 3.224,377 2.324,378 4.875,379 2.969,380 1.977,381 2.318,382 0.026,383 5.534,384 1.959,385 3.187,386 2.275,387 4.618,388 2.951,389 1.945,390 2.285,392 4.925,393 1.938,394 3.046,395 2.201,396 4.509,397 2.649,398 1.681,399 2.23,401 4.55,402 1.615,403 2.832,404 1.868,405 4.228,406 2.518,407 1.546,408 1.917,410 3.784,411 1.501,412 2.788,413 1.783,414 4.024,415 2.408,416 1.412,417 1.801,419 3.198,420 1.405,421 2.666,422 1.546,423 3.677,424 2.247,425 1.245,426 1.711,428 3.045,429 1.24,430 21.833,431 0.465,432 1.563,433 0.033,434 51.25,435 1.09,436 21.5,437 0.457,438 29.75,439 0.633,440 60.386,441 1.285,442 53.767,443 0.584,444 53.657,445 1.142,446 9.934,447 0.211,448 12.261,449 0.261,450 0.206,451 0.023,452 0.339,454 0.752,455 1.403,456 0.857,457 1.198,458 0.616,459 1.061,460 0.51,461 1.242,462 0.818,463 1.121,464 0.439,465 1.038,466 1.089,467 1.12,468 1.148,469 1.114,470 0.962,471 1.138,472 1.044,473 1.043,474 0.871,475 0.92,476 1.099,477 0.864,478 1.25,479 1.041,480 1.078,481 0.944,482 1.316,483 0.962,484 1.174,485 0.98,486 0.988,487 0.936,488 1.223,489 0.921,490 1.295,491 1.111,492 1.064,493 1.063,494 1.368,495 1.025,496 1.291,497 0.933,498 1.072,499 0.92,500 1.322,501 0.947,502 12.5,503 0.73,504 4.667,505 3.979,506 2.893,507 2.038,508 1.86,509 1.323,510 1.197,511 0.881,512 35337,513 94575,514 1.964,515 48.9,516 7,517 15,518 1,520 5,521 2,522 15,524 1.848,525 1.79,526 3.717,527 2.045,530 142.248,531 1.546,532 3.684,533 4.966,534 5.65,535 5.776,536 5.776,537 3.167,538 5.283,539 5.527,540 3.927,541 4244.73,542 9.872,543 81470.8,546 600.168,547 1.659,548 5.451,549 0.25,550 0.009,551 0.066,552 0.056,553 0.037,554 0.024,555 0.021,556 0.014,557 0.013,558 0.009,559 0.499,560 0.17,561 0.63,562 1.352,563 274.569,564 -0.064,565 -0.098,566 0.024,567 -0.012,568 -0.056,569 0.019,570 0.246,571 -0.061,572 0.104,573 -0.029,574 0.158,575 0.001,576 -0.088,577 -0.034,578 -0.172,579 -0.097,580 -0.121,581 -0.148,582 -0.037,583 -0.057,584 0.131,585 0.034,586 -0.05,587 0.105,588 0.128,589 0.021,590 -0.03,591 -0.008,592 0.149,593 -0.041,594 -0.009,595 0.062,596 0.026,597 0.034,598 0.001,599 0.038,600 -0.106,601 -0.077,602 -0.054,603 -0.069,604 -0.097,605 -0.054,606 -0.067,607 0.057,608 -0.048,609 0.046,610 -0.039,611 0.011,612 2.894,613 7.25,614 0.447,615 57.592,616 1.005,617 1.133,618 1.333,619 1.778,620 0.635,621 3.932,622 4.277,623 4.454,624 4.745,625 4.934,626 5.011,627 5.165,628 5.278,629 5.333,630 5.394,631 8.583,632 0.605,633 647.85,634 3.932,635 5.493,636 6.319,637 7.209,638 8.058,639 8.95,640 9.812,641 10.706,642 11.576,643 12.469,644 5.4,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 92,670 21,671 2,672 50,673 95,674 35,675 14,676 3,677 9,679 4,680 5,684 5,685 2,687 8,688 19,689 16,690 2,691 5,692 5,695 5,699 45,700 11,701 5,702 12,705 5,706 0.75,707 7,710 1,712 1,713 3,715 1,719 2,720 1,721 1,728 1,729 1,731 3,734 5,737 47,739 1,740 5,741 3,742 1,744 5,745 1,746 1,749 7.6,751 1,752 5,754 1,755 26.25,756 17.4,757 10.153,758 5.503,759 2.386,760 1.292,761 0.915,762 12.237,763 10.556,764 4.159,765 4.68,766 5.087,767 5.599,768 6.005,769 6.136,770 6.469,771 6.784,772 6.734,773 6.964,774 1,775 71,776 17.797,777 7.866,778 7.988,779 32.955,780 27.173,781 2.488,782 116.917,785 470.844,786 183.578,787 73.942,789 179.408,792 183.578,793 650.252,794 73.942,795 44.126,796 69.4,797 94.334,798 183.432,799 36.73,800 20.678,801 459.073,803 470.844,804 257.52,805 179.408,807 294.278,808 355.974,810 130.312,811 127.208,814 470.844,815 253.35,816 183.578,817 470.844,818 45.118,819 141.584,820 70.818,821 179.408,822 470.844,823 253.35,824 183.578,825 0.586,826 0.31,827 0.175,828 0.098,829 30,830 17,831 0.147,832 14,833 1,834 1.095,835 5.103,836 500.175,837 0.095,838 21,839 250.311,841 36.128,842 15.92,843 10.386,844 1.746,845 236.564,846 18.801,848 3.176,850 1.726,852 113.501,853 907.772,854 63,855 66.104,858 -3.755,859 92.472,860 104.261,861 0.237,862 0.565,863 0.761,864 0.866,865 0.885,866 0.885,867 5.429,868 2.14,869 6.344,870 6.108,871 4.963,872 5.368,873 3.651,874 7.165,875 4.917,876 6.629,877 2.075,878 7.914,879 6.06,880 4.745,881 5.239,882 3.277,883 8.187,884 4.674,885 7.932,886 1.977,887 9.584,888 5.891,889 6.6,890 7.43,891 4.865,892 11.21,893 6.493,894 9.26,895 1.945,896 11.313,897 5.534,898 7.124,899 8.069,900 5.095,901 13.005,902 6.984,903 10.616,904 1.681,905 13.078,906 4.925,907 8.525,908 9.834,909 6.256,910 15.597,911 8.351,912 11.993,913 1.546,914 14.869,915 4.55,916 9.378,917 10.868,918 6.753,919 17.708,920 9.165,921 13.386,922 1.412,923 16.678,924 3.784,925 10.609,926 12.467,927 7.733,928 20.15,929 10.361,930 3.187,931 1.245,932 18.502,933 3.198,934 11.615,935 13.72,936 8.369,937 22.399,938 11.325,939 3.137,940 10.987,941 20.336,942 3.045,943 12.78,944 15.252,945 9.263,946 24.787,947 12.454,948 3.081,949 10.338,950 22.179,951 4.474,952 13.855,953 16.624,954 9.978,955 27.096,956 13.488,957 2.827,958 10.157,959 24.029,960 3.482,961 14.997,962 18.129,963 10.831,964 29.466,965 14.593,966 2.643,967 8.956,968 25.885,969 3.424,970 16.105,971 19.563,972 11.592,973 31.804,974 15.66,975 2.561,976 8.3,977 27.746,978 3.247,979 17.241,980 21.059,981 12.427,982 34.169,983 16.758,984 2.205,985 7.59,986 29.611,987 3.127,988 18.364,989 22.525,990 13.215,991 36.522,992 17.841,993 34467,994 56608,995 31.728,996 58.438,997 76.703,998 79.453,999 77.352,1000 75.025,1001 74.952,1002 91.903,1003 23.716,1004 217.295,1005 73.421,1006 5.53,1007 5.969,1008 6.554,1009 5.227,1010 5.187,1011 7.474,1012 4.044,1013 18.388,1014 5.076,1015 31.597,1016 1.534,1017 1.589,1018 1.547,1019 1.5,1020 1.499,1021 1.838,1022 0.474,1023 4.346,1024 1.468,1025 4.135,1026 4.17,1027 4.088,1028 4.049,1029 7.475,1030 4.054,1031 3.983,1032 4.025,1033 3.911,1034 3.882,1035 7.439,1036 3.879,1037 3.863,1038 3.901,1039 3.791,1040 3.724,1041 7.43,1042 3.736,1043 3.782,1044 3.825,1045 3.704,1046 3.603,1047 7.426,1048 3.613,1049 3.73,1050 3.779,1051 3.614,1052 3.565,1053 7.421,1054 3.567,1055 3.636,1056 3.693,1057 3.508,1058 3.488,1059 6.351,1060 3.487,1061 3.502,1062 3.533,1063 3.409,1064 3.313,1065 4.971,1066 3.32,1067 3.431,1068 3.489,1069 3.312,1070 3.263,1071 4.754,1072 3.27,1073 0.091,1074 0.079,1075 0.135,1076 0.083,1077 0.064,1078 4.53,1079 0.089,1080 3.969,1081 0.047,1082 6.752,1083 0.22,1084 4.153,1085 0.062,1086 3.187,1087 4.474,1088 2.341,1089 10.987,1090 3.076,1091 1.942,1092 1.919,1093 2.072,1094 2.075,1095 1.35,1096 2.069,1097 1.936,1098 1.904,1099 2.04,1100 2.023,1101 1.298,1102 2.029,1103 1.822,1104 1.777,1105 2.012,1106 1.981,1107 1.237,1108 1.989,1109 1.734,1110 1.686,1111 1.947,1112 1.933,1113 1.119,1114 1.927,1115 1.707,1116 1.657,1117 1.911,1118 1.9,1119 1.118,1120 1.914,1121 1.665,1122 1.612,1123 1.848,1124 1.846,1125 1.041,1126 1.859,1127 1.446,1128 1.403,1129 1.672,1130 1.675,1131 0.93,1132 1.663,1133 1.432,1134 1.376,1135 1.628,1136 1.664,1137 0.813,1138 1.659,1139 4.615,1140 5.953,1141 2.398,1142 7.454,1143 4.727,1144 9.036,1145 6.823,1146 10.666,1147 8.93,1151 9.606,1152 0.241,1153 8.389,1154 5.448,1156 -3.963,1157 1.282,1158 -0.813,1159 55.647,1160 142.248,1161 338.974,1162 456.896,1163 519.764,1164 531.374,1165 531.374,1166 190.976,1167 8.17,1168 169.93,1169 169.93,1170 23,1171 13.001,1172 4.459,1173 3.807,1174 93.692,1175 237,1176 261,1177 0.183,1178 343.745,1179 616.77,1180 830.498,1181 42380,1183 34.302,1184 0.73,1185 0.586,1186 34.302,1187 27.54,1188 22.195,1189 0.444,1190 0.318,1191 15.701,1192 21.308,1193 15.167,1194 12.658,1195 22.195,1196 15.913,1197 21.621,1198 0.305,1199 0.189,1200 21.621,1201 13.453,1202 15.152,1203 0.178,1204 0.092,1205 15.152,1206 7.846,1207 13.317,1208 0.117,1209 0.051,1210 13.317,1211 5.82,1212 10.427,1213 0.076,1214 0.028,1215 10.427,1216 3.898,1217 0.285,1218 139.615,1219 0.178,1220 40.266,1221 0.512,1222 242,1223 741.539,1224 271.119,1225 703.838,1226 925.78,1227 650,1228 277,1229 653.541,1230 302.887,1231 655.936,1232 949.68,1233 614,1234 5.444}
{0 CHEMBL436451,1 1.55,2 13.725,3 2.699,4 7.285,5 149.415,6 7.113,7 0.372,8 4.421,9 4.55,10 3.923,11 3.926,12 5.534,13 3.902,14 4.977,15 5.154,16 4.3,17 4.345,18 6.084,19 4.289,20 5.327,21 5.546,22 4.388,23 4.522,24 6.391,25 4.436,26 5.453,27 5.695,28 4.43,29 4.538,30 6.514,31 4.459,32 5.436,33 5.653,34 4.547,35 4.536,36 6.77,37 4.482,38 5.517,39 5.747,40 4.53,41 4.584,42 6.762,43 4.519,44 5.533,45 5.759,46 4.488,47 4.626,48 6.679,49 4.547,50 5.576,51 5.814,52 4.476,53 4.649,54 6.729,55 4.55,56 0.088,57 1.125,58 16.762,59 6.949,60 21.225,61 9.47,62 0.4,63 1.817,64 31.022,65 11.826,66 68.697,67 16.866,68 0.722,69 2.319,70 47.035,71 15.86,72 117.992,73 22.779,74 0.85,75 2.443,76 55.426,77 16.774,78 141.257,79 24.672,80 1.214,81 2.446,82 53.984,83 16.067,84 231.645,85 23.503,86 1.288,87 2.58,88 59.6,89 17.357,90 232.503,91 25.057,92 1.013,93 2.606,94 60.02,95 18.544,96 189.968,97 26.304,98 0.984,99 2.685,100 62.724,101 19.971,102 206.005,103 28.649,104 73,105 60,106 0.238,107 0.575,108 0.772,109 0.863,110 0.886,111 0.886,112 3.718,113 0.948,114 -2.34,115 -2.37,116 -2.33,117 39,118 2,119 4,120 1,122 1,124 4,132 9,133 3,138 1,139 1,141 4,145 1,146 1,147 1,148 1,149 1,150 16,151 1,152 1,153 2,156 3,158 7,161 17,163 1,165 1,166 5,167 1,168 1,169 4,170 1,171 8,173 1,174 10,176 1,177 1,178 7,179 1,181 1,183 7,184 1,185 4,187 1,188 4,189 10,190 1,191 3,192 2,193 6,194 1,195 4,197 2,198 1,199 11,201 2,202 5,203 2,204 7,205 1,206 5,207 2,208 3,210 13,213 1,214 1,215 9,217 10,218 2,219 3,220 1,221 11,222 1,223 1,225 9,227 12,228 4,229 1,230 1,231 9,233 1,234 4,235 1,236 9,237 1,238 1,239 14,240 3,241 1,242 1,243 3544,244 26.361,245 26.361,246 26.361,247 26.361,248 26.361,249 23.88,250 23.17,251 15.631,252 26.569,253 21.238,254 21.238,255 21.238,256 21.238,257 21.238,258 17.42,259 22.995,260 7.473,261 21.553,262 4.717,263 2.518,264 1.229,265 0.638,266 0.487,267 0.487,268 4.405,273 1170,274 5.196,275 108.108,276 438.805,278 200.577,282 2.039,283 61.793,285 0.5,286 0.33,287 0.5,288 0.8,289 1,290 0.33,292 0.5,293 87.5,294 549,295 4.529,296 3.968,297 6.752,298 4.152,299 3.185,300 4.474,301 2.341,302 10.986,303 3.074,304 4.3,305 3.749,306 6.538,307 4.066,308 3.079,309 3.482,310 2.02,311 10.314,312 3.037,313 3.978,314 3.634,315 6.083,316 3.787,317 2.799,318 3.423,319 1.956,320 8.756,321 2.756,322 3.908,323 3.547,324 5.833,325 3.601,326 2.607,327 3.135,328 1.918,329 7.839,330 2.589,331 3.764,332 3.13,333 5.556,334 3.539,335 2.536,336 2.942,337 0.632,338 7.578,339 2.537,340 3.502,341 2.833,342 5.165,343 3.197,344 2.205,345 2.711,346 0.278,347 6.106,348 2.172,349 3.381,350 2.533,351 5.077,352 3.132,353 2.139,354 2.652,355 0.149,356 6.049,357 2.119,358 3.226,359 2.313,360 5.045,361 2.969,362 1.977,363 2.318,364 0.035,365 5.769,366 1.959,367 3.188,368 2.269,369 4.618,370 2.951,371 1.945,372 2.285,374 4.925,375 1.938,376 3.046,377 2.201,378 4.509,379 2.661,380 1.696,381 2.232,383 4.553,384 1.626,385 2.833,386 1.82,387 4.221,388 2.518,389 1.546,390 1.917,392 3.781,393 1.501,394 2.789,395 1.757,396 3.968,397 2.408,398 1.412,399 1.805,401 3.107,402 1.405,403 2.666,404 1.546,405 3.654,406 2.251,407 1.249,408 1.711,410 3.042,411 1.244,412 2.5,413 1.517,414 3.589,415 2.055,416 1.068,417 1.5,419 2.649,420 1.047,421 2.429,422 1.258,423 3.527,424 2,425 1,426 1.345,428 2.136,429 1,430 18.667,431 0.467,432 1.141,433 0.029,434 45.25,435 1.131,436 20,437 0.5,438 25.25,439 0.631,440 45.085,441 1.127,442 44.933,443 0.584,444 43.097,445 1.077,446 8.879,447 0.222,448 10.238,449 0.256,450 0.164,452 0.37,454 0.774,455 1.299,456 0.859,457 1.094,458 0.651,459 0.996,460 0.527,461 1.284,462 0.878,463 1.155,464 0.483,465 1.085,466 0.912,467 1.08,468 1.052,469 1.088,470 0.92,471 1.091,472 1.155,473 1.019,474 0.98,475 0.936,476 1.172,477 0.923,478 1.015,479 1.131,480 0.974,481 1.043,482 1.031,483 1.002,484 1.273,485 0.935,486 1.058,487 0.919,488 1.284,489 0.941,490 1.376,491 0.996,492 1.12,493 0.983,494 1.438,495 1.003,496 1.161,497 1.037,498 1.057,499 1.043,500 1.21,501 1.035,502 9,503 0.399,504 4.222,505 3.104,506 2.573,507 1.761,508 1.412,509 0.913,510 0.78,511 0.496,512 24556,513 64977,514 2.007,515 48.1,516 7,517 15,518 1,520 6,521 2,522 6,524 1.806,525 1.846,526 3.698,527 2.934,530 119.367,531 1.55,532 3.749,533 5.037,534 5.629,535 5.78,536 5.78,537 3.204,538 4.922,539 5.292,540 3.891,541 3034.8,542 9.38,543 52080.3,546 482.543,547 1.513,548 5.234,549 0.209,550 0.007,551 0.07,552 0.05,553 0.04,554 0.025,555 0.02,556 0.014,557 0.012,558 0.008,559 0.456,560 0.17,561 0.75,562 1.03,563 224.222,564 -0.089,565 -0.016,566 0.013,567 0.051,568 -0.066,569 0.053,570 0.162,571 -0.103,572 0.024,573 -0.069,574 0.103,575 -0.053,576 -0.001,577 -0.009,578 -0.09,579 -0.082,580 -0.061,581 -0.102,582 -0.082,583 -0.026,584 0.025,585 0.023,586 -0.099,587 0.042,588 0.19,589 -0.097,590 0.04,591 -0.084,592 0.196,593 -0.053,594 -0.003,595 0.071,596 -0.027,597 0.02,598 0.014,599 -0.003,600 -0.163,601 -0.007,602 -0.105,603 -0.012,604 -0.14,605 -0.042,606 -0.068,607 -0.073,608 -0.055,609 -0.063,610 -0.049,611 -0.056,612 2.857,613 6.912,614 0.525,615 47.93,616 1.004,617 1.132,618 1.105,619 1.222,620 0.643,621 3.784,622 4.111,623 4.344,624 4.615,625 4.828,626 4.868,627 4.984,628 5.069,629 5.075,630 5.118,631 8.104,632 0.612,633 547.72,634 3.784,635 5.333,636 6.172,637 7.052,638 7.915,639 8.799,640 9.673,641 10.559,642 11.438,643 12.327,644 6.5,645 1,649 3,650 1,653 2,654 10,656 1,658 2,660 16,669 77,670 20,671 2,672 43,673 80,674 30,675 14,676 3,677 9,679 4,680 5,684 2,685 2,687 8,688 18,689 12,690 1,691 4,692 4,695 4,699 37,700 9,701 6,702 10,705 5,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,721 1,725 1,729 1,731 3,734 2,737 40,738 1,739 1,740 5,741 2,744 5,745 1,749 6.5,751 1,752 4,755 21.667,756 13.65,757 8.778,758 4.593,759 2.502,760 1.314,761 0.938,762 9.878,763 10.473,764 4.025,765 4.551,766 5.016,767 5.522,768 5.952,769 6.068,770 6.372,771 6.661,772 6.515,773 6.714,774 1,775 62,776 15.098,777 6.7,778 7.975,779 28.119,780 23.486,781 2.475,782 99,785 364.904,786 150.34,787 88.829,789 143.263,792 150.34,793 508.167,794 88.829,795 17.65,796 84.287,797 94.334,798 158.287,799 25.73,800 13.915,801 353.133,803 364.904,804 239.168,805 143.263,807 294.278,808 213.89,810 118.723,811 120.446,814 364.904,815 232.092,816 150.34,817 364.904,818 38.356,819 115.108,820 52.807,821 176.16,822 364.904,823 232.092,824 150.34,825 0.582,826 0.326,827 0.181,828 0.106,829 26,830 14,831 0.138,832 11,833 1,834 1.095,835 4.751,836 397.085,837 0.095,838 21,839 204.122,841 29.628,842 13.337,843 7.654,844 1.914,845 215.306,846 19.081,848 3.173,850 1.87,852 128.388,853 747.336,854 55,855 51.768,858 -2.68,859 77.283,860 87.182,861 0.247,862 0.598,863 0.804,864 0.898,865 0.922,866 0.922,867 5.278,868 1.977,869 6.168,870 6.049,871 4.796,872 5.239,873 3.4,874 6.974,875 4.765,876 6.463,877 1.945,878 7.727,879 5.769,880 4.443,881 5.027,882 3.071,883 7.865,884 4.402,885 7.754,886 1.696,887 9.386,888 4.925,889 6.385,890 7.316,891 4.583,892 10.974,893 6.316,894 9.072,895 1.546,896 11.102,897 4.553,898 6.815,899 7.928,900 4.852,901 12.693,902 6.73,903 10.423,904 1.412,905 12.857,906 3.781,907 8.26,908 9.746,909 5.957,910 15.33,911 8.147,912 11.797,913 1.249,914 14.639,915 3.107,916 9.054,917 10.781,918 6.49,919 17.409,920 8.919,921 13.189,922 1.068,923 16.441,924 3.042,925 10.302,926 12.409,927 7.429,928 19.876,929 10.139,930 3.185,931 1,932 18.259,933 2.649,934 11.273,935 13.67,936 8.097,937 22.116,938 11.083,939 3.079,940 10.986,941 20.089,942 2.136,943 12.442,944 15.216,945 8.963,946 24.522,947 12.225,948 2.799,949 10.314,950 21.929,951 4.474,952 13.498,953 16.596,954 9.704,955 26.834,956 13.251,957 2.607,958 8.756,959 23.778,960 3.482,961 14.638,962 18.109,963 10.542,964 29.218,965 14.363,966 2.536,967 7.839,968 25.634,969 3.423,970 15.734,971 19.548,972 11.324,973 31.565,974 15.428,975 2.205,976 7.578,977 27.495,978 3.135,979 16.867,980 21.048,981 12.153,982 33.943,983 16.532,984 2.139,985 6.106,986 29.362,987 2.942,988 17.984,989 22.517,990 12.959,991 36.306,992 17.617,993 23612,994 38582,995 27.857,996 49.483,997 65.695,998 67.641,999 66.762,1000 64.371,1001 64.34,1002 80.239,1003 18.659,1004 183.788,1005 63.429,1006 5.529,1007 5.968,1008 6.554,1009 5.22,1010 5.185,1011 7.474,1012 3.925,1013 18.385,1014 5.074,1015 23.991,1016 1.528,1017 1.573,1018 1.553,1019 1.497,1020 1.496,1021 1.866,1022 0.434,1023 4.274,1024 1.475,1025 4.132,1026 4.167,1027 4.086,1028 4.048,1029 7.475,1030 4.053,1031 3.981,1032 4.023,1033 3.909,1034 3.881,1035 7.435,1036 3.878,1037 3.861,1038 3.899,1039 3.788,1040 3.721,1041 7.426,1042 3.734,1043 3.759,1044 3.811,1045 3.666,1046 3.599,1047 7.422,1048 3.603,1049 3.638,1050 3.696,1051 3.514,1052 3.486,1053 6.351,1054 3.487,1055 3.502,1056 3.533,1057 3.409,1058 3.313,1059 5.014,1060 3.32,1061 3.43,1062 3.488,1063 3.312,1064 3.261,1065 4.934,1066 3.269,1067 3.347,1068 3.407,1069 3.248,1070 3.145,1071 4.753,1072 3.161,1073 0.105,1074 0.092,1075 0.157,1076 0.097,1077 0.074,1078 4.529,1079 0.104,1080 3.968,1081 0.054,1082 6.752,1083 0.255,1084 4.152,1085 0.071,1086 3.185,1087 4.474,1088 2.341,1089 10.986,1090 3.074,1091 1.942,1092 1.918,1093 2.072,1094 2.074,1095 1.349,1096 2.069,1097 1.936,1098 1.904,1099 2.04,1100 2.021,1101 1.297,1102 2.029,1103 1.821,1104 1.776,1105 2.012,1106 1.979,1107 1.226,1108 1.989,1109 1.731,1110 1.68,1111 1.911,1112 1.916,1113 1.119,1114 1.919,1115 1.675,1116 1.622,1117 1.853,1118 1.86,1119 1.024,1120 1.868,1121 1.446,1122 1.403,1123 1.672,1124 1.674,1125 0.93,1126 1.662,1127 1.429,1128 1.371,1129 1.628,1130 1.663,1131 0.813,1132 1.658,1133 1.29,1134 1.231,1135 1.509,1136 1.55,1137 0.56,1138 1.543,1139 4.466,1140 5.79,1141 2.398,1142 7.291,1143 4.727,1144 8.878,1145 6.823,1146 10.516,1147 3.85,1150 6.288,1151 9.477,1152 0.658,1153 5.691,1156 -3.407,1157 1.319,1159 47.11,1160 119.367,1161 288.681,1162 387.874,1163 433.423,1164 445.033,1165 445.033,1166 137.652,1167 7.972,1168 157.62,1169 157.62,1170 23,1171 12.859,1172 4.392,1173 3.7,1174 72.787,1175 189,1176 206,1177 0.178,1178 290.718,1179 515.33,1180 701.113,1181 35029,1183 28.811,1184 0.72,1185 0.57,1186 28.811,1187 22.801,1188 19.117,1189 0.445,1190 0.316,1191 13.432,1192 18.458,1193 13.098,1194 10.87,1195 19.117,1196 13.595,1197 17.732,1198 0.296,1199 0.181,1200 17.732,1201 10.86,1202 13.722,1203 0.181,1204 0.095,1205 13.722,1206 7.192,1207 11.472,1208 0.115,1209 0.053,1210 11.472,1211 5.277,1212 9.467,1213 0.076,1214 0.029,1215 9.467,1216 3.624,1217 0.279,1218 119.686,1219 0.189,1220 35.724,1221 0.493,1222 206,1223 603.048,1224 226.674,1225 579.742,1226 765.34,1227 536,1228 239,1229 538.294,1230 258.905,1231 542.806,1232 788.81,1233 511,1234 4.292}
{0 CHEMBL441840,1 1.508,2 14.023,3 4.562,4 20.811,5 163.832,6 6.858,7 0.348,8 4.52,9 4.652,10 3.998,11 4.015,12 5.577,13 3.983,14 5.095,15 5.284,16 4.387,17 4.424,18 6.147,19 4.366,20 5.42,21 5.632,22 4.422,23 4.601,24 6.43,25 4.506,26 5.557,27 5.821,28 4.474,29 4.598,30 6.558,31 4.507,32 5.485,33 5.698,34 4.552,35 4.566,36 6.783,37 4.515,38 5.541,39 5.774,40 4.602,41 4.659,42 6.637,43 4.595,44 5.618,45 5.826,46 4.655,47 4.735,48 6.782,49 4.672,50 5.725,51 5.971,52 4.646,53 4.773,54 6.888,55 4.685,56 0.042,57 1.238,58 19.411,59 7.909,60 13.687,61 11.042,62 0.517,63 1.981,64 36.613,65 13.214,66 59.099,67 19.188,68 0.782,69 2.489,70 52.558,71 17.567,72 97.437,73 25.154,74 0.68,75 2.628,76 61.985,77 18.65,78 119.322,79 28.163,80 1.427,81 2.534,82 58.196,83 15.814,84 234.634,85 23.511,86 0.892,87 2.705,88 60.484,89 18.562,90 133.989,91 27.117,92 0.868,93 2.883,94 65.098,95 20.047,96 155.701,97 28.613,98 1.45,99 3.055,100 74.199,101 21.997,102 240.468,103 32.316,104 92,105 65,106 0.226,107 0.536,108 0.733,109 0.828,110 0.845,111 0.845,112 3.788,113 0.968,114 -2.9,115 -2.91,116 -2.81,117 38.4,118 5,119 3,120 1,122 2,124 3,126 1,132 9,133 3,138 1,139 1,141 3,142 1,150 16,152 2,153 3,156 4,158 6,161 20,165 1,166 4,169 4,170 1,171 7,174 10,178 11,183 10,185 4,188 5,189 12,191 3,192 1,193 5,195 2,199 13,202 4,203 2,204 7,206 6,210 17,213 2,215 10,217 9,220 5,221 15,223 1,225 6,227 12,231 11,234 3,235 1,236 8,239 18,243 4253,244 27.911,245 27.911,246 27.911,247 27.911,248 27.911,249 25.458,250 26.486,251 16.486,252 28.275,253 22.775,254 22.775,255 22.775,256 22.775,257 22.775,258 18.971,259 29.234,260 7.938,261 23.331,262 4.919,263 2.858,264 1.547,265 0.912,266 0.8,267 0.8,268 4.473,272 1,273 1275,274 5.788,275 119.227,276 483.642,278 220.997,282 2.118,283 57.687,285 0.75,286 0.5,287 0.67,288 0.9,289 1,290 0.67,291 0.5,292 0.71,293 93.5,294 603,295 4.53,296 3.9,297 6.543,298 4.091,299 3.139,300 4.474,301 2.189,302 10.341,303 3.05,304 4.19,305 3.802,306 6.449,307 4.059,308 3.087,309 3.462,310 2.02,311 10.157,312 2.946,313 4.158,314 3.664,315 6.437,316 4.006,317 3.034,318 3.343,319 1.955,320 9.905,321 2.924,322 3.966,323 3.564,324 6.044,325 3.762,326 2.782,327 3.231,328 1.918,329 8.707,330 2.72,331 3.901,332 3.168,333 5.685,334 3.632,335 2.641,336 3.083,337 0.633,338 7.937,339 2.612,340 3.693,341 3.128,342 5.359,343 3.427,344 2.435,345 2.855,346 0.41,347 6.951,348 2.411,349 3.427,350 2.832,351 5.113,352 3.133,353 2.14,354 2.716,355 0.223,356 5.985,357 2.121,358 3.381,359 2.47,360 5.023,361 3.056,362 2.075,363 2.543,364 0.142,365 5.868,366 2.002,367 3.223,368 2.318,369 4.87,370 2.969,371 1.977,372 2.318,373 0.026,374 5.529,375 1.959,376 3.144,377 2.275,378 4.711,379 2.913,380 1.902,381 2.261,383 5.186,384 1.911,385 3.046,386 2.001,387 4.475,388 2.623,389 1.664,390 2.216,392 4.499,393 1.587,394 2.831,395 1.866,396 4.216,397 2.518,398 1.546,399 1.907,401 3.775,402 1.501,403 2.719,404 1.775,405 3.97,406 2.392,407 1.396,408 1.761,410 3.124,411 1.389,412 2.633,413 1.546,414 3.589,415 2.23,416 1.23,417 1.657,419 3.013,420 1.224,421 2.5,422 1.498,423 3.58,424 2.029,425 1.045,426 1.5,428 2.653,429 1.019,430 20.167,431 0.469,432 1.384,433 0.032,434 47.25,435 1.099,436 20,437 0.465,438 27.25,439 0.634,440 52.662,441 1.225,442 48.833,443 0.568,444 45.406,445 1.056,446 9.077,447 0.211,448 11.297,449 0.263,450 0.19,451 0.025,452 0.317,454 0.736,455 1.419,456 0.875,457 1.205,458 0.575,459 1.074,460 0.574,461 1.203,462 0.847,463 1.088,464 0.479,465 1.018,466 1.149,467 1.116,468 1.177,469 1.138,470 1.008,471 1.162,472 1.121,473 1.025,474 0.864,475 0.902,476 1.189,477 0.846,478 1.455,479 1.035,480 1.148,481 0.935,482 1.543,483 0.975,484 1.213,485 0.966,486 0.946,487 0.92,488 1.305,489 0.889,490 1.527,491 1.163,492 1.142,493 1.105,494 1.639,495 1.068,496 1.288,497 0.877,498 1.01,499 0.856,500 1.314,501 0.88,502 11.5,503 0.646,504 4,505 3.667,506 2.102,507 1.754,508 1.454,509 1.104,510 0.962,511 0.716,512 29413,513 72092,514 1.987,515 50,516 7,517 16,518 1,520 4,522 15,524 1.825,525 1.823,526 3.699,527 1.372,530 129.645,531 1.508,532 3.569,533 4.88,534 5.515,535 5.626,536 5.626,537 3.179,538 5.083,539 5.398,540 3.93,541 3548.83,542 9.6,543 64790.8,546 552.659,547 1.634,548 5.33,549 0.25,550 0.009,551 0.062,552 0.058,553 0.031,554 0.025,555 0.019,556 0.014,557 0.012,558 0.009,559 0.49,560 0.17,561 0.75,562 1.263,563 246.357,564 -0.043,565 -0.118,566 0.037,567 -0.031,568 -0.047,569 0.01,570 0.242,571 -0.032,572 0.102,573 -0.012,574 0.126,575 0.015,576 -0.06,577 -0.04,578 -0.185,579 -0.123,580 -0.11,581 -0.172,582 -0.054,583 -0.063,584 0.144,585 0.047,586 -0.043,587 0.118,588 0.069,589 0.026,590 -0.083,591 -0.006,592 0.099,593 -0.058,594 -0.014,595 0.066,596 0.074,597 0.047,598 -0.029,599 0.071,600 -0.151,601 -0.127,602 -0.108,603 -0.118,604 -0.114,605 -0.107,606 0.013,607 0.093,608 0.026,609 0.089,610 0.055,611 0.067,612 2.393,613 6.851,614 0.488,615 51.77,616 0.999,617 1.133,618 1.669,619 2.785,620 0.637,621 3.85,622 4.19,623 4.357,624 4.635,625 4.796,626 4.868,627 4.99,628 5.112,629 5.142,630 5.226,631 8.462,632 0.601,633 589.81,634 3.85,635 5.407,636 6.229,637 7.112,638 7.953,639 8.839,640 9.689,641 10.575,642 11.432,643 12.318,644 5.8,649 4,650 1,653 2,654 10,656 1,658 2,660 16,669 86,670 20,671 2,672 46,673 89,674 33,675 14,676 3,677 9,679 4,680 5,684 5,685 1,687 6,688 18,689 15,690 2,691 4,692 4,695 4,699 43,700 9,701 4,702 10,705 5,706 0.75,707 5,710 1,712 1,713 3,715 1,719 2,720 1,728 1,731 3,734 5,737 43,740 5,741 3,742 1,744 4,745 1,746 1,749 5.8,752 4,754 1,755 23.583,756 16.45,757 9.264,758 5.194,759 2.466,760 1.308,761 0.933,762 10.915,763 10.467,764 4.078,765 4.603,766 5.023,767 5.538,768 5.939,769 6.076,770 6.409,771 6.731,772 6.643,773 6.877,774 1,775 63,776 16.187,777 7.015,778 7.847,779 30.528,780 25.151,781 2.347,782 100.917,785 459.073,786 182.239,787 73.942,789 111.58,792 182.239,793 570.653,794 73.942,795 44.126,796 68.972,797 94.334,798 114.694,799 36.73,800 20.678,801 447.302,803 459.073,804 256.181,805 111.58,807 282.506,808 288.146,810 129.883,811 126.298,814 459.073,815 185.522,816 182.239,817 459.073,818 43.78,819 141.584,820 70.818,821 111.58,822 459.073,823 185.522,824 182.239,825 0.586,826 0.309,827 0.172,828 0.093,829 28,830 15,831 0.135,832 12,833 1,834 1.095,835 4.952,836 435.285,837 0.095,838 21,839 222.574,841 32.561,842 14.415,843 9.571,844 1.847,845 168.736,846 19.31,848 3.203,850 1.9,852 70.818,853 826.834,854 58,855 53.074,858 -1.787,859 85.934,860 97.427,861 0.235,862 0.555,863 0.759,864 0.858,865 0.876,866 0.876,867 5.342,868 2.075,869 6.248,870 5.985,871 4.875,872 5.291,873 3.4,874 7.054,875 4.827,876 6.54,877 1.977,878 7.808,879 5.868,880 4.635,881 5.139,882 2.895,883 8.048,884 4.564,885 7.84,886 1.902,887 9.466,888 5.529,889 6.503,890 7.364,891 4.533,892 11.046,893 6.392,894 9.165,895 1.664,896 11.182,897 5.186,898 7.004,899 7.991,900 4.636,901 12.805,902 6.863,903 10.519,904 1.546,905 12.934,906 4.499,907 8.412,908 9.781,909 5.831,910 15.366,911 8.234,912 11.894,913 1.396,914 14.71,915 3.775,916 9.244,917 10.813,918 6.207,919 17.439,920 9.029,921 13.285,922 1.23,923 16.505,924 3.124,925 10.474,926 12.427,927 7.201,928 19.844,929 10.224,930 3.139,931 1.045,932 18.312,933 3.013,934 11.461,935 13.684,936 7.725,937 22.052,938 11.171,939 3.087,940 10.341,941 20.13,942 2.653,943 12.619,944 15.224,945 8.613,946 24.399,947 12.294,948 3.034,949 10.157,950 21.957,951 4.474,952 13.677,953 16.6,954 9.225,955 26.665,956 13.312,957 2.782,958 9.905,959 23.79,960 3.462,961 14.809,962 18.11,963 10.054,964 28.991,965 14.408,966 2.641,967 8.707,968 25.628,969 3.343,970 15.9,971 19.548,972 10.72,973 31.284,974 15.46,975 2.435,976 7.937,977 27.471,978 3.231,979 17.023,980 21.047,981 11.517,982 33.604,983 16.546,984 2.14,985 6.951,986 29.317,987 3.083,988 18.13,989 22.515,990 12.217,991 35.909,992 17.616,993 28459,994 44748,995 29.531,996 54.768,997 70.288,998 72.804,999 70.5,1000 68.679,1001 68.636,1002 84.506,1003 19.034,1004 197.531,1005 67.176,1006 5.53,1007 5.9,1008 6.345,1009 5.164,1010 5.139,1011 7.474,1012 3.892,1013 17.312,1014 5.05,1015 27.028,1016 1.528,1017 1.583,1018 1.533,1019 1.493,1020 1.492,1021 1.837,1022 0.414,1023 4.294,1024 1.46,1025 4.134,1026 4.169,1027 4.087,1028 4.049,1029 7.44,1030 4.054,1031 3.969,1032 4.013,1033 3.892,1034 3.878,1035 7.431,1036 3.873,1037 3.854,1038 3.896,1039 3.779,1040 3.704,1041 7.426,1042 3.714,1043 3.766,1044 3.81,1045 3.685,1046 3.572,1047 7.421,1048 3.586,1049 3.717,1050 3.771,1051 3.599,1052 3.554,1053 4.971,1054 3.554,1055 3.636,1056 3.693,1057 3.506,1058 3.488,1059 4.754,1060 3.487,1061 3.431,1062 3.49,1063 3.312,1064 3.264,1065 4.568,1066 3.271,1067 3.372,1068 3.43,1069 3.271,1070 3.178,1071 4.317,1072 3.191,1073 0.098,1074 0.085,1075 0.142,1076 0.089,1077 0.068,1078 4.53,1079 0.097,1080 3.9,1081 0.048,1082 6.543,1083 0.225,1084 4.091,1085 0.066,1086 3.139,1087 4.474,1088 2.189,1089 10.341,1090 3.05,1091 1.942,1092 1.919,1093 2.07,1094 2.064,1095 1.337,1096 2.063,1097 1.934,1098 1.901,1099 2.04,1100 2.023,1101 1.294,1102 2.029,1103 1.81,1104 1.762,1105 2.012,1106 1.979,1107 1.237,1108 1.987,1109 1.714,1110 1.667,1111 1.947,1112 1.925,1113 1.118,1114 1.923,1115 1.693,1116 1.636,1117 1.885,1118 1.886,1119 1.051,1120 1.896,1121 1.665,1122 1.612,1123 1.847,1124 1.846,1125 1.04,1126 1.859,1127 1.432,1128 1.376,1129 1.632,1130 1.67,1131 0.829,1132 1.66,1133 1.323,1134 1.267,1135 1.525,1136 1.577,1137 0.731,1138 1.562,1139 4.533,1140 5.866,1141 2.398,1142 7.362,1143 4.727,1144 8.934,1145 6.823,1146 10.548,1147 9.182,1152 1.397,1153 8.613,1154 5.452,1156 -2.043,1157 1.524,1158 -0.757,1159 51.69,1160 129.645,1161 306.909,1162 419.652,1163 474.255,1164 483.865,1165 483.865,1166 144.566,1167 8.001,1168 132.63,1169 132.63,1170 23,1171 12.856,1172 4.392,1173 3.7,1174 81.459,1175 215,1176 242,1177 0.176,1178 319.495,1179 567.23,1180 771.329,1181 35556,1183 31.148,1184 0.724,1185 0.596,1186 31.148,1187 25.607,1188 20.374,1189 0.443,1190 0.323,1191 14.662,1192 19.627,1193 14.12,1194 11.825,1195 20.374,1196 14.846,1197 19.787,1198 0.304,1199 0.194,1200 19.787,1201 12.626,1202 13.962,1203 0.181,1204 0.094,1205 13.962,1206 7.205,1207 12.25,1208 0.12,1209 0.053,1210 12.25,1211 5.37,1212 9.255,1213 0.077,1214 0.029,1215 9.255,1216 3.484,1217 0.276,1218 127.569,1219 0.184,1220 37.808,1221 0.487,1222 222,1223 635.654,1224 246.357,1225 608.063,1226 809.66,1227 564,1228 253,1229 579.522,1230 275.398,1231 584.963,1232 845.81,1233 547,1234 5.26}
{0 CHEMBL442,1 1.552,2 13.302,3 3.124,4 9.761,5 160.241,6 7.458,7 0.32,8 4.484,9 4.598,10 4.063,11 4.02,12 5.523,13 4.01,14 5.102,15 5.26,16 4.555,17 4.504,18 6.143,19 4.482,20 5.453,21 5.636,22 4.705,23 4.72,24 6.514,25 4.677,26 5.599,27 5.796,28 4.747,29 4.768,30 6.739,31 4.721,32 5.614,33 5.816,34 4.689,35 4.742,36 6.833,37 4.683,38 5.587,39 5.811,40 4.631,41 4.711,42 6.691,43 4.64,44 5.577,45 5.807,46 4.545,47 4.645,48 6.688,49 4.576,50 5.443,51 5.658,52 4.457,53 4.573,54 6.566,55 4.492,56 0.071,57 1.183,58 16.238,59 7.232,60 16.947,61 9.328,62 0.604,63 2.078,64 33.207,65 12.653,66 48.762,67 17.154,68 0.885,69 2.727,70 50.402,71 18.039,72 92.457,73 23.988,74 1.115,75 2.974,76 60.916,77 20.607,78 158.012,79 27.261,80 1.503,81 2.953,82 63.39,83 20.742,84 231.883,85 27.36,86 0.95,87 2.929,88 61.377,89 20.363,90 143.441,91 28.104,92 1.169,93 2.772,94 62.991,95 19.736,96 161.313,97 26.522,98 0.903,99 2.454,100 53.293,101 18.731,102 145.124,103 25.001,104 37,105 79,106 0.235,107 0.605,108 0.804,109 0.876,110 0.895,111 0.895,112 3.788,113 0.907,114 -3.71,115 -3.68,116 -3.5,117 42.3,118 1,119 4,120 1,121 1,122 2,124 3,127 1,128 1,129 1,130 1,132 8,133 4,138 1,139 1,141 3,150 17,152 3,153 8,156 4,158 5,161 19,165 4,166 11,169 3,171 5,174 16,177 2,178 15,181 2,182 1,183 6,185 11,188 5,189 15,191 3,193 5,195 9,198 1,199 19,202 2,204 9,206 6,209 3,210 14,215 7,217 9,220 1,221 12,223 2,224 1,225 5,227 13,230 1,231 14,236 2,239 11,243 3567,244 29.004,245 29.004,246 29.004,247 29.004,248 29.004,249 26.631,250 32.275,251 16.233,252 29.394,253 24.661,254 24.661,255 24.661,256 24.661,257 24.661,258 20.867,259 38.018,260 7.684,261 25.302,262 4.733,263 2.293,264 0.978,265 0.507,266 0.378,267 0.378,268 4.514,272 1,273 1319,274 4.301,275 237.802,276 458.773,278 557.483,279 283.399,280 166.131,281 191.998,282 1.937,283 62.62,285 0.75,286 0.5,287 0.83,288 0.7,289 0.5,290 0.83,291 1,292 0.73,293 93.5,294 572,295 4.879,296 4.459,297 8.108,298 4.791,299 3.839,300 4.634,301 2.23,302 15.813,303 3.651,304 4.718,305 3.922,306 7.335,307 4.34,308 3.352,309 3.965,310 1.989,311 12.585,312 3.313,313 4.315,314 3.742,315 7.022,316 4.191,317 3.236,318 3.54,319 1.972,320 12.05,321 3.086,322 4.165,323 3.551,324 6.462,325 3.884,326 2.908,327 3.471,328 1.465,329 9.882,330 2.842,331 3.955,332 3.48,333 6.431,334 3.75,335 2.755,336 3.366,337 0.935,338 9.738,339 2.737,340 3.807,341 3.026,342 6.309,343 3.558,344 2.589,345 3.003,346 0.916,347 9.069,348 2.518,349 3.735,350 2.941,351 5.944,352 3.471,353 2.482,354 2.905,355 0.584,356 8.211,357 2.449,358 3.547,359 2.744,360 5.636,361 3.3,362 2.332,363 2.82,364 0.274,365 7.296,366 2.237,367 3.45,368 2.552,369 5.367,370 3.255,371 2.278,372 2.557,373 0.172,374 6.896,375 2.226,376 3.305,377 2.45,378 5.114,379 2.922,380 1.949,381 2.457,382 0.137,383 5.884,384 1.889,385 2.941,386 2.209,387 5.098,388 2.622,389 1.619,390 2.063,392 4.998,393 1.605,394 2.91,395 2.069,396 4.636,397 2.483,398 1.48,399 1.991,401 4.405,402 1.483,403 2.865,404 1.975,405 4.446,406 2.441,407 1.475,408 1.859,410 3.703,411 1.421,412 2.668,413 1.643,414 4.312,415 2.33,416 1.328,417 1.726,419 3.331,420 1.322,421 2.519,422 1.522,423 3.911,424 2.18,425 1.183,426 1.5,428 2.881,429 1.176,430 20.167,431 0.469,432 1.426,433 0.033,434 49.75,435 1.157,436 20,437 0.465,438 29.75,439 0.692,440 51.375,441 1.195,442 46.433,443 0.595,444 47.305,445 1.1,446 9.432,447 0.219,448 11.244,449 0.261,450 0.116,451 0.05,452 0.382,454 0.771,455 1.345,456 0.763,457 1.073,458 0.625,459 0.936,460 0.645,461 1.123,462 0.792,463 0.965,464 0.527,465 0.904,466 1.046,467 1.058,468 0.998,469 1.035,470 0.932,471 1.008,472 1.283,473 1.071,474 1.042,475 1.035,476 1.353,477 1.002,478 1.358,479 1.008,480 1.128,481 0.99,482 1.349,483 1.019,484 1.112,485 1.084,486 1.014,487 1.042,488 1.107,489 1.01,490 1.482,491 0.873,492 1.101,493 0.89,494 1.621,495 0.92,496 1.186,497 1.053,498 1.052,499 1.079,500 1.192,501 1.059,502 10,503 0.416,504 6.889,505 5.389,506 4.712,507 2.532,508 1.609,509 1.149,510 0.71,511 0.554,512 32205,513 74438,514 2.18,515 44.9,517 19,518 1,520 3,521 1,522 8,523 3,524 1.82,525 2.016,526 3.67,527 0.71,530 121.052,531 1.552,532 3.993,533 5.308,534 5.779,535 5.907,536 5.907,537 3.11,538 5.037,539 5.401,540 3.863,541 3487.88,542 9.574,543 59272.8,546 490.261,547 1.654,548 5.343,549 0.2,550 0.007,551 0.087,552 0.061,553 0.053,554 0.031,555 0.021,556 0.016,557 0.011,558 0.01,559 0.497,560 0.33,561 0.75,562 0.523,563 242.746,564 -0.058,565 -0.141,566 0.062,567 -0.005,568 -0.063,569 0.04,570 0.214,571 0.038,572 0.104,573 0.042,574 0.065,575 0.051,576 0.03,577 0.013,578 -0.04,579 -0.048,580 -0.027,581 -0.055,582 -0.028,583 -0.063,584 -0.039,585 -0.061,586 -0.035,587 -0.052,588 0.004,589 -0.022,590 -0.102,591 -0.027,592 0.065,593 -0.077,594 -0.026,595 -0.091,596 -0.009,597 -0.077,598 0.02,599 -0.043,600 -0.166,601 0.087,602 -0.053,603 0.057,604 -0.138,605 0.03,606 -0.018,607 -0.104,608 -0.044,609 -0.086,610 0.006,611 -0.077,612 3.292,613 7.173,614 0.791,615 46.369,616 1.005,617 1.125,618 2.481,619 6.154,620 0.663,621 3.932,622 4.382,623 4.779,624 5.176,625 5.493,626 5.697,627 5.94,628 6.155,629 6.282,630 6.405,631 7.892,632 0.636,633 581.73,634 3.932,635 5.557,636 6.482,637 7.439,638 8.384,639 9.347,640 10.301,641 11.268,642 12.228,643 13.197,644 6.4,647 1,649 3,650 1,653 2,654 9,656 1,658 3,660 16,669 78,670 20,671 2,672 50,673 85,674 33,675 14,676 4,677 8,678 2,679 8,680 19,684 1,685 7,686 1,687 8,688 19,689 14,690 1,691 4,692 3,693 1,695 4,699 35,700 9,701 3,702 10,705 5,706 0.375,707 5,710 1,711 1,712 3,713 5,715 4,716 2,717 1,718 1,719 1,720 2,723 1,724 1,727 1,729 1,730 1,731 3,734 2,737 43,739 1,740 6,741 1,742 1,744 4,745 3,746 2,749 6.4,750 1,752 3,753 1,755 21.333,756 14.383,757 8.875,758 4.869,759 3.242,760 1.316,761 0.988,762 6.073,763 13.496,764 4.143,765 4.751,766 5.341,767 5.922,768 6.424,769 6.74,770 7.177,771 7.591,772 7.842,773 8.156,774 0.889,775 88,776 16.377,777 7.858,778 7.764,779 31.071,780 28.25,781 2.264,782 97.333,785 376.675,786 157.478,787 44.169,789 129.118,792 157.478,793 505.793,794 44.169,795 17.222,796 38.609,797 137.017,798 100.549,799 35.225,800 13.915,801 364.904,803 376.675,804 201.647,805 129.118,807 247.193,808 204.917,809 53.683,810 67.344,811 124.827,812 9.476,814 376.675,815 173.287,816 157.478,817 376.675,818 45.923,819 120.928,820 34.796,821 129.118,822 376.675,823 173.287,824 157.478,825 0.61,826 0.38,827 0.22,828 0.124,829 46,830 20,831 0.047,832 4,833 6,834 1.324,835 4.91,836 518.236,837 0.353,838 33,839 229.329,841 27.24,842 9.586,843 3.956,844 2.263,845 156.502,846 17.692,848 3.367,850 3.25,852 77.48,853 707.441,854 62,855 41.813,856 2.024,858 -0.081,859 78.4,860 87.767,861 0.247,862 0.635,863 0.844,864 0.919,865 0.94,866 0.94,867 5.485,868 2.332,869 6.547,870 8.211,871 5.069,872 5.44,873 3.406,874 7.532,875 5.017,876 6.719,877 2.278,878 8.219,879 7.296,880 4.977,881 5.394,882 2.838,883 8.916,884 4.884,885 8.076,886 1.949,887 10.004,888 6.896,889 6.874,890 7.604,891 4.436,892 12.096,893 6.754,894 9.466,895 1.619,896 11.859,897 5.884,898 7.601,899 8.369,900 4.538,901 14.317,902 7.433,903 10.893,904 1.48,905 13.76,906 4.998,907 9.045,908 10.118,909 5.716,910 17.127,911 8.843,912 12.345,913 1.475,914 15.693,915 4.405,916 10.109,917 11.26,918 6.125,919 19.667,920 9.856,921 13.816,922 1.328,923 17.652,924 3.703,925 11.425,926 12.847,927 7.108,928 22.4,929 11.131,930 3.839,931 1.183,932 19.63,933 3.331,934 12.629,935 14.176,936 7.677,937 25.062,938 12.282,939 3.352,940 15.813,941 21.624,942 2.881,943 13.921,944 15.707,945 8.56,946 27.789,947 13.527,948 3.236,949 12.585,950 23.632,951 4.634,952 15.184,953 17.13,954 9.22,955 30.502,956 14.737,957 2.908,958 12.05,959 25.651,960 3.965,961 16.48,962 18.645,963 10.051,964 33.237,965 15.982,966 2.755,967 9.882,968 27.679,969 3.54,970 17.773,971 20.117,972 10.762,973 35.972,974 17.221,975 2.589,976 9.738,977 29.716,978 3.471,979 19.08,980 21.631,981 11.568,982 38.717,983 18.475,984 2.482,985 9.069,986 31.76,987 3.366,988 20.389,989 23.129,990 12.309,991 41.463,992 19.73,993 28585,994 43633,995 33.52,996 51.722,997 80.23,998 81.573,999 81.737,1000 78.792,1001 78.664,1002 94.888,1003 21.35,1004 256.023,1005 76.81,1006 5.879,1007 6.459,1008 7.91,1009 5.867,1010 5.839,1011 7.634,1012 3.883,1013 24.799,1014 5.651,1015 20.932,1016 1.605,1017 1.631,1018 1.635,1019 1.576,1020 1.573,1021 1.898,1022 0.427,1023 5.12,1024 1.536,1025 4.191,1026 4.221,1027 4.15,1028 4.117,1029 7.435,1030 4.121,1031 4.044,1032 4.078,1033 3.994,1034 3.9,1035 7.425,1036 3.909,1037 3.881,1038 3.914,1039 3.809,1040 3.774,1041 7.421,1042 3.784,1043 3.833,1044 3.882,1045 3.758,1046 3.691,1047 6.452,1048 3.7,1049 3.693,1050 3.741,1051 3.609,1052 3.498,1053 4.976,1054 3.518,1055 3.477,1056 3.529,1057 3.368,1058 3.352,1059 4.752,1060 3.345,1061 3.44,1062 3.49,1063 3.339,1064 3.302,1065 4.565,1066 3.306,1067 3.332,1068 3.372,1069 3.261,1070 3.138,1071 4.427,1072 3.156,1073 0.098,1074 0.089,1075 0.162,1076 0.096,1077 0.077,1078 4.879,1079 0.093,1080 4.459,1081 0.045,1082 8.108,1083 0.316,1084 4.791,1085 0.073,1086 3.839,1087 4.634,1088 2.23,1089 15.813,1090 3.651,1091 2.043,1092 2.022,1093 2.129,1094 2.122,1095 1.433,1096 2.126,1097 1.93,1098 1.901,1099 2.057,1100 2.039,1101 1.293,1102 2.041,1103 1.769,1104 1.728,1105 1.908,1106 1.933,1107 1.216,1108 1.926,1109 1.712,1110 1.675,1111 1.863,1112 1.906,1113 1.119,1114 1.888,1115 1.612,1116 1.57,1117 1.813,1118 1.836,1119 1.052,1120 1.818,1121 1.57,1122 1.509,1123 1.774,1124 1.754,1125 0.96,1126 1.783,1127 1.503,1128 1.455,1129 1.706,1130 1.7,1131 0.906,1132 1.703,1133 1.279,1134 1.212,1135 1.569,1136 1.523,1137 0.812,1138 1.535,1139 4.615,1140 6.033,1141 3.434,1142 7.652,1143 5.9,1144 9.371,1145 8.122,1146 11.147,1147 3.509,1151 12.045,1152 3.247,1153 2.871,1154 6.228,1156 -2.047,1157 5.034,1158 -3.881,1159 49.583,1160 121.052,1161 311.425,1162 413.997,1163 450.752,1164 460.752,1165 460.752,1166 102.819,1167 10.254,1168 118.21,1169 118.21,1170 45,1171 13.676,1172 4.392,1173 3.7,1174 53.767,1175 205,1176 205,1177 0.127,1178 289.922,1179 517.79,1180 699.169,1181 532843,1183 29.673,1184 0.69,1185 0.564,1186 29.673,1187 24.247,1188 20.676,1189 0.414,1190 0.302,1191 14.914,1192 19.925,1193 14.599,1194 11.887,1195 20.676,1196 15.118,1197 20.338,1198 0.257,1199 0.162,1200 20.338,1201 12.784,1202 18.595,1203 0.158,1204 0.086,1205 18.595,1206 10.132,1207 17.027,1208 0.097,1209 0.046,1210 17.027,1211 8.123,1212 14.492,1213 0.06,1214 0.025,1215 14.492,1216 6.02,1217 0.197,1218 129.507,1219 0.173,1220 37.25,1221 0.354,1222 258,1223 674.693,1224 285.851,1225 645.042,1226 896.76,1227 604,1228 326,1229 679.592,1230 356.906,1231 680.768,1232 1035.76,1233 645,1234 4.469}
{0 CHEMBL450105,1 1.577,2 14.63,3 4.873,4 23.746,5 171.884,6 7.734,7 0.549,8 4.487,9 4.598,10 4.084,11 4.02,12 5.635,13 4.016,14 5.018,15 5.181,16 4.459,17 4.407,18 6.179,19 4.389,20 5.285,21 5.474,22 4.553,23 4.573,24 6.406,25 4.53,26 5.358,27 5.553,28 4.57,29 4.615,30 6.468,31 4.562,32 5.422,33 5.634,34 4.622,35 4.642,36 6.634,37 4.591,38 5.418,39 5.62,40 4.648,41 4.656,42 6.558,43 4.612,44 5.462,45 5.659,46 4.675,47 4.687,48 6.642,49 4.647,50 5.488,51 5.678,52 4.683,53 4.729,54 6.723,55 4.672,56 0.082,57 1.182,58 15.119,59 6.988,60 15.202,61 8.744,62 0.491,63 1.931,64 29.302,65 11.164,66 57.383,67 14.713,68 0.843,69 2.388,70 41.451,71 14.88,72 87.224,73 19.475,74 0.751,75 2.533,76 44.829,77 16.244,78 91.606,79 21.503,80 1.017,81 2.673,82 49.563,83 16.774,84 167.679,85 22.989,86 0.845,87 2.706,88 48.033,89 16.671,90 92.309,91 22.373,92 1.007,93 2.752,94 50.856,95 17.392,96 115.026,97 22.583,98 0.991,99 2.76,100 51.629,101 19.335,102 157.004,103 25.265,104 47,105 72,106 0.236,107 0.588,108 0.783,109 0.88,110 0.896,111 0.896,112 3.854,113 0.888,114 -3.67,115 -3.64,116 -3.47,117 43.8,118 2,122 5,124 1,132 13,133 3,134 3,135 1,136 2,138 1,141 3,143 1,148 1,149 1,150 14,152 2,153 10,156 2,159 1,161 16,165 5,166 10,169 2,170 1,174 10,177 4,178 10,179 1,181 1,185 6,188 3,189 8,190 1,191 2,195 6,198 5,199 16,200 1,202 2,204 1,206 8,209 4,210 11,211 1,213 3,215 1,217 6,220 4,221 14,222 1,223 1,225 2,227 6,228 1,230 2,231 18,232 2,234 1,236 7,239 4,240 1,243 4956,244 31.247,245 31.247,246 31.247,247 31.247,248 31.247,249 27.633,250 32.194,251 18.436,252 31.882,253 25.156,254 25.156,255 25.156,256 25.156,257 25.156,258 19.547,259 36.506,260 8.72,261 26.103,262 4.745,263 2.396,264 1.099,265 0.453,266 0.344,267 0.344,268 4.563,273 1469,274 4.416,275 132.097,276 774.348,279 249.876,282 2.07,283 53.517,285 0.5,286 0.5,287 0.5,288 0.6,289 0.5,290 0.67,291 1,292 0.61,293 100,294 673,295 4.578,296 3.88,297 6.804,298 4.201,299 3.248,300 4.343,301 2.376,302 11.23,303 3.094,304 4.429,305 3.628,306 6.669,307 4.057,308 3.105,309 4.294,310 1.959,311 10.728,312 2.957,313 4.248,314 3.545,315 6.28,316 3.922,317 2.947,318 3.663,319 1.197,320 9.531,321 2.871,322 4.051,323 3.215,324 6.026,325 3.636,326 2.666,327 3.586,328 0.86,329 8.603,330 2.596,331 3.944,332 3.134,333 5.889,334 3.609,335 2.629,336 3.323,337 0.8,338 8.111,339 2.574,340 3.816,341 2.87,342 5.821,343 3.49,344 2.517,345 3.184,346 0.374,347 8.013,348 2.428,349 3.71,350 2.785,351 5.315,352 3.337,353 2.368,354 2.995,355 0.22,356 6.755,357 2.291,358 3.52,359 2.625,360 5.09,361 3.177,362 2.184,363 2.713,365 5.991,366 2.145,367 3.423,368 2.399,369 5.007,370 3.062,371 2.101,372 2.685,374 5.731,375 2.008,376 3.198,377 2.308,378 4.654,379 2.846,380 1.875,381 2.427,383 5.049,384 1.805,385 3.118,386 1.94,387 4.514,388 2.588,389 1.618,390 2.361,392 4.547,393 1.568,394 2.985,395 1.643,396 4.467,397 2.566,398 1.596,399 2.169,401 4.221,402 1.541,403 2.854,404 1.618,405 4.33,406 2.41,407 1.438,408 1.961,410 3.921,411 1.394,412 2.702,413 1.575,414 3.934,415 2.277,416 1.306,417 1.766,419 2.983,420 1.262,421 2.561,422 1.47,423 3.844,424 2.145,425 1.173,426 1.579,428 2.877,429 1.135,430 21.567,431 0.469,432 1.13,433 0.025,434 62.25,435 1.353,436 31.5,437 0.685,438 30.75,439 0.668,440 43.813,441 0.952,442 48.633,443 0.608,444 60.21,445 1.309,446 12.57,447 0.273,448 9.731,449 0.212,450 0.108,452 0.357,454 0.774,455 1.385,456 0.746,457 1.093,458 0.63,459 0.942,460 0.785,461 1.168,462 0.834,463 0.964,464 0.503,465 0.905,466 1.019,467 0.965,468 0.999,469 0.92,470 0.914,471 0.948,472 1.006,473 1.122,474 1.025,475 1.05,476 1.146,477 1.041,478 0.881,479 1.05,480 0.926,481 0.921,482 0.842,483 0.917,484 0.973,485 1.057,486 0.977,487 0.994,488 0.942,489 0.978,490 1.21,491 0.934,492 1.049,493 0.938,494 1.337,495 0.952,496 0.969,497 1.107,498 1,499 1.096,500 1.042,501 1.063,502 9,503 0.542,504 5.556,505 2.722,506 3.083,507 2.074,508 1.363,509 1.169,510 0.906,511 0.635,512 36702,513 99243,514 2.104,515 42.5,516 3,517 24,518 1,519 1,520 2,522 3,524 1.84,525 1.971,526 3.804,527 0.105,530 126.136,531 1.577,532 3.926,533 5.223,534 5.869,535 5.978,536 5.978,537 3.209,538 5.263,539 5.492,540 3.979,541 4118.66,542 9.791,543 77406.6,546 505.754,547 1.403,548 5.456,549 0.176,550 0.007,551 0.077,552 0.035,553 0.04,554 0.026,555 0.016,556 0.014,557 0.011,558 0.008,559 0.411,560 0.33,561 0.63,562 1.137,563 267.609,564 -0.054,565 -0.221,566 0.05,567 -0.065,568 -0.061,569 -0.005,570 0.072,571 -0.035,572 0.052,573 0.012,574 0.108,575 0.026,576 -0.007,577 0.107,578 -0.051,579 0.047,580 -0.043,581 -0.006,582 -0.034,583 -0.075,584 -0.072,585 -0.075,586 -0.118,587 -0.083,588 0.091,589 -0.01,590 0.053,591 0.039,592 0.157,593 0.044,594 0.009,595 0.009,596 -0.014,597 -0.038,598 -0.003,599 -0.032,600 -0.068,601 0.114,602 -0.068,603 0.017,604 -0.095,605 -0.016,606 0.081,607 -0.111,608 -0.035,609 -0.096,610 0.093,611 -0.088,612 2.839,613 7.221,614 0.717,615 61.641,616 1.008,617 1.123,618 2.442,619 5.965,620 0.675,621 3.951,622 4.29,623 4.585,624 4.875,625 5.17,626 5.318,627 5.517,628 5.71,629 5.894,630 6.028,631 8.677,632 0.651,633 618.75,634 3.951,635 5.509,636 6.372,637 7.261,638 8.145,639 9.042,640 9.938,641 10.84,642 11.742,643 12.648,644 7.5,648 1,649 2,650 1,652 2,653 2,654 15,655 2,658 7,659 1,660 28,663 1,665 1,667 1,669 80,670 31,671 3,672 51,673 85,674 35,675 24,676 6,677 12,678 1,679 6,680 7,684 2,685 1,687 1,688 27,689 8,691 3,692 3,695 3,699 34,700 10,701 2,702 11,704 1,705 6,706 0.833,707 5,708 1,712 1,713 5,716 1,719 1,721 1,729 1,731 5,734 2,737 46,739 1,740 5,741 1,742 1,744 1,745 2,749 6.3,751 1,752 3,754 1,755 23.333,756 14.95,757 10.083,758 4.844,759 4.117,760 1.456,761 0.985,762 9.337,763 13.156,764 4.234,765 4.834,766 5.419,767 6.008,768 6.584,769 6.922,770 7.349,771 7.777,772 8.184,773 8.395,774 0.9,775 77,776 17.153,777 7.481,778 7.844,779 32.25,780 26.607,781 2.344,782 107.833,785 376.675,786 209.201,787 59.73,789 129.118,792 209.201,793 505.793,794 59.73,795 17.65,796 34.15,797 132.239,798 176.107,799 49.673,800 11.771,801 353.133,803 376.675,804 268.93,805 129.118,807 341.362,808 164.431,810 69.976,811 165.383,812 33.571,814 376.675,815 188.848,816 209.201,817 376.675,818 50.264,819 167.084,820 18.011,821 162.689,822 376.675,823 188.848,824 209.201,825 0.581,826 0.337,827 0.183,828 0.108,829 34,830 16,831 0.106,832 9,833 1,834 1.061,835 5.231,836 509.068,837 0.061,838 33,839 250.084,841 31.276,842 13.733,843 6.938,844 1.801,845 186.948,846 28.578,847 9.357,850 4.881,851 1.844,852 60.694,853 774.723,854 68,855 38.948,858 -2.162,859 80.618,860 89.85,861 0.249,862 0.621,863 0.826,864 0.928,865 0.946,866 0.946,867 5.481,868 2.184,869 6.361,870 6.755,871 4.977,872 5.523,873 3.092,874 7.189,875 4.907,876 6.688,877 2.101,878 7.93,879 5.991,880 4.575,881 5.316,882 2.647,883 8.115,884 4.472,885 7.996,886 1.875,887 9.598,888 5.731,889 6.586,890 7.707,891 4.179,892 11.234,893 6.441,894 9.337,895 1.618,896 11.325,897 5.049,898 7.004,899 8.321,900 4.475,901 12.994,902 6.816,903 10.709,904 1.596,905 13.091,906 4.547,907 8.482,908 10.189,909 5.606,910 15.633,911 8.255,912 12.104,913 1.438,914 14.884,915 4.221,916 9.276,917 11.2,918 6.207,919 17.74,920 9.001,921 13.516,922 1.306,923 16.696,924 3.921,925 10.542,926 12.844,927 7.177,928 20.213,929 10.228,930 3.248,931 1.173,932 18.523,933 2.983,934 11.518,935 14.065,936 7.913,937 22.475,938 11.151,939 3.105,940 11.23,941 20.362,942 2.877,943 12.701,944 15.605,945 8.816,946 24.89,947 12.291,948 2.947,949 10.728,950 22.21,951 4.343,952 13.764,953 16.938,954 9.615,955 27.222,956 13.302,957 2.666,958 9.531,959 24.065,960 4.294,961 14.916,962 18.431,963 10.49,964 29.619,965 14.409,966 2.629,967 8.603,968 25.927,969 3.663,970 16.022,971 19.823,972 11.32,973 31.984,974 15.462,975 2.517,976 8.111,977 27.795,978 3.586,979 17.167,980 21.294,981 12.185,982 34.378,983 16.56,984 2.368,985 8.013,986 29.667,987 3.323,988 18.295,989 22.718,990 13.03,991 36.76,992 17.635,993 34394,994 56805,995 34.213,996 53.966,997 77.908,998 79.729,999 79.462,1000 76.864,1001 76.827,1002 100.734,1003 15.571,1004 223.07,1005 74.22,1006 5.578,1007 5.88,1008 6.574,1009 5.269,1010 5.248,1011 7.343,1012 3.99,1013 18.654,1014 5.094,1015 23.487,1016 1.528,1017 1.563,1018 1.558,1019 1.507,1020 1.506,1021 1.975,1022 0.305,1023 4.374,1024 1.455,1025 4.115,1026 4.154,1027 4.078,1028 4.013,1029 7.475,1030 4.021,1031 4.048,1032 4.082,1033 4.012,1034 3.955,1035 7.432,1036 3.965,1037 3.871,1038 3.908,1039 3.806,1040 3.807,1041 7.423,1042 3.804,1043 3.859,1044 3.896,1045 3.793,1046 3.687,1047 6.351,1048 3.707,1049 3.704,1050 3.743,1051 3.645,1052 3.547,1053 5.006,1054 3.567,1055 3.604,1056 3.649,1057 3.521,1058 3.379,1059 4.963,1060 3.403,1061 3.459,1062 3.527,1063 3.363,1064 3.277,1065 4.787,1066 3.292,1067 3.424,1068 3.471,1069 3.264,1070 3.251,1071 4.623,1072 3.24,1073 0.09,1074 0.076,1075 0.133,1076 0.082,1077 0.064,1078 4.578,1079 0.085,1080 3.88,1081 0.047,1082 6.804,1083 0.22,1084 4.201,1085 0.061,1086 3.248,1087 4.343,1088 2.376,1089 11.23,1090 3.094,1091 2.036,1092 2.01,1093 2.118,1094 2.137,1095 1.312,1096 2.132,1097 1.951,1098 1.924,1099 2.054,1100 2.051,1101 1.179,1102 2.05,1103 1.875,1104 1.85,1105 1.989,1106 2.004,1107 1.168,1108 1.993,1109 1.794,1110 1.744,1111 1.949,1112 1.963,1113 1.083,1114 1.972,1115 1.504,1116 1.46,1117 1.788,1118 1.784,1119 0.928,1120 1.754,1121 1.49,1122 1.453,1123 1.693,1124 1.716,1125 0.868,1126 1.738,1127 1.455,1128 1.391,1129 1.593,1130 1.647,1131 0.763,1132 1.63,1133 1.361,1134 1.311,1135 1.568,1136 1.542,1137 0.685,1138 1.548,1139 4.635,1140 5.969,1141 2.398,1142 7.496,1143 4.727,1144 9.112,1145 6.862,1146 10.776,1147 3.914,1151 9.229,1152 0.755,1153 2.467,1154 5.725,1156 -0.971,1157 3.466,1159 52.078,1160 126.136,1161 314.049,1162 417.874,1163 469.49,1164 478.244,1165 478.244,1166 102.199,1167 9.039,1168 129.89,1169 129.89,1170 35,1171 13.167,1172 5,1173 4.17,1174 70.207,1175 236,1176 252,1177 0.14,1178 316.051,1179 553.11,1180 762.924,1181 117369,1183 32.208,1184 0.7,1185 0.556,1186 32.208,1187 25.589,1188 22.3,1189 0.437,1190 0.296,1191 14.883,1192 21.402,1193 14.543,1194 12.01,1195 22.3,1196 15.103,1197 20.247,1198 0.281,1199 0.154,1200 20.247,1201 11.074,1202 17.083,1203 0.176,1204 0.082,1205 17.083,1206 7.941,1207 14.26,1208 0.11,1209 0.043,1210 14.26,1211 5.621,1212 12.309,1213 0.07,1214 0.023,1215 12.309,1216 4.033,1217 0.219,1218 139.984,1219 0.171,1220 39.711,1221 0.39,1222 246,1223 743.65,1224 271.86,1225 713.966,1226 974.83,1227 668,1228 292,1229 718.225,1230 318.508,1231 722.827,1232 1062,1233 682,1234 9.959}
{0 CHEMBL504114,1 1.592,2 14.796,3 6.462,4 41.755,5 184.319,6 7.63,7 0.519,8 4.562,9 4.674,10 4.143,11 4.099,12 5.707,13 4.089,14 5.104,15 5.271,16 4.538,17 4.495,18 6.266,19 4.473,20 5.381,21 5.573,22 4.662,23 4.677,24 6.506,25 4.638,26 5.491,27 5.687,28 4.745,29 4.734,30 6.682,31 4.692,32 5.549,33 5.745,34 4.771,35 4.76,36 6.795,37 4.726,38 5.564,39 5.766,40 4.771,41 4.783,42 6.723,43 4.741,44 5.632,45 5.839,46 4.783,47 4.816,48 6.839,49 4.769,50 5.639,51 5.841,52 4.773,53 4.847,54 6.803,55 4.78,56 0.086,57 1.314,58 16.825,59 7.97,60 17.204,61 9.94,62 0.501,63 2.156,64 32.836,65 12.93,66 62.134,67 16.982,68 0.758,69 2.752,70 46.145,71 16.95,72 83.583,73 21.993,74 0.911,75 3.012,76 52.63,77 19.378,78 113.828,79 25.358,80 1.143,81 3.16,82 56.834,83 19.527,84 173.624,85 25.007,86 0.895,87 3.194,88 56.762,89 19.686,90 118.438,91 25.921,92 1.298,93 3.361,94 62.758,95 21.003,96 182.817,97 27.188,98 1.193,99 3.298,100 62.49,101 23.064,102 163.684,103 30.048,104 96,105 78,106 0.235,107 0.575,108 0.766,109 0.871,110 0.889,111 0.892,112 3.915,113 0.903,114 -5.01,115 -4.91,116 -4.61,117 43.7,118 4,122 4,124 2,132 13,133 5,134 4,136 1,138 1,141 3,143 1,148 1,149 1,150 16,151 1,152 2,153 10,156 2,158 3,161 22,162 2,165 4,166 8,169 1,171 2,174 14,175 2,177 4,178 14,179 1,181 1,183 2,185 9,186 3,188 3,189 14,191 2,193 3,195 5,196 1,198 3,199 19,202 1,204 3,206 7,209 2,210 15,211 1,213 1,215 2,217 5,220 3,221 19,222 1,223 1,225 3,226 1,227 10,230 1,231 20,232 1,234 2,235 1,236 5,239 7,243 5647,244 32.747,245 32.747,246 32.747,247 32.747,248 32.747,249 29.151,250 37.982,251 19.083,252 33.396,253 26.624,254 26.624,255 26.624,256 26.624,257 26.624,258 20.963,259 45.956,260 8.984,261 27.608,262 4.851,263 2.549,264 1.26,265 0.549,266 0.426,267 0.403,268 4.62,272 1,273 1570,274 4.743,275 139.843,276 817.104,279 263.738,282 2.078,283 69.844,285 0.75,286 0.5,287 0.67,288 0.7,289 0.5,290 0.83,291 1,292 0.71,293 107,294 725,295 4.608,296 3.88,297 6.849,298 4.223,299 3.27,300 4.511,301 1.96,302 11.4,303 3.147,304 4.59,305 3.618,306 6.715,307 4.16,308 3.178,309 4.334,310 1.437,311 10.886,312 3.102,313 4.276,314 3.583,315 6.673,316 4.051,317 3.083,318 3.815,319 1.197,320 10.727,321 2.965,322 4.155,323 3.309,324 6.134,325 3.746,326 2.78,327 3.621,328 0.86,329 8.94,330 2.683,331 3.976,332 3.122,333 6.075,334 3.641,335 2.676,336 3.339,337 0.8,338 8.758,339 2.586,340 3.831,341 3.027,342 5.916,343 3.533,344 2.566,345 3.207,346 0.357,347 8.151,348 2.465,349 3.764,350 2.806,351 5.579,352 3.363,353 2.406,354 3.162,355 0.127,356 7.087,357 2.335,358 3.72,359 2.778,360 5.431,361 3.345,362 2.343,363 2.997,365 7.055,366 2.301,367 3.451,368 2.424,369 5.145,370 3.101,371 2.127,372 2.754,374 6.143,375 2.063,376 3.287,377 2.371,378 5.091,379 3.07,380 2.117,381 2.45,383 5.958,384 2.009,385 3.083,386 2.221,387 4.759,388 2.773,389 1.808,390 2.225,392 4.981,393 1.735,394 2.984,395 2.155,396 4.589,397 2.615,398 1.649,399 2.129,401 4.454,402 1.583,403 2.94,404 1.848,405 4.49,406 2.502,407 1.537,408 2.081,410 4.394,411 1.472,412 2.893,413 1.796,414 4.237,415 2.438,416 1.436,417 1.967,419 3.66,420 1.424,421 2.783,422 1.64,423 4.161,424 2.341,425 1.372,426 1.865,428 3.447,429 1.322,430 22.952,431 0.468,432 1.398,433 0.029,434 63.5,435 1.296,436 31.5,437 0.643,438 32,439 0.653,440 52.768,441 1.077,442 52.648,443 0.605,444 64.991,445 1.326,446 12.631,447 0.258,448 10.901,449 0.222,450 0.158,452 0.401,453 1,454 0.706,455 1.25,456 0.751,457 1.092,458 0.604,459 0.959,460 0.705,461 1.085,462 0.773,463 0.945,464 0.481,465 0.878,466 0.986,467 0.986,468 0.952,469 0.932,470 0.826,471 0.924,472 0.944,473 1.059,474 0.899,475 1.029,476 1.09,477 0.972,478 1.231,479 1.119,480 1.026,481 0.969,482 1.33,483 0.953,484 1.066,485 1.07,486 1.006,487 1.015,488 0.983,489 0.989,490 1.222,491 0.936,492 1.075,493 0.926,494 1.255,495 0.951,496 0.991,497 1.058,498 1.006,499 1.05,500 1.149,501 1.041,502 10.5,503 0.692,504 6,505 3.847,506 3.701,507 2.674,508 1.608,509 1.428,510 1.025,511 0.859,512 41783,513 113920,514 2.061,515 43.7,516 3,517 23,518 1,520 2,522 9,524 1.854,525 1.897,526 3.806,527 0.076,530 138.474,531 1.592,532 3.894,533 5.183,534 5.894,535 6.017,536 6.04,537 3.209,538 5.411,539 5.586,540 4.008,541 4713.29,542 9.975,543 91456.9,546 560.536,547 1.503,548 5.529,549 0.194,550 0.008,551 0.077,552 0.045,553 0.041,554 0.029,555 0.017,556 0.015,557 0.011,558 0.01,559 0.447,560 0.17,561 0.75,562 1.113,563 289.335,564 -0.042,565 -0.156,566 0.044,567 -0.044,568 -0.06,569 0.004,570 0.08,571 -0.028,572 0.111,573 0.046,574 0.113,575 0.077,576 -0.053,577 0.069,578 -0.014,579 0.041,580 -0.033,581 0.027,582 0.059,583 -0.035,584 0.063,585 -0.044,586 -0.024,587 -0.006,588 -0.06,589 -0.046,590 -0.037,591 -0.004,592 -0.059,593 -0.014,594 -0.077,595 -0.053,596 -0.042,597 -0.062,598 -0.031,599 -0.045,600 -0.084,601 0.096,602 -0.078,603 0.025,604 -0.056,605 -0.012,606 0.027,607 -0.091,608 -0.031,609 -0.057,610 -0.056,611 -0.06,612 2.718,613 7.398,614 0.673,615 63.842,616 1.008,617 1.126,618 3.784,619 14.319,620 0.669,621 4.007,622 4.369,623 4.673,624 4.99,625 5.273,626 5.442,627 5.638,628 5.82,629 6.009,630 6.163,631 8.863,632 0.644,633 663.81,634 4.007,635 5.58,636 6.45,637 7.354,638 8.248,639 9.158,640 10.062,641 10.976,642 11.885,643 12.801,644 5.7,648 1,649 2,650 1,652 1,653 2,654 14,655 1,658 9,659 1,660 28,663 1,664 1,665 1,667 1,668 1,669 87,670 31,671 4,672 54,673 92,674 38,675 25,676 9,677 13,678 2,679 6,680 7,684 4,685 1,687 2,688 28,689 10,691 3,692 3,695 3,698 1,699 38,700 10,701 2,702 11,704 1,705 5,706 0.833,707 5,712 1,713 5,716 1,719 1,729 1,731 5,734 4,736 1,737 49,739 1,740 4,741 1,742 1,744 2,745 2,748 1,749 5.7,751 1,752 3,754 1,755 25.833,756 16.893,757 10.667,758 5.423,759 4.278,760 1.463,761 0.976,762 10.046,763 13.519,764 4.277,765 4.896,766 5.503,767 6.123,768 6.694,769 7.067,770 7.498,771 7.905,772 8.302,773 8.553,774 0.9,775 86,776 18.39,777 8.134,778 7.908,779 34.332,780 28.496,781 2.408,782 118,785 423.76,786 228.433,787 42.944,789 129.118,790 14.96,792 228.433,793 552.878,794 57.904,795 35.301,796 32.045,797 132.239,798 147.551,799 53.361,800 26.731,801 411.989,803 423.76,804 271.377,805 144.078,807 332.78,808 235.058,810 74.329,811 180.263,812 16.786,814 438.72,815 172.062,816 228.433,817 423.76,818 60.894,819 175.687,820 18.011,821 160.864,822 423.76,823 187.022,824 228.433,825 0.587,826 0.343,827 0.194,828 0.111,829 37,830 19,831 0.098,832 9,833 1,834 1.061,835 5.273,836 564.858,837 0.061,838 33,839 273.121,841 34.159,842 14.411,843 7.192,844 1.374,845 185.123,846 24.398,847 4.676,850 2.787,851 1.658,852 60.694,853 839.215,854 71,855 40.239,858 -1.883,859 87.679,860 97.937,861 0.247,862 0.604,863 0.804,864 0.915,865 0.934,866 0.938,867 5.541,868 2.343,869 6.46,870 7.087,871 5.056,872 5.585,873 2.836,874 7.318,875 4.989,876 6.763,877 2.127,878 8.05,879 7.055,880 4.745,881 5.466,882 1.738,883 8.298,884 4.642,885 8.084,886 2.117,887 9.739,888 6.143,889 6.696,890 7.798,891 3.539,892 11.431,893 6.561,894 9.439,895 1.808,896 11.485,897 5.958,898 7.179,899 8.489,900 3.175,901 13.226,902 7.006,903 10.825,904 1.649,905 13.268,906 4.981,907 8.627,908 10.323,909 4.517,910 15.885,911 8.426,912 12.234,913 1.537,914 15.076,915 4.454,916 9.469,917 11.404,918 4.593,919 18.02,920 9.229,921 13.661,922 1.436,923 16.903,924 4.394,925 10.725,926 13.032,927 5.652,928 20.512,929 10.456,930 3.27,931 1.372,932 18.744,933 3.66,934 11.734,935 14.311,936 5.987,937 22.796,938 11.427,939 3.178,940 11.4,941 20.596,942 3.447,943 12.918,944 15.851,945 6.879,946 25.228,947 12.581,948 3.083,949 10.886,950 22.457,951 4.511,952 14.004,953 17.231,954 7.363,955 27.578,956 13.63,957 2.78,958 10.727,959 24.325,960 4.334,961 15.163,962 18.736,963 8.159,964 29.991,965 14.758,966 2.676,967 8.94,968 26.199,969 3.815,970 16.286,971 20.168,972 8.727,973 32.37,974 15.845,975 2.566,976 8.758,977 28.078,978 3.621,979 17.44,980 21.659,981 9.468,982 34.778,983 16.967,984 2.406,985 8.151,986 29.96,987 3.339,988 18.581,989 23.118,990 10.083,991 37.172,992 18.073,993 39501,994 65453,995 35.43,996 58.182,997 83.307,998 85.368,999 86.041,1000 82.147,1001 82.053,1002 106.32,1003 13.476,1004 243.876,1005 79.32,1006 5.608,1007 5.88,1008 6.619,1009 5.291,1010 5.27,1011 7.511,1012 3.435,1013 18.845,1014 5.147,1015 29.787,1016 1.543,1017 1.581,1018 1.593,1019 1.521,1020 1.519,1021 1.969,1022 0.25,1023 4.516,1024 1.469,1025 4.134,1026 4.165,1027 4.098,1028 4.067,1029 8.201,1030 4.068,1031 4.066,1032 4.094,1033 4.037,1034 3.964,1035 7.475,1036 3.978,1037 3.878,1038 3.915,1039 3.825,1040 3.807,1041 7.432,1042 3.807,1043 3.864,1044 3.901,1045 3.797,1046 3.692,1047 7.423,1048 3.711,1049 3.712,1050 3.759,1051 3.649,1052 3.554,1053 6.351,1054 3.573,1055 3.64,1056 3.708,1057 3.513,1058 3.472,1059 4.964,1060 3.47,1061 3.5,1062 3.534,1063 3.425,1064 3.372,1065 4.866,1066 3.373,1067 3.451,1068 3.515,1069 3.283,1070 3.254,1071 4.766,1072 3.242,1073 0.085,1074 0.072,1075 0.127,1076 0.078,1077 0.061,1078 4.608,1079 0.084,1080 3.88,1081 0.036,1082 6.849,1083 0.211,1084 4.223,1085 0.058,1086 3.27,1087 4.511,1088 1.96,1089 11.4,1090 3.147,1091 2.081,1092 2.065,1093 2.154,1094 2.15,1095 1.347,1096 2.151,1097 1.946,1098 1.921,1099 2.036,1100 2.052,1101 1.237,1102 2.046,1103 1.873,1104 1.849,1105 1.984,1106 2.011,1107 1.16,1108 2,1109 1.801,1110 1.749,1111 1.965,1112 1.965,1113 1.093,1114 1.97,1115 1.636,1116 1.564,1117 1.897,1118 1.851,1119 1.081,1120 1.87,1121 1.506,1122 1.475,1123 1.788,1124 1.716,1125 0.928,1126 1.738,1127 1.467,1128 1.405,1129 1.63,1130 1.656,1131 0.828,1132 1.644,1133 1.403,1134 1.362,1135 1.558,1136 1.583,1137 0.714,1138 1.568,1139 4.691,1140 6.043,1141 2.398,1142 7.585,1143 4.727,1144 9.22,1145 6.862,1146 10.905,1147 7.355,1149 15.398,1151 9.973,1152 1.077,1153 2.937,1154 5.7,1156 -1.11,1157 3.421,1159 56.02,1160 138.474,1161 338.755,1162 450.881,1163 512.762,1164 523.517,1165 525.517,1166 135.713,1167 9.241,1168 117,1169 117,1170 35,1171 13.314,1172 5,1173 4.17,1174 77.415,1175 259,1176 274,1177 0.142,1178 339.232,1179 600.08,1180 819.485,1181 148823,1182 1.1,1183 34.819,1184 0.711,1185 0.568,1186 33.949,1187 27.813,1188 23.532,1189 0.436,1190 0.301,1191 16.024,1192 22.587,1193 15.57,1194 12.913,1195 23.121,1196 16.252,1197 21.914,1198 0.281,1199 0.159,1200 21.375,1201 12.377,1202 18.083,1203 0.171,1204 0.08,1205 17.701,1206 8.514,1207 15.845,1208 0.109,1209 0.043,1210 15.284,1211 6.228,1212 13.038,1213 0.067,1214 0.023,1215 12.879,1216 4.414,1217 0.222,1218 147.743,1219 0.168,1220 41.522,1221 0.396,1222 264,1223 832.116,1224 292.304,1225 774.396,1226 1050.13,1227 722,1228 316,1229 771.375,1230 344.361,1231 772.319,1232 1140.85,1233 728,1234 10.469}
{0 CHEMBL504406,1 1.606,2 14.833,3 5.655,4 31.976,5 179.592,6 7.735,7 0.528,8 4.531,9 4.641,10 4.124,11 4.069,12 5.686,13 4.063,14 5.069,15 5.233,16 4.513,17 4.463,18 6.25,19 4.444,20 5.34,21 5.528,22 4.622,23 4.644,24 6.461,25 4.605,26 5.446,27 5.639,28 4.688,29 4.709,30 6.596,31 4.659,32 5.536,33 5.747,34 4.723,35 4.744,36 6.688,37 4.695,38 5.531,39 5.734,40 4.73,41 4.749,42 6.677,43 4.704,44 5.579,45 5.786,46 4.741,47 4.763,48 6.824,49 4.719,50 5.57,51 5.767,52 4.722,53 4.787,54 6.755,55 4.723,56 0.097,57 1.274,58 15.855,59 7.625,60 17.245,61 9.381,62 0.519,63 2.087,64 31.086,65 12.34,66 59.086,67 15.977,68 0.754,69 2.65,70 43.657,71 16.233,72 86.536,73 20.665,74 0.852,75 2.939,76 49.021,77 18.549,78 105.476,79 24.151,80 1.047,81 3.134,82 56.224,83 19.796,84 132.738,85 25.92,86 0.907,87 3.09,88 54.458,89 19.212,90 112.519,91 25.055,92 1.326,93 3.208,94 59.102,95 19.908,96 199.098,97 25.532,98 1.205,99 3.109,100 57.371,101 21.501,102 161.511,103 27.656,104 79,105 76,106 0.239,107 0.577,108 0.768,109 0.885,110 0.904,111 0.907,112 3.895,113 0.893,114 -4.84,115 -4.75,116 -4.46,117 44,118 3,122 5,124 1,132 13,133 5,134 4,136 1,138 1,141 3,143 1,148 1,149 1,150 16,151 1,152 2,153 11,156 2,158 2,161 21,162 2,165 3,166 8,169 1,171 2,174 14,175 2,177 3,178 12,179 1,181 1,183 2,185 9,186 3,188 3,189 13,191 2,193 3,195 5,196 1,198 3,199 16,202 1,204 3,206 7,209 2,210 12,211 1,213 1,215 2,217 5,220 4,221 17,223 1,225 3,226 1,227 8,230 1,231 16,232 1,234 1,235 1,236 5,239 5,243 5354,244 32.247,245 32.247,246 32.247,247 32.247,248 32.247,249 28.574,250 36.568,251 18.88,252 32.871,253 26.14,254 26.14,255 26.14,256 26.14,257 26.14,258 20.417,259 43.264,260 8.908,261 27.096,262 4.787,263 2.507,264 1.228,265 0.441,266 0.313,267 0.289,268 4.601,272 1,273 1545,274 4.528,275 137.197,276 799.369,279 258.191,282 2.076,283 65.97,285 0.75,286 0.5,287 0.67,288 0.7,289 0.5,290 0.83,291 1,292 0.71,293 105,294 712,295 4.607,296 3.745,297 6.839,298 4.212,299 3.261,300 4.511,301 1.907,302 11.372,303 3.143,304 4.589,305 3.618,306 6.688,307 4.158,308 3.172,309 4.334,310 1.437,311 10.816,312 3.092,313 4.231,314 3.515,315 6.591,316 3.99,317 3.032,318 3.815,319 1.2,320 10.404,321 2.897,322 4.141,323 3.32,324 6.116,325 3.74,326 2.776,327 3.612,328 0.86,329 8.913,330 2.668,331 3.935,332 3.151,333 6.075,334 3.63,335 2.672,336 3.278,337 0.8,338 8.754,339 2.554,340 3.802,341 3.028,342 5.686,343 3.434,344 2.484,345 3.194,346 0.293,347 7.603,348 2.364,349 3.764,350 2.844,351 5.579,352 3.345,353 2.344,354 3.157,355 0.149,356 7.087,357 2.331,358 3.576,359 2.779,360 5.393,361 3.275,362 2.291,363 2.772,365 6.886,366 2.249,367 3.459,368 2.564,369 5.112,370 3.126,371 2.127,372 2.735,374 6.114,375 2.112,376 3.421,377 2.371,378 4.81,379 3.078,380 2.117,381 2.604,383 5.268,384 2.018,385 3.098,386 2.163,387 4.682,388 2.691,389 1.74,390 2.274,392 4.941,393 1.639,394 2.978,395 1.849,396 4.558,397 2.539,398 1.559,399 2.147,401 4.414,402 1.526,403 2.93,404 1.802,405 4.414,406 2.455,407 1.5,408 2.082,410 4.112,411 1.429,412 2.826,413 1.708,414 4.213,415 2.437,416 1.436,417 1.938,419 3.629,420 1.415,421 2.716,422 1.625,423 4.149,424 2.328,425 1.362,426 1.786,428 3.425,429 1.311,430 22.452,431 0.468,432 1.309,433 0.027,434 63,435 1.313,436 31.5,437 0.656,438 31.5,439 0.656,440 49.452,441 1.03,442 51.348,443 0.611,444 63.177,445 1.316,446 12.725,447 0.265,448 10.397,449 0.217,450 0.139,452 0.387,453 1,454 0.707,455 1.244,456 0.739,457 1.082,458 0.597,459 0.946,460 0.716,461 1.067,462 0.785,463 0.938,464 0.477,465 0.878,466 1.024,467 0.979,468 0.979,469 0.921,470 0.845,471 0.928,472 0.886,473 1.088,474 0.958,475 1.074,476 0.961,477 1.041,478 1.028,479 1.088,480 0.958,481 0.961,482 1.08,483 0.942,484 1.033,485 1.066,486 1.012,487 1.028,488 0.984,489 1.008,490 1.173,491 0.939,492 1.066,493 0.927,494 1.166,495 0.952,496 0.967,497 1.077,498 1.031,499 1.079,500 1.117,501 1.078,502 10,503 0.638,504 5.778,505 3.472,506 3.581,507 2.39,508 1.608,509 1.34,510 0.832,511 0.761,512 40396,513 113469,514 2.074,515 42.9,516 3,517 24,518 1,520 2,521 3,522 3,524 1.849,525 1.92,526 3.807,527 0.085,530 134.868,531 1.606,532 3.885,533 5.165,534 5.952,535 6.08,536 6.103,537 3.204,538 5.335,539 5.557,540 4.017,541 4530.86,542 9.911,543 87425.1,546 536.955,547 1.477,548 5.505,549 0.189,550 0.008,551 0.076,552 0.042,553 0.042,554 0.027,555 0.018,556 0.015,557 0.01,558 0.009,559 0.435,560 0.17,561 0.75,562 1.105,563 282.565,564 -0.046,565 -0.159,566 0.043,567 -0.046,568 -0.056,569 0.004,570 0.068,571 -0.013,572 0.09,573 0.045,574 0.117,575 0.067,576 -0.096,577 0.072,578 -0.047,579 0.051,580 -0.047,581 0.021,582 0.031,583 -0.054,584 -0.016,585 -0.089,586 -0.036,587 -0.074,588 -0.022,589 -0.035,590 0.024,591 0.011,592 -0.057,593 0.023,594 -0.073,595 -0.061,596 -0.051,597 -0.072,598 -0.058,599 -0.058,600 -0.057,601 0.091,602 -0.071,603 0.024,604 0.002,605 -0.011,606 0.044,607 -0.105,608 -0.063,609 -0.085,610 -0.043,611 -0.1,612 2.695,613 7.359,614 0.688,615 62.917,616 1.009,617 1.125,618 3.61,619 13.031,620 0.672,621 3.989,622 4.344,623 4.644,624 4.956,625 5.247,626 5.416,627 5.613,628 5.787,629 5.961,630 6.116,631 8.905,632 0.649,633 649.78,634 3.989,635 5.557,636 6.425,637 7.324,638 8.216,639 9.123,640 10.025,641 10.936,642 11.843,643 12.757,644 6,648 1,649 2,650 1,652 1,653 2,654 14,655 1,658 9,659 1,660 28,663 1,664 1,665 1,667 1,668 1,669 84,670 31,671 4,672 53,673 89,674 37,675 25,676 9,677 13,678 2,679 6,680 7,684 3,685 1,687 1,688 28,689 9,691 3,692 3,695 3,698 1,699 36,700 10,701 2,702 11,704 1,705 5,706 0.833,707 5,712 1,713 5,716 1,719 1,729 1,731 5,734 3,736 1,737 48,739 1,740 5,741 1,742 1,744 1,745 2,748 1,749 6,751 1,752 3,754 1,755 25,756 16.06,757 10.472,758 5.132,759 4.299,760 1.466,761 0.984,762 9.809,763 13.516,764 4.263,765 4.881,766 5.482,767 6.103,768 6.682,769 7.056,770 7.488,771 7.888,772 8.27,773 8.515,774 0.9,775 83,776 17.958,777 7.896,778 7.92,779 33.575,780 27.824,781 2.42,782 116.167,785 400.217,786 221.714,787 42.944,789 129.118,790 14.96,792 221.714,793 529.335,794 57.904,795 26.476,796 34.15,797 132.239,798 147.551,799 53.361,800 26.731,801 388.446,803 400.217,804 264.658,805 144.078,807 379.864,808 164.431,810 67.61,811 180.263,812 16.786,814 415.178,815 172.062,816 221.714,817 400.217,818 63,819 166.862,820 18.011,821 160.864,822 400.217,823 187.022,824 221.714,825 0.585,826 0.34,827 0.19,828 0.111,829 36,830 18,831 0.101,832 9,833 1,834 1.061,835 5.267,836 544.664,837 0.061,838 33,839 268.078,841 33.197,842 14.184,843 7.108,844 1.43,845 185.123,846 24.663,847 4.695,850 3.083,851 1.686,852 60.694,853 808.953,854 70,855 38.418,858 -1.642,859 84.796,860 94.521,861 0.251,862 0.608,863 0.808,864 0.931,865 0.951,866 0.955,867 5.521,868 2.291,869 6.428,870 7.087,871 5.03,872 5.57,873 2.803,874 7.277,875 4.963,876 6.741,877 2.127,878 8.011,879 6.886,880 4.691,881 5.44,882 1.738,883 8.242,884 4.588,885 8.06,886 2.117,887 9.694,888 6.114,889 6.661,890 7.783,891 3.461,892 11.371,893 6.524,894 9.413,895 1.74,896 11.435,897 5.268,898 7.124,899 8.469,900 3.09,901 13.157,902 6.946,903 10.797,904 1.559,905 13.213,906 4.941,907 8.581,908 10.309,909 4.383,910 15.81,911 8.374,912 12.204,913 1.5,914 15.017,915 4.414,916 9.41,917 11.387,918 4.432,919 17.938,920 9.16,921 13.629,922 1.436,923 16.84,924 4.112,925 10.67,926 13.02,927 5.456,928 20.424,929 10.391,930 3.261,931 1.362,932 18.677,933 3.629,934 11.67,935 14.299,936 5.759,937 22.701,938 11.351,939 3.172,940 11.372,941 20.525,942 3.425,943 12.854,944 15.842,945 6.62,946 25.127,947 12.505,948 3.032,949 10.816,950 22.383,951 4.511,952 13.935,953 17.223,954 7.072,955 27.471,956 13.548,957 2.776,958 10.404,959 24.247,960 4.334,961 15.093,962 18.729,963 7.839,964 29.878,965 14.675,966 2.672,967 8.913,968 26.118,969 3.815,970 16.212,971 20.162,972 8.376,973 32.252,974 15.758,975 2.484,976 8.754,977 27.993,978 3.612,979 17.364,980 21.654,981 9.09,982 34.654,983 16.878,984 2.344,985 7.603,986 29.873,987 3.278,988 18.502,989 23.114,990 9.674,991 37.044,992 17.982,993 38098,994 64048,995 35.024,996 56.421,997 81.259,998 83.279,999 83.638,1000 80.305,1001 80.23,1002 104.537,1003 13.291,1004 236.725,1005 77.54,1006 5.607,1007 5.745,1008 6.609,1009 5.28,1010 5.261,1011 7.511,1012 3.344,1013 18.766,1014 5.143,1015 27.957,1016 1.533,1017 1.571,1018 1.578,1019 1.515,1020 1.514,1021 1.972,1022 0.251,1023 4.467,1024 1.463,1025 4.134,1026 4.164,1027 4.096,1028 4.066,1029 8.201,1030 4.068,1031 4.066,1032 4.094,1033 4.037,1034 3.964,1035 7.475,1036 3.978,1037 3.878,1038 3.913,1039 3.824,1040 3.807,1041 7.431,1042 3.807,1043 3.856,1044 3.9,1045 3.78,1046 3.689,1047 7.426,1048 3.704,1049 3.703,1050 3.744,1051 3.639,1052 3.548,1053 6.351,1054 3.566,1055 3.591,1056 3.647,1057 3.498,1058 3.412,1059 4.964,1060 3.42,1061 3.494,1062 3.531,1063 3.424,1064 3.313,1065 4.866,1066 3.333,1067 3.451,1068 3.511,1069 3.283,1070 3.254,1071 4.766,1072 3.242,1073 0.087,1074 0.071,1075 0.129,1076 0.079,1077 0.062,1078 4.607,1079 0.085,1080 3.745,1081 0.036,1082 6.839,1083 0.215,1084 4.212,1085 0.059,1086 3.261,1087 4.511,1088 1.907,1089 11.372,1090 3.143,1091 2.081,1092 2.065,1093 2.154,1094 2.15,1095 1.367,1096 2.152,1097 1.946,1098 1.921,1099 2.036,1100 2.052,1101 1.263,1102 2.046,1103 1.873,1104 1.849,1105 1.986,1106 2.011,1107 1.16,1108 2.005,1109 1.804,1110 1.747,1111 1.972,1112 1.965,1113 1.081,1114 1.971,1115 1.526,1116 1.482,1117 1.788,1118 1.779,1119 0.948,1120 1.768,1121 1.5,1122 1.459,1123 1.751,1124 1.716,1125 0.928,1126 1.738,1127 1.463,1128 1.398,1129 1.632,1130 1.656,1131 0.73,1132 1.643,1133 1.396,1134 1.354,1135 1.574,1136 1.581,1137 0.707,1138 1.568,1139 4.673,1140 6.019,1141 2.398,1142 7.556,1143 4.727,1144 9.186,1145 6.862,1146 10.867,1147 5.098,1149 15.359,1151 9.947,1152 1.665,1153 2.839,1154 5.699,1156 -0.471,1157 3.699,1159 54.493,1160 134.868,1161 326.353,1162 433.829,1163 499.935,1164 510.69,1165 512.69,1166 124.498,1167 9.217,1168 117,1169 117,1170 35,1171 13.271,1172 5,1173 4.17,1174 75.044,1175 256,1176 264,1177 0.14,1178 329.639,1179 582.78,1180 796.08,1181 145873,1182 1.2,1183 33.949,1184 0.707,1185 0.561,1186 33.078,1187 26.943,1188 23.121,1189 0.436,1190 0.298,1191 15.552,1192 22.162,1193 15.152,1194 12.519,1195 22.711,1196 15.782,1197 21.375,1198 0.281,1199 0.155,1200 20.836,1201 11.789,1202 17.71,1203 0.172,1204 0.082,1205 17.328,1206 8.47,1207 15.252,1208 0.108,1209 0.044,1210 14.691,1211 6.156,1212 12.849,1213 0.068,1214 0.023,1215 12.69,1216 4.423,1217 0.218,1218 145.324,1219 0.169,1220 40.971,1221 0.387,1222 258,1223 826.116,1224 285.971,1225 767.609,1226 1038.43,1227 716,1228 308,1229 759.093,1230 335.308,1231 759.629,1232 1118.46,1233 716,1234 9.886}
{0 CHEMBL504861,1 1.58,2 14.953,3 6.434,4 41.391,5 162.529,6 7.82,7 0.583,8 4.411,9 4.516,10 4.02,11 3.971,12 5.563,13 3.964,14 4.944,15 5.101,16 4.407,17 4.367,18 6.12,19 4.348,20 5.202,21 5.386,22 4.513,23 4.536,24 6.325,25 4.497,26 5.288,27 5.473,28 4.55,29 4.572,30 6.469,31 4.522,32 5.343,33 5.551,34 4.536,35 4.572,36 6.503,37 4.521,38 5.304,39 5.505,40 4.502,41 4.537,42 6.44,43 4.488,44 5.313,45 5.51,46 4.478,47 4.515,48 6.551,49 4.469,50 5.306,51 5.508,52 4.403,53 4.508,54 6.467,55 4.43,56 0.069,57 1.11,58 13.584,59 6.761,60 13.982,61 8.17,62 0.421,63 1.844,64 26.671,65 10.947,66 48.509,67 13.814,68 0.554,69 2.331,70 37.078,71 14.579,72 59.835,73 18.313,74 0.69,75 2.532,76 40.964,77 16.226,78 86.546,79 20.597,80 0.772,81 2.642,82 45.641,83 16.762,84 100.676,85 21.297,86 0.629,87 2.491,88 42.849,89 15.813,90 82.063,91 20.144,92 0.949,93 2.521,94 44.333,95 15.642,96 140.167,97 19.21,98 0.982,99 2.406,100 44.355,101 16.838,102 122.271,103 21.298,104 42,105 69,106 0.241,107 0.568,108 0.743,109 0.846,110 0.876,111 0.88,112 3.788,113 0.888,114 -5.44,115 -5.32,116 -4.97,117 45.9,118 2,122 5,132 13,133 5,134 4,136 1,138 1,141 2,143 1,148 1,149 1,150 16,151 1,152 2,153 10,156 1,158 1,161 21,162 2,165 3,166 8,171 2,174 14,175 2,177 3,178 12,179 1,183 2,185 9,186 3,188 2,189 12,191 1,193 3,195 5,196 1,198 2,199 15,204 1,206 7,209 1,210 11,211 1,217 5,220 3,221 14,223 1,227 6,231 13,232 1,239 3,243 3989,244 29.179,245 29.179,246 29.179,247 29.179,248 29.179,249 25.712,250 31.773,251 17.029,252 29.797,253 23.663,254 23.663,255 23.663,256 23.663,257 23.663,258 18.256,259 36.738,260 8.003,261 24.602,262 4.629,263 2.478,264 1.329,265 0.652,266 0.453,267 0.426,268 4.499,273 1412,274 3.873,275 123.32,276 707.598,279 229.388,282 2.151,283 53.138,285 0.5,286 0.67,287 0.83,288 0.7,289 0.5,290 0.83,291 1,292 0.72,293 93.5,294 643,295 4.605,296 3.707,297 6.83,298 4.199,299 3.25,300 4.511,301 1.437,302 11.346,303 3.14,304 4.589,305 3.618,306 6.685,307 4.155,308 3.164,309 4.334,310 1.2,311 10.802,312 3.082,313 4.197,314 3.314,315 6.365,316 3.878,317 2.913,318 3.814,319 0.86,320 9.585,321 2.809,322 4.113,323 3.128,324 6.094,325 3.729,326 2.768,327 3.603,328 0.8,329 8.843,330 2.654,331 3.905,332 3.027,333 6.07,334 3.621,335 2.668,336 3.249,337 0.293,338 8.734,339 2.532,340 3.786,341 2.802,342 5.579,343 3.392,344 2.445,345 3.183,347 7.168,348 2.338,349 3.764,350 2.777,351 5.456,352 3.345,353 2.344,354 3.15,356 7.087,357 2.317,358 3.452,359 2.371,360 5.18,361 3.091,362 2.119,363 2.758,365 6.222,366 2.047,367 3.296,368 2.303,369 5.096,370 2.981,371 2.035,372 2.494,374 6.044,375 1.917,376 3.044,377 2.147,378 4.734,379 2.642,380 1.691,381 2.218,383 4.789,384 1.598,385 2.966,386 1.848,387 4.509,388 2.508,389 1.541,390 2.103,392 4.359,393 1.48,394 2.921,395 1.793,396 4.24,397 2.438,398 1.436,399 2.078,401 3.662,402 1.424,403 2.794,404 1.636,405 4.157,406 2.344,407 1.375,408 1.904,410 3.45,411 1.324,412 2.699,413 1.569,414 3.792,415 2.277,416 1.304,417 1.756,419 2.957,420 1.263,421 2.553,422 1.342,423 3.647,424 2.116,425 1.138,426 1.567,428 2.735,429 1.109,430 20.219,431 0.47,432 1.113,433 0.026,434 58.25,435 1.355,436 30,437 0.698,438 28.25,439 0.657,440 39.912,441 0.928,442 45.181,443 0.611,444 53.747,445 1.25,446 11.7,447 0.272,448 9.117,449 0.212,450 0.113,452 0.381,453 1,454 0.703,455 1.197,456 0.721,457 1.05,458 0.605,459 0.921,460 0.748,461 1.024,462 0.791,463 0.906,464 0.478,465 0.856,466 0.959,467 0.992,468 0.931,469 0.937,470 0.752,471 0.923,472 0.912,473 1.1,474 0.965,475 1.094,476 1.057,477 1.056,478 1.094,479 1.094,480 0.992,481 0.976,482 1.158,483 0.959,484 1.053,485 1.074,486 1.013,487 1.038,488 0.989,489 1.012,490 1.295,491 0.991,492 1.139,493 0.979,494 1.348,495 1.009,496 1.009,497 1.056,498 1.096,499 1.075,500 1.189,501 1.106,502 8.5,503 0.353,504 5.333,505 3.16,506 2.949,507 2.188,508 1.327,509 0.857,510 0.599,511 0.521,512 32825,513 89529,514 2.111,515 41.9,516 3,517 23,518 1,520 1,522 3,524 1.819,525 1.969,526 3.807,527 -0.415,530 116.946,531 1.58,532 3.731,533 4.88,534 5.557,535 5.757,536 5.784,537 3.201,538 5.176,539 5.398,540 4.037,541 3645.28,542 9.562,543 66560.1,546 459.5,547 1.432,548 5.355,549 0.177,550 0.007,551 0.077,552 0.042,553 0.039,554 0.03,555 0.019,556 0.013,557 0.01,558 0.009,559 0.423,560 0.17,561 0.63,562 0.855,563 247.697,564 -0.037,565 -0.16,566 0.049,567 -0.048,568 -0.057,569 0.002,570 0.049,571 0.006,572 0.075,573 0.057,574 0.113,575 0.07,576 -0.059,577 0.039,578 -0.008,579 0.032,581 0.025,582 0.05,583 -0.08,584 -0.023,585 -0.113,586 -0.033,587 -0.097,588 -0.05,589 -0.031,590 -0.006,591 -0.007,592 -0.073,593 0.002,594 -0.078,595 -0.079,596 -0.048,597 -0.083,598 -0.044,599 -0.061,600 -0.095,601 0.058,602 -0.141,603 -0.027,604 -0.054,605 -0.077,606 0.06,607 -0.087,608 -0.106,609 -0.089,610 -0.062,611 -0.129,612 2.643,613 7.161,614 0.767,615 55.343,616 1.008,617 1.121,618 4.207,619 17.695,620 0.682,621 3.892,622 4.248,623 4.564,624 4.868,625 5.147,626 5.303,627 5.481,628 5.624,629 5.775,630 5.9,631 8.918,632 0.658,633 578.69,634 3.892,635 5.46,636 6.333,637 7.232,638 8.125,639 9.03,640 9.93,641 10.839,642 11.743,643 12.654,644 5.4,648 1,649 1,650 1,652 1,653 2,654 14,655 1,658 9,659 1,660 28,663 1,664 1,665 1,667 1,668 1,669 74,670 30,671 4,672 48,673 79,674 34,675 25,676 9,677 13,678 2,679 6,680 7,684 2,688 27,689 7,691 2,692 2,695 2,698 1,699 31,700 8,701 1,702 9,704 1,705 4,706 0.833,707 4,712 1,713 5,716 1,729 1,731 5,734 2,736 1,737 43,739 1,740 5,742 1,745 2,748 1,749 5.4,751 1,752 2,754 1,755 21.833,756 14.06,757 9.361,758 4.602,759 4.41,760 1.485,761 1.002,762 8.091,763 13.497,764 4.174,765 4.81,766 5.444,767 6.071,768 6.652,769 7.026,770 7.45,771 7.836,772 8.206,773 8.424,774 0.9,775 75,776 16.046,777 7.058,778 7.864,779 30.217,780 25.195,781 2.364,782 101.667,785 353.133,786 208.184,787 24.933,789 103.973,790 14.96,792 208.184,793 457.106,794 39.893,795 17.65,796 16.14,797 132.239,798 117.701,799 53.361,800 26.731,801 341.362,803 353.133,804 233.117,805 118.933,807 332.78,808 139.286,810 40.774,811 175.558,812 16.786,814 368.093,815 128.906,816 208.184,817 353.133,818 58.295,819 158.037,821 135.719,822 353.133,823 143.866,824 208.184,825 0.586,826 0.349,827 0.195,828 0.111,829 34,830 16,831 0.089,832 7,833 1,834 1.061,835 5.062,836 463.212,837 0.061,838 33,839 229.329,841 28.754,842 12.099,843 5.823,844 1.543,845 141.967,846 25.094,847 4.653,850 3.609,851 1.724,852 42.683,853 705.184,854 64,855 25.694,858 -1.229,859 74.6,860 82.983,861 0.255,862 0.601,863 0.786,864 0.895,865 0.927,866 0.931,867 5.429,868 2.119,869 6.333,870 7.087,871 4.934,872 5.499,873 2.346,874 7.183,875 4.863,876 6.652,877 2.035,878 7.917,879 6.222,880 4.575,881 5.359,882 0.57,883 8.143,884 4.459,885 7.974,886 1.691,887 9.6,888 6.044,889 6.567,890 7.737,891 2.682,892 11.271,893 6.427,894 9.331,895 1.541,896 11.34,897 4.789,898 7.022,899 8.426,900 0.801,901 13.05,902 6.839,903 10.721,904 1.436,905 13.118,906 4.359,907 8.489,908 10.282,909 3.193,910 15.696,911 8.283,912 12.133,913 1.375,914 14.921,915 3.662,916 9.312,917 11.365,918 1.074,919 17.817,920 9.066,921 13.564,922 1.304,923 16.742,924 3.45,925 10.575,926 13.005,927 3.793,928 20.297,929 10.305,930 3.25,931 1.138,932 18.577,933 2.957,934 11.57,935 14.287,936 1.404,937 22.569,938 11.263,939 3.164,940 11.346,941 20.422,942 2.735,943 12.754,944 15.834,945 4.444,946 24.991,947 12.421,948 2.913,949 10.802,950 22.276,951 4.511,952 13.83,953 17.216,954 1.768,955 27.332,956 13.463,957 2.768,958 9.585,959 24.138,960 4.334,961 14.986,962 18.724,963 5.123,964 29.737,965 14.591,966 2.668,967 8.843,968 26.005,969 3.814,970 16.1,971 20.158,972 2.15,973 32.111,974 15.673,975 2.445,976 8.734,977 27.877,978 3.603,979 17.249,980 21.651,981 5.819,982 34.513,983 16.794,984 2.344,985 7.168,986 29.753,987 3.249,988 18.384,989 23.111,990 2.538,991 36.903,992 17.897,993 30538,994 50633,995 32.134,996 50.438,997 73.716,998 75.338,999 75.813,1000 72.936,1001 72.819,1002 96.041,1003 9.179,1004 215.342,1005 70.192,1006 5.605,1007 5.707,1008 6.6,1009 5.266,1010 5.25,1011 7.511,1012 2.873,1013 18.73,1014 5.14,1015 22.698,1016 1.536,1017 1.57,1018 1.579,1019 1.519,1020 1.517,1021 2.001,1022 0.191,1023 4.486,1024 1.462,1025 4.129,1026 4.159,1027 4.093,1028 4.065,1029 8.201,1030 4.066,1031 4.066,1032 4.094,1033 4.037,1034 3.963,1035 7.475,1036 3.977,1037 3.877,1038 3.903,1039 3.824,1040 3.807,1041 7.428,1042 3.807,1043 3.821,1044 3.876,1045 3.747,1046 3.652,1047 6.351,1048 3.669,1049 3.687,1050 3.733,1051 3.613,1052 3.532,1053 4.964,1054 3.546,1055 3.5,1056 3.535,1057 3.432,1058 3.371,1059 4.866,1060 3.376,1061 3.451,1062 3.513,1063 3.283,1064 3.253,1065 4.766,1066 3.242,1067 3.301,1068 3.317,1069 3.233,1070 3.099,1071 4.564,1072 3.126,1073 0.096,1074 0.077,1075 0.142,1076 0.087,1077 0.068,1078 4.605,1079 0.094,1080 3.707,1081 0.03,1082 6.83,1083 0.236,1084 4.199,1085 0.065,1086 3.25,1087 4.511,1088 1.437,1089 11.346,1090 3.14,1091 2.081,1092 2.065,1093 2.154,1094 2.148,1095 1.342,1096 2.15,1097 1.946,1098 1.921,1099 2.036,1100 2.052,1101 1.228,1102 2.046,1103 1.872,1104 1.848,1105 1.984,1106 1.986,1107 1.16,1108 1.983,1109 1.765,1110 1.705,1111 1.949,1112 1.959,1113 1.081,1114 1.963,1115 1.506,1116 1.475,1117 1.788,1118 1.716,1119 0.928,1120 1.738,1121 1.466,1122 1.403,1123 1.63,1124 1.656,1125 0.825,1126 1.644,1127 1.399,1128 1.357,1129 1.558,1130 1.58,1131 0.714,1132 1.566,1133 1.342,1134 1.286,1135 1.523,1136 1.537,1137 0.67,1138 1.536,1139 4.575,1140 5.922,1141 2.398,1142 7.466,1143 4.727,1144 9.099,1145 6.862,1146 10.78,1147 3.721,1149 15.161,1151 9.797,1152 2.405,1154 5.673,1157 3.821,1159 48.703,1160 116.946,1161 276.091,1162 361.129,1163 411.235,1164 425.99,1165 427.99,1166 94.487,1167 9.086,1168 87.9,1169 87.9,1170 35,1171 13.17,1172 4.954,1173 4.087,1174 63.814,1175 231,1176 220,1177 0.132,1178 292.999,1179 513.73,1180 706.678,1181 130203,1182 1.4,1183 30.087,1184 0.7,1185 0.557,1186 29.217,1187 23.957,1188 20.817,1189 0.434,1190 0.296,1191 14.018,1192 20,1193 13.691,1194 11.292,1195 20.406,1196 14.216,1197 19.082,1198 0.277,1199 0.153,1200 18.542,1201 10.532,1202 16.398,1203 0.173,1204 0.081,1205 16.016,1206 7.706,1207 14.106,1208 0.109,1209 0.043,1210 13.545,1211 5.545,1212 11.707,1213 0.068,1214 0.023,1215 11.548,1216 3.906,1217 0.21,1218 130.503,1219 0.176,1220 37.964,1221 0.357,1222 234,1223 734.048,1224 257.702,1225 682.352,1226 931.41,1227 638,1228 281,1229 688.415,1230 304.953,1231 689.749,1232 1019.89,1233 651,1234 9.523}
{0 CHEMBL505727,1 1.494,2 14.929,3 6.228,4 38.789,5 162.312,6 7.577,7 0.596,8 4.405,9 4.512,10 3.993,11 3.973,12 5.523,13 3.956,14 4.936,15 5.097,16 4.37,17 4.369,18 6.067,19 4.338,20 5.19,21 5.379,22 4.461,23 4.539,24 6.249,25 4.483,26 5.274,27 5.465,28 4.477,29 4.575,30 6.36,31 4.506,32 5.327,33 5.541,34 4.481,35 4.575,36 6.404,37 4.504,38 5.294,39 5.499,40 4.45,41 4.539,42 6.371,43 4.474,44 5.297,45 5.501,46 4.396,47 4.518,48 6.397,49 4.451,50 5.293,51 5.501,52 4.318,53 4.511,54 6.363,55 4.412,56 0.026,57 1.038,58 14.332,59 6.728,60 11.201,61 8.457,62 0.354,63 1.742,64 27.445,65 10.898,66 44.501,67 14.264,68 0.425,69 2.173,70 37.433,71 14.496,72 48.877,73 19.039,74 0.434,75 2.304,76 41.105,77 16.16,78 64.016,79 21.249,80 0.543,81 2.416,82 45.103,83 16.636,84 74.876,85 22.408,86 0.472,87 2.354,88 43.092,89 15.741,90 69.204,91 20.834,92 0.581,93 2.315,94 44.012,95 15.554,96 91.431,97 20.003,98 0.718,99 2.239,100 44.169,101 16.753,102 96.084,103 21.981,104 31,105 67,106 0.227,107 0.546,108 0.724,109 0.829,110 0.86,111 0.864,112 3.765,113 0.901,114 -5.35,115 -5.23,116 -4.89,117 45.9,118 2,122 5,132 14,133 5,134 3,136 1,138 1,141 2,143 1,148 1,149 1,150 18,151 1,152 2,153 10,156 1,158 1,161 23,162 2,165 3,166 10,171 2,174 16,175 2,177 3,178 12,179 1,183 2,185 9,186 3,188 2,189 12,191 1,193 3,195 7,196 1,198 2,199 17,204 1,206 8,209 1,210 12,211 1,217 6,220 3,221 14,223 1,227 6,231 14,232 1,239 4,243 3732,244 28.679,245 28.679,246 28.679,247 28.679,248 28.679,249 25.265,250 30.146,251 16.823,252 29.246,253 23.179,254 23.179,255 23.179,256 23.179,257 23.179,258 17.861,259 35.089,260 7.919,261 24.016,262 4.716,263 2.62,264 1.454,265 0.76,266 0.561,267 0.534,268 4.478,272 1,273 1381,274 3.808,275 121.164,276 690.783,279 223.438,282 2.184,283 39.726,285 0.75,286 0.67,287 0.83,288 0.7,289 0.5,290 0.83,291 1,292 0.75,293 90,294 627,295 4.59,296 3.706,297 6.76,298 4.17,299 3.22,300 4.511,301 1.437,302 11.117,303 3.14,304 4.573,305 3.618,306 6.685,307 4.152,308 3.163,309 4.293,310 1.2,311 10.802,312 3.053,313 4.126,314 3.22,315 6.342,316 3.849,317 2.889,318 3.663,319 0.86,320 9.507,321 2.774,322 4.047,323 3.124,324 6.082,325 3.634,326 2.671,327 3.561,328 0.8,329 8.816,330 2.593,331 3.898,332 2.87,333 5.821,334 3.616,335 2.649,336 3.247,337 0.293,338 8.082,339 2.531,340 3.767,341 2.792,342 5.579,343 3.366,344 2.403,345 3.181,347 7.088,348 2.338,349 3.762,350 2.625,351 5.339,352 3.345,353 2.344,354 3.145,356 6.836,357 2.308,358 3.424,359 2.324,360 5.18,361 3.065,362 2.101,363 2.712,365 6.202,366 2.02,367 3.282,368 2.281,369 5.013,370 2.978,371 2.027,372 2.464,374 5.924,375 1.916,376 3.003,377 1.934,378 4.542,379 2.575,380 1.599,381 2.189,383 4.495,384 1.555,385 2.95,386 1.847,387 4.452,388 2.448,389 1.455,390 2.084,392 4.012,393 1.434,394 2.858,395 1.637,396 4.232,397 2.409,398 1.426,399 1.979,401 3.626,402 1.395,403 2.701,404 1.575,405 3.844,406 2.278,407 1.304,408 1.763,410 2.957,411 1.265,412 2.56,413 1.342,414 3.648,415 2.138,416 1.165,417 1.575,419 2.78,420 1.129,421 2.5,422 1.244,423 3.598,424 2,425 1,426 1.5,428 2.298,429 1,430 19.933,431 0.475,432 1.024,433 0.024,434 57.5,435 1.369,436 30,437 0.714,438 27.5,439 0.655,440 38.027,441 0.905,442 43.667,443 0.59,444 51.313,445 1.222,446 11.481,447 0.273,448 8.925,449 0.213,450 0.1,452 0.361,454 0.774,455 1.3,456 0.758,457 1.051,458 0.658,459 0.927,460 0.808,461 1.071,462 0.833,463 0.905,464 0.462,465 0.867,466 0.974,467 0.982,468 0.953,469 0.936,470 0.7,471 0.932,472 0.973,473 1.159,474 1.005,475 1.094,476 1.138,477 1.063,478 0.967,479 1.061,480 0.947,481 0.975,482 1.043,483 0.956,484 1.125,485 1.1,486 1.039,487 1.038,488 1.07,489 1.018,490 1.45,491 0.992,492 1.167,493 0.979,494 1.547,495 1.012,496 1.107,497 1.056,498 1.141,499 1.074,500 1.317,501 1.114,502 8,503 0.341,504 5.111,505 2.722,506 2.803,507 1.997,508 1.246,509 0.74,510 0.504,511 0.491,512 31390,513 79734,514 2.129,515 43.2,516 3,517 24,518 1,520 1,522 3,524 1.813,525 2,526 3.817,527 -0.431,530 110.526,531 1.494,532 3.589,533 4.756,534 5.449,535 5.649,536 5.676,537 3.213,538 4.993,539 5.364,540 4.038,541 3477.06,542 9.491,543 62751.4,546 459.5,547 1.385,548 5.328,549 0.17,550 0.007,551 0.076,552 0.038,553 0.039,554 0.028,555 0.018,556 0.012,557 0.009,558 0.009,559 0.407,560 0.17,561 0.75,562 0.831,563 240.759,564 -0.031,565 -0.186,566 0.057,567 -0.048,568 -0.065,569 0.003,570 0.083,571 0.042,572 0.066,573 0.059,574 0.151,575 0.06,576 -0.042,577 0.083,578 -0.015,579 0.034,580 0.02,581 0.018,582 -0.001,583 -0.132,584 -0.055,585 -0.113,586 -0.076,587 -0.1,588 0.018,589 -0.034,590 0.034,591 -0.008,592 -0.02,593 0.011,594 -0.069,595 -0.055,596 -0.06,597 -0.081,598 -0.043,599 -0.069,600 -0.21,601 0.043,602 -0.165,603 -0.029,604 -0.171,605 -0.075,606 0.009,607 -0.079,608 -0.148,609 -0.088,610 -0.106,611 -0.138,612 2.617,613 6.742,614 0.786,615 54.136,616 1.001,617 1.117,618 4.116,619 16.939,620 0.682,621 3.871,622 4.22,623 4.533,624 4.828,625 5.118,626 5.263,627 5.447,628 5.587,629 5.737,630 5.858,631 8.896,632 0.653,633 560.7,634 3.871,635 5.434,636 6.304,637 7.198,638 8.089,639 8.989,640 9.887,641 10.791,642 11.694,643 12.6,644 5.4,648 1,649 1,650 1,652 1,653 2,654 15,655 1,658 8,659 1,660 28,663 1,664 1,665 1,667 1,669 74,670 30,671 4,672 47,673 79,674 34,675 25,676 8,677 14,678 2,679 6,680 7,684 2,688 27,689 7,691 2,692 2,695 2,699 32,700 7,701 1,702 8,704 1,705 4,706 0.833,707 4,712 1,713 5,716 1,729 1,731 5,734 2,737 42,739 1,740 5,742 1,745 2,749 5.4,751 1,752 2,754 1,755 21,756 14,757 9.167,758 4.615,759 4.388,760 1.486,761 1.002,762 7.899,763 13.418,764 4.159,765 4.785,766 5.418,767 6.039,768 6.627,769 6.989,770 7.422,771 7.807,772 8.174,773 8.379,774 0.9,775 72,776 15.602,777 6.763,778 7.738,779 29.796,780 24.821,781 2.238,782 94,785 364.904,786 208.539,787 24.933,789 103.973,792 208.539,793 468.877,794 24.933,795 17.65,796 16.14,797 141.715,798 117.701,799 44.24,800 11.771,801 353.133,803 364.904,804 233.473,805 103.973,807 329.591,808 139.286,810 40.774,811 175.913,812 16.786,814 364.904,815 128.906,816 208.539,817 364.904,818 49.174,819 167.513,821 120.759,822 364.904,823 128.906,824 208.539,825 0.583,826 0.346,827 0.191,828 0.111,829 33,830 15,831 0.089,832 7,833 1,834 1.061,835 5.045,836 445.72,837 0.061,838 33,839 218.477,841 27.863,842 11.907,843 5.755,844 1.6,845 127.007,846 28.941,847 4.832,850 5.856,851 1.944,852 42.683,853 702.35,854 63,855 25.705,858 -1.082,859 74.087,860 82.644,861 0.241,862 0.578,863 0.766,864 0.878,865 0.91,866 0.914,867 5.407,868 2.101,869 6.297,870 6.836,871 4.905,872 5.474,873 2.346,874 7.136,875 4.841,876 6.623,877 2.027,878 7.873,879 6.202,880 4.511,881 5.293,882 0.57,883 8.078,884 4.409,885 7.939,886 1.599,887 9.548,888 5.924,889 6.526,890 7.701,891 2.682,892 11.2,893 6.397,894 9.291,895 1.455,896 11.282,897 4.495,898 6.957,899 8.361,900 0.801,901 12.969,902 6.79,903 10.675,904 1.426,905 13.054,906 4.012,907 8.436,908 10.235,909 3.193,910 15.605,911 8.244,912 12.083,913 1.304,914 14.851,915 3.626,916 9.242,917 11.297,918 1.074,919 17.716,920 9.012,921 13.509,922 1.165,923 16.667,924 2.957,925 10.509,926 12.947,927 3.793,928 20.186,929 10.254,930 3.22,931 1,932 18.497,933 2.78,934 11.492,935 14.216,936 1.404,937 22.447,938 11.202,939 3.163,940 11.117,941 20.337,942 2.298,943 12.675,944 15.768,945 4.444,946 24.858,947 12.36,948 2.889,949 10.802,950 22.187,951 4.511,952 13.743,953 17.145,954 1.768,955 27.188,956 13.395,957 2.671,958 9.507,959 24.043,960 4.293,961 14.896,962 18.655,963 5.123,964 29.58,965 14.522,966 2.649,967 8.816,968 25.905,969 3.663,970 16.005,971 20.086,972 2.15,973 31.941,974 15.6,975 2.403,976 8.082,977 27.772,978 3.561,979 17.15,980 21.581,981 5.819,982 34.329,983 16.718,984 2.344,985 7.088,986 29.644,987 3.247,988 18.279,989 23.041,990 2.538,991 36.705,992 17.818,993 29109,994 46605,995 31.728,996 50.5,997 72.112,998 73.433,999 73.762,1000 71.281,1001 71.231,1002 94.287,1003 9.179,1004 208.787,1005 68.979,1006 5.59,1007 5.706,1008 6.53,1009 5.238,1010 5.22,1011 7.511,1012 2.873,1013 18.315,1014 5.14,1015 20.552,1016 1.534,1017 1.562,1018 1.569,1019 1.517,1020 1.516,1021 2.006,1022 0.195,1023 4.442,1024 1.468,1025 4.128,1026 4.158,1027 4.09,1028 4.065,1029 7.475,1030 4.066,1031 4.064,1032 4.093,1033 4.033,1034 3.963,1035 7.428,1036 3.975,1037 3.871,1038 3.898,1039 3.806,1040 3.807,1041 6.351,1042 3.804,1043 3.821,1044 3.876,1045 3.744,1046 3.652,1047 4.979,1048 3.669,1049 3.686,1050 3.732,1051 3.611,1052 3.532,1053 4.866,1054 3.546,1055 3.5,1056 3.535,1057 3.432,1058 3.371,1059 4.787,1060 3.376,1061 3.451,1062 3.513,1063 3.283,1064 3.253,1065 4.624,1066 3.242,1067 3.3,1068 3.317,1069 3.232,1070 3.099,1071 4.398,1072 3.126,1073 0.098,1074 0.079,1075 0.144,1076 0.089,1077 0.069,1078 4.59,1079 0.096,1080 3.706,1081 0.031,1082 6.76,1083 0.237,1084 4.17,1085 0.067,1086 3.22,1087 4.511,1088 1.437,1089 11.117,1090 3.14,1091 2.081,1092 2.065,1093 2.154,1094 2.148,1095 1.342,1096 2.15,1097 1.951,1098 1.924,1099 2.054,1100 2.051,1101 1.228,1102 2.05,1103 1.875,1104 1.85,1105 1.989,1106 1.985,1107 1.168,1108 1.985,1109 1.765,1110 1.705,1111 1.949,1112 1.959,1113 1.083,1114 1.965,1115 1.506,1116 1.475,1117 1.788,1118 1.716,1119 0.928,1120 1.738,1121 1.466,1122 1.403,1123 1.63,1124 1.656,1125 0.825,1126 1.644,1127 1.399,1128 1.357,1129 1.568,1130 1.58,1131 0.714,1132 1.566,1133 1.343,1134 1.287,1135 1.526,1136 1.537,1137 0.675,1138 1.538,1139 4.554,1140 5.894,1141 2.398,1142 7.433,1143 4.727,1144 9.06,1145 6.862,1146 10.734,1147 3.986,1151 9.804,1152 2.738,1154 5.723,1157 3.954,1159 48.32,1160 110.526,1161 265.593,1162 351.932,1163 403.235,1164 417.99,1165 419.99,1166 77.988,1167 9.031,1168 87.9,1169 87.9,1170 35,1171 13.119,1172 4.954,1173 4.087,1174 61.621,1175 226,1176 215,1177 0.131,1178 291.801,1179 507.66,1180 703.754,1181 122438,1183 29.217,1184 0.696,1185 0.563,1186 29.217,1187 23.657,1188 20.406,1189 0.434,1190 0.3,1191 13.938,1192 19.702,1193 13.589,1194 11.233,1195 20.406,1196 14.11,1197 18.542,1198 0.277,1199 0.155,1200 18.542,1201 10.415,1202 16.016,1203 0.174,1204 0.083,1205 16.016,1206 7.651,1207 13.545,1208 0.109,1209 0.044,1210 13.545,1211 5.46,1212 11.548,1213 0.07,1214 0.024,1215 11.548,1216 3.908,1217 0.208,1218 127.173,1219 0.178,1220 37.345,1221 0.352,1222 228,1223 639.937,1224 247.872,1225 620.299,1226 859.42,1227 582,1228 273,1229 644.082,1230 293.461,1231 652.17,1232 962.68,1233 616,1234 8.886}
{0 CHEMBL508004,1 1.544,2 14.667,3 5.469,4 29.909,5 169.973,6 7.572,7 0.56,8 4.485,9 4.593,10 4.068,11 4.015,12 5.603,13 4.007,14 5.026,15 5.188,16 4.432,17 4.399,18 6.147,19 4.378,20 5.276,21 5.466,22 4.518,23 4.565,24 6.361,25 4.513,26 5.358,27 5.566,28 4.516,29 4.613,30 6.357,31 4.541,32 5.423,33 5.642,34 4.541,35 4.637,36 6.446,37 4.569,38 5.413,39 5.624,40 4.601,41 4.647,42 6.461,43 4.59,44 5.46,45 5.662,46 4.627,47 4.677,48 6.564,49 4.627,50 5.472,51 5.66,52 4.642,53 4.719,54 6.671,55 4.653,56 0.053,57 1.152,58 15.735,59 7.246,60 13.244,61 9.115,62 0.479,63 1.892,64 30.806,65 11.525,66 54.756,67 15.054,68 0.878,69 2.345,70 41.955,71 15.003,72 83.852,73 19.915,74 0.625,75 2.508,76 45.957,77 16.972,78 67.911,79 23.132,80 0.807,81 2.637,82 50.679,83 17.378,84 102.135,85 23.735,86 0.747,87 2.667,88 48.901,89 17.092,90 71.674,91 23.389,92 0.921,93 2.7,94 52.014,95 17.764,96 94.941,97 23.445,98 0.904,99 2.693,100 51.318,101 19.54,102 146.043,103 25.606,104 36,105 70,106 0.232,107 0.57,108 0.773,109 0.878,110 0.894,111 0.894,112 3.832,113 0.9,114 -4.06,115 -4.01,116 -3.79,117 43.8,118 2,122 6,124 1,132 13,133 3,134 3,135 1,136 2,138 1,141 2,143 1,148 1,149 1,150 14,152 2,153 10,154 1,156 1,161 16,165 6,166 10,169 1,174 10,177 4,178 10,185 6,188 2,189 8,190 1,195 6,198 5,199 16,200 1,202 1,206 8,209 4,210 11,211 1,213 1,217 6,220 4,221 14,222 1,223 1,227 6,228 1,230 2,231 18,232 2,234 1,236 1,239 4,240 1,243 4736,244 30.747,245 30.747,246 30.747,247 30.747,248 30.747,249 27.263,250 32.511,251 18.26,252 31.472,253 24.688,254 24.688,255 24.688,256 24.688,257 24.688,258 19.348,259 38.793,260 8.647,261 25.796,262 4.778,263 2.527,264 1.174,265 0.478,266 0.369,267 0.369,268 4.544,272 1,273 1444,274 4.183,275 129.452,276 756.613,279 244.329,282 2.074,283 45.444,285 0.75,286 0.33,287 0.67,288 0.7,289 0.5,290 0.83,291 1,292 0.68,293 97.5,294 660,295 4.577,296 3.745,297 6.778,298 4.185,299 3.236,300 4.343,301 2.423,302 11.166,303 3.072,304 4.428,305 3.622,306 6.575,307 4.015,308 3.065,309 4.294,310 1.2,311 10.374,312 2.922,313 4.189,314 3.236,315 6.28,316 3.901,317 2.931,318 3.663,319 0.922,320 9.527,321 2.837,322 4.049,323 3.156,324 6,325 3.634,326 2.662,327 3.573,328 0.86,329 8.567,330 2.593,331 3.91,332 2.876,333 5.822,334 3.59,335 2.623,336 3.27,337 0.8,338 8.085,339 2.524,340 3.779,341 2.834,342 5.662,343 3.396,344 2.435,345 3.165,346 0.293,347 7.455,348 2.333,349 3.559,350 2.632,351 5.298,352 3.24,353 2.272,354 2.726,356 6.689,357 2.187,358 3.465,359 2.601,360 5.022,361 3.161,362 2.178,363 2.711,365 5.964,366 2.123,367 3.421,368 2.311,369 4.72,370 3.061,371 2.101,372 2.636,374 5.199,375 2,376 3.118,377 2.123,378 4.637,379 2.625,380 1.668,381 2.427,383 4.807,384 1.588,385 3.02,386 1.937,387 4.478,388 2.587,389 1.618,390 2.187,392 4.457,393 1.566,394 2.933,395 1.643,396 4.399,397 2.541,398 1.573,399 2.095,401 4.009,402 1.519,403 2.722,404 1.618,405 4.281,406 2.371,407 1.411,408 1.795,410 3.847,411 1.35,412 2.643,413 1.575,414 3.844,415 2.276,416 1.305,417 1.662,419 2.951,420 1.262,421 2.54,422 1.498,423 3.625,424 2.131,425 1.162,426 1.548,428 2.778,429 1.122,430 21.167,431 0.47,432 1.041,433 0.023,434 60,435 1.333,436 30,437 0.667,438 30,439 0.667,440 43.329,441 0.963,442 47.833,443 0.598,444 55.796,445 1.24,446 12.094,447 0.269,448 9.796,449 0.218,450 0.094,452 0.34,454 0.802,455 1.393,456 0.758,457 1.128,458 0.672,459 0.968,460 0.982,461 1.145,462 0.883,463 0.942,464 0.549,465 0.894,466 0.974,467 0.98,468 1.015,469 0.923,470 0.813,471 0.961,472 0.851,473 1.128,474 0.979,475 1.055,476 0.87,477 1.039,478 1.044,479 1.044,480 1,481 0.926,482 1.105,483 0.942,484 0.909,485 1.052,486 0.965,487 0.997,488 0.797,489 0.979,490 1.224,491 0.927,492 1.051,493 0.925,494 1.341,495 0.942,496 0.967,497 1.13,498 1.034,499 1.136,500 1.139,501 1.107,502 8.5,503 0.488,504 5.111,505 2.597,506 2.803,507 1.789,508 1.323,509 1.082,510 0.737,511 0.556,512 35423,513 92971,514 2.12,515 43.8,516 3,517 26,518 1,519 1,520 1,522 3,524 1.835,525 2,526 3.806,527 -0.407,530 123.485,531 1.544,532 3.795,533 5.148,534 5.844,535 5.953,536 5.953,537 3.206,538 5.208,539 5.46,540 3.989,541 3948.64,542 9.723,543 73781.6,546 505.754,547 1.352,548 5.431,549 0.17,550 0.007,551 0.073,552 0.035,553 0.038,554 0.024,555 0.017,556 0.013,557 0.009,558 0.007,559 0.394,560 0.33,561 0.75,562 1.118,563 260.929,564 -0.036,565 -0.238,566 0.061,567 -0.087,568 -0.06,569 -0.015,570 0.004,571 -0.025,572 0.033,573 0.037,574 0.107,575 0.039,576 0.051,577 0.097,578 -0.06,579 0.044,580 0.024,581 -0.017,582 0.013,583 -0.088,584 -0.027,585 -0.071,586 -0.058,587 -0.062,588 -0.063,589 -0.01,590 -0.017,591 0.038,592 -0.102,593 0.023,594 0.031,595 0.015,596 0.001,597 -0.038,598 0.013,599 -0.024,600 -0.075,601 0.117,602 -0.061,603 0.032,604 -0.089,606 0.093,607 -0.127,608 -0.072,609 -0.134,610 0.121,611 -0.132,612 2.727,613 7.2,614 0.733,615 60.872,616 1.005,617 1.122,618 2.827,619 7.992,620 0.672,621 3.932,622 4.263,623 4.554,624 4.844,625 5.13,626 5.288,627 5.489,628 5.677,629 5.846,630 5.981,631 8.72,632 0.645,633 605.75,634 3.932,635 5.485,636 6.344,637 7.229,638 8.11,639 9.004,640 9.896,641 10.796,642 11.694,643 12.598,644 6.3,648 1,649 1,650 1,652 2,653 2,654 15,655 2,658 7,659 1,660 28,663 1,665 1,667 1,669 80,670 30,671 3,672 50,673 85,674 35,675 24,676 6,677 12,678 1,679 6,680 7,684 2,685 1,687 1,688 26,689 9,691 2,692 2,695 2,699 35,700 9,701 1,702 10,704 1,705 5,706 0.833,707 5,708 1,712 1,713 5,716 1,721 1,729 1,730 1,731 5,734 2,737 45,739 1,740 6,742 2,744 1,745 2,749 6.3,751 1,752 2,753 1,754 1,755 22.5,756 14.95,757 9.889,758 4.865,759 4.136,760 1.459,761 0.98,762 9.337,763 13.148,764 4.205,765 4.802,766 5.392,767 5.988,768 6.559,769 6.906,770 7.333,771 7.755,772 8.148,773 8.349,774 0.9,775 74,776 16.722,777 7.187,778 7.759,779 31.816,780 26.217,781 2.259,782 101.667,785 400.217,786 211.575,787 41.719,789 114.973,792 211.575,793 515.19,794 41.719,795 17.65,796 23.219,797 132.239,798 157.258,799 49.673,800 11.771,801 376.675,803 400.217,804 253.294,805 114.973,807 364.904,808 139.286,809 11,810 59.044,811 160.679,812 33.571,814 400.217,815 156.692,816 211.575,817 400.217,818 52.639,819 167.084,821 148.544,822 400.217,823 156.692,824 211.575,825 0.578,826 0.333,827 0.182,828 0.105,829 33,830 15,831 0.118,832 10,833 1,834 1.061,835 5.227,836 489.509,837 0.061,838 33,839 243.133,841 30.629,842 13.717,843 6.978,844 1.929,845 154.793,846 29.31,847 9.473,850 5.387,851 1.91,852 42.683,853 768.484,854 66,855 25.437,858 -1.307,859 80.4,860 89.767,861 0.244,862 0.6,863 0.814,864 0.924,865 0.942,866 0.942,867 5.447,868 2.178,869 6.326,870 6.689,871 4.949,872 5.491,873 2.864,874 7.144,875 4.867,876 6.647,877 2.101,878 7.886,879 5.964,880 4.511,881 5.255,882 2.321,883 8.048,884 4.395,885 7.95,886 1.668,887 9.547,888 5.199,889 6.547,890 7.674,891 3.94,892 11.166,893 6.382,894 9.287,895 1.618,896 11.267,897 4.807,898 6.938,899 8.276,900 4.256,901 12.91,902 6.729,903 10.657,904 1.573,905 13.026,906 4.457,907 8.43,908 10.161,909 5.462,910 15.541,911 8.178,912 12.05,913 1.411,914 14.813,915 4.009,916 9.207,917 11.17,918 6.116,919 17.634,920 8.904,921 13.461,922 1.305,923 16.619,924 3.847,925 10.479,926 12.823,927 7.144,928 20.097,929 10.134,930 3.236,931 1.162,932 18.441,933 2.951,934 11.443,935 14.045,936 7.929,937 22.345,938 11.043,939 3.065,940 11.166,941 20.274,942 2.778,943 12.626,944 15.591,945 8.88,946 24.75,947 12.183,948 2.931,949 10.374,950 22.117,951 4.343,952 13.681,953 16.925,954 9.719,955 27.069,956 13.182,957 2.662,958 9.527,959 23.967,960 4.294,961 14.831,962 18.42,963 10.635,964 29.456,965 14.286,966 2.623,967 8.567,968 25.823,969 3.663,970 15.93,971 19.814,972 11.499,973 31.81,974 15.33,975 2.435,976 8.085,977 27.685,978 3.573,979 17.071,980 21.287,981 12.399,982 34.193,983 16.422,984 2.272,985 7.455,986 29.551,987 3.27,988 18.193,989 22.712,990 13.274,991 36.565,992 17.49,993 33105,994 53853,995 33.808,996 53.722,997 75.859,998 77.311,999 77.324,1000 74.834,1001 74.829,1002 97.684,1003 12.996,1004 215.482,1005 71.776,1006 5.577,1007 5.745,1008 6.548,1009 5.255,1010 5.236,1011 7.343,1012 4.104,1013 18.473,1014 5.072,1015 21.429,1016 1.517,1017 1.546,1018 1.546,1019 1.497,1020 1.497,1021 1.954,1022 0.26,1023 4.31,1024 1.436,1025 4.115,1026 4.153,1027 4.076,1028 4.013,1029 7.474,1030 4.021,1031 4.048,1032 4.082,1033 4.012,1034 3.955,1035 7.428,1036 3.965,1037 3.871,1038 3.901,1039 3.806,1040 3.807,1041 6.351,1042 3.804,1043 3.849,1044 3.895,1045 3.772,1046 3.682,1047 5.007,1048 3.698,1049 3.698,1050 3.738,1051 3.632,1052 3.544,1053 4.963,1054 3.562,1055 3.574,1056 3.59,1057 3.494,1058 3.35,1059 4.787,1060 3.368,1061 3.459,1062 3.527,1063 3.358,1064 3.259,1065 4.624,1066 3.283,1067 3.422,1068 3.47,1069 3.259,1070 3.249,1071 4.55,1072 3.24,1073 0.092,1074 0.075,1075 0.136,1076 0.084,1077 0.065,1078 4.577,1079 0.087,1080 3.745,1081 0.048,1082 6.778,1083 0.223,1084 4.185,1085 0.061,1086 3.236,1087 4.343,1088 2.423,1089 11.166,1090 3.072,1091 2.036,1092 2.01,1093 2.119,1094 2.136,1095 1.341,1096 2.133,1097 1.951,1098 1.924,1099 2.054,1100 2.051,1101 1.189,1102 2.05,1103 1.875,1104 1.85,1105 1.99,1106 2.001,1107 1.168,1108 1.995,1109 1.795,1110 1.741,1111 1.963,1112 1.963,1113 1.083,1114 1.972,1115 1.491,1116 1.453,1117 1.788,1118 1.744,1119 0.928,1120 1.738,1121 1.465,1122 1.431,1123 1.669,1124 1.716,1125 0.927,1126 1.708,1127 1.445,1128 1.39,1129 1.591,1130 1.647,1131 0.712,1132 1.63,1133 1.358,1134 1.31,1135 1.568,1136 1.542,1137 0.684,1138 1.549,1139 4.615,1140 5.943,1141 2.398,1142 7.465,1143 4.727,1144 9.076,1145 6.862,1146 10.736,1147 3.961,1151 9.201,1152 1.584,1154 11.289,1156 -0.411,1157 3.905,1159 51.583,1160 123.485,1161 303.58,1162 411.874,1163 467.49,1164 476.244,1165 476.244,1166 87.435,1167 9.012,1168 110.02,1169 110.02,1170 35,1171 13.118,1172 4.954,1173 4.087,1174 67.934,1175 232,1176 246,1177 0.138,1178 312.184,1179 544.75,1180 753.488,1181 114751,1183 31.338,1184 0.696,1185 0.562,1186 31.338,1187 25.297,1188 21.889,1189 0.438,1190 0.3,1191 14.767,1192 20.989,1193 14.414,1194 11.904,1195 21.889,1196 14.992,1197 19.719,1198 0.282,1199 0.157,1200 19.719,1201 11.01,1202 16.596,1203 0.177,1204 0.084,1205 16.596,1206 7.862,1207 14.016,1208 0.111,1209 0.045,1210 14.016,1211 5.638,1212 11.787,1213 0.07,1214 0.024,1215 11.787,1216 4.021,1217 0.216,1218 137.489,1219 0.172,1220 39.151,1221 0.381,1222 240,1223 713.317,1224 264.804,1225 681.243,1226 933.55,1227 640,1228 284,1229 686.535,1230 309.921,1231 692.422,1232 1017.48,1233 652,1234 9.301}
{0 CHEMBL509464,1 1.515,2 14.771,3 6.256,4 39.141,5 184.102,6 7.423,7 0.528,8 4.556,9 4.67,10 4.119,11 4.1,12 5.673,13 4.082,14 5.098,15 5.267,16 4.505,17 4.497,18 6.221,19 4.464,20 5.372,21 5.567,22 4.617,23 4.679,24 6.443,25 4.626,26 5.48,27 5.68,28 4.686,29 4.736,30 6.594,31 4.679,32 5.536,33 5.736,34 4.728,35 4.762,36 6.722,37 4.712,38 5.557,39 5.762,40 4.731,41 4.785,42 6.671,43 4.73,44 5.62,45 5.832,46 4.723,47 4.818,48 6.727,49 4.756,50 5.629,51 5.836,52 4.715,53 4.849,54 6.731,55 4.767,56 0.041,57 1.245,58 17.538,59 7.938,60 14.507,61 10.226,62 0.433,63 2.057,64 33.51,65 12.883,66 57.366,67 17.418,68 0.628,69 2.601,70 46.404,71 16.869,72 71.638,73 22.716,74 0.645,75 2.798,76 52.546,77 19.319,78 89.785,79 25.991,80 0.907,81 2.938,82 56.4,83 19.404,84 144.624,85 26.139,86 0.727,87 3.062,88 57.064,89 19.615,90 105.636,91 26.637,92 0.909,93 3.168,94 62.324,95 20.922,96 131.678,97 27.985,98 0.894,99 3.132,100 62.318,101 22.981,102 131.036,103 30.753,104 79,105 76,106 0.224,107 0.557,108 0.75,109 0.857,110 0.875,111 0.879,112 3.895,113 0.914,114 -4.93,115 -4.83,116 -4.53,117 43.7,118 4,122 4,124 2,132 14,133 5,134 3,136 1,138 1,141 3,143 1,148 1,149 1,150 18,151 1,152 2,153 10,156 2,158 3,161 24,162 2,165 4,166 10,169 1,171 2,174 16,175 2,177 4,178 14,179 1,181 1,183 2,185 9,186 3,188 3,189 14,191 2,193 3,195 7,196 1,198 3,199 21,202 1,204 3,206 8,209 2,210 16,211 1,213 1,215 2,217 6,220 3,221 19,222 1,223 1,225 3,226 1,227 10,230 1,231 22,232 1,234 2,235 1,236 6,239 8,243 5416,244 32.247,245 32.247,246 32.247,247 32.247,248 32.247,249 28.703,250 36.354,251 18.877,252 32.845,253 26.14,254 26.14,255 26.14,256 26.14,257 26.14,258 20.568,259 44.307,260 8.9,261 27.022,262 4.928,263 2.67,264 1.366,265 0.641,266 0.517,267 0.494,268 4.601,272 1,273 1539,274 4.69,275 137.687,276 800.289,279 257.787,282 2.101,283 55.665,285 0.75,286 0.5,287 0.67,288 0.7,289 0.5,290 0.83,291 1,292 0.71,293 103.5,294 709,295 4.592,296 3.88,297 6.805,298 4.207,299 3.252,300 4.511,301 1.96,302 11.234,303 3.146,304 4.577,305 3.618,306 6.694,307 4.152,308 3.17,309 4.294,310 1.437,311 10.843,312 3.086,313 4.255,314 3.582,315 6.658,316 4.03,317 3.068,318 3.663,319 1.197,320 10.679,321 2.938,322 4.051,323 3.215,324 6.106,325 3.642,326 2.678,327 3.586,328 0.86,329 8.877,330 2.6,331 3.95,332 3.12,333 5.918,334 3.627,335 2.649,336 3.325,337 0.8,338 8.158,339 2.585,340 3.823,341 2.87,342 5.821,343 3.528,344 2.552,345 3.205,346 0.357,347 8.052,348 2.465,349 3.764,350 2.796,351 5.579,352 3.347,353 2.379,354 3.16,355 0.127,356 7.087,357 2.335,358 3.712,359 2.626,360 5.318,361 3.343,362 2.343,363 2.997,365 6.765,366 2.294,367 3.423,368 2.424,369 5.136,370 3.09,371 2.125,372 2.711,374 6.051,375 2.05,376 3.275,377 2.309,378 5.014,379 3.058,380 2.101,381 2.415,383 5.901,384 1.996,385 3.024,386 2.218,387 4.65,388 2.748,389 1.77,390 2.191,392 4.813,393 1.721,394 2.982,395 1.94,396 4.494,397 2.57,398 1.593,399 2.087,401 4.397,402 1.552,403 2.939,404 1.848,405 4.442,406 2.445,407 1.447,408 2.066,410 3.958,411 1.432,412 2.817,413 1.641,414 4.235,415 2.399,416 1.421,417 1.876,419 3.639,420 1.385,421 2.698,422 1.575,423 3.844,424 2.278,425 1.303,426 1.752,428 2.959,429 1.265,430 22.667,431 0.472,432 1.309,433 0.027,434 62.75,435 1.307,436 31.5,437 0.656,438 31.25,439 0.651,440 50.693,441 1.056,442 51.133,443 0.588,444 62.373,445 1.299,446 12.412,447 0.259,448 10.71,449 0.223,450 0.147,452 0.384,454 0.762,455 1.342,456 0.785,457 1.093,458 0.642,459 0.964,460 0.742,461 1.131,462 0.809,463 0.944,464 0.47,465 0.887,466 1.007,467 0.975,468 0.973,469 0.93,470 0.812,471 0.933,472 1.007,473 1.104,474 0.932,475 1.028,476 1.168,477 0.978,478 1.173,479 1.098,480 0.994,481 0.968,482 1.305,483 0.951,484 1.145,485 1.102,486 1.03,487 1.015,488 1.062,489 0.994,490 1.357,491 0.95,492 1.099,493 0.927,494 1.412,495 0.953,496 1.091,497 1.083,498 1.041,499 1.051,500 1.27,501 1.046,502 10,503 0.68,504 5.778,505 3.41,506 3.554,507 2.483,508 1.527,509 1.343,510 0.931,511 0.789,512 40116,513 102537,514 2.074,515 44.8,516 3,517 24,518 1,520 2,522 9,524 1.85,525 1.92,526 3.812,527 0.065,530 131.765,531 1.515,532 3.773,533 5.077,534 5.802,535 5.925,536 5.948,537 3.215,538 5.377,539 5.556,540 4.008,541 4520.56,542 9.913,543 86794.5,546 560.536,547 1.477,548 5.505,549 0.189,550 0.009,551 0.076,552 0.041,553 0.041,554 0.028,555 0.017,556 0.015,557 0.011,558 0.009,559 0.435,560 0.17,561 0.75,562 1.105,563 282.19,564 -0.038,565 -0.176,566 0.05,567 -0.045,568 -0.068,569 0.004,570 0.113,571 -0.002,572 0.102,573 0.048,574 0.139,575 0.068,576 -0.035,577 0.114,578 -0.02,579 0.043,580 -0.024,581 0.02,582 0.025,583 -0.067,584 0.038,585 -0.044,586 -0.051,587 -0.011,588 0.002,589 -0.05,590 -0.002,591 -0.005,592 -0.007,593 -0.006,594 -0.067,595 -0.03,596 -0.049,597 -0.06,598 -0.025,599 -0.051,600 -0.162,601 0.096,602 -0.095,603 0.025,604 -0.133,605 -0.012,606 -0.011,607 -0.089,608 -0.058,609 -0.056,610 -0.079,611 -0.067,612 2.692,613 7.363,614 0.688,615 62.549,616 1.002,617 1.122,618 3.697,619 13.669,620 0.669,621 3.989,622 4.344,623 4.644,624 4.956,625 5.247,626 5.407,627 5.609,628 5.79,629 5.976,630 6.125,631 8.834,632 0.64,633 645.82,634 3.989,635 5.557,636 6.425,637 7.324,638 8.216,639 9.122,640 10.024,641 10.935,642 11.842,643 12.755,644 5.7,648 1,649 2,650 1,652 1,653 2,654 15,655 1,658 8,659 1,660 28,663 1,664 1,665 1,667 1,669 87,670 31,671 4,672 53,673 92,674 38,675 25,676 8,677 14,678 2,679 6,680 7,684 4,685 1,687 2,688 28,689 10,691 3,692 3,695 3,699 39,700 9,701 2,702 10,704 1,705 5,706 0.833,707 5,712 1,713 5,716 1,719 1,729 1,731 5,734 4,737 48,739 1,740 4,741 1,742 1,744 2,745 2,749 5.7,751 1,752 3,754 1,755 25,756 16.833,757 10.472,758 5.436,759 4.253,760 1.463,761 0.976,762 9.856,763 13.442,764 4.263,765 4.873,766 5.478,767 6.093,768 6.67,769 7.032,770 7.471,771 7.878,772 8.273,773 8.509,774 0.9,775 83,776 17.935,777 7.824,778 7.799,779 33.911,780 28.123,781 2.299,782 110.333,785 435.531,786 228.789,787 42.944,789 129.118,792 228.789,793 564.649,794 42.944,795 35.301,796 32.045,797 141.715,798 147.551,799 44.24,800 11.771,801 423.76,803 435.531,804 271.733,805 129.118,807 329.591,808 235.058,810 74.329,811 180.618,812 16.786,814 435.531,815 172.062,816 228.789,817 435.531,818 51.773,819 185.163,820 18.011,821 145.904,822 435.531,823 172.062,824 228.789,825 0.585,826 0.34,827 0.191,828 0.111,829 36,830 18,831 0.098,832 9,833 1,834 1.061,835 5.256,836 546.166,837 0.061,838 33,839 260.078,841 33.259,842 14.224,843 7.133,844 1.431,845 170.163,846 28.202,847 4.855,850 5.095,851 1.877,852 60.694,853 836.381,854 70,855 40.255,858 -1.677,859 87.167,860 97.597,861 0.235,862 0.586,863 0.788,864 0.9,865 0.92,866 0.923,867 5.521,868 2.343,869 6.428,870 7.087,871 5.03,872 5.563,873 2.836,874 7.277,875 4.97,876 6.738,877 2.125,878 8.011,879 6.765,880 4.691,881 5.407,882 1.738,883 8.242,884 4.6,885 8.053,886 2.101,887 9.694,888 6.051,889 6.661,890 7.764,891 3.539,892 11.371,893 6.536,894 9.403,895 1.77,896 11.435,897 5.901,898 7.124,899 8.429,900 3.175,901 13.158,902 6.964,903 10.784,904 1.593,905 13.213,906 4.813,907 8.581,908 10.277,909 4.517,910 15.81,911 8.392,912 12.189,913 1.447,914 15.017,915 4.397,916 9.409,917 11.339,918 4.593,919 17.938,920 9.182,921 13.611,922 1.421,923 16.84,924 3.958,925 10.668,926 12.976,927 5.652,928 20.423,929 10.413,930 3.252,931 1.303,932 18.677,933 3.639,934 11.668,935 14.242,936 5.987,937 22.7,938 11.375,939 3.17,940 11.234,941 20.525,942 2.959,943 12.851,944 15.787,945 6.879,946 25.125,947 12.529,948 3.068,949 10.843,950 22.383,951 4.511,952 13.931,953 17.161,954 7.363,955 27.467,956 13.573,957 2.678,958 10.679,959 24.247,960 4.294,961 15.089,962 18.668,963 8.159,964 29.871,965 14.7,966 2.649,967 8.877,968 26.118,969 3.663,970 16.208,971 20.097,972 8.727,973 32.242,974 15.784,975 2.552,976 8.158,977 27.993,978 3.586,979 17.359,980 21.589,981 9.468,982 34.64,983 16.904,984 2.379,985 8.052,986 29.873,987 3.325,988 18.496,989 23.048,990 10.083,991 37.024,992 18.008,993 37828,994 60718,995 35.024,996 58.245,997 81.726,998 83.524,999 83.955,1000 80.495,1001 80.465,1002 104.567,1003 13.476,1004 237.322,1005 78.108,1006 5.592,1007 5.88,1008 6.576,1009 5.276,1010 5.252,1011 7.511,1012 3.435,1013 18.669,1014 5.146,1015 27.803,1016 1.542,1017 1.576,1018 1.584,1019 1.519,1020 1.518,1021 1.973,1022 0.254,1023 4.478,1024 1.474,1025 4.133,1026 4.164,1027 4.095,1028 4.067,1029 7.475,1030 4.068,1031 4.064,1032 4.093,1033 4.033,1034 3.964,1035 7.432,1036 3.976,1037 3.871,1038 3.914,1039 3.806,1040 3.807,1041 7.423,1042 3.804,1043 3.864,1044 3.897,1045 3.796,1046 3.692,1047 6.351,1048 3.711,1049 3.711,1050 3.759,1051 3.646,1052 3.554,1053 4.979,1054 3.572,1055 3.639,1056 3.708,1057 3.513,1058 3.472,1059 4.866,1060 3.47,1061 3.5,1062 3.534,1063 3.425,1064 3.372,1065 4.787,1066 3.373,1067 3.451,1068 3.515,1069 3.283,1070 3.254,1071 4.623,1072 3.242,1073 0.087,1074 0.073,1075 0.128,1076 0.079,1077 0.061,1078 4.592,1079 0.085,1080 3.88,1081 0.037,1082 6.805,1083 0.212,1084 4.207,1085 0.059,1086 3.252,1087 4.511,1088 1.96,1089 11.234,1090 3.146,1091 2.081,1092 2.065,1093 2.154,1094 2.15,1095 1.347,1096 2.151,1097 1.951,1098 1.924,1099 2.054,1100 2.052,1101 1.237,1102 2.05,1103 1.875,1104 1.85,1105 1.989,1106 2.011,1107 1.168,1108 2,1109 1.801,1110 1.749,1111 1.965,1112 1.964,1113 1.093,1114 1.974,1115 1.636,1116 1.564,1117 1.897,1118 1.851,1119 1.083,1120 1.87,1121 1.506,1122 1.475,1123 1.788,1124 1.716,1125 0.928,1126 1.738,1127 1.467,1128 1.405,1129 1.63,1130 1.656,1131 0.828,1132 1.644,1133 1.403,1134 1.362,1135 1.568,1136 1.583,1137 0.714,1138 1.568,1139 4.673,1140 6.019,1141 2.398,1142 7.556,1143 4.727,1144 9.185,1145 6.862,1146 10.864,1147 7.687,1151 9.979,1152 1.335,1153 2.979,1154 5.751,1156 -0.989,1157 3.554,1159 55.637,1160 131.765,1161 328.258,1162 441.684,1163 504.762,1164 515.517,1165 517.517,1166 115.783,1167 9.189,1168 117,1169 117,1170 35,1171 13.269,1172 5,1173 4.17,1174 75.013,1175 252,1176 271,1177 0.141,1178 338.033,1179 594.01,1180 816.561,1181 140330,1183 33.949,1184 0.707,1185 0.573,1186 33.949,1187 27.512,1188 23.121,1189 0.436,1190 0.305,1191 15.944,1192 22.289,1193 15.469,1194 12.854,1195 23.121,1196 16.146,1197 21.375,1198 0.281,1199 0.161,1200 21.375,1201 12.259,1202 17.701,1203 0.172,1204 0.082,1205 17.701,1206 8.459,1207 15.284,1208 0.108,1209 0.044,1210 15.284,1211 6.143,1212 12.879,1213 0.068,1214 0.023,1215 12.879,1216 4.416,1217 0.22,1218 144.413,1219 0.169,1220 40.929,1221 0.392,1222 258,1223 738.005,1224 282.473,1225 712.343,1226 978.14,1227 666,1228 308,1229 727.042,1230 332.869,1231 734.739,1232 1083.64,1233 693,1234 9.959}
{0 CHEMBL61498,1 1.44,2 9.087,3 2.049,4 4.2,5 90.845,6 6.35,7 0.25,8 3.961,9 4.108,10 3.366,11 3.45,12 4.965,13 3.398,14 4.538,15 4.749,16 3.7,17 3.844,18 5.467,19 3.752,20 4.848,21 5.107,22 3.791,23 3.978,24 5.791,25 3.872,26 4.877,27 5.124,28 3.847,29 3.962,30 5.976,31 3.876,32 4.858,33 5.105,34 3.795,35 3.919,36 6.041,37 3.832,38 4.79,39 5.017,40 3.726,41 3.909,42 5.899,43 3.82,44 4.815,45 5.059,46 3.562,47 3.94,48 5.828,49 3.787,50 4.836,51 5.128,52 3.294,53 3.864,54 5.677,55 3.655,56 0.051,57 0.713,58 11.995,59 4.619,60 9.277,61 6.804,62 0.218,63 1.121,64 21.632,65 7.63,66 23.25,67 11.605,68 0.378,69 1.342,70 29.934,71 9.285,72 46.831,73 14.401,74 0.412,75 1.329,76 31.225,77 9.22,78 64.677,79 14.161,80 0.533,81 1.261,82 30.854,83 8.934,84 96.322,85 13.671,86 0.382,87 1.237,88 28.749,89 8.485,90 68.907,91 12.9,92 0.392,93 1.27,94 28.862,95 9.621,96 68.989,97 14.391,98 0.31,99 1.204,100 28.993,101 9.671,102 52.641,103 14.823,104 43,105 32,106 0.248,107 0.559,108 0.769,109 0.85,110 0.891,111 0.891,112 3.189,113 1.064,114 -3.07,115 -3.07,116 -2.95,117 36,118 2,119 5,122 1,124 2,132 4,133 1,134 1,141 2,145 1,146 1,147 1,150 8,152 1,153 5,156 1,158 3,161 7,163 2,165 1,166 3,169 1,171 3,174 5,176 1,178 8,180 2,181 2,183 2,185 4,188 1,189 9,191 1,193 3,195 3,199 5,204 5,206 6,208 3,210 3,212 1,213 1,214 1,215 3,216 1,217 10,219 2,221 2,225 2,227 9,229 1,231 1,236 1,239 7,241 1,243 821,244 15.483,245 15.483,246 15.483,247 15.483,248 15.483,249 14.496,250 16.28,251 9.443,252 15.609,253 11.742,254 11.742,255 11.742,256 11.742,257 11.742,258 10.158,259 17.101,260 4.365,261 11.938,262 4.204,263 2.399,264 1.18,265 0.71,266 0.47,267 0.47,268 3.847,270 1,271 1,272 1,273 420,274 4.123,275 51.088,276 64.984,278 98.246,282 1.323,283 27.351,284 1,285 1,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 49.5,294 209,295 4.494,296 3.938,297 6.989,298 4.263,299 3.299,300 3.962,301 1.99,302 11.893,303 3.178,304 3.834,305 3.585,306 5.908,307 3.504,308 2.506,309 3.131,310 1.907,311 8.052,312 2.496,313 3.696,314 3.044,315 5.608,316 3.484,317 2.483,318 2.86,319 0.592,320 7.261,321 2.476,322 3.192,323 2.356,324 4.998,325 3.052,326 2.073,327 2.24,328 0.149,329 5.724,330 2.021,331 2.932,332 2.081,333 4.427,334 2.672,335 1.691,336 2.083,338 4.14,339 1.657,340 2.827,341 1.832,342 4.243,343 2.488,344 1.484,345 1.905,347 3.675,348 1.487,349 2.671,350 1.772,351 3.626,352 2.415,353 1.41,354 1.674,356 3.001,357 1.41,358 2.378,359 1.381,360 3.52,361 2.115,362 1.127,363 1.294,365 2.572,366 1.107,367 1.766,368 1.043,369 3.275,370 1.587,371 0.594,372 0.656,374 1.288,375 0.586,376 1.711,377 0.817,378 2.748,379 1.487,380 0.49,381 0.562,383 0.928,384 0.487,385 1.391,386 0.632,387 2.592,388 1.292,389 0.29,390 0.31,392 0.409,393 0.289,394 0.776,395 0.245,396 2.273,397 0.61,398 -0.384,399 -0.407,401 -0.63,402 -0.379,403 0.734,404 0.127,405 2,406 0.478,407 -0.53,408 -0.596,410 -1.232,411 -0.526,412 0.675,413 -0.192,414 2,415 0.33,416 -0.709,417 -0.947,419 -1.749,420 -0.729,421 0.544,422 -0.696,423 1.816,424 0.12,425 -0.876,426 -1.163,428 -2.218,429 -0.872,430 10.867,431 0.472,432 0.507,433 0.022,434 23.5,435 1.022,436 9.5,437 0.413,438 14,439 0.609,440 22.806,441 0.992,442 26.933,443 0.539,444 17.083,445 0.743,446 4.215,447 0.183,448 6.864,449 0.298,450 0.19,452 0.313,454 0.751,455 1.431,456 0.975,457 1.238,458 0.638,459 1.14,460 0.584,461 1.325,462 0.937,463 1.194,464 0.55,465 1.119,466 1.048,467 0.974,468 0.944,469 0.924,470 1.027,471 0.913,472 1.374,473 1.032,474 0.981,475 0.979,476 1.389,477 0.931,478 1.494,479 0.963,480 1.003,481 0.901,482 1.479,483 0.89,484 1.8,485 1.098,486 1.206,487 1.019,488 1.826,489 1.035,490 1.192,491 1.106,492 1.246,493 1.173,494 1.239,495 1.217,496 0.93,497 0.998,498 1.123,499 1.08,500 0.894,501 1.121,502 4,503 0.053,504 2.444,505 2.042,506 1.597,507 0.729,508 0.664,509 0.313,510 0.19,511 0.08,512 4637,513 10206,514 1.946,515 54,516 8,517 8,520 3,521 2,522 6,524 1.666,525 1.792,526 3.131,527 0.989,528 1,529 1,530 71.997,531 1.44,532 3.245,533 4.463,534 4.934,535 5.174,536 5.174,537 2.666,538 4.437,539 4.484,540 3.271,541 827.641,542 7.772,543 9358.08,544 1,545 1,546 282.193,547 1.51,548 4.433,549 0.167,550 0.009,551 0.076,552 0.06,553 0.046,554 0.022,555 0.021,556 0.013,557 0.011,558 0.007,559 0.431,560 0.33,561 1,562 2.098,563 106.352,564 -0.05,565 -0.072,566 0.019,567 -0.003,568 -0.055,569 0.016,570 0.161,571 -0.139,572 0.042,573 -0.083,574 0.043,575 -0.046,576 0.007,577 0.073,578 0.061,579 0.057,580 -0.056,581 0.067,582 -0.01,583 -0.006,584 0.06,585 -0.013,586 -0.003,587 0.03,588 0.033,589 0.029,590 0.053,591 0.053,592 0.119,593 0.058,594 -0.251,595 -0.049,596 -0.142,597 -0.031,598 -0.164,599 -0.067,600 -0.099,601 -0.067,602 -0.249,603 -0.153,604 -0.076,605 -0.217,606 -0.109,607 -0.054,608 -0.172,609 -0.108,610 -0.078,611 -0.143,612 1.791,613 5.688,614 0.391,615 20.178,616 0.991,617 1.138,618 1.839,619 3.382,620 0.621,621 3.219,622 3.497,623 3.761,624 4.043,625 4.248,626 4.331,627 4.394,628 4.419,629 4.22,630 4.06,631 5.384,632 0.576,633 317.48,634 3.219,635 4.727,636 5.565,637 6.441,638 7.317,639 8.213,640 9.106,641 10.012,642 10.915,643 11.826,644 6,645 1,649 2,654 4,658 2,660 6,669 50,670 8,671 1,672 24,673 51,674 18,675 6,676 2,677 4,679 2,680 3,684 2,685 2,687 7,688 8,689 10,691 2,692 2,695 2,696 1,697 1,699 27,700 5,701 3,702 5,705 3,706 0.5,707 2,712 1,713 1,715 1,719 1,720 1,725 1,731 1,734 2,737 23,738 1,740 6,741 1,744 2,745 1,749 4,752 2,755 12.833,756 9.117,757 5.389,758 3.444,759 1.333,760 1.202,761 0.924,762 6.461,763 7.938,764 3.401,765 3.839,766 4.273,767 4.761,768 5.218,769 5.348,770 5.604,771 5.86,772 5.762,773 5.693,774 1,775 34,776 8.616,777 3.604,778 7.797,779 16.568,780 13.473,781 2.297,782 52.833,785 282.506,786 85.685,787 54.032,789 50.29,792 85.685,793 332.796,794 54.032,795 17.65,796 68.811,797 37.905,798 59.699,799 5.942,801 282.506,803 282.506,804 139.718,805 50.29,807 211.88,808 120.916,810 86.461,811 53.257,814 282.506,815 104.322,816 85.685,817 282.506,818 30.13,819 58.68,820 18.011,821 83.187,822 282.506,823 104.322,824 85.685,825 0.559,826 0.328,827 0.179,828 0.104,829 13,830 7,831 0.137,832 7,833 1,834 1.222,835 3.374,836 175.694,837 0.222,838 9,839 104.042,841 17.803,842 8.347,843 4.257,845 104.322,846 7.728,850 1.887,852 50.908,853 472.514,854 29,855 25.211,858 -0.145,859 49.563,860 56.896,861 0.255,862 0.575,863 0.791,864 0.874,865 0.917,866 0.917,867 4.63,868 1.127,869 5.541,870 3.001,871 4.174,872 4.522,873 2.659,874 6.368,875 4.14,876 5.778,877 0.594,878 7.109,879 2.572,880 3.761,881 4.248,882 2.221,883 7.361,884 3.702,885 7.057,886 0.49,887 8.788,888 1.288,889 5.759,890 6.499,891 3.67,892 10.521,893 5.671,894 8.373,895 0.29,896 10.535,897 0.928,898 6.217,899 7.056,900 3.797,901 12.414,902 6.088,903 9.728,904 -0.384,905 12.326,906 0.409,907 7.686,908 8.822,909 4.864,910 15.11,911 7.528,912 11.11,913 -0.53,914 14.15,915 -0.63,916 8.55,917 9.766,918 5.247,919 17.363,920 8.343,921 12.514,922 -0.709,923 15.998,924 -1.232,925 9.825,926 11.338,927 6.13,928 19.91,929 9.585,930 3.299,931 -0.876,932 17.864,933 -1.749,934 10.874,935 12.476,936 6.645,937 22.302,938 10.584,939 2.506,940 11.893,941 19.745,942 -2.218,943 12.084,944 13.958,945 7.432,946 24.8,947 11.755,948 2.483,949 8.052,950 21.637,951 3.962,952 13.213,953 15.199,954 8.018,955 27.245,956 12.837,957 2.073,958 7.261,959 23.538,960 3.131,961 14.404,962 16.634,963 8.753,964 29.728,965 13.988,966 1.691,967 5.724,968 25.447,969 2.86,970 15.568,971 17.932,972 9.379,973 32.192,974 15.108,975 1.484,976 4.14,977 27.362,978 2.24,979 16.756,980 19.342,981 10.086,982 34.67,983 16.255,984 1.41,985 3.675,986 29.283,987 2.083,988 17.935,989 20.674,990 10.733,991 37.141,992 17.392,993 4877,994 7341,995 15.315,996 31.063,997 35.201,998 36.495,999 37.35,1000 34.905,1001 34.897,1002 41.357,1003 9.275,1004 97.884,1005 34.39,1006 5.444,1007 5.938,1008 6.899,1009 5.275,1010 5.299,1011 6.962,1012 3.469,1013 19.181,1014 5.178,1015 13.345,1016 1.467,1017 1.521,1018 1.556,1019 1.454,1020 1.454,1021 1.723,1022 0.386,1023 4.079,1024 1.433,1025 4.036,1026 4.07,1027 3.983,1028 3.94,1029 7.432,1030 3.945,1031 3.736,1032 3.797,1033 3.616,1034 3.592,1035 7.423,1036 3.588,1037 3.708,1038 3.778,1039 3.57,1040 3.546,1041 4.999,1042 3.537,1043 3.528,1044 3.579,1045 3.395,1046 3.372,1047 4.748,1048 3.374,1049 3.333,1050 3.397,1051 3.199,1052 3.11,1053 4.237,1054 3.117,1055 3.195,1056 3.286,1057 2.998,1058 2.998,1059 4.022,1060 2.986,1061 2.992,1062 3.096,1063 2.782,1064 2.78,1065 3.981,1066 2.769,1067 2.935,1068 2.997,1069 2.748,1070 2.699,1071 3.866,1072 2.705,1073 0.187,1074 0.164,1075 0.291,1076 0.178,1077 0.137,1078 4.494,1079 0.165,1080 3.938,1081 0.083,1082 6.989,1083 0.496,1084 4.263,1085 0.132,1086 3.299,1087 3.962,1088 1.99,1089 11.893,1090 3.178,1091 1.888,1092 1.862,1093 2.003,1094 1.982,1095 1.26,1096 1.987,1097 1.749,1098 1.695,1099 1.978,1100 1.941,1101 1.241,1102 1.952,1103 1.704,1104 1.637,1105 1.96,1106 1.896,1107 1.177,1108 1.921,1109 1.559,1110 1.503,1111 1.755,1112 1.765,1113 1.001,1114 1.771,1115 1.293,1116 1.225,1117 1.601,1118 1.552,1119 0.758,1120 1.569,1121 1.206,1122 1.115,1123 1.551,1124 1.45,1125 0.737,1126 1.49,1127 0.985,1128 0.91,1129 1.253,1130 1.29,1131 0.354,1132 1.286,1133 0.881,1134 0.817,1135 1.182,1136 1.168,1137 0.248,1138 1.18,1139 3.892,1140 5.176,1141 2.398,1142 6.661,1143 4.844,1144 8.247,1145 7.066,1146 9.896,1147 4.046,1150 5.933,1152 4.206,1153 2.948,1156 -0.625,1157 1.645,1159 28.815,1160 71.997,1161 162.244,1162 223.173,1163 246.683,1164 258.683,1165 258.683,1166 63.592,1167 6.605,1168 75.43,1169 75.43,1170 11,1171 12.343,1172 3.17,1173 2.585,1174 44.862,1175 69,1176 96,1177 0.315,1178 182.384,1179 321.72,1180 436.777,1181 5296,1183 16.82,1184 0.731,1185 0.611,1186 16.82,1187 14.048,1188 11.079,1189 0.462,1190 0.355,1191 8.43,1192 10.751,1193 8.196,1194 6.885,1195 11.079,1196 8.513,1197 9.385,1198 0.293,1199 0.192,1200 9.385,1201 6.129,1202 7.654,1203 0.182,1204 0.103,1205 7.654,1206 4.338,1207 6.204,1208 0.111,1209 0.051,1210 6.204,1211 2.877,1212 4.923,1213 0.071,1214 0.028,1215 4.923,1216 1.938,1217 0.476,1218 68.871,1219 0.256,1220 22.287,1221 0.92,1222 112,1223 296.761,1224 122.257,1225 286.117,1226 383.24,1227 266,1228 130,1229 274.47,1230 140.231,1231 275.495,1232 404.51,1233 261,1234 8.155}
{0 CHEMBL70728,1 1.515,2 9.517,3 5.406,4 29.223,5 115.189,6 8.509,7 0.667,8 3.967,9 4.07,10 3.659,11 3.638,12 5.1,13 3.61,14 4.466,15 4.593,16 4.054,17 4.05,18 5.587,19 4.002,20 4.775,21 4.951,22 4.168,23 4.201,24 5.878,25 4.133,26 4.799,27 4.992,28 4.104,29 4.17,30 5.869,31 4.096,32 4.802,33 4.996,34 4.176,35 4.175,36 5.911,37 4.105,38 4.834,39 5.022,40 4.19,41 4.201,42 5.99,43 4.12,44 4.828,45 5.037,46 4.096,47 4.136,48 5.981,49 4.036,50 4.625,51 4.832,52 3.819,53 3.97,54 5.699,55 3.856,56 0.02,57 0.623,58 7.247,59 3.755,60 6.564,61 4.658,62 0.077,63 1.029,64 13.249,65 6.52,66 16.518,67 8.26,68 0.235,69 1.412,70 24.064,71 9.506,72 38.82,73 11.941,74 0.211,75 1.465,76 24.535,77 9.579,78 35.283,79 11.856,80 0.247,81 1.44,82 24.953,83 9.957,84 38.197,85 12.722,86 0.272,87 1.452,88 26.843,89 10.507,90 48.876,91 13,92 0.355,93 1.403,94 31.847,95 11.125,96 64.879,97 13.753,98 0.237,99 1.131,100 26.312,101 9.287,102 43.993,103 11.629,104 5,105 47,106 0.253,107 0.572,108 0.718,109 0.856,110 0.89,111 0.89,112 3.409,113 0.896,114 -5.26,115 -5.15,116 -4.81,117 51.1,119 1,124 1,132 12,133 4,134 2,138 1,139 1,140 1,141 1,150 14,153 3,156 1,158 5,161 17,165 1,166 5,169 1,171 6,174 15,178 7,183 3,185 10,189 8,191 1,193 4,195 14,199 5,202 1,203 1,204 3,206 16,210 6,215 5,217 16,221 2,225 5,227 15,236 3,239 15,243 1246,244 20.016,245 20.016,246 20.016,247 20.016,248 20.016,249 17.095,250 16.066,251 11.819,252 20.284,253 16.335,254 16.335,255 16.335,256 16.335,257 16.335,258 11.95,259 20.647,260 5.659,261 16.819,262 4.039,263 2.125,264 1.247,265 0.417,266 0.213,267 0.213,268 4.123,269 1,271 1,272 1,273 618,274 2.449,275 52.973,276 207.331,277 71.97,278 101.231,280 121.42,282 1.36,283 23.061,285 1,286 1,287 1,288 0.6,290 1,291 1,292 0.8,293 60.833,294 276,295 4.544,296 3.773,297 6.727,298 4.168,299 3.189,300 4.474,301 1.958,302 10.999,303 3.12,304 4.502,305 3.226,306 6.538,307 4.05,308 3.064,309 4.139,310 0.639,311 10.319,312 3.022,313 3.976,314 3.132,315 5.989,316 3.646,317 2.65,318 3.548,319 0.141,320 8.469,321 2.633,322 3.89,323 2.882,324 5.8,325 3.533,326 2.565,327 3.138,329 7.959,330 2.482,331 3.456,332 2.52,333 5.114,334 3.017,335 2.11,336 2.79,338 5.997,339 1.965,340 3.38,341 2.305,342 4.957,343 2.928,344 1.954,345 2.688,347 5.727,348 1.83,349 3.305,350 2.047,351 4.764,352 2.835,353 1.862,354 2.578,356 5.088,357 1.735,358 3.046,359 1.699,360 4.206,361 2.518,362 1.546,363 2.318,365 3.769,366 1.501,367 2.774,368 1.546,369 3.949,370 2.332,371 1.336,372 1.889,374 3.11,375 1.328,376 2.678,377 1.33,378 3.844,379 2.226,380 1.224,381 1.734,383 3.082,384 1.221,385 2.589,386 1.21,387 3.578,388 2.086,389 1.102,390 1.567,392 2.71,393 1.078,394 2.5,395 1,396 3.416,397 2,398 1,399 1.5,401 2.136,402 1,403 2.201,404 0.984,405 3.247,406 1.697,407 0.728,408 1.033,410 1.882,411 0.703,412 1.948,413 0.802,414 3.122,415 1.476,416 0.5,417 0.693,419 1.256,420 0.486,421 1.506,422 0.66,423 2.935,424 1.093,425 0.176,426 0.218,428 0.43,429 0.145,430 14.248,431 0.491,432 0.657,433 0.023,434 42,435 1.448,436 23.5,437 0.81,438 18.5,439 0.638,440 21.931,441 0.756,442 28.352,443 0.603,444 31.712,445 1.094,446 8.365,447 0.288,448 5.821,449 0.201,450 0.074,452 0.351,454 0.687,455 1.01,456 0.593,457 0.779,458 0.581,459 0.753,460 0.64,461 1.168,462 0.712,463 0.965,464 0.607,465 0.948,466 0.998,467 1.089,468 0.937,469 0.987,470 0.986,471 0.975,472 1.212,473 1.076,474 0.915,475 0.967,476 1.163,477 0.989,478 0.883,479 1.044,480 0.749,481 0.976,482 0.972,483 0.944,484 1.23,485 1.007,486 0.968,487 0.984,488 1.417,489 0.989,490 1.315,491 0.93,492 1.133,493 0.991,494 1.402,495 0.972,496 1.311,497 0.892,498 1.261,499 1.013,500 1.376,501 1.014,502 5,503 0.089,504 3.333,505 1.917,506 1.762,507 0.976,508 0.831,509 0.437,510 0.321,511 0.122,512 10347,513 27759,514 2.193,515 38.3,517 13,518 1,520 2,522 2,524 1.727,525 2.096,526 3.227,527 0.16,530 71.213,531 1.515,532 3.429,533 4.307,534 5.137,535 5.342,536 5.342,537 2.641,538 4.185,539 4.831,540 3.37,541 1368.15,542 8.456,543 17775,546 261.066,547 1.247,548 4.809,549 0.152,550 0.005,551 0.071,552 0.038,553 0.037,554 0.02,555 0.017,556 0.01,557 0.009,558 0.005,559 0.364,560 0.5,561 0.88,562 0.434,563 143.777,564 -0.056,565 0.019,566 0.017,567 0.053,568 -0.067,569 0.057,570 0.064,571 -0.152,572 -0.023,573 -0.102,574 0.002,575 -0.099,576 -0.001,577 -0.064,578 -0.063,579 -0.062,580 -0.022,581 -0.059,582 -0.157,583 -0.029,584 -0.08,585 -0.043,586 -0.105,587 -0.065,588 0.115,589 -0.03,590 0.094,591 -0.033,592 0.083,593 0.004,594 -0.012,595 -0.018,596 -0.003,597 -0.019,598 -0.027,599 -0.04,600 -0.033,601 0.029,602 -0.001,603 0.027,604 0.036,605 0.033,606 -0.174,607 0.044,608 -0.127,609 0.013,610 -0.138,611 0.002,612 1.879,613 6.04,614 0.897,615 23.339,616 1.001,617 1.106,618 4.027,619 16.216,620 0.732,621 3.526,622 3.871,623 4.19,624 4.5,625 4.779,626 4.905,627 5.075,628 5.226,629 5.313,630 5.451,631 5.843,632 0.698,633 399.9,634 3.526,635 5.081,636 5.953,637 6.847,638 7.738,639 8.637,640 9.535,641 10.437,642 11.337,643 12.24,644 6.4,649 1,650 1,651 1,653 2,654 13,656 1,658 5,660 22,661 1,668 1,669 47,670 24,671 3,672 33,673 51,674 24,675 20,676 6,677 12,678 1,679 5,680 7,681 1,685 1,687 2,688 22,689 2,691 2,692 1,694 1,695 2,699 18,700 3,701 2,702 5,703 1,705 3,706 0.6,707 1,710 1,712 1,713 3,714 1,715 1,717 1,719 1,731 3,735 1,737 29,740 1,741 1,744 1,748 1,749 2.1,752 1,755 13.833,756 8.426,757 6.25,758 2.791,759 4.09,760 1.507,761 1.057,762 4.608,763 12.155,764 3.85,765 4.491,766 5.125,767 5.743,768 6.285,769 6.563,770 6.988,771 7.378,772 7.607,773 8.02,774 1,775 51,776 10.728,777 4.715,778 7.67,779 20.56,780 17.479,781 2.17,782 62.944,785 188.338,786 153.289,787 51.582,788 39.149,789 25.145,792 153.289,793 252.631,794 51.582,796 20.545,797 122.762,798 32.606,799 51.958,800 13.915,801 176.567,802 39.149,803 188.338,804 204.871,805 25.145,806 39.149,807 164.795,808 48.687,810 54.116,811 150.755,812 39.149,814 188.338,815 76.727,816 192.438,817 188.338,818 30.527,819 122.762,820 34.796,821 81.079,822 188.338,823 76.727,824 192.438,825 0.584,826 0.347,827 0.198,828 0.115,829 25,830 10,831 0.059,832 3,833 2,834 1.154,835 3.985,836 277.888,837 0.154,838 26,839 136.881,841 18.019,842 7.415,843 3.428,844 2.167,845 59.941,846 25.433,848 3.278,850 4.191,852 34.796,853 457.503,854 46,855 13.04,857 4.923,858 0.649,859 47.025,860 51.97,861 0.273,862 0.617,863 0.775,864 0.925,865 0.962,866 0.962,867 5.085,868 1.546,869 5.938,870 5.088,871 4.554,872 5.179,873 2.118,874 6.772,875 4.5,876 6.305,877 1.336,878 7.505,879 3.769,880 4.111,881 4.934,882 1.593,883 7.695,884 4.016,885 7.619,886 1.224,887 9.174,888 3.11,889 6.163,890 7.417,891 3.05,892 10.833,893 6.07,894 8.97,895 1.102,896 10.904,897 3.082,898 6.567,899 8.038,900 3.114,901 12.606,902 6.447,903 10.354,904 1,905 12.674,906 2.71,907 8.066,908 9.955,909 4.221,910 15.244,911 7.941,912 11.762,913 0.728,914 14.471,915 2.136,916 8.862,917 11.004,918 4.564,919 17.362,920 8.717,921 13.19,922 0.5,923 16.288,924 1.882,925 10.138,926 12.676,927 5.481,928 19.827,929 9.983,930 3.189,931 0.176,932 18.119,933 1.256,934 11.118,935 13.942,936 5.969,937 22.091,938 10.943,939 3.064,940 10.999,941 19.96,942 0.43,943 12.305,944 15.504,945 6.78,946 24.496,947 12.116,948 2.65,949 10.319,950 21.811,951 4.474,952 13.37,953 16.878,954 7.348,955 26.822,956 13.162,957 2.565,958 8.469,959 23.668,960 4.139,961 14.523,962 18.391,963 8.098,964 29.207,965 14.298,966 2.11,967 7.959,968 25.531,969 3.548,970 15.628,971 19.819,972 8.712,973 31.562,974 15.383,975 1.954,976 5.997,977 27.398,978 3.138,979 16.77,980 21.312,981 9.428,982 33.942,983 16.507,984 1.862,985 5.727,986 29.27,987 2.79,988 17.894,989 22.767,990 10.067,991 36.31,992 17.611,993 9527,994 15738,995 22.77,996 34.421,997 50.769,998 51.487,999 50.918,1000 50.123,1001 50.011,1002 68.617,1003 5.476,1004 145.864,1005 48.494,1006 5.454,1007 5.773,1008 6.529,1009 5.204,1010 5.189,1011 7.474,1012 3.434,1013 18.183,1014 5.12,1015 9.581,1016 1.538,1017 1.56,1018 1.543,1019 1.519,1020 1.515,1021 2.079,1022 0.166,1023 4.42,1024 1.47,1025 4.138,1026 4.171,1027 4.103,1028 4.055,1029 7.428,1030 4.06,1031 4.009,1032 4.036,1033 4.031,1034 3.944,1035 4.99,1036 3.945,1037 3.826,1038 3.856,1039 3.819,1040 3.768,1041 4.944,1042 3.761,1043 3.609,1044 3.644,1045 3.622,1046 3.483,1047 4.776,1048 3.487,1049 3.383,1050 3.438,1051 3.338,1052 3.236,1053 4.491,1054 3.244,1055 3.154,1056 3.202,1057 3.201,1058 3.006,1059 4.307,1060 3.017,1061 3.061,1062 3.127,1063 3.099,1064 2.889,1065 4.209,1066 2.893,1067 2.873,1068 2.925,1069 2.88,1070 2.772,1071 3.821,1072 2.759,1073 0.138,1074 0.114,1075 0.204,1076 0.126,1077 0.097,1078 4.544,1079 0.136,1080 3.773,1081 0.059,1082 6.727,1083 0.333,1084 4.168,1085 0.095,1086 3.189,1087 4.474,1088 1.958,1089 10.999,1090 3.12,1091 1.962,1092 1.941,1093 2.05,1094 2.034,1095 1.237,1096 2.042,1097 1.938,1098 1.916,1099 2.033,1100 2.015,1101 1.158,1102 2.022,1103 1.829,1104 1.803,1105 1.925,1106 1.927,1107 1.039,1108 1.93,1109 1.678,1110 1.633,1111 1.831,1112 1.843,1113 1.004,1114 1.844,1115 1.383,1116 1.333,1117 1.525,1118 1.619,1119 0.584,1120 1.596,1121 1.125,1122 1.092,1123 1.274,1124 1.312,1125 0.37,1126 1.299,1127 1.057,1128 0.999,1129 1.232,1130 1.252,1131 0.301,1132 1.266,1133 0.886,1134 0.821,1135 1.181,1136 1.062,1137 0.218,1138 1.107,1139 4.205,1140 5.541,1141 2.398,1142 7.071,1143 4.844,1144 8.686,1145 7.034,1146 10.346,1148 6.264,1152 0.508,1153 3.038,1156 -0.546,1159 32.821,1160 71.213,1161 161.186,1162 202.436,1163 241.456,1164 251.066,1165 251.066,1166 43.049,1167 8.065,1168 57.25,1169 57.25,1170 30,1171 12.761,1172 4.644,1173 3.807,1174 39.266,1175 102,1176 102,1177 0.189,1178 201.603,1179 343.68,1180 483.671,1181 36854,1182 2.1,1183 19.794,1184 0.683,1185 0.561,1186 20.294,1187 16.279,1188 14.187,1189 0.43,1190 0.299,1191 9.444,1192 13.625,1193 9.221,1194 7.593,1195 14.475,1196 9.857,1197 12.894,1198 0.274,1199 0.16,1200 13.303,1201 7.539,1202 11.257,1203 0.173,1204 0.084,1205 11.519,1206 5.453,1207 9.703,1208 0.109,1209 0.045,1210 9.923,1211 3.967,1212 8.401,1213 0.071,1214 0.024,1215 8.691,1216 2.88,1217 0.287,1218 90.143,1219 0.21,1220 26.867,1221 0.551,1222 160,1223 414.25,1224 183.562,1225 443.831,1226 610.58,1227 416,1228 192,1229 436.189,1230 210.496,1231 456.496,1232 672.25,1233 433,1234 5.469}
{0 CHEMBL9387,1 1.505,2 10.333,3 4.171,4 17.399,5 115.681,6 7.663,7 0.545,8 4.045,9 4.164,10 3.639,11 3.628,12 5.197,13 3.609,14 4.542,15 4.704,16 4,17 4.002,18 5.696,19 3.964,20 4.817,21 4.997,22 4.15,23 4.177,24 5.981,25 4.131,26 4.905,27 5.105,28 4.154,29 4.167,30 6.089,31 4.122,32 4.934,33 5.137,34 4.151,35 4.184,36 6.184,37 4.134,38 4.941,39 5.157,40 4.091,41 4.147,42 6.107,43 4.088,44 4.899,45 5.12,46 3.93,47 4.053,48 6.099,49 3.983,50 4.764,51 4.999,52 3.78,53 3.911,54 5.926,55 3.833,56 0.02,57 0.755,58 9.7,59 4.419,60 7.882,61 5.681,62 0.276,63 1.219,64 17.813,65 7.241,66 24.959,67 9.691,68 0.314,69 1.552,70 24.739,71 9.498,72 45.655,73 12.537,74 0.312,75 1.643,76 28.543,77 10.209,78 57.36,79 13.485,80 0.516,81 1.699,82 29.614,83 10.07,84 81.514,85 13.398,86 0.254,87 1.649,88 30.519,89 10.899,90 55.271,91 14.509,92 0.402,93 1.542,94 30.27,95 10.133,96 79.02,97 13.079,98 0.328,99 1.317,100 27.086,101 9.366,102 66.74,103 12.338,104 17,105 46,106 0.248,107 0.547,108 0.686,109 0.818,110 0.875,111 0.884,112 3.441,113 0.879,114 -5.11,115 -5.01,116 -4.69,117 46.2,118 1,121 1,125 1,132 13,133 3,134 2,140 1,141 1,142 1,150 15,152 1,153 4,156 3,157 1,158 2,161 17,165 2,166 5,169 2,171 2,174 11,177 1,178 10,181 1,183 6,185 7,188 2,189 9,191 2,193 6,195 8,199 11,204 8,206 7,210 13,215 5,217 4,221 11,225 4,227 5,231 5,236 1,239 12,243 1486,244 20.275,245 20.275,246 20.275,247 20.275,248 20.275,249 17.655,250 22.022,251 12.065,252 20.499,253 16.3,254 16.3,255 16.3,256 16.3,257 16.3,258 12.333,259 32.105,260 5.76,261 16.642,262 4.195,263 2.382,264 1.536,265 0.741,266 0.39,267 0.337,268 4.137,271 1,272 1,273 672,274 3.082,276 252.924,277 82.819,280 139.998,282 1.467,283 27.738,285 1,286 1,287 1,288 0.6,290 1,291 1,292 0.8,293 64,294 310,295 4.553,296 3.906,297 6.873,298 4.224,299 3.254,300 4.133,301 2.062,302 11.429,303 3.155,304 4.082,305 3.533,306 6.31,307 3.771,308 2.79,309 3.662,310 1.653,311 9.331,312 2.729,313 4.043,314 3.188,315 5.941,316 3.676,317 2.7,318 3.53,319 0.85,320 8.326,321 2.637,322 3.88,323 2.801,324 5.579,325 3.525,326 2.551,327 3.17,328 0.488,329 7.642,330 2.485,331 3.59,332 2.73,333 5.182,334 3.222,335 2.229,336 2.825,337 0.219,338 6.172,339 2.199,340 3.402,341 2.257,342 4.948,343 2.977,344 2.011,345 2.693,346 0.03,347 5.649,348 1.937,349 3.181,350 2.137,351 4.592,352 2.77,353 1.775,354 2.389,356 4.789,357 1.758,358 2.957,359 1.899,360 4.198,361 2.541,362 1.551,363 2.117,365 3.526,366 1.531,367 2.776,368 1.686,369 4.002,370 2.317,371 1.317,372 1.896,374 3.088,375 1.316,376 2.661,377 1.316,378 3.602,379 2.187,380 1.19,381 1.733,383 2.875,384 1.185,385 2.608,386 1.24,387 3.48,388 2.13,389 1.138,390 1.589,392 2.586,393 1.122,394 2.5,395 1.057,396 3.426,397 2,398 1,399 1.5,401 2.136,402 1,403 2.132,404 1.029,405 3.247,406 1.639,407 0.679,408 0.932,410 1.856,411 0.649,412 1.897,413 1,414 3.173,415 1.475,416 0.455,417 0.588,419 1.069,420 0.457,421 1.189,422 0.578,423 2.869,424 0.856,425 -0.097,426 -0.112,428 -0.267,429 -0.092,430 14.267,431 0.476,432 0.733,433 0.024,434 42.75,435 1.425,436 23.5,437 0.783,438 19.25,439 0.642,440 22.339,441 0.745,442 30.733,443 0.591,444 35.404,445 1.18,446 8.825,447 0.294,448 5.7,449 0.19,450 0.117,452 0.343,454 0.72,455 1.236,456 0.758,457 0.986,458 0.583,459 0.888,460 0.555,461 1.007,462 0.815,463 0.925,464 0.552,465 0.905,466 0.956,467 1.118,468 0.958,469 1.026,470 0.965,471 0.997,472 1.246,473 1.179,474 0.968,475 1.021,476 1.22,477 0.965,478 1.202,479 1.025,480 1.066,481 0.966,482 1.096,483 0.977,484 1.286,485 1.156,486 0.981,487 1.052,488 1.236,489 0.983,490 1.74,491 0.995,492 1.194,493 0.967,494 1.751,495 0.997,496 1.531,497 0.92,498 1.035,499 0.897,500 1.607,501 0.9,502 5.5,503 0.126,504 3.111,505 2.563,506 1.986,507 1.164,508 0.805,509 0.456,510 0.38,511 0.19,512 11008,513 28074,514 2.087,515 42.3,516 3,517 16,518 1,520 2,524 1.734,525 1.957,526 3.316,527 0.177,529 1,530 78.276,531 1.505,532 3.318,533 4.164,534 4.959,535 5.311,536 5.364,537 2.715,538 4.707,539 4.877,540 3.501,541 1523.11,542 8.543,543 20570.8,544 1,545 1,546 296.423,547 1.4,548 4.839,549 0.167,550 0.005,551 0.068,552 0.049,553 0.039,554 0.023,555 0.017,556 0.012,557 0.011,558 0.007,559 0.398,560 0.33,561 1,562 0.551,563 151.742,564 -0.046,565 -0.114,566 0.04,567 -0.013,568 -0.078,569 0.019,570 0.265,571 0.099,572 0.06,573 0.028,574 0.065,575 0.011,576 0.074,577 -0.053,578 -0.033,579 -0.076,580 -0.023,581 -0.076,582 -0.032,583 -0.146,584 0.012,585 -0.077,586 -0.015,587 -0.037,588 0.062,589 0.04,590 -0.08,591 -0.041,592 0.101,593 -0.068,594 -0.086,595 -0.163,596 0.023,597 -0.094,598 -0.006,599 -0.029,600 -0.269,601 -0.006,602 -0.155,603 -0.022,604 -0.161,605 -0.061,606 -0.172,607 0.026,608 0.016,609 0.074,610 -0.092,611 0.074,612 2.387,613 6.103,614 0.767,615 26.676,616 1,617 1.118,618 3.884,619 15.083,620 0.688,621 3.526,622 3.85,623 4.127,624 4.407,625 4.654,626 4.762,627 4.883,628 4.984,629 5.043,630 5.1,631 6.298,632 0.659,633 398.5,634 3.526,635 5.069,636 5.922,637 6.804,638 7.676,639 8.566,640 9.447,641 10.341,642 11.227,643 12.125,644 7.7,649 3,651 1,654 13,658 5,660 18,661 1,669 52,670 21,671 3,672 33,673 55,674 24,675 18,676 5,677 13,678 1,679 4,680 5,683 1,684 1,688 21,689 3,691 3,692 2,694 1,695 3,697 1,699 22,700 6,701 2,702 6,705 4,706 0.75,707 2,713 3,714 1,717 1,720 1,731 3,734 2,737 30,741 2,744 1,745 1,749 3.8,752 2,755 15.333,756 9.9,757 6.583,758 2.958,759 3.1,760 1.405,761 0.998,762 5.642,763 10.763,764 3.829,765 4.401,766 4.947,767 5.502,768 6.031,769 6.206,770 6.563,771 6.89,772 7.158,773 7.446,774 0.857,775 52,776 11.124,777 4.771,778 7.789,779 20.975,780 17.046,781 2.289,782 68.667,783 1,784 1,785 235.422,786 167.22,787 55.931,789 50.29,792 167.22,793 285.712,794 55.931,795 17.222,796 39.146,797 123.191,798 57.751,799 31.856,800 16.047,801 223.651,803 235.422,804 223.152,805 50.29,807 235.422,808 50.29,810 64.757,811 158.395,814 235.422,815 106.221,816 167.22,817 235.422,818 26.807,819 143.537,820 36.022,821 67.075,822 235.422,823 106.221,824 167.22,825 0.58,826 0.34,827 0.191,828 0.107,829 22,830 10,831 0.055,832 3,833 1,834 1.087,835 4.004,836 277.205,837 0.087,838 23,839 141.207,841 19.869,842 8.519,843 4.294,845 106.221,846 24.695,850 4.13,852 36.022,853 508.863,854 45,855 25.714,857 4.671,858 -0.146,859 52.014,860 58.149,861 0.264,862 0.582,863 0.731,864 0.87,865 0.932,866 0.941,867 5.059,868 1.551,869 5.905,870 4.789,871 4.533,872 5.088,873 2.682,874 6.723,875 4.489,876 6.261,877 1.317,878 7.467,879 3.526,880 4.111,881 4.758,882 2.111,883 7.63,884 4.039,885 7.558,886 1.19,887 9.132,888 3.088,889 6.125,890 7.208,891 3.581,892 10.775,893 6.027,894 8.888,895 1.138,896 10.859,897 2.875,898 6.524,899 7.663,900 3.665,901 12.534,902 6.391,903 10.248,904 1,905 12.627,906 2.586,907 8.007,908 9.591,909 4.749,910 15.201,911 7.851,912 11.631,913 0.679,914 14.424,915 2.136,916 8.794,917 10.443,918 5.131,919 17.323,920 8.601,921 13.032,922 0.455,923 16.242,924 1.856,925 10.065,926 12.125,927 6.037,928 19.828,929 9.848,930 3.254,931 -0.097,932 18.077,933 1.069,934 11.041,935 13.202,936 6.572,937 22.113,938 10.787,939 2.79,940 11.429,941 19.925,942 -0.267,943 12.229,944 14.754,945 7.388,946 24.562,947 11.948,948 2.7,949 9.331,950 21.783,951 4.133,952 13.298,953 15.963,954 8.007,955 26.924,956 12.982,957 2.551,958 8.326,959 23.651,960 3.662,961 14.459,962 17.444,963 8.777,964 29.356,965 14.114,966 2.229,967 7.642,968 25.525,969 3.53,970 15.575,971 18.733,972 9.441,973 31.753,974 15.195,975 2.011,976 6.172,977 27.406,978 3.17,979 16.73,980 20.176,981 10.188,982 34.182,983 16.32,984 1.775,985 5.649,986 29.292,987 2.825,988 17.87,989 21.514,990 10.878,991 36.597,992 17.426,993 10494,994 16913,995 22.076,996 35.784,997 50.346,998 51.386,999 51.209,1000 49.33,1001 49.281,1002 65.514,1003 10.603,1004 140.951,1005 48.318,1006 5.492,1007 5.906,1008 6.675,1009 5.288,1010 5.254,1011 7.133,1012 3.581,1013 19.038,1014 5.155,1015 13.875,1016 1.526,1017 1.557,1018 1.552,1019 1.495,1020 1.493,1021 1.985,1022 0.321,1023 4.271,1024 1.464,1025 4.041,1026 4.073,1027 3.999,1028 3.959,1029 7.434,1030 3.963,1031 3.923,1032 3.956,1033 3.86,1034 3.854,1035 7.424,1036 3.851,1037 3.829,1038 3.862,1039 3.758,1040 3.764,1041 4.877,1042 3.758,1043 3.632,1044 3.678,1045 3.57,1046 3.418,1047 4.754,1048 3.452,1049 3.394,1050 3.455,1051 3.32,1052 3.129,1053 4.681,1054 3.163,1055 3.243,1056 3.317,1057 3.152,1058 3.067,1059 4.402,1060 3.077,1061 3.141,1062 3.214,1063 2.963,1064 2.981,1065 4.031,1066 2.971,1067 2.997,1068 3.052,1069 2.855,1070 2.816,1071 4.014,1072 2.817,1073 0.138,1074 0.118,1075 0.208,1076 0.128,1077 0.099,1078 4.553,1079 0.125,1080 3.906,1081 0.062,1082 6.873,1083 0.346,1084 4.224,1085 0.096,1086 3.254,1087 4.133,1088 2.062,1089 11.429,1090 3.155,1091 1.963,1092 1.939,1093 2.057,1094 2.04,1095 1.169,1096 2.046,1097 1.914,1098 1.884,1099 2.037,1100 2.016,1101 1.132,1102 2.022,1103 1.837,1104 1.806,1105 1.961,1106 1.944,1107 1.036,1108 1.948,1109 1.576,1110 1.528,1111 1.716,1112 1.82,1113 0.823,1114 1.795,1115 1.297,1116 1.228,1117 1.573,1118 1.588,1119 0.626,1120 1.579,1121 1.224,1122 1.156,1123 1.524,1124 1.445,1125 0.6,1126 1.474,1127 1.128,1128 1.07,1129 1.301,1130 1.351,1131 0.355,1132 1.352,1133 0.966,1134 0.904,1135 1.197,1136 1.178,1137 0.258,1138 1.187,1139 4.205,1140 5.525,1142 7.04,1143 2.708,1144 8.64,1145 5.46,1146 10.285,1147 3.637,1153 5.484,1156 -1.053,1157 1.534,1159 34.256,1160 78.276,1161 172.56,1162 216.543,1163 257.894,1164 276.158,1165 278.913,1166 53.458,1167 7.662,1168 73.8,1169 73.8,1170 25,1171 12.651,1172 4.459,1173 3.7,1174 46.747,1175 111,1176 120,1177 0.203,1178 211.454,1179 371.52,1180 507.708,1181 22451,1183 21.087,1184 0.703,1185 0.56,1186 21.087,1187 16.794,1188 14.525,1189 0.44,1190 0.293,1191 9.563,1192 14.11,1193 9.277,1194 7.756,1195 14.525,1196 9.671,1197 13.103,1198 0.285,1199 0.155,1200 13.103,1201 7.129,1202 10.989,1203 0.18,1204 0.081,1205 10.989,1206 4.934,1207 9.302,1208 0.115,1209 0.043,1210 9.302,1211 3.457,1212 7.576,1213 0.073,1214 0.022,1215 7.576,1216 2.307,1217 0.311,1218 90.151,1219 0.213,1220 27.897,1221 0.577,1222 158,1223 445.427,1224 171.226,1225 438.624,1226 602.94,1227 410,1228 186,1229 446.132,1230 199.478,1231 455.969,1232 667.25,1233 429,1234 4.955}