@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2386

@attribute molecule_id {CHEMBL100672,CHEMBL100989,CHEMBL101030,CHEMBL101041,CHEMBL102081,CHEMBL102115,CHEMBL102134,CHEMBL107287,CHEMBL107291,CHEMBL107656,CHEMBL107869,CHEMBL108189,CHEMBL108657,CHEMBL109434,CHEMBL109852,CHEMBL111765,CHEMBL113261,CHEMBL11391,CHEMBL1160008,CHEMBL1160160,CHEMBL124855,CHEMBL129879,CHEMBL129901,CHEMBL16016,CHEMBL16054,CHEMBL16064,CHEMBL16143,CHEMBL16220,CHEMBL1628078,CHEMBL163002,CHEMBL16433,CHEMBL16637,CHEMBL169159,CHEMBL169707,CHEMBL170152,CHEMBL170276,CHEMBL170697,CHEMBL171769,CHEMBL173276,CHEMBL190743,CHEMBL1907778,CHEMBL2115235,CHEMBL22389,CHEMBL23910,CHEMBL24071,CHEMBL24211,CHEMBL24670,CHEMBL24697,CHEMBL24707,CHEMBL24734,CHEMBL247767,CHEMBL25114,CHEMBL25169,CHEMBL25199,CHEMBL25833,CHEMBL25884,CHEMBL26182,CHEMBL262398,CHEMBL26333,CHEMBL263806,CHEMBL263941,CHEMBL26448,CHEMBL26494,CHEMBL26496,CHEMBL274455,CHEMBL275228,CHEMBL278224,CHEMBL278453,CHEMBL280377,CHEMBL283109,CHEMBL283786,CHEMBL284005,CHEMBL284017,CHEMBL284138,CHEMBL284495,CHEMBL284702,CHEMBL286319,CHEMBL287318,CHEMBL287807,CHEMBL287910,CHEMBL28849,CHEMBL289951,CHEMBL290025,CHEMBL29205,CHEMBL296455,CHEMBL296588,CHEMBL296771,CHEMBL298276,CHEMBL298301,CHEMBL298653,CHEMBL298712,CHEMBL320814,CHEMBL322110,CHEMBL322933,CHEMBL323543,CHEMBL323544,CHEMBL324207,CHEMBL326616,CHEMBL331243,CHEMBL335613,CHEMBL338396,CHEMBL340276,CHEMBL34034,CHEMBL34712,CHEMBL355132,CHEMBL355430,CHEMBL365134,CHEMBL366721,CHEMBL367094,CHEMBL369234,CHEMBL39086,CHEMBL39375,CHEMBL412073,CHEMBL413150,CHEMBL418568,CHEMBL41862,CHEMBL41876,CHEMBL419567,CHEMBL419918,CHEMBL420168,CHEMBL425679,CHEMBL429694,CHEMBL430923,CHEMBL431246,CHEMBL432442,CHEMBL432959,CHEMBL432978,CHEMBL433799,CHEMBL436061,CHEMBL442146,CHEMBL45343,CHEMBL45494,CHEMBL457155,CHEMBL45841,CHEMBL45981,CHEMBL46040,CHEMBL46202,CHEMBL46666,CHEMBL47173,CHEMBL47394,CHEMBL47606,CHEMBL47626,CHEMBL48334,CHEMBL48561,CHEMBL48760,CHEMBL49498,CHEMBL49869,CHEMBL50,CHEMBL50656,CHEMBL54748,CHEMBL75703,CHEMBL76522,CHEMBL79463,CHEMBL99622}
@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 B.112 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 Br.094 numeric
@attribute Br.095 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.014 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.020 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.036 numeric
@attribute C.037 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA 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_NN 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_03_PN numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_05_PN 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_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_NN numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_07_PN numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_NN 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.086 numeric
@attribute Cl.087 numeric
@attribute Cl.089 numeric
@attribute Cl.090 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.dm. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.081 numeric
@attribute F.082 numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute F.085 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 Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute I.099 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute N.078 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArC.N numeric
@attribute nArCO numeric
@attribute nArCONH2 numeric
@attribute nArCONHR numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nB numeric
@attribute nBeta.Lactams numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCconjX numeric
@attribute nCH2RX numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nC.N.N. numeric
@attribute nC..N.N2 numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCR2X2 numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr numeric
@attribute nCXr. numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdNH numeric
@attribute NdO numeric
@attribute NdS numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nImidazoles numeric
@attribute nN numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nN.N numeric
@attribute nN.N.1 numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOxazoles numeric
@attribute nPyridines numeric
@attribute nPyrrolidines numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR12 numeric
@attribute nRCHO numeric
@attribute nR.CHX numeric
@attribute nRC.N numeric
@attribute nRCO numeric
@attribute nRCONH2 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nRCOOR 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 NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute NsI numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nS..O.2 numeric
@attribute nSO2N numeric
@attribute nSO2OH numeric
@attribute nSO3 numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssB numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute nTriazoles numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_0d numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_1d numeric
@attribute Psi_i_1s numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S.108 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdNH numeric
@attribute SdO numeric
@attribute SdS 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 SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssB 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 1.296,2 4.833,3 2.11,4 4.45,5 45.74,6 6.394,8 3.338,9 3.451,10 2.783,11 2.873,12 4.283,13 2.823,14 3.973,15 4.141,16 3.161,17 3.317,18 4.883,19 3.23,20 4.304,21 4.552,22 3.071,23 3.382,24 5.093,25 3.242,26 4.204,27 4.469,28 2.806,29 3.157,30 5.145,31 3.012,32 3.847,33 4.103,34 2.437,35 2.827,36 4.957,37 2.67,38 3.534,39 3.838,40 1.581,41 2.386,42 4.427,43 2.135,44 2.857,45 3.229,46 0.556,47 1.704,48 3.367,49 1.335,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.011,57 0.338,58 6.244,59 2.883,60 4.66,61 3.783,62 0.16,63 0.585,64 12.211,65 5.019,66 20.028,67 6.794,68 0.164,69 0.716,70 17.151,71 6.161,72 23.515,73 8.673,74 0.249,75 0.595,76 15.854,77 5.071,78 34.389,79 7.161,80 0.152,81 0.422,82 10.953,83 3.608,84 35.347,85 5.1,86 0.144,87 0.287,88 7.926,89 2.494,90 23.472,91 3.65,92 0.03,93 0.145,94 3.687,95 1.327,96 6.903,97 2.076,98 0.022,99 0.051,100 1.608,101 0.476,102 2.722,103 0.809,105 7,106 18,107 0.267,108 0.591,109 0.813,110 0.888,111 0.888,112 0.888,113 2.602,114 1.071,115 -3.41,116 -3.39,117 -3.24,120 38.5,122 4,123 2,128 1,134 1,135 1,153 1,165 7,167 1,168 4,176 7,182 5,190 5,195 4,203 4,207 3,215 3,227 2,270 106,271 8.215,272 8.215,273 8.215,274 8.215,275 8.215,276 7.955,277 8.381,278 4.928,279 8.307,280 6.381,281 6.381,282 6.381,283 6.381,284 6.381,285 5.918,286 8.657,287 2.224,288 6.522,289 3.405,290 1.829,291 0.75,292 0.385,293 0.385,294 0.385,295 3.228,301 1,302 1,303 121,304 2,306 43.658,309 36.117,313 0.722,314 13.473,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 26,326 58,327 4.25,328 3.891,329 6.721,330 4.16,331 3.182,332 3.352,333 2.443,334 10.916,335 3.108,336 3.347,337 2.836,338 5.476,339 3.19,340 2.19,341 2.395,342 0.286,343 6.71,344 2.178,345 2.921,346 2.238,347 4.745,348 2.658,349 1.704,350 1.905,352 4.913,353 1.606,354 2.524,355 1.583,356 3.604,357 2.177,358 1.187,359 1.414,361 2.475,362 1.171,363 2.114,364 1.278,365 3.427,366 2.039,367 1.041,368 1.076,370 2.278,371 1.035,372 1.641,373 0.734,374 2.896,375 1.387,376 0.392,377 0.449,379 0.786,380 0.387,381 0.892,382 0.46,383 2.339,384 0.602,385 -0.375,386 -0.452,388 -0.775,389 -0.362,390 0.61,391 -0.39,392 1.877,393 0.219,394 -0.824,395 -1.116,397 -1.6,398 -0.853,399 -0.302,400 -0.839,401 1.571,402 -0.4,403 -1.359,404 -1.414,406 -3.187,407 -1.264,408 -0.471,409 -1.197,410 1.482,411 -0.538,412 -1.535,413 -1.609,415 -4.477,416 -1.527,417 -0.652,418 -1.521,419 1.109,420 -0.7,421 -1.705,422 -2,424 -4.975,425 -1.704,426 -0.874,427 -1.678,428 0.511,429 -0.921,430 -1.898,431 -2,432 -0.998,433 -6.157,434 -1.815,435 -1,436 -1.914,437 0.241,438 -1.074,439 -2,440 -2,441 -1.731,442 -6.908,443 -1.96,462 5.667,463 0.472,464 0.26,465 0.022,466 9.75,467 0.813,468 2.5,469 0.208,470 7.25,471 0.604,472 10.211,473 0.851,474 14.133,475 0.544,476 4.782,477 0.399,478 1.553,479 0.129,480 4.272,481 0.356,482 0.147,484 0.353,490 0.655,491 1.28,492 0.89,493 1.261,494 0.568,495 1.133,496 0.62,497 1.25,498 0.976,499 1.247,500 0.477,501 1.18,502 0.973,503 1.098,504 0.995,505 1.091,506 0.784,507 1.052,508 1.448,509 0.831,510 1.065,511 0.829,512 1.341,513 0.877,514 1.335,515 1.016,516 1.145,517 1.016,518 1.688,519 1.045,520 1.32,521 0.775,522 1.186,523 0.802,524 1.631,525 0.95,526 0.072,527 0.901,528 0.742,529 0.926,530 0.294,531 0.941,538 2,540 1.556,541 1.167,542 0.45,543 0.223,544 0.056,548 759,549 1731,550 2.04,551 53.8,552 6,553 4,557 1,558 3,560 1.462,561 1.895,562 2.364,563 -0.807,567 1,569 33.689,570 1.296,571 2.871,572 3.95,573 4.316,574 4.316,575 4.316,576 1.825,577 2.855,578 3.553,579 2.386,580 157.457,581 5.869,582 1085.69,584 1,587 122.211,588 1.459,589 3.507,590 0.154,592 0.086,593 0.078,594 0.041,595 0.032,596 0.028,600 0.419,601 1,602 1,603 1.327,604 40.884,605 0.008,606 -0.038,607 0.057,608 -0.027,609 -0.005,610 0.017,611 0.205,612 -0.131,613 -0.019,614 -0.135,615 0.107,616 -0.116,617 -0.042,618 -0.135,619 -0.039,620 -0.127,621 -0.036,622 -0.088,623 -0.171,624 0.064,625 -0.06,626 0.06,627 -0.095,628 0.023,629 -0.15,630 -0.102,631 -0.156,632 -0.107,633 -0.056,634 -0.129,635 -0.214,636 0.063,637 -0.222,638 0.038,639 -0.26,640 -0.076,641 0.136,642 -0.098,643 0.076,644 -0.086,645 0.01,646 -0.024,647 0.27,648 0.621,649 0.832,650 0.672,651 0.22,652 0.821,653 1.662,654 4.308,655 0.667,656 5.472,657 0.994,658 1.128,659 2.181,660 4.758,661 0.625,662 2.639,663 2.944,664 3.258,665 3.555,666 3.526,667 3.434,668 3.332,669 2.639,670 2.079,671 1.609,672 3.121,673 0.581,674 166.24,675 2.639,676 4.143,677 5.004,678 5.894,679 6.781,680 7.678,681 8.571,682 9.47,683 10.365,684 11.263,720 26,723 2,725 13,727 27,728 10,735 2,736 3,745 4,746 2,748 5,749 3,750 7,751 2,754 2,755 1,759 1,761 1,763 1,768 14,769 2,771 2,780 0.5,781 2,788 2,791 1,803 1,804 1,805 1,813 1,821 12,828 4,830 1,833 3,840 7.7,843 1,845 1,847 6.333,848 4.417,849 2.75,850 1.778,851 0.268,852 1.05,853 0.908,854 2.014,855 5.652,856 2.773,857 3.091,858 3.401,859 3.738,860 3.829,861 3.689,862 3.638,863 3.135,864 2.485,865 2.197,866 1,867 15,868 4.484,869 0.006,870 1.942,871 7.764,872 8.836,873 0.002,874 7.781,875 -0.002,877 2.264,878 27.167,879 0.018,882 164.795,883 42.573,886 36.145,889 42.573,890 200.94,893 25.905,894 9.476,895 32.336,896 11,898 164.795,900 164.795,901 42.573,902 36.145,905 129.482,906 71.458,909 10.138,910 22.958,911 9.476,913 164.795,914 36.145,915 42.573,918 164.795,919 17.329,920 9.476,922 51.912,923 164.795,924 36.145,925 42.573,927 0.566,928 0.352,929 0.213,930 0.104,931 10,932 4,933 0.074,934 2,935 1,936 1.25,937 2.407,938 71.419,939 0.25,940 8,941 43.02,945 7.997,946 3.021,947 1.239,949 36.145,958 243.513,959 15,960 3.665,964 11.308,966 1.826,968 0.004,969 25.84,970 29.325,971 0.276,972 0.611,973 0.84,974 0.918,975 0.918,976 0.918,977 4.025,978 -0.824,979 4.99,980 -0.775,981 3.611,982 3.761,983 2.402,984 5.844,985 3.567,986 5.13,987 -1.359,988 6.572,989 -1.6,990 3.219,991 3.434,992 2.243,993 6.843,994 3.16,995 6.39,996 -1.535,997 8.263,998 -3.187,999 5.22,1000 5.476,1001 3.841,1002 9.986,1003 5.13,1004 7.685,1005 -1.705,1006 10.018,1007 -4.477,1008 5.74,1009 6.043,1010 4.269,1011 11.862,1012 5.631,1013 9.023,1014 -1.898,1015 11.814,1016 -4.975,1017 7.195,1018 7.542,1019 5.486,1020 14.501,1021 7.06,1022 10.387,1023 -2,1024 13.637,1025 -6.157,1026 8.103,1027 8.494,1028 6.158,1029 16.703,1030 7.946,1031 11.772,1033 15.48,1034 -6.908,1035 9.364,1036 9.801,1037 7.208,1038 19.181,1039 9.18,1040 3.182,1042 17.336,1044 10.426,1045 10.911,1046 7.992,1047 21.502,1048 10.219,1049 2.19,1050 10.916,1051 19.203,1053 11.618,1054 12.151,1055 8.963,1056 23.924,1057 11.386,1058 1.704,1059 6.71,1060 21.078,1061 3.352,1062 12.739,1063 13.322,1064 9.802,1065 26.289,1066 12.483,1067 1.187,1068 4.913,1069 22.959,1070 2.395,1071 13.909,1072 14.54,1073 10.734,1074 28.691,1075 13.628,1076 1.041,1077 2.475,1078 24.846,1079 1.905,1080 15.052,1081 15.734,1082 11.599,1083 31.071,1084 14.748,1085 0.392,1086 2.278,1087 26.736,1088 1.414,1089 16.213,1090 16.946,1091 12.512,1092 33.466,1093 15.885,1094 -0.375,1095 0.786,1096 28.629,1097 1.076,1098 17.365,1099 18.149,1100 13.391,1101 35.853,1102 17.013,1103 829,1104 1289,1105 8.553,1106 16.239,1107 19.748,1108 20.139,1109 20.507,1110 19.408,1111 19.391,1112 21.183,1113 5.458,1114 56.158,1115 18.97,1116 5.25,1117 5.805,1118 6.48,1119 5.234,1120 5.182,1121 5.352,1122 4.174,1123 17.824,1124 5.067,1125 5.162,1126 1.519,1127 1.549,1128 1.577,1129 1.493,1130 1.492,1131 1.629,1132 0.42,1133 4.32,1134 1.459,1135 3.99,1136 4.02,1137 3.898,1138 3.868,1139 7.432,1140 3.868,1141 3.577,1142 3.637,1143 3.425,1144 3.464,1145 4.715,1146 3.446,1147 3.295,1148 3.327,1149 3.183,1150 3.093,1151 4.516,1152 3.103,1153 2.918,1154 2.996,1155 2.711,1156 2.695,1157 3.879,1158 2.687,1159 2.65,1160 2.75,1161 2.478,1162 2.416,1163 3.565,1164 2.401,1165 2.632,1166 2.689,1167 2.33,1168 2.354,1169 3.079,1170 2.362,1171 2.026,1172 2.159,1173 1.667,1174 1.667,1175 2.781,1176 1.644,1177 1.892,1178 2.071,1179 1.4,1180 1.492,1181 2.423,1182 1.43,1183 0.327,1184 0.299,1185 0.517,1186 0.32,1187 0.245,1188 4.25,1189 0.258,1190 3.891,1191 0.188,1192 6.721,1193 0.84,1194 4.16,1195 0.239,1196 3.182,1197 3.352,1198 2.443,1199 10.916,1200 3.108,1201 1.763,1202 1.721,1203 1.959,1204 1.894,1205 1.352,1206 1.916,1207 1.568,1208 1.508,1209 1.837,1210 1.75,1211 1.193,1212 1.779,1213 1.463,1214 1.41,1215 1.703,1216 1.639,1217 0.917,1218 1.66,1219 1.174,1220 1.155,1221 1.392,1222 1.446,1223 0.368,1224 1.418,1225 0.617,1226 0.54,1227 0.975,1228 0.959,1229 0.029,1230 0.978,1231 0.277,1232 0.139,1233 0.809,1234 0.638,1235 0.013,1236 0.706,1237 0.177,1238 0.035,1239 0.743,1240 0.561,1242 0.631,1245 0.434,1246 0.276,1248 0.321,1249 3.296,1251 4.595,1252 3.045,1253 6.089,1254 5.416,1255 7.687,1256 7.506,1257 9.346,1265 4.245,1267 5.264,1270 0.855,1273 15.117,1274 33.689,1275 74.648,1276 102.702,1277 112.211,1278 112.211,1279 112.211,1280 18.634,1281 5.384,1282 26.3,1283 26.3,1284 10,1285 11.787,1286 1.585,1287 1.585,1288 17.006,1289 22,1290 24,1291 0.43,1292 94.045,1293 169.14,1294 221.229,1295 1012,1297 8.552,1298 0.713,1299 0.597,1300 8.552,1301 7.161,1302 5.826,1303 0.448,1304 0.357,1305 4.597,1306 5.641,1307 4.521,1308 3.714,1309 5.826,1310 4.641,1311 5.02,1312 0.279,1313 0.206,1314 5.02,1315 3.701,1316 4.295,1317 0.172,1318 0.12,1319 4.295,1320 3.011,1321 3.828,1322 0.113,1323 0.071,1324 3.828,1325 2.423,1326 2.599,1327 0.079,1328 0.041,1329 2.599,1330 1.348,1331 0.604,1332 36.348,1333 0.342,1334 11.806,1335 1.389,1336 62,1337 167.471,1338 68.532,1339 154.309,1340 204.43,1341 144,1342 74,1343 144,1344 80.312,1345 141.266,1346 209.92,1347 134,1348 7.432}
{0 CHEMBL100989,1 1.46,2 6.5,3 3.18,4 10.114,5 64.092,6 7.811,7 0.333,8 3.506,9 3.594,10 3.199,11 3.178,12 4.484,13 3.1,14 4.105,15 4.233,16 3.627,17 3.635,18 5.079,19 3.511,20 4.404,21 4.612,22 3.672,23 3.694,24 5.252,25 3.508,26 4.202,27 4.428,28 3.294,29 3.444,30 5.09,31 3.246,32 3.911,33 4.081,34 3.07,35 3.218,36 5.041,37 3.109,38 3.873,39 4.043,40 2.938,41 3.127,42 5.004,43 3.047,44 3.833,45 4.07,46 2.508,47 2.966,48 4.739,49 2.797,50 3.55,51 3.878,52 1.56,53 2.484,54 4.148,55 2.185,56 0.005,57 0.376,58 6.488,59 3.34,60 4.025,61 4.013,62 0.15,63 0.693,64 14.432,65 6.44,66 20.49,67 7.513,68 0.222,69 0.942,70 25.743,71 9.258,72 25.423,73 10.316,74 0.198,75 0.767,76 22.261,77 7.758,78 23.781,79 8.478,80 0.127,81 0.558,82 15.335,83 5.423,84 25.565,85 5.855,86 0.129,87 0.497,88 10.131,89 4.181,90 26.498,91 5.094,92 0.107,93 0.49,94 10.59,95 4.298,96 19.817,97 5.61,98 0.085,99 0.375,100 9.193,101 3.46,102 13.109,103 4.779,105 2,106 25,107 0.282,108 0.585,109 0.731,110 0.841,111 0.859,112 0.859,113 2.854,114 1.108,115 -4.34,116 -4.27,117 -4.03,120 43.3,122 3,123 1,128 2,140 5,142 1,153 1,165 7,167 1,168 2,176 10,182 5,190 5,195 2,203 5,207 5,215 4,220 4,227 7,231 2,239 5,253 2,270 254,271 11.069,272 11.069,273 11.069,274 11.069,275 11.069,276 10.187,277 7.742,278 6.641,279 11.325,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 7.623,286 7.548,287 3.179,288 9.372,289 3.447,290 1.883,291 1.129,292 0.558,293 0.467,294 0.467,295 3.53,301 1,302 1,303 230,304 1.871,306 62.02,307 44.873,309 51.039,313 0.938,314 13.577,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 104,327 4.269,328 4.677,329 6.73,330 4.142,331 3.193,332 3.501,333 3.42,334 10.962,335 3.022,336 3.866,337 3.763,338 5.558,339 3.438,340 2.51,341 3.283,342 2.218,343 7.316,344 2.321,345 3.336,346 2.902,347 5.24,348 3.116,349 2.125,350 2.391,351 0.277,352 6.298,353 2.086,354 2.946,355 2.751,356 4.728,357 2.587,358 1.663,359 2.096,361 4.856,362 1.511,363 2.657,364 1.745,365 3.67,366 2.378,367 1.414,368 1.659,370 3.095,371 1.35,372 2.5,373 1.528,374 3.442,375 2.044,376 1.047,377 1.5,379 2.346,380 1.038,381 2.118,382 1.071,383 3.339,384 2,385 1,386 1.083,388 2.136,389 1,390 1.694,391 1,392 3.247,393 1.502,394 0.579,395 0.623,397 1.555,398 0.519,399 0.951,400 0.602,401 2.701,402 0.693,403 -0.209,404 -0.231,406 -0.543,407 -0.185,408 0.845,409 0.479,410 2.307,411 0.411,412 -0.589,413 -0.767,415 -1.372,416 -0.561,417 0.5,418 0.015,419 1.804,421 -1,422 -1.305,424 -2.347,425 -1,426 0.259,427 -0.899,428 1.555,429 -0.114,430 -1.081,431 -1.5,433 -2.644,434 -1.045,435 -0.365,436 -1,437 1.525,438 -0.459,439 -1.414,440 -1.541,442 -3.642,443 -1.293,444 -0.475,445 -1.109,446 1.421,447 -0.55,448 -1.536,449 -1.635,451 -4.537,452 -1.518,453 -0.5,454 -1.298,455 1.109,456 -0.782,457 -1.743,458 -2,460 -4.789,461 -1.575,462 8,463 0.5,464 0.329,465 0.021,466 17.75,467 1.109,468 8,469 0.5,470 9.75,471 0.609,472 13.054,473 0.816,474 17.2,475 0.573,476 8.93,477 0.558,478 2.934,479 0.183,480 4.909,481 0.307,482 0.042,484 0.313,490 0.645,491 0.978,492 0.721,493 0.89,494 0.512,495 0.9,496 0.659,497 1.088,498 0.979,499 1.06,500 0.495,501 1.065,502 0.998,503 1.076,504 1.155,505 1.168,506 0.829,507 1.032,508 1.23,509 0.932,510 1.355,511 1.105,512 1.157,513 0.926,514 1.437,515 1.116,516 1.439,517 1.277,518 1.885,519 1.034,520 1.645,521 1.022,522 0.803,523 0.842,524 1.836,525 1.068,526 1.054,527 1.06,528 0.78,529 0.89,530 1.059,531 1.152,532 0.535,533 0.852,534 0.631,535 0.728,536 0.57,537 0.975,538 2.5,540 1.556,541 1.104,542 0.636,543 0.372,544 0.142,545 0.075,546 0.01,548 2054,549 4978,550 2.174,551 46.7,552 4,553 7,558 2,559 1,560 1.552,561 2.087,562 2.751,563 -0.795,565 1,566 1,567 1,569 43.798,570 1.46,571 3.023,572 3.778,573 4.348,574 4.44,575 4.44,576 2.108,577 3.406,578 3.976,579 2.818,580 338.13,581 6.696,582 2885.96,584 1,586 1,587 147.207,588 1.198,589 3.954,590 0.139,592 0.062,593 0.053,594 0.04,595 0.023,596 0.01,597 0.009,598 0.005,600 0.341,601 0.83,602 1,603 0.5,604 63.517,605 0.004,606 0.025,607 0.08,608 0.056,609 0.011,610 0.052,611 0.182,612 -0.082,613 -0.005,614 -0.043,615 0.108,616 -0.104,617 0.003,618 -0.07,619 0.052,620 -0.058,621 -0.025,622 -0.038,623 -0.122,624 0.082,625 -0.071,626 0.042,627 -0.075,628 0.076,629 -0.159,630 -0.111,631 -0.289,632 -0.206,633 -0.109,634 -0.077,635 -0.237,636 -0.119,637 -0.189,638 -0.113,639 -0.169,640 -0.195,641 -0.116,642 -0.172,643 -0.141,644 -0.142,645 -0.096,646 -0.227,647 0.021,648 0.022,649 0.069,650 0.046,651 -0.024,652 0.013,653 1.677,654 4.749,655 0.875,656 8.016,657 0.997,658 1.108,659 3.106,660 9.65,661 0.696,662 2.944,663 3.258,664 3.555,665 3.85,666 3.951,667 3.932,668 4.007,669 3.892,670 3.85,671 3.738,672 4.069,673 0.643,674 234.34,675 2.944,676 4.466,677 5.323,678 6.205,679 7.083,680 7.972,681 8.859,682 9.752,683 10.643,684 11.539,699 5,704 1,706 6,720 30,723 7,724 1,725 18,727 32,728 13,729 6,730 1,731 5,735 3,736 4,745 5,746 1,748 5,749 7,750 6,751 1,754 1,759 1,763 1,765 1,768 14,769 2,771 3,772 1,780 0.667,781 2,788 2,789 1,791 1,803 1,813 2,814 1,815 1,821 16,828 3,830 1,831 1,833 3,840 6.7,843 1,845 1,847 7.667,848 5.167,849 3.5,850 1.986,851 1.144,852 1.183,853 0.964,854 2.74,855 7.383,856 3.135,857 3.597,858 4.021,859 4.45,860 4.808,861 4.657,862 4.869,863 5.072,864 5.258,865 5.178,866 1,867 21,868 5.973,870 2.628,871 7.635,872 11.783,874 10.395,877 2.135,878 34.167,879 0.006,882 164.795,883 95.946,886 36.145,888 32.22,889 63.727,890 200.94,893 7.604,894 47.381,895 32.336,896 12.551,898 197.015,900 164.795,901 63.727,902 36.145,903 32.22,905 129.482,906 71.458,909 7.604,910 56.123,912 32.22,913 164.795,914 36.145,915 95.946,918 164.795,919 48.565,920 47.381,922 36.145,923 164.795,924 36.145,925 95.946,927 0.576,928 0.342,929 0.195,930 0.099,931 14,932 5,933 0.063,934 2,935 1,936 1.143,937 2.936,938 111.81,939 0.143,940 14,941 60,942 1,945 10.367,946 4.229,947 1.931,949 36.145,950 10.124,955 1.164,958 296.887,959 22,964 11.749,968 -0.011,969 29.916,970 33.245,971 0.298,972 0.616,973 0.77,974 0.886,975 0.905,976 0.905,977 4.376,978 0.579,979 5.293,980 2.136,981 3.932,982 4.277,983 3.48,984 6.107,985 3.828,986 5.51,987 -0.209,988 6.845,989 1.555,990 3.434,991 3.795,992 2.243,993 7.002,994 3.257,995 6.776,996 -0.589,997 8.502,998 -0.543,999 5.509,1000 6.193,1001 5.683,1002 10.149,1003 5.293,1004 8.072,1005 -1,1006 10.226,1007 -1.372,1008 5.916,1009 6.497,1010 4.601,1011 11.959,1012 5.619,1013 9.404,1014 -1.081,1015 11.992,1016 -2.347,1017 7.421,1018 8.391,1019 8.04,1020 14.599,1021 7.091,1022 10.759,1023 -1.414,1024 13.79,1025 -2.644,1026 8.245,1027 9.048,1028 7.073,1029 16.77,1030 7.838,1031 12.132,1032 -1.536,1033 15.611,1034 -3.642,1035 9.528,1036 10.72,1037 10.446,1038 19.248,1039 9.084,1040 3.193,1041 -1.743,1042 17.449,1043 -4.537,1044 10.54,1045 11.56,1046 9.629,1047 21.558,1048 10.027,1049 2.51,1050 10.962,1051 19.3,1052 -4.789,1053 11.74,1054 13.109,1055 12.87,1056 23.981,1057 11.183,1058 2.125,1059 7.316,1060 21.162,1061 3.501,1062 12.834,1063 14.06,1064 12.213,1065 26.344,1066 12.214,1067 1.663,1068 6.298,1069 23.033,1070 3.283,1071 14.004,1072 15.529,1073 15.301,1074 28.748,1075 13.337,1076 1.414,1077 4.856,1078 24.91,1079 2.391,1080 15.135,1081 16.555,1082 14.795,1083 31.13,1084 14.408,1085 1.047,1086 3.095,1087 26.793,1088 2.096,1089 16.296,1090 17.967,1091 17.735,1092 33.528,1093 15.519,1094 1,1095 2.346,1096 28.681,1097 1.659,1098 17.442,1099 19.046,1100 17.364,1101 35.918,1102 16.608,1103 1987,1104 3171,1105 12.425,1106 20.887,1107 27.217,1108 29.38,1109 27.462,1110 27.127,1111 27.062,1112 32.271,1113 11.83,1114 77.129,1115 25.693,1116 5.269,1117 6.677,1118 6.532,1119 5.293,1120 5.193,1121 6.501,1122 6.747,1123 17.89,1124 5.022,1125 4.382,1126 1.512,1127 1.632,1128 1.526,1129 1.507,1130 1.503,1131 1.793,1132 0.657,1133 4.285,1134 1.427,1135 3.983,1136 4.007,1137 4.08,1138 3.917,1139 7.432,1140 3.887,1141 3.847,1142 3.878,1143 3.779,1144 3.772,1145 4.745,1146 3.765,1147 3.378,1148 3.401,1149 3.414,1150 3.255,1151 4.525,1152 3.219,1153 2.944,1154 2.999,1155 3.09,1156 2.814,1157 3.879,1158 2.782,1159 2.854,1160 2.925,1161 2.687,1162 2.735,1163 3.704,1164 2.715,1165 2.816,1166 2.874,1167 2.637,1168 2.67,1169 3.674,1170 2.647,1171 2.642,1172 2.694,1173 2.469,1174 2.391,1175 3.326,1176 2.401,1177 2.308,1178 2.377,1179 2.297,1180 2.115,1181 2.912,1182 2.049,1183 0.237,1184 0.26,1185 0.374,1186 0.23,1187 0.177,1188 4.269,1189 0.194,1190 4.677,1191 0.19,1192 6.73,1193 0.609,1194 4.142,1195 0.168,1196 3.193,1197 3.501,1198 3.42,1199 10.962,1200 3.022,1201 1.882,1202 1.861,1203 1.985,1204 1.945,1205 1.295,1206 1.972,1207 1.634,1208 1.592,1209 1.866,1210 1.783,1211 1.19,1212 1.814,1213 1.553,1214 1.501,1215 1.77,1216 1.715,1217 1.055,1218 1.739,1219 1.225,1220 1.223,1221 1.326,1222 1.492,1223 0.591,1224 1.448,1225 0.886,1226 0.821,1227 1.181,1228 1.062,1229 0.218,1230 1.107,1231 0.832,1232 0.803,1233 1.038,1234 0.967,1235 0.155,1236 1.012,1237 0.351,1238 0.259,1239 0.82,1240 0.703,1241 0.014,1242 0.753,1243 0.178,1244 0.043,1245 0.746,1246 0.563,1248 0.631,1249 3.611,1251 4.92,1252 3.045,1253 6.418,1254 5.416,1255 8.007,1256 7.506,1257 9.648,1265 3.4,1267 5.41,1268 1.661,1270 0.668,1273 19.304,1274 43.798,1275 90.703,1276 113.332,1277 130.452,1278 133.207,1279 133.207,1280 22.864,1281 6.238,1282 26.3,1283 51.6,1284 16,1285 12.065,1286 3,1287 2.322,1288 21.776,1289 38,1290 36,1291 0.287,1292 120.705,1293 211.01,1294 286.279,1295 3481,1297 10.958,1298 0.685,1299 0.611,1300 11.311,1301 9.781,1302 7.843,1303 0.436,1304 0.369,1305 5.8,1306 7.209,1307 5.628,1308 4.599,1309 8.252,1310 6.646,1311 6.971,1312 0.279,1313 0.225,1314 7.614,1315 5.637,1316 6.003,1317 0.177,1318 0.139,1319 6.863,1320 4.739,1321 5.211,1322 0.113,1323 0.084,1324 6.072,1325 3.865,1326 3.878,1327 0.076,1328 0.051,1329 4.77,1330 2.612,1331 0.429,1332 52.536,1333 0.284,1334 15.972,1335 0.848,1336 86,1337 230.331,1338 118.155,1339 237.704,1340 322.29,1341 224,1342 102,1343 216.4,1344 132.806,1345 229.228,1346 341.53,1347 218,1348 7}
{0 CHEMBL101030,1 1.272,2 6.5,3 3.076,4 9.464,5 61.19,6 6.759,7 0.333,8 3.557,9 3.662,10 3.061,11 3.155,12 4.507,13 3.107,14 4.173,15 4.326,16 3.437,17 3.603,18 5.106,19 3.52,20 4.504,21 4.737,22 3.349,23 3.679,24 5.299,25 3.54,26 4.432,27 4.689,28 3.109,29 3.488,30 5.297,31 3.338,32 4.16,33 4.401,34 3.064,35 3.313,36 5.153,37 3.196,38 4.042,39 4.271,40 2.942,41 3.189,42 5.069,43 3.08,44 3.833,45 4.07,46 2.508,47 2.966,48 4.739,49 2.797,50 3.55,51 3.878,52 1.56,53 2.484,54 4.148,55 2.185,56 0.017,57 0.407,58 7.225,59 3.496,60 4.164,61 4.519,62 0.167,63 0.727,64 14.161,65 6.261,66 20.119,67 8.276,68 0.17,69 0.953,70 20.728,71 8.248,72 22.958,73 11.193,74 0.255,75 0.847,76 19.958,77 7.275,78 32.506,79 9.835,80 0.137,81 0.662,82 14.824,83 5.698,84 27.924,85 7.706,86 0.156,87 0.579,88 13.279,89 4.939,90 28.958,91 6.556,92 0.106,93 0.476,94 10.587,95 4.121,96 18.85,97 5.603,98 0.078,99 0.348,100 8.114,101 3.097,102 11.824,103 4.512,105 2,106 25,107 0.242,108 0.56,109 0.739,110 0.841,111 0.857,112 0.857,113 2.854,114 1.015,115 -4.33,116 -4.27,117 -4.03,120 43.8,122 4,123 2,128 1,140 5,141 1,153 1,165 12,167 1,168 4,176 14,182 5,190 11,195 4,203 8,207 5,215 7,220 4,227 7,231 2,239 5,253 2,270 254,271 11.069,272 11.069,273 11.069,274 11.069,275 11.069,276 10.187,277 9.594,278 6.641,279 11.16,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 7.623,286 10.128,287 3.179,288 9.056,289 3.728,290 2.063,291 1.121,292 0.586,293 0.5,294 0.5,295 3.53,301 1,302 1,303 230,304 1.871,306 62.02,307 44.873,309 51.039,313 0.938,314 13.909,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 104,327 4.269,328 3.894,329 6.73,330 4.172,331 3.193,332 3.501,333 2.443,334 10.962,335 3.123,336 3.866,337 2.843,338 5.558,339 3.505,340 2.51,341 3.283,342 0.286,343 7.316,344 2.496,345 3.336,346 2.721,347 5.24,348 3.129,349 2.125,350 2.391,352 6.298,353 2.12,354 2.946,355 2.035,356 4.728,357 2.619,358 1.663,359 2.096,361 4.856,362 1.577,363 2.657,364 1.545,365 3.67,366 2.402,367 1.414,368 1.659,370 3.095,371 1.39,372 2.5,373 1.348,374 3.442,375 2.044,376 1.047,377 1.5,379 2.346,380 1.038,381 2.118,382 1,383 3.339,384 2,385 1,386 1.083,388 2.136,389 1,390 1.694,391 0.797,392 3.247,393 1.581,394 0.579,395 0.623,397 1.555,398 0.577,399 0.951,400 0.503,401 2.701,402 0.757,403 -0.209,404 -0.231,406 -0.543,407 -0.201,408 0.845,409 0.029,410 2.307,411 0.443,412 -0.589,413 -0.767,415 -1.372,416 -0.598,417 0.5,418 -0.734,419 1.804,421 -1,422 -1.305,424 -2.347,425 -1,426 0.259,427 -1,428 1.555,429 -0.067,430 -1.081,431 -1.5,433 -2.644,434 -1.091,435 -0.365,436 -1.027,437 1.525,438 -0.446,439 -1.414,440 -1.541,442 -3.642,443 -1.324,444 -0.475,445 -1.273,446 1.421,447 -0.546,448 -1.536,449 -1.635,451 -4.537,452 -1.53,453 -0.5,454 -1.588,455 1.109,456 -0.749,457 -1.743,458 -2,460 -4.789,461 -1.712,462 7.667,463 0.479,464 0.329,465 0.021,466 17.25,467 1.078,468 7.5,469 0.469,470 9.75,471 0.609,472 12.929,473 0.808,474 17.533,475 0.548,476 9.055,477 0.566,478 2.971,479 0.186,480 4.873,481 0.305,482 0.043,484 0.326,490 0.644,491 1.101,492 0.833,493 1.086,494 0.511,495 0.999,496 0.63,497 1.169,498 0.982,499 1.169,500 0.486,501 1.128,502 0.985,503 1.103,504 1.046,505 1.101,506 0.814,507 1.084,508 1.405,509 0.867,510 1.071,511 0.869,512 1.363,513 0.918,514 1.109,515 0.954,516 0.92,517 0.942,518 1.492,519 0.911,520 1.451,521 0.915,522 1.039,523 0.906,524 1.587,525 0.916,526 1.131,527 1.155,528 1.228,529 1.165,530 1.114,531 1.203,532 0.574,533 0.928,534 0.994,535 0.953,536 0.6,537 1.018,538 2.5,540 1.556,541 1.104,542 0.636,543 0.372,544 0.142,545 0.075,546 0.01,548 2054,549 4458,550 2.174,551 50,552 6,553 6,557 1,558 3,560 1.552,561 2.087,562 2.751,563 -0.856,565 1,566 1,567 1,569 40.697,570 1.272,571 2.937,572 3.879,573 4.414,574 4.5,575 4.5,576 2.108,577 3.406,578 3.976,579 2.818,580 338.13,581 6.696,582 2885.96,584 1,586 1,587 160,588 1.198,589 3.954,590 0.139,592 0.062,593 0.053,594 0.04,595 0.023,596 0.01,597 0.009,598 0.005,600 0.341,601 0.83,602 1,603 0.5,604 63.517,605 0.011,606 0.008,607 0.066,608 0.016,609 0.018,610 0.043,611 0.197,612 -0.119,613 -0.054,614 -0.125,615 0.11,616 -0.122,617 -0.046,618 -0.135,619 -0.084,620 -0.132,621 -0.047,622 -0.116,623 -0.153,624 0.068,625 -0.062,626 0.061,627 -0.121,628 0.018,629 -0.034,630 0.003,631 0.066,632 0.013,633 -0.024,634 0.047,635 -0.134,636 0.043,637 -0.027,638 0.042,639 -0.083,640 0.025,641 -0.128,642 -0.199,643 -0.261,644 -0.21,645 -0.098,646 -0.247,647 -0.012,648 -0.033,649 -0.056,650 -0.037,651 -0.044,652 -0.05,653 1.64,654 4.77,655 0.875,656 8.016,657 0.991,658 1.117,659 3.102,660 9.622,661 0.656,662 2.944,663 3.258,664 3.555,665 3.85,666 3.951,667 3.932,668 4.007,669 3.892,670 3.85,671 3.738,672 4.069,673 0.614,674 216.3,675 2.944,676 4.466,677 5.323,678 6.205,679 7.083,680 7.972,681 8.859,682 9.752,683 10.643,684 11.539,699 5,704 1,706 6,720 32,723 7,724 1,725 18,727 34,728 14,729 6,730 1,731 5,735 3,736 4,745 4,746 2,748 5,749 7,750 7,751 2,754 1,759 1,763 1,765 1,768 16,769 2,771 2,780 0.667,781 2,788 2,789 1,791 1,803 1,813 2,821 16,828 4,830 1,833 3,840 6.3,843 1,845 1,847 7.667,848 5.5,849 3.5,850 2.181,851 1.144,852 1.183,853 0.966,854 2.525,855 7.383,856 3.135,857 3.597,858 4.021,859 4.45,860 4.808,861 4.657,862 4.869,863 5.072,864 5.258,865 5.178,866 1,867 21,868 5.983,870 2.633,871 7.615,872 11.861,874 10.523,877 2.115,878 33.833,879 0.006,882 188.338,883 67.896,886 36.145,889 67.896,890 224.482,893 10.138,894 47.381,895 32.336,896 14.185,898 188.338,900 188.338,901 67.896,902 36.145,905 153.024,906 71.458,909 10.138,910 57.758,913 188.338,914 36.145,915 67.896,918 188.338,919 20.515,920 47.381,922 36.145,923 188.338,924 36.145,925 67.896,927 0.576,928 0.342,929 0.195,930 0.099,931 14,932 5,933 0.059,934 2,935 1,936 1.143,937 2.936,938 111.81,939 0.143,940 14,941 60,945 10.04,946 4.025,947 1.816,949 36.145,950 10.253,955 1.247,958 292.379,959 22,964 11.77,968 0.026,969 31.723,970 35.74,971 0.254,972 0.587,973 0.776,974 0.883,975 0.9,976 0.9,977 4.376,978 0.579,979 5.293,980 2.136,981 3.932,982 4.277,983 2.402,984 6.107,985 3.9,986 5.51,987 -0.209,988 6.845,989 1.555,990 3.434,991 3.795,992 2.243,993 7.002,994 3.386,995 6.776,996 -0.589,997 8.502,998 -0.543,999 5.509,1000 6.193,1001 3.841,1002 10.149,1003 5.443,1004 8.072,1005 -1,1006 10.226,1007 -1.372,1008 5.916,1009 6.497,1010 4.269,1011 11.959,1012 5.826,1013 9.404,1014 -1.081,1015 11.992,1016 -2.347,1017 7.421,1018 8.391,1019 5.486,1020 14.599,1021 7.314,1022 10.759,1023 -1.414,1024 13.79,1025 -2.644,1026 8.245,1027 9.048,1028 6.158,1029 16.77,1030 8.11,1031 12.132,1032 -1.536,1033 15.611,1034 -3.642,1035 9.528,1036 10.72,1037 7.208,1038 19.248,1039 9.375,1040 3.193,1041 -1.743,1042 17.449,1043 -4.537,1044 10.54,1045 11.56,1046 7.992,1047 21.558,1048 10.358,1049 2.51,1050 10.962,1051 19.3,1052 -4.789,1053 11.74,1054 13.109,1055 8.963,1056 23.981,1057 11.537,1058 2.125,1059 7.316,1060 21.162,1061 3.501,1062 12.834,1063 14.06,1064 9.802,1065 26.344,1066 12.604,1067 1.663,1068 6.298,1069 23.033,1070 3.283,1071 14.004,1072 15.529,1073 10.734,1074 28.748,1075 13.752,1076 1.414,1077 4.856,1078 24.91,1079 2.391,1080 15.135,1081 16.555,1082 11.599,1083 31.13,1084 14.857,1085 1.047,1086 3.095,1087 26.793,1088 2.096,1089 16.296,1090 17.967,1091 12.512,1092 33.528,1093 15.995,1094 1,1095 2.346,1096 28.681,1097 1.659,1098 17.442,1099 19.046,1100 13.391,1101 35.918,1102 17.116,1103 1987,1104 2983,1105 12.425,1106 21,1107 27.217,1108 27.889,1109 27.462,1110 27.083,1111 27.062,1112 32.271,1113 5.458,1114 77.129,1115 26.644,1116 5.269,1117 5.894,1118 6.532,1119 5.249,1120 5.193,1121 6.501,1122 4.174,1123 17.89,1124 5.123,1125 4.382,1126 1.512,1127 1.549,1128 1.526,1129 1.505,1130 1.503,1131 1.793,1132 0.303,1133 4.285,1134 1.48,1135 4.017,1136 4.046,1137 3.933,1138 3.922,1139 7.432,1140 3.918,1141 3.855,1142 3.889,1143 3.769,1144 3.772,1145 4.754,1146 3.766,1147 3.427,1148 3.471,1149 3.301,1150 3.278,1151 4.527,1152 3.272,1153 3.062,1154 3.097,1155 2.939,1156 2.849,1157 3.879,1158 2.864,1159 2.854,1160 2.944,1161 2.687,1162 2.735,1163 3.808,1164 2.715,1165 2.852,1166 2.925,1167 2.634,1168 2.671,1169 3.674,1170 2.65,1171 2.642,1172 2.694,1173 2.469,1174 2.392,1175 3.34,1176 2.401,1177 2.476,1178 2.567,1179 2.219,1180 2.243,1181 2.99,1182 2.233,1183 0.237,1184 0.216,1185 0.374,1186 0.232,1187 0.177,1188 4.269,1189 0.194,1190 3.894,1191 0.136,1192 6.73,1193 0.609,1194 4.172,1195 0.174,1196 3.193,1197 3.501,1198 2.443,1199 10.962,1200 3.123,1201 1.929,1202 1.9,1203 2.062,1204 2.011,1205 1.374,1206 2.03,1207 1.66,1208 1.617,1209 1.876,1210 1.799,1211 1.196,1212 1.825,1213 1.559,1214 1.503,1215 1.8,1216 1.731,1217 1.099,1218 1.755,1219 1.31,1220 1.277,1221 1.537,1222 1.553,1223 0.778,1224 1.537,1225 0.927,1226 0.9,1227 1.181,1228 1.173,1229 0.25,1230 1.161,1231 0.886,1232 0.821,1233 1.124,1234 1.062,1235 0.218,1236 1.107,1237 0.474,1238 0.394,1239 0.86,1240 0.77,1241 0.014,1242 0.81,1243 0.259,1244 0.119,1245 0.796,1246 0.614,1248 0.683,1249 3.611,1251 4.92,1252 3.045,1253 6.418,1254 5.416,1255 8.007,1256 7.506,1257 9.648,1265 4.296,1267 5.431,1270 0.809,1273 19.644,1274 40.697,1275 93.972,1276 124.126,1277 141.245,1278 144,1279 144,1280 23.356,1281 6.238,1282 26.3,1283 26.3,1284 16,1285 12.065,1286 3,1287 2.322,1288 21.776,1289 38,1290 36,1291 0.287,1292 119.166,1293 209.8,1294 282.525,1295 3481,1297 10.958,1298 0.685,1299 0.579,1300 10.958,1301 9.264,1302 7.843,1303 0.436,1304 0.338,1305 6.044,1306 7.659,1307 5.942,1308 4.87,1309 7.843,1310 6.088,1311 6.971,1312 0.279,1313 0.195,1314 6.971,1315 4.866,1316 6.003,1317 0.177,1318 0.114,1319 6.003,1320 3.889,1321 5.211,1322 0.113,1323 0.067,1324 5.211,1325 3.075,1326 3.878,1327 0.076,1328 0.037,1329 3.878,1330 1.899,1331 0.429,1332 48.454,1333 0.284,1334 15.972,1335 0.848,1336 86,1337 215.471,1338 92.532,1339 204.161,1340 277.41,1341 192,1342 102,1343 200,1344 108.312,1345 199.979,1346 294.69,1347 190,1348 7}
{0 CHEMBL101041,1 1.325,2 6.563,3 2.273,4 5.167,5 60.99,6 6.539,8 3.591,9 3.703,10 3.037,11 3.121,12 4.574,13 3.073,14 4.219,15 4.399,16 3.422,17 3.548,18 5.185,19 3.469,20 4.512,21 4.73,22 3.351,23 3.634,24 5.44,25 3.51,26 4.521,27 4.789,28 3.238,29 3.47,30 5.513,31 3.351,32 4.221,33 4.415,34 3.126,35 3.237,36 5.631,37 3.159,38 4.071,39 4.336,40 2.82,41 3.088,42 5.062,43 2.964,44 3.849,45 4.07,46 2.693,47 2.974,48 4.9,49 2.85,50 3.904,51 4.154,52 2.112,53 2.827,54 4.801,55 2.621,56 0.005,57 0.439,58 7.909,59 3.739,60 4.177,61 4.858,62 0.166,63 0.744,64 15.495,65 6.375,66 25.58,67 8.616,68 0.209,69 0.901,70 21.3,71 7.692,72 41.168,73 10.626,74 0.32,75 0.817,76 22.012,77 6.951,78 49.822,79 9.865,80 0.462,81 0.611,82 16.678,83 5.082,84 91.143,85 6.882,86 0.201,87 0.533,88 13.859,89 4.564,90 36.473,91 6.459,92 0.108,93 0.457,94 10.862,95 3.905,96 26.151,97 5.416,98 0.256,99 0.429,100 11.914,101 3.665,102 36.396,103 5.16,105 21,106 24,107 0.253,108 0.531,109 0.773,110 0.826,111 0.826,112 0.826,113 2.853,114 1.052,115 -3.32,116 -3.31,117 -3.17,120 38.2,121 2,122 4,123 2,128 1,135 1,136 1,151 1,153 1,165 8,167 1,168 6,176 9,182 7,190 5,195 5,203 6,206 2,207 4,215 4,220 4,227 5,231 4,239 4,253 4,270 268,271 10.361,272 10.361,273 10.361,274 10.361,275 10.361,276 9.764,277 12.879,278 6.094,279 10.417,280 8.399,281 8.399,282 8.399,283 8.399,284 8.399,285 7.447,286 15.091,287 2.896,288 8.472,289 3.762,290 2.301,291 1.03,292 0.75,293 0.75,294 0.75,295 3.493,301 1,302 1,303 217,304 3.162,306 68.853,309 56.765,313 0.992,314 22.131,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 35,326 105,327 4.266,328 3.904,329 6.729,330 4.172,331 3.192,332 3.392,333 2.443,334 10.956,335 3.125,336 3.874,337 3.5,338 5.525,339 3.511,340 2.488,341 3.166,342 1.277,343 7.067,344 2.541,345 3.352,346 2.833,347 5.148,348 3.157,349 2.155,350 2.404,351 0.68,352 6.183,353 2.148,354 3.196,355 2.524,356 4.736,357 2.841,358 1.828,359 2.26,360 0.286,361 4.92,362 1.844,363 2.674,364 2.089,365 4.28,366 2.524,367 1.561,368 1.653,370 4.14,371 1.481,372 2.117,373 1.409,374 3.448,375 2.044,376 1.047,377 1.082,379 2.346,380 1.039,381 1.668,382 0.911,383 3.348,384 1.568,385 0.558,386 0.587,388 1.495,389 0.559,390 1,391 0.599,392 2.655,393 0.708,394 -0.262,395 -0.279,397 -0.706,398 -0.252,399 0.891,400 0.396,401 2.308,402 0.552,403 -0.498,404 -0.666,406 -1.186,407 -0.516,408 0.608,409 -0.017,410 1.919,411 0.266,412 -0.826,413 -1,415 -2,416 -0.894,418 -0.32,419 1.677,421 -1,422 -1.142,424 -2.03,425 -1,426 -0.14,427 -0.774,428 1.506,429 -0.38,430 -1.355,431 -1.416,433 -3.348,434 -1.274,435 -0.41,436 -1.142,437 1.11,438 -0.531,439 -1.534,440 -1.609,442 -4.442,443 -1.527,444 -0.479,445 -1.408,446 1.101,447 -0.612,448 -1.627,449 -2,450 -0.68,451 -4.647,452 -1.675,453 -0.691,454 -1.638,455 1,456 -0.776,457 -1.765,458 -2,459 -0.998,460 -5.518,461 -1.721,462 7.5,463 0.469,464 0.511,465 0.032,466 14,467 0.875,468 4.5,469 0.281,470 9.5,471 0.594,472 15.32,473 0.958,474 18.9,475 0.556,476 8.121,477 0.508,478 2.342,479 0.146,480 5.233,481 0.327,482 0.222,484 0.4,490 0.604,491 1.293,492 0.875,493 1.276,494 0.512,495 1.146,496 0.58,497 1.166,498 0.855,499 1.159,500 0.459,501 1.071,502 1.056,503 1.233,504 1.137,505 1.231,506 0.955,507 1.203,508 1.227,509 0.814,510 0.899,511 0.799,512 1.132,513 0.79,514 1.526,515 1.028,516 1.242,517 1.026,518 2.023,519 1.074,520 1.139,521 0.78,522 0.898,523 0.774,524 1.338,525 0.789,526 1.033,527 1.206,528 1.112,529 1.204,530 1.097,531 1.177,532 1.671,533 0.94,534 1.525,535 0.978,536 1.317,537 1.191,538 4,540 1.778,541 1.542,542 0.645,543 0.42,544 0.315,545 0.166,546 0.063,548 1791,549 4338,550 1.958,551 52.9,552 10,553 2,557 3,558 3,560 1.552,561 1.778,562 2.746,563 -0.795,565 1,566 1,567 1,569 45.054,570 1.325,571 2.786,572 4.057,573 4.337,574 4.337,575 4.337,576 2.149,577 3.75,578 3.972,579 2.875,580 344.962,581 6.694,582 2985.33,584 1,586 1,587 172.974,588 1.561,589 3.895,590 0.235,592 0.074,593 0.077,594 0.036,595 0.028,596 0.026,597 0.017,598 0.016,600 0.509,601 1,602 1,603 1.75,604 64.019,605 0.002,606 -0.029,607 0.042,608 -0.021,609 -0.002,610 0.013,611 0.162,612 -0.047,613 0.082,614 -0.042,615 0.108,616 -0.001,617 -0.096,618 -0.219,619 -0.171,620 -0.22,621 -0.1,622 -0.211,623 -0.092,624 0.087,625 0.102,626 0.101,627 -0.044,628 0.133,629 0.067,630 -0.064,631 -0.166,632 -0.088,633 0.026,634 -0.159,635 -0.096,636 0.142,637 0.086,638 0.149,639 -0.125,640 0.151,641 -0.088,642 -0.201,643 -0.149,644 -0.201,645 -0.059,646 -0.188,647 -0.358,648 -0.037,649 -0.509,650 -0.085,651 -0.244,652 -0.293,653 1.829,654 4.659,655 0.5,656 9.219,657 0.998,658 1.128,659 2.093,660 4.381,661 0.624,662 2.89,663 3.219,664 3.434,665 3.738,666 3.738,667 3.761,668 3.807,669 3.466,670 3.258,671 3.045,672 4.217,673 0.585,674 222.31,675 2.89,676 4.419,677 5.252,678 6.142,679 7.004,680 7.9,681 8.776,682 9.674,683 10.559,684 11.458,720 34,723 3,725 17,727 35,728 13,732 3,735 2,736 3,741 2,745 4,746 2,748 5,749 4,750 9,751 2,754 3,759 2,761 1,763 3,765 1,768 18,769 3,771 3,780 0.5,781 3,788 2,791 1,798 1,803 1,805 1,806 1,813 1,817 2,821 16,828 4,830 1,833 3,840 8.8,843 2,845 1,847 9,848 6.583,849 3.5,850 2.278,851 0.433,852 1.074,853 0.902,854 3.248,855 6.297,856 3.045,857 3.466,858 3.714,859 4.06,860 4.078,861 4.127,862 4.263,863 4.007,864 3.85,865 3.738,866 1,867 20,868 6.007,870 2.595,871 7.906,872 11.6,874 9.911,877 2.406,878 38.5,879 0.004,882 211.88,883 52.775,886 61.29,889 52.775,890 273.17,892 17.65,893 10.138,894 9.476,895 62.615,896 14.185,898 211.88,900 211.88,901 52.775,902 61.29,905 176.567,906 96.603,909 27.789,910 15.51,911 9.476,913 211.88,914 61.29,915 52.775,918 211.88,919 25.649,920 27.127,922 61.29,923 211.88,924 61.29,925 52.775,927 0.584,928 0.319,929 0.184,930 0.085,931 12,932 6,933 0.086,934 3,935 1,936 1.25,937 2.788,938 105.15,939 0.25,940 8,941 62,945 11.535,946 4.505,947 2.433,949 61.29,958 325.945,959 20,964 23.273,966 1.621,968 0.874,969 33.934,970 38.365,971 0.26,972 0.548,973 0.798,974 0.853,975 0.853,976 0.853,977 4.317,978 -0.262,979 5.263,980 1.495,981 3.892,982 4.143,983 2.723,984 6.084,985 3.875,986 5.481,987 -0.498,988 6.83,989 -0.706,990 3.611,991 4.007,992 2.243,993 7.018,994 3.604,995 6.77,996 -0.826,997 8.497,998 -1.186,999 5.485,1000 5.989,1001 3.958,1002 10.131,1003 5.446,1004 8.082,1005 -1,1006 10.223,1007 -2,1008 5.994,1009 6.581,1010 4.269,1011 11.94,1012 5.95,1013 9.424,1014 -1.355,1015 11.989,1016 -2.03,1017 7.402,1018 8.104,1019 5.522,1020 14.581,1021 7.33,1022 10.783,1023 -1.534,1024 13.784,1025 -3.348,1026 8.274,1027 9.016,1028 6.158,1029 16.753,1030 8.183,1031 12.157,1032 -1.627,1033 15.602,1034 -4.442,1035 9.513,1036 10.36,1037 7.219,1038 19.233,1039 9.395,1040 3.192,1041 -1.765,1042 17.438,1043 -4.647,1044 10.547,1045 11.421,1046 7.992,1047 21.545,1048 10.405,1049 2.488,1050 10.956,1051 19.288,1052 -5.518,1053 11.727,1054 12.688,1055 8.966,1056 23.97,1057 11.559,1058 2.155,1059 7.067,1060 21.15,1061 3.392,1062 12.832,1063 13.821,1064 9.802,1065 26.333,1066 12.638,1067 1.828,1068 6.183,1069 23.02,1070 3.166,1071 13.993,1072 15.054,1073 10.734,1074 28.739,1075 13.774,1076 1.561,1077 4.92,1078 24.898,1079 2.404,1080 15.128,1081 16.222,1082 11.599,1083 31.121,1084 14.883,1085 1.047,1086 4.14,1087 26.782,1088 2.26,1089 16.286,1090 17.441,1091 12.512,1092 33.519,1093 16.015,1094 0.558,1095 2.346,1096 28.67,1097 1.653,1098 17.434,1099 18.627,1100 13.391,1101 35.909,1102 17.139,1103 1894,1104 3005,1105 10.751,1106 21.216,1107 25.826,1108 26.841,1109 26.9,1110 25.636,1111 25.656,1112 29.088,1113 9.373,1114 74.213,1115 25.475,1116 5.266,1117 5.826,1118 6.219,1119 5.248,1120 5.192,1121 5.825,1122 4.174,1123 17.882,1124 5.102,1125 9.126,1126 1.519,1127 1.579,1128 1.582,1129 1.508,1130 1.509,1131 1.711,1132 0.551,1133 4.365,1134 1.499,1135 3.997,1136 4.026,1137 3.91,1138 3.874,1139 7.435,1140 3.876,1141 3.742,1142 3.782,1143 3.644,1144 3.636,1145 7.425,1146 3.63,1147 3.46,1148 3.514,1149 3.319,1150 3.311,1151 4.537,1152 3.303,1153 3.195,1154 3.211,1155 3.09,1156 2.931,1157 4.382,1158 2.963,1159 2.895,1160 3.009,1161 2.69,1162 2.68,1163 3.879,1164 2.667,1165 2.874,1166 2.976,1167 2.499,1168 2.618,1169 3.669,1170 2.57,1171 2.643,1172 2.7,1173 2.474,1174 2.397,1175 3.467,1176 2.401,1177 2.575,1178 2.665,1179 2.29,1180 2.308,1181 3.26,1182 2.299,1183 0.251,1184 0.23,1185 0.396,1186 0.245,1187 0.188,1188 4.266,1189 0.2,1190 3.904,1191 0.144,1192 6.729,1193 0.644,1194 4.172,1195 0.184,1196 3.192,1197 3.392,1198 2.443,1199 10.956,1200 3.125,1201 1.798,1202 1.766,1203 1.973,1204 1.934,1205 1.353,1206 1.945,1207 1.647,1208 1.598,1209 1.881,1210 1.796,1211 1.193,1212 1.826,1213 1.56,1214 1.503,1215 1.813,1216 1.736,1217 1.034,1218 1.763,1219 1.35,1220 1.31,1221 1.592,1222 1.586,1223 0.857,1224 1.583,1225 1.028,1226 1.016,1227 1.417,1228 1.334,1229 0.469,1230 1.308,1231 0.934,1232 0.804,1233 1.212,1234 1.239,1235 0.281,1236 1.285,1237 0.557,1238 0.474,1239 0.934,1240 0.88,1241 0.043,1242 0.905,1243 0.283,1244 0.153,1245 0.808,1246 0.638,1247 0.014,1248 0.705,1249 3.555,1251 4.875,1252 3.045,1253 6.354,1254 5.416,1255 7.924,1256 7.506,1257 9.554,1259 3.784,1265 3.452,1267 5.292,1270 0.203,1273 19.886,1274 45.054,1275 94.732,1276 137.954,1277 147.464,1278 147.464,1279 147.464,1280 35.69,1281 5.864,1282 43.37,1283 43.37,1284 10,1285 11.983,1286 2,1287 2,1288 25.945,1289 39,1290 38,1291 0.337,1292 123.891,1293 227.19,1294 294.053,1295 1988,1297 11.707,1298 0.732,1299 0.616,1300 11.707,1301 9.863,1302 7.575,1303 0.446,1304 0.351,1305 5.901,1306 7.32,1307 5.688,1308 4.725,1309 7.575,1310 5.959,1311 7.202,1312 0.3,1313 0.211,1314 7.202,1315 5.069,1316 5.222,1317 0.174,1318 0.115,1319 5.222,1320 3.462,1321 4.769,1322 0.116,1323 0.068,1324 4.769,1325 2.805,1326 3.046,1327 0.074,1328 0.038,1329 3.046,1330 1.544,1331 0.505,1332 47.424,1333 0.305,1334 16.017,1335 0.982,1336 82,1337 245.207,1338 90.636,1339 227.082,1340 293.69,1341 210,1342 95,1343 199.636,1344 102.973,1345 199.009,1346 289.14,1347 186,1348 7}
{0 CHEMBL102081,1 1.272,2 6.5,3 3.076,4 9.464,5 61.19,6 6.759,7 0.333,8 3.557,9 3.662,10 3.061,11 3.155,12 4.507,13 3.107,14 4.173,15 4.326,16 3.437,17 3.603,18 5.106,19 3.52,20 4.504,21 4.737,22 3.349,23 3.679,24 5.299,25 3.54,26 4.432,27 4.689,28 3.109,29 3.488,30 5.297,31 3.338,32 4.16,33 4.401,34 3.064,35 3.313,36 5.153,37 3.196,38 4.042,39 4.271,40 2.942,41 3.189,42 5.069,43 3.08,44 3.833,45 4.07,46 2.508,47 2.966,48 4.739,49 2.797,50 3.55,51 3.878,52 1.56,53 2.484,54 4.148,55 2.185,56 0.017,57 0.407,58 7.225,59 3.496,60 4.164,61 4.519,62 0.167,63 0.727,64 14.161,65 6.261,66 20.119,67 8.276,68 0.17,69 0.953,70 20.728,71 8.248,72 22.958,73 11.193,74 0.255,75 0.847,76 19.958,77 7.275,78 32.506,79 9.835,80 0.137,81 0.662,82 14.824,83 5.698,84 27.924,85 7.706,86 0.156,87 0.579,88 13.279,89 4.939,90 28.958,91 6.556,92 0.106,93 0.476,94 10.587,95 4.121,96 18.85,97 5.603,98 0.078,99 0.348,100 8.114,101 3.097,102 11.824,103 4.512,105 2,106 25,107 0.242,108 0.56,109 0.739,110 0.841,111 0.857,112 0.857,113 2.854,114 1.015,115 -4.33,116 -4.27,117 -4.03,120 43.8,122 4,123 2,128 1,140 5,141 1,153 1,165 12,167 1,168 4,176 14,182 5,190 11,195 4,203 8,207 5,215 7,220 4,227 7,231 2,239 5,253 2,270 254,271 11.069,272 11.069,273 11.069,274 11.069,275 11.069,276 10.187,277 9.594,278 6.641,279 11.16,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 7.623,286 10.128,287 3.179,288 9.056,289 3.728,290 2.063,291 1.121,292 0.586,293 0.5,294 0.5,295 3.53,301 1,302 1,303 230,304 1.871,306 62.02,307 44.873,309 51.039,313 0.938,314 13.909,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 104,327 4.269,328 3.894,329 6.73,330 4.172,331 3.193,332 3.501,333 2.443,334 10.962,335 3.123,336 3.866,337 2.843,338 5.558,339 3.505,340 2.51,341 3.283,342 0.286,343 7.316,344 2.496,345 3.336,346 2.721,347 5.24,348 3.129,349 2.125,350 2.391,352 6.298,353 2.12,354 2.946,355 2.035,356 4.728,357 2.619,358 1.663,359 2.096,361 4.856,362 1.577,363 2.657,364 1.545,365 3.67,366 2.402,367 1.414,368 1.659,370 3.095,371 1.39,372 2.5,373 1.348,374 3.442,375 2.044,376 1.047,377 1.5,379 2.346,380 1.038,381 2.118,382 1,383 3.339,384 2,385 1,386 1.083,388 2.136,389 1,390 1.694,391 0.797,392 3.247,393 1.581,394 0.579,395 0.623,397 1.555,398 0.577,399 0.951,400 0.503,401 2.701,402 0.757,403 -0.209,404 -0.231,406 -0.543,407 -0.201,408 0.845,409 0.029,410 2.307,411 0.443,412 -0.589,413 -0.767,415 -1.372,416 -0.598,417 0.5,418 -0.734,419 1.804,421 -1,422 -1.305,424 -2.347,425 -1,426 0.259,427 -1,428 1.555,429 -0.067,430 -1.081,431 -1.5,433 -2.644,434 -1.091,435 -0.365,436 -1.027,437 1.525,438 -0.446,439 -1.414,440 -1.541,442 -3.642,443 -1.324,444 -0.475,445 -1.273,446 1.421,447 -0.546,448 -1.536,449 -1.635,451 -4.537,452 -1.53,453 -0.5,454 -1.588,455 1.109,456 -0.749,457 -1.743,458 -2,460 -4.789,461 -1.712,462 7.667,463 0.479,464 0.329,465 0.021,466 17.25,467 1.078,468 7.5,469 0.469,470 9.75,471 0.609,472 12.929,473 0.808,474 17.533,475 0.548,476 9.055,477 0.566,478 2.971,479 0.186,480 4.873,481 0.305,482 0.043,484 0.326,490 0.644,491 1.101,492 0.833,493 1.086,494 0.511,495 0.999,496 0.63,497 1.169,498 0.982,499 1.169,500 0.486,501 1.128,502 0.985,503 1.103,504 1.046,505 1.101,506 0.814,507 1.084,508 1.405,509 0.867,510 1.071,511 0.869,512 1.363,513 0.918,514 1.109,515 0.954,516 0.92,517 0.942,518 1.492,519 0.911,520 1.451,521 0.915,522 1.039,523 0.906,524 1.587,525 0.916,526 1.131,527 1.155,528 1.228,529 1.165,530 1.114,531 1.203,532 0.574,533 0.928,534 0.994,535 0.953,536 0.6,537 1.018,538 2.5,540 1.556,541 1.104,542 0.636,543 0.372,544 0.142,545 0.075,546 0.01,548 2054,549 4458,550 2.174,551 50,552 6,553 6,557 1,558 3,560 1.552,561 2.087,562 2.751,563 -0.856,565 1,566 1,567 1,569 40.697,570 1.272,571 2.937,572 3.879,573 4.414,574 4.5,575 4.5,576 2.108,577 3.406,578 3.976,579 2.818,580 338.13,581 6.696,582 2885.96,584 1,586 1,587 160,588 1.198,589 3.954,590 0.139,592 0.062,593 0.053,594 0.04,595 0.023,596 0.01,597 0.009,598 0.005,600 0.341,601 0.83,602 1,603 0.5,604 63.517,605 0.011,606 0.008,607 0.066,608 0.016,609 0.018,610 0.043,611 0.197,612 -0.119,613 -0.054,614 -0.125,615 0.11,616 -0.122,617 -0.046,618 -0.135,619 -0.084,620 -0.132,621 -0.047,622 -0.116,623 -0.153,624 0.068,625 -0.062,626 0.061,627 -0.121,628 0.018,629 -0.034,630 0.003,631 0.066,632 0.013,633 -0.024,634 0.047,635 -0.134,636 0.043,637 -0.027,638 0.042,639 -0.083,640 0.025,641 -0.128,642 -0.199,643 -0.261,644 -0.21,645 -0.098,646 -0.247,647 -0.012,648 -0.033,649 -0.056,650 -0.037,651 -0.044,652 -0.05,653 1.64,654 4.77,655 0.875,656 8.016,657 0.991,658 1.117,659 3.102,660 9.622,661 0.656,662 2.944,663 3.258,664 3.555,665 3.85,666 3.951,667 3.932,668 4.007,669 3.892,670 3.85,671 3.738,672 4.069,673 0.614,674 216.3,675 2.944,676 4.466,677 5.323,678 6.205,679 7.083,680 7.972,681 8.859,682 9.752,683 10.643,684 11.539,699 5,704 1,706 6,720 32,723 7,724 1,725 18,727 34,728 14,729 6,730 1,731 5,735 3,736 4,745 4,746 2,748 5,749 7,750 7,751 2,754 1,759 1,763 1,765 1,768 16,769 2,771 2,780 0.667,781 2,788 2,789 1,791 1,803 1,813 2,821 16,828 4,830 1,833 3,840 6.3,843 1,845 1,847 7.667,848 5.5,849 3.5,850 2.181,851 1.144,852 1.183,853 0.966,854 2.525,855 7.383,856 3.135,857 3.597,858 4.021,859 4.45,860 4.808,861 4.657,862 4.869,863 5.072,864 5.258,865 5.178,866 1,867 21,868 5.983,870 2.633,871 7.615,872 11.861,874 10.523,877 2.115,878 33.833,879 0.006,882 188.338,883 67.896,886 36.145,889 67.896,890 224.482,893 10.138,894 47.381,895 32.336,896 14.185,898 188.338,900 188.338,901 67.896,902 36.145,905 153.024,906 71.458,909 10.138,910 57.758,913 188.338,914 36.145,915 67.896,918 188.338,919 20.515,920 47.381,922 36.145,923 188.338,924 36.145,925 67.896,927 0.576,928 0.342,929 0.195,930 0.099,931 14,932 5,933 0.059,934 2,935 1,936 1.143,937 2.936,938 111.81,939 0.143,940 14,941 60,945 10.04,946 4.025,947 1.816,949 36.145,950 10.253,955 1.247,958 292.379,959 22,964 11.77,968 0.026,969 31.723,970 35.74,971 0.254,972 0.587,973 0.776,974 0.883,975 0.9,976 0.9,977 4.376,978 0.579,979 5.293,980 2.136,981 3.932,982 4.277,983 2.402,984 6.107,985 3.9,986 5.51,987 -0.209,988 6.845,989 1.555,990 3.434,991 3.795,992 2.243,993 7.002,994 3.386,995 6.776,996 -0.589,997 8.502,998 -0.543,999 5.509,1000 6.193,1001 3.841,1002 10.149,1003 5.443,1004 8.072,1005 -1,1006 10.226,1007 -1.372,1008 5.916,1009 6.497,1010 4.269,1011 11.959,1012 5.826,1013 9.404,1014 -1.081,1015 11.992,1016 -2.347,1017 7.421,1018 8.391,1019 5.486,1020 14.599,1021 7.314,1022 10.759,1023 -1.414,1024 13.79,1025 -2.644,1026 8.245,1027 9.048,1028 6.158,1029 16.77,1030 8.11,1031 12.132,1032 -1.536,1033 15.611,1034 -3.642,1035 9.528,1036 10.72,1037 7.208,1038 19.248,1039 9.375,1040 3.193,1041 -1.743,1042 17.449,1043 -4.537,1044 10.54,1045 11.56,1046 7.992,1047 21.558,1048 10.358,1049 2.51,1050 10.962,1051 19.3,1052 -4.789,1053 11.74,1054 13.109,1055 8.963,1056 23.981,1057 11.537,1058 2.125,1059 7.316,1060 21.162,1061 3.501,1062 12.834,1063 14.06,1064 9.802,1065 26.344,1066 12.604,1067 1.663,1068 6.298,1069 23.033,1070 3.283,1071 14.004,1072 15.529,1073 10.734,1074 28.748,1075 13.752,1076 1.414,1077 4.856,1078 24.91,1079 2.391,1080 15.135,1081 16.555,1082 11.599,1083 31.13,1084 14.857,1085 1.047,1086 3.095,1087 26.793,1088 2.096,1089 16.296,1090 17.967,1091 12.512,1092 33.528,1093 15.995,1094 1,1095 2.346,1096 28.681,1097 1.659,1098 17.442,1099 19.046,1100 13.391,1101 35.918,1102 17.116,1103 1987,1104 2983,1105 12.425,1106 21,1107 27.217,1108 27.889,1109 27.462,1110 27.083,1111 27.062,1112 32.271,1113 5.458,1114 77.129,1115 26.644,1116 5.269,1117 5.894,1118 6.532,1119 5.249,1120 5.193,1121 6.501,1122 4.174,1123 17.89,1124 5.123,1125 4.382,1126 1.512,1127 1.549,1128 1.526,1129 1.505,1130 1.503,1131 1.793,1132 0.303,1133 4.285,1134 1.48,1135 4.017,1136 4.046,1137 3.933,1138 3.922,1139 7.432,1140 3.918,1141 3.855,1142 3.889,1143 3.769,1144 3.772,1145 4.754,1146 3.766,1147 3.427,1148 3.471,1149 3.301,1150 3.278,1151 4.527,1152 3.272,1153 3.062,1154 3.097,1155 2.939,1156 2.849,1157 3.879,1158 2.864,1159 2.854,1160 2.944,1161 2.687,1162 2.735,1163 3.808,1164 2.715,1165 2.852,1166 2.925,1167 2.634,1168 2.671,1169 3.674,1170 2.65,1171 2.642,1172 2.694,1173 2.469,1174 2.392,1175 3.34,1176 2.401,1177 2.476,1178 2.567,1179 2.219,1180 2.243,1181 2.99,1182 2.233,1183 0.237,1184 0.216,1185 0.374,1186 0.232,1187 0.177,1188 4.269,1189 0.194,1190 3.894,1191 0.136,1192 6.73,1193 0.609,1194 4.172,1195 0.174,1196 3.193,1197 3.501,1198 2.443,1199 10.962,1200 3.123,1201 1.929,1202 1.9,1203 2.062,1204 2.011,1205 1.374,1206 2.03,1207 1.66,1208 1.617,1209 1.876,1210 1.799,1211 1.196,1212 1.825,1213 1.559,1214 1.503,1215 1.8,1216 1.731,1217 1.099,1218 1.755,1219 1.31,1220 1.277,1221 1.537,1222 1.553,1223 0.778,1224 1.537,1225 0.927,1226 0.9,1227 1.181,1228 1.173,1229 0.25,1230 1.161,1231 0.886,1232 0.821,1233 1.124,1234 1.062,1235 0.218,1236 1.107,1237 0.474,1238 0.394,1239 0.86,1240 0.77,1241 0.014,1242 0.81,1243 0.259,1244 0.119,1245 0.796,1246 0.614,1248 0.683,1249 3.611,1251 4.92,1252 3.045,1253 6.418,1254 5.416,1255 8.007,1256 7.506,1257 9.648,1265 4.296,1267 5.431,1270 0.809,1273 19.644,1274 40.697,1275 93.972,1276 124.126,1277 141.245,1278 144,1279 144,1280 23.356,1281 6.238,1282 26.3,1283 26.3,1284 16,1285 12.065,1286 3,1287 2.322,1288 21.776,1289 38,1290 36,1291 0.287,1292 119.166,1293 209.8,1294 282.525,1295 3481,1297 10.958,1298 0.685,1299 0.579,1300 10.958,1301 9.264,1302 7.843,1303 0.436,1304 0.338,1305 6.044,1306 7.659,1307 5.942,1308 4.87,1309 7.843,1310 6.088,1311 6.971,1312 0.279,1313 0.195,1314 6.971,1315 4.866,1316 6.003,1317 0.177,1318 0.114,1319 6.003,1320 3.889,1321 5.211,1322 0.113,1323 0.067,1324 5.211,1325 3.075,1326 3.878,1327 0.076,1328 0.037,1329 3.878,1330 1.899,1331 0.429,1332 48.454,1333 0.284,1334 15.972,1335 0.848,1336 86,1337 215.471,1338 92.532,1339 204.161,1340 277.41,1341 192,1342 102,1343 200,1344 108.312,1345 199.979,1346 294.69,1347 190,1348 7}
{0 CHEMBL102115,1 1.296,2 4.833,3 2.11,4 4.45,5 45.74,6 6.394,8 3.338,9 3.451,10 2.783,11 2.873,12 4.283,13 2.823,14 3.973,15 4.141,16 3.161,17 3.317,18 4.883,19 3.23,20 4.304,21 4.552,22 3.071,23 3.382,24 5.093,25 3.242,26 4.204,27 4.469,28 2.806,29 3.157,30 5.145,31 3.012,32 3.847,33 4.103,34 2.437,35 2.827,36 4.957,37 2.67,38 3.534,39 3.838,40 1.581,41 2.386,42 4.427,43 2.135,44 2.857,45 3.229,46 0.556,47 1.704,48 3.367,49 1.335,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.011,57 0.338,58 6.244,59 2.883,60 4.66,61 3.783,62 0.16,63 0.585,64 12.211,65 5.019,66 20.028,67 6.794,68 0.164,69 0.716,70 17.151,71 6.161,72 23.515,73 8.673,74 0.249,75 0.595,76 15.854,77 5.071,78 34.389,79 7.161,80 0.152,81 0.422,82 10.953,83 3.608,84 35.347,85 5.1,86 0.144,87 0.287,88 7.926,89 2.494,90 23.472,91 3.65,92 0.03,93 0.145,94 3.687,95 1.327,96 6.903,97 2.076,98 0.022,99 0.051,100 1.608,101 0.476,102 2.722,103 0.809,105 7,106 18,107 0.267,108 0.591,109 0.813,110 0.888,111 0.888,112 0.888,113 2.602,114 1.071,115 -3.41,116 -3.39,117 -3.24,120 38.5,122 4,123 2,128 1,134 1,135 1,153 1,165 7,167 1,168 4,176 7,182 5,190 5,195 4,203 4,207 3,215 3,227 2,270 106,271 8.215,272 8.215,273 8.215,274 8.215,275 8.215,276 7.955,277 8.381,278 4.928,279 8.307,280 6.381,281 6.381,282 6.381,283 6.381,284 6.381,285 5.918,286 8.657,287 2.224,288 6.522,289 3.405,290 1.829,291 0.75,292 0.385,293 0.385,294 0.385,295 3.228,301 1,302 1,303 121,304 2,306 43.658,309 36.117,313 0.722,314 13.473,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 26,326 58,327 4.25,328 3.891,329 6.721,330 4.16,331 3.182,332 3.352,333 2.443,334 10.916,335 3.108,336 3.347,337 2.836,338 5.476,339 3.19,340 2.19,341 2.395,342 0.286,343 6.71,344 2.178,345 2.921,346 2.238,347 4.745,348 2.658,349 1.704,350 1.905,352 4.913,353 1.606,354 2.524,355 1.583,356 3.604,357 2.177,358 1.187,359 1.414,361 2.475,362 1.171,363 2.114,364 1.278,365 3.427,366 2.039,367 1.041,368 1.076,370 2.278,371 1.035,372 1.641,373 0.734,374 2.896,375 1.387,376 0.392,377 0.449,379 0.786,380 0.387,381 0.892,382 0.46,383 2.339,384 0.602,385 -0.375,386 -0.452,388 -0.775,389 -0.362,390 0.61,391 -0.39,392 1.877,393 0.219,394 -0.824,395 -1.116,397 -1.6,398 -0.853,399 -0.302,400 -0.839,401 1.571,402 -0.4,403 -1.359,404 -1.414,406 -3.187,407 -1.264,408 -0.471,409 -1.197,410 1.482,411 -0.538,412 -1.535,413 -1.609,415 -4.477,416 -1.527,417 -0.652,418 -1.521,419 1.109,420 -0.7,421 -1.705,422 -2,424 -4.975,425 -1.704,426 -0.874,427 -1.678,428 0.511,429 -0.921,430 -1.898,431 -2,432 -0.998,433 -6.157,434 -1.815,435 -1,436 -1.914,437 0.241,438 -1.074,439 -2,440 -2,441 -1.731,442 -6.908,443 -1.96,462 5.667,463 0.472,464 0.26,465 0.022,466 9.75,467 0.813,468 2.5,469 0.208,470 7.25,471 0.604,472 10.211,473 0.851,474 14.133,475 0.544,476 4.782,477 0.399,478 1.553,479 0.129,480 4.272,481 0.356,482 0.147,484 0.353,490 0.655,491 1.28,492 0.89,493 1.261,494 0.568,495 1.133,496 0.62,497 1.25,498 0.976,499 1.247,500 0.477,501 1.18,502 0.973,503 1.098,504 0.995,505 1.091,506 0.784,507 1.052,508 1.448,509 0.831,510 1.065,511 0.829,512 1.341,513 0.877,514 1.335,515 1.016,516 1.145,517 1.016,518 1.688,519 1.045,520 1.32,521 0.775,522 1.186,523 0.802,524 1.631,525 0.95,526 0.072,527 0.901,528 0.742,529 0.926,530 0.294,531 0.941,538 2,540 1.556,541 1.167,542 0.45,543 0.223,544 0.056,548 759,549 1731,550 2.04,551 53.8,552 6,553 4,557 1,558 3,560 1.462,561 1.895,562 2.364,563 -0.807,567 1,569 33.689,570 1.296,571 2.871,572 3.95,573 4.316,574 4.316,575 4.316,576 1.825,577 2.855,578 3.553,579 2.386,580 157.457,581 5.869,582 1085.69,584 1,587 122.211,588 1.459,589 3.507,590 0.154,592 0.086,593 0.078,594 0.041,595 0.032,596 0.028,600 0.419,601 1,602 1,603 1.327,604 40.884,605 0.008,606 -0.038,607 0.057,608 -0.027,609 -0.005,610 0.017,611 0.205,612 -0.131,613 -0.019,614 -0.135,615 0.107,616 -0.116,617 -0.042,618 -0.135,619 -0.039,620 -0.127,621 -0.036,622 -0.088,623 -0.171,624 0.064,625 -0.06,626 0.06,627 -0.095,628 0.023,629 -0.15,630 -0.102,631 -0.156,632 -0.107,633 -0.056,634 -0.129,635 -0.214,636 0.063,637 -0.222,638 0.038,639 -0.26,640 -0.076,641 0.136,642 -0.098,643 0.076,644 -0.086,645 0.01,646 -0.024,647 0.27,648 0.621,649 0.832,650 0.672,651 0.22,652 0.821,653 1.662,654 4.308,655 0.667,656 5.472,657 0.994,658 1.128,659 2.181,660 4.758,661 0.625,662 2.639,663 2.944,664 3.258,665 3.555,666 3.526,667 3.434,668 3.332,669 2.639,670 2.079,671 1.609,672 3.121,673 0.581,674 166.24,675 2.639,676 4.143,677 5.004,678 5.894,679 6.781,680 7.678,681 8.571,682 9.47,683 10.365,684 11.263,720 26,723 2,725 13,727 27,728 10,735 2,736 3,745 4,746 2,748 5,749 3,750 7,751 2,754 2,755 1,759 1,761 1,763 1,768 14,769 2,771 2,780 0.5,781 2,788 2,791 1,803 1,804 1,805 1,813 1,821 12,828 4,830 1,833 3,840 7.7,843 1,845 1,847 6.333,848 4.417,849 2.75,850 1.778,851 0.268,852 1.05,853 0.908,854 2.014,855 5.652,856 2.773,857 3.091,858 3.401,859 3.738,860 3.829,861 3.689,862 3.638,863 3.135,864 2.485,865 2.197,866 1,867 15,868 4.484,869 0.006,870 1.942,871 7.764,872 8.836,873 0.002,874 7.781,875 -0.002,877 2.264,878 27.167,879 0.018,882 164.795,883 42.573,886 36.145,889 42.573,890 200.94,893 25.905,894 9.476,895 32.336,896 11,898 164.795,900 164.795,901 42.573,902 36.145,905 129.482,906 71.458,909 10.138,910 22.958,911 9.476,913 164.795,914 36.145,915 42.573,918 164.795,919 17.329,920 9.476,922 51.912,923 164.795,924 36.145,925 42.573,927 0.566,928 0.352,929 0.213,930 0.104,931 10,932 4,933 0.074,934 2,935 1,936 1.25,937 2.407,938 71.419,939 0.25,940 8,941 43.02,945 7.997,946 3.021,947 1.239,949 36.145,958 243.513,959 15,960 3.665,964 11.308,966 1.826,968 0.004,969 25.84,970 29.325,971 0.276,972 0.611,973 0.84,974 0.918,975 0.918,976 0.918,977 4.025,978 -0.824,979 4.99,980 -0.775,981 3.611,982 3.761,983 2.402,984 5.844,985 3.567,986 5.13,987 -1.359,988 6.572,989 -1.6,990 3.219,991 3.434,992 2.243,993 6.843,994 3.16,995 6.39,996 -1.535,997 8.263,998 -3.187,999 5.22,1000 5.476,1001 3.841,1002 9.986,1003 5.13,1004 7.685,1005 -1.705,1006 10.018,1007 -4.477,1008 5.74,1009 6.043,1010 4.269,1011 11.862,1012 5.631,1013 9.023,1014 -1.898,1015 11.814,1016 -4.975,1017 7.195,1018 7.542,1019 5.486,1020 14.501,1021 7.06,1022 10.387,1023 -2,1024 13.637,1025 -6.157,1026 8.103,1027 8.494,1028 6.158,1029 16.703,1030 7.946,1031 11.772,1033 15.48,1034 -6.908,1035 9.364,1036 9.801,1037 7.208,1038 19.181,1039 9.18,1040 3.182,1042 17.336,1044 10.426,1045 10.911,1046 7.992,1047 21.502,1048 10.219,1049 2.19,1050 10.916,1051 19.203,1053 11.618,1054 12.151,1055 8.963,1056 23.924,1057 11.386,1058 1.704,1059 6.71,1060 21.078,1061 3.352,1062 12.739,1063 13.322,1064 9.802,1065 26.289,1066 12.483,1067 1.187,1068 4.913,1069 22.959,1070 2.395,1071 13.909,1072 14.54,1073 10.734,1074 28.691,1075 13.628,1076 1.041,1077 2.475,1078 24.846,1079 1.905,1080 15.052,1081 15.734,1082 11.599,1083 31.071,1084 14.748,1085 0.392,1086 2.278,1087 26.736,1088 1.414,1089 16.213,1090 16.946,1091 12.512,1092 33.466,1093 15.885,1094 -0.375,1095 0.786,1096 28.629,1097 1.076,1098 17.365,1099 18.149,1100 13.391,1101 35.853,1102 17.013,1103 829,1104 1289,1105 8.553,1106 16.239,1107 19.748,1108 20.139,1109 20.507,1110 19.408,1111 19.391,1112 21.183,1113 5.458,1114 56.158,1115 18.97,1116 5.25,1117 5.805,1118 6.48,1119 5.234,1120 5.182,1121 5.352,1122 4.174,1123 17.824,1124 5.067,1125 5.162,1126 1.519,1127 1.549,1128 1.577,1129 1.493,1130 1.492,1131 1.629,1132 0.42,1133 4.32,1134 1.459,1135 3.99,1136 4.02,1137 3.898,1138 3.868,1139 7.432,1140 3.868,1141 3.577,1142 3.637,1143 3.425,1144 3.464,1145 4.715,1146 3.446,1147 3.295,1148 3.327,1149 3.183,1150 3.093,1151 4.516,1152 3.103,1153 2.918,1154 2.996,1155 2.711,1156 2.695,1157 3.879,1158 2.687,1159 2.65,1160 2.75,1161 2.478,1162 2.416,1163 3.565,1164 2.401,1165 2.632,1166 2.689,1167 2.33,1168 2.354,1169 3.079,1170 2.362,1171 2.026,1172 2.159,1173 1.667,1174 1.667,1175 2.781,1176 1.644,1177 1.892,1178 2.071,1179 1.4,1180 1.492,1181 2.423,1182 1.43,1183 0.327,1184 0.299,1185 0.517,1186 0.32,1187 0.245,1188 4.25,1189 0.258,1190 3.891,1191 0.188,1192 6.721,1193 0.84,1194 4.16,1195 0.239,1196 3.182,1197 3.352,1198 2.443,1199 10.916,1200 3.108,1201 1.763,1202 1.721,1203 1.959,1204 1.894,1205 1.352,1206 1.916,1207 1.568,1208 1.508,1209 1.837,1210 1.75,1211 1.193,1212 1.779,1213 1.463,1214 1.41,1215 1.703,1216 1.639,1217 0.917,1218 1.66,1219 1.174,1220 1.155,1221 1.392,1222 1.446,1223 0.368,1224 1.418,1225 0.617,1226 0.54,1227 0.975,1228 0.959,1229 0.029,1230 0.978,1231 0.277,1232 0.139,1233 0.809,1234 0.638,1235 0.013,1236 0.706,1237 0.177,1238 0.035,1239 0.743,1240 0.561,1242 0.631,1245 0.434,1246 0.276,1248 0.321,1249 3.296,1251 4.595,1252 3.045,1253 6.089,1254 5.416,1255 7.687,1256 7.506,1257 9.346,1265 4.245,1267 5.264,1270 0.855,1273 15.117,1274 33.689,1275 74.648,1276 102.702,1277 112.211,1278 112.211,1279 112.211,1280 18.634,1281 5.384,1282 26.3,1283 26.3,1284 10,1285 11.787,1286 1.585,1287 1.585,1288 17.006,1289 22,1290 24,1291 0.43,1292 94.045,1293 169.14,1294 221.229,1295 1012,1297 8.552,1298 0.713,1299 0.597,1300 8.552,1301 7.161,1302 5.826,1303 0.448,1304 0.357,1305 4.597,1306 5.641,1307 4.521,1308 3.714,1309 5.826,1310 4.641,1311 5.02,1312 0.279,1313 0.206,1314 5.02,1315 3.701,1316 4.295,1317 0.172,1318 0.12,1319 4.295,1320 3.011,1321 3.828,1322 0.113,1323 0.071,1324 3.828,1325 2.423,1326 2.599,1327 0.079,1328 0.041,1329 2.599,1330 1.348,1331 0.604,1332 36.348,1333 0.342,1334 11.806,1335 1.389,1336 62,1337 167.471,1338 68.532,1339 154.309,1340 204.43,1341 144,1342 74,1343 144,1344 80.312,1345 141.266,1346 209.92,1347 134,1348 8.155}
{0 CHEMBL102134,1 1.489,2 7.368,3 2.102,4 4.417,5 71.95,6 6.982,7 0.286,8 3.706,9 3.829,10 3.214,11 3.26,12 4.771,13 3.227,14 4.282,15 4.438,16 3.608,17 3.711,18 5.331,19 3.643,20 4.618,21 4.841,22 3.575,23 3.822,24 5.551,25 3.708,26 4.612,27 4.865,28 3.397,29 3.695,30 5.585,31 3.566,32 4.408,33 4.653,34 3.331,35 3.553,36 5.447,37 3.439,38 4.308,39 4.548,40 3.191,41 3.438,42 5.344,43 3.33,44 4.161,45 4.412,46 3.082,47 3.291,48 5.141,49 3.176,50 4.032,51 4.295,52 2.914,53 3.033,54 5.333,55 2.909,56 0.032,57 0.527,58 8.232,59 3.625,60 9.498,61 4.806,62 0.176,63 0.872,64 15.404,65 6.747,66 30.098,67 8.976,68 0.187,69 1.099,70 23.028,71 8.634,72 39.918,73 12.03,74 0.312,75 1.023,76 23.928,77 8.029,78 51.549,79 11.357,80 0.167,81 0.863,82 19,83 6.788,84 40.628,85 9.629,86 0.223,87 0.773,88 17.413,89 5.814,90 44.735,91 8.193,92 0.116,93 0.678,94 14.792,95 5.176,96 25.714,97 7.484,98 0.32,99 0.58,100 13.472,101 4.002,102 61.915,103 6.136,105 11,106 30,107 0.273,108 0.653,109 0.818,110 0.905,111 0.905,112 0.905,113 3.011,114 0.97,115 -3.94,116 -3.89,117 -3.69,120 40.5,122 4,123 2,128 1,140 4,141 2,153 2,158 1,159 1,160 1,165 12,167 1,168 4,172 1,173 2,175 1,176 14,179 1,182 5,187 4,190 11,192 2,195 4,200 4,203 8,205 2,207 5,212 4,215 7,217 2,220 4,225 2,227 7,229 1,231 2,236 2,239 5,242 1,247 2,248 4,250 2,253 2,256 1,263 4,268 2,270 388,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 11.725,277 13.106,278 7.403,279 12.865,280 10.367,281 10.367,282 10.367,283 10.367,284 10.367,285 8.797,286 14.106,287 3.5,288 10.586,289 3.721,290 1.643,291 0.744,292 0.27,293 0.27,294 0.27,295 3.685,300 1,301 1,302 1,303 302,304 2.646,306 78.984,307 57.12,309 64.826,313 1.086,314 21.639,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 41,326 140,327 4.286,328 3.894,329 6.73,330 4.174,331 3.195,332 3.797,333 2.443,334 10.964,335 3.125,336 4.161,337 2.991,338 5.976,339 3.792,340 2.806,341 3.354,342 0.6,343 8.474,344 2.765,345 3.611,346 2.836,347 5.53,348 3.312,349 2.327,350 2.905,351 0.286,352 7.058,353 2.288,354 3.329,355 2.606,356 5.168,357 3.076,358 2.076,359 2.386,361 6.107,362 2.062,363 2.876,364 2.015,365 4.725,366 2.578,367 1.632,368 1.96,370 4.84,371 1.527,372 2.656,373 1.576,374 3.792,375 2.312,376 1.333,377 1.655,379 3.048,380 1.303,381 2.53,382 1.359,383 3.465,384 2.044,385 1.047,386 1.475,388 2.348,389 1.038,390 2.118,391 1.117,392 3.436,393 1.971,394 1,395 1.083,397 2.323,398 0.969,399 1.695,400 0.798,401 3.39,402 1.582,403 0.58,404 0.623,406 1.581,407 0.578,408 0.964,409 0.503,410 2.76,411 0.758,412 -0.209,413 -0.231,415 -0.563,416 -0.2,417 0.857,418 0.029,419 2.325,420 0.451,421 -0.575,422 -0.751,424 -1.386,425 -0.581,426 0.706,427 -0.354,428 2,429 0.226,430 -0.771,431 -1.001,433 -2,434 -0.767,435 0.411,436 -0.676,437 1.904,438 -0.059,439 -1,440 -1.31,442 -2.076,443 -0.9,444 0.273,445 -0.768,446 1.673,447 -0.1,448 -1.072,449 -1.43,451 -2.826,452 -1.082,453 -0.352,454 -1.024,455 1.508,456 -0.436,457 -1.401,458 -1.539,460 -3.676,461 -1.31,462 8.967,463 0.472,464 0.524,465 0.028,466 20.75,467 1.092,468 9,469 0.474,470 11.75,471 0.618,472 15.995,473 0.842,474 21.033,475 0.568,476 13.208,477 0.695,478 3.722,479 0.196,480 5.426,481 0.286,482 0.126,484 0.39,490 0.801,491 1.048,492 0.856,493 1.018,494 0.758,495 0.945,496 0.58,497 1.103,498 0.896,499 1.173,500 0.422,501 1.104,502 0.98,503 1.126,504 1.049,505 1.16,506 0.797,507 1.127,508 1.289,509 0.921,510 1.067,511 0.929,512 1.179,513 0.966,514 0.971,515 1.049,516 0.932,517 1.038,518 1.169,519 0.993,520 1.321,521 0.897,522 1.096,523 0.935,524 1.419,525 0.972,526 0.875,527 1.116,528 0.907,529 1.069,530 0.888,531 1.005,532 0.69,533 1.085,534 0.95,535 1.018,536 0.772,537 1.028,538 4,540 2.222,541 1.542,542 0.907,543 0.497,544 0.25,545 0.274,546 0.14,547 0.049,548 3185,549 8008,550 2.081,551 48.6,552 6,553 5,556 3,557 1,558 3,560 1.604,561 1.932,562 2.924,563 1.096,565 1,566 1,567 1,569 55.088,570 1.489,571 3.566,572 4.466,573 4.939,574 4.939,575 4.939,576 2.234,577 3.827,578 4.225,579 3.042,580 520.201,581 7.197,582 5088.25,583 1,584 1,586 1,587 192.75,588 1.462,589 4.171,590 0.19,592 0.074,593 0.057,594 0.041,595 0.024,596 0.014,597 0.017,598 0.012,599 0.012,600 0.442,601 0.67,602 1,603 0.868,604 81.575,605 -0.077,606 0.168,607 0.026,608 0.105,609 -0.078,610 0.093,611 0.21,612 -0.01,613 0.005,614 -0.069,615 0.169,616 -0.065,617 -0.071,618 -0.147,619 -0.1,620 -0.147,621 -0.036,622 -0.131,623 -0.158,624 -0.001,625 -0.07,626 0.03,627 -0.115,628 -0.003,629 -0.035,630 -0.106,631 0.035,632 -0.051,633 -0.036,634 -0.006,635 -0.178,636 0.067,637 -0.103,638 0.023,639 -0.196,640 -0.017,641 -0.001,642 -0.166,643 0.058,644 -0.094,645 -0.017,646 -0.021,647 0.421,648 -0.119,649 0.062,650 -0.122,651 0.415,652 -0.105,653 1.72,654 4.922,655 0.737,656 11.03,657 0.998,658 1.128,659 2.709,660 7.337,661 0.649,662 3.091,663 3.434,664 3.714,665 3.989,666 4.111,667 4.127,668 4.248,669 4.174,670 4.22,671 4.234,672 4.705,673 0.613,674 258.35,675 3.091,676 4.635,677 5.493,678 6.382,679 7.261,680 8.152,681 9.038,682 9.932,683 10.822,684 11.717,685 5.4,686 1,694 1,699 4,704 2,706 6,720 37,723 8,724 1,725 21,727 39,728 15,729 6,730 2,731 4,732 1,735 3,736 4,745 4,746 2,748 5,749 8,750 7,751 2,754 2,758 1,759 1,763 2,764 1,765 1,768 18,769 4,770 3,771 4,775 2,776 1,780 0.667,781 2,788 2,789 1,791 1,803 1,807 1,813 2,821 19,822 1,828 4,830 1,833 3,840 5.4,843 1,845 1,847 9.833,848 6.25,849 4.111,850 2.333,851 1.32,852 1.2,853 0.973,854 3.214,855 7.906,856 3.296,857 3.795,858 4.238,859 4.683,860 5.086,861 5.119,862 5.397,863 5.427,864 5.656,865 5.771,866 0.8,867 27,868 7.067,870 3.117,871 7.825,872 13.651,874 11.952,877 2.325,878 44.167,879 0.001,882 176.567,883 63.934,884 64.569,886 36.145,889 63.934,890 212.711,891 64.569,893 43.035,894 37.905,895 34.664,896 49.043,898 176.567,900 176.567,901 128.503,902 36.145,905 141.253,906 71.458,909 74.707,910 53.795,913 176.567,914 100.714,915 63.934,918 176.567,919 26.029,920 37.905,922 100.714,923 176.567,924 100.714,925 63.934,927 0.589,928 0.347,929 0.187,930 0.095,931 16,932 7,933 0.077,934 3,935 1,936 1.143,937 3.141,938 141.951,939 0.143,940 14,941 80.711,945 12.523,946 4.877,947 2.338,949 100.714,950 7.593,955 1.772,957 64.569,958 341.214,959 26,963 7.46,964 11.922,968 0.012,969 36.927,970 41.737,971 0.286,972 0.685,973 0.857,974 0.948,975 0.948,976 0.948,977 4.559,978 1,979 5.493,980 2.348,981 4.111,982 4.477,983 2.465,984 6.323,985 4.071,986 5.731,987 0.58,988 7.066,989 2.323,990 3.761,991 4.248,992 2.243,993 7.252,994 3.699,995 7.023,996 -0.209,997 8.738,998 1.581,999 5.72,1000 6.473,1001 3.847,1002 10.359,1003 5.646,1004 8.344,1005 -0.575,1006 10.468,1007 -0.563,1008 6.196,1009 7.012,1010 4.269,1011 12.14,1012 6.097,1013 9.697,1014 -0.771,1015 12.235,1016 -1.386,1017 7.642,1018 8.767,1019 5.487,1020 14.758,1021 7.529,1022 11.069,1023 -1,1024 14.028,1025 -2,1026 8.486,1027 9.648,1028 6.158,1029 16.895,1030 8.347,1031 12.457,1032 -1.072,1033 15.84,1034 -2.076,1035 9.736,1036 11.211,1037 7.208,1038 19.355,1039 9.582,1040 3.195,1041 -1.401,1042 17.667,1043 -2.826,1044 10.746,1045 12.265,1046 7.992,1047 21.641,1048 10.565,1049 2.806,1050 10.964,1051 19.506,1052 -3.676,1053 11.924,1054 13.732,1055 8.963,1056 24.049,1057 11.725,1058 2.327,1059 8.474,1060 21.355,1061 3.797,1062 13.008,1063 14.885,1064 9.802,1065 26.397,1066 12.784,1067 2.076,1068 7.058,1069 23.211,1070 3.354,1071 14.162,1072 16.298,1073 10.734,1074 28.791,1075 13.917,1076 1.632,1077 6.107,1078 25.075,1079 2.905,1080 15.28,1081 17.513,1082 11.599,1083 31.164,1084 15.011,1085 1.333,1086 4.84,1087 26.944,1088 2.386,1089 16.428,1090 18.893,1091 12.512,1092 33.556,1093 16.137,1094 1.047,1095 3.048,1096 28.819,1097 1.96,1098 17.563,1099 20.148,1100 13.391,1101 35.94,1102 17.249,1103 3131,1104 5019,1105 13.929,1106 24.012,1107 32.236,1108 32.935,1109 32.995,1110 32.025,1111 31.992,1112 38.476,1113 6.658,1114 93.483,1115 31.311,1116 5.286,1117 5.894,1118 6.278,1119 5.251,1120 5.195,1121 6.797,1122 4.174,1123 17.893,1124 5.125,1125 9.014,1126 1.535,1127 1.568,1128 1.571,1129 1.525,1130 1.523,1131 1.832,1132 0.317,1133 4.452,1134 1.491,1135 4.025,1136 4.055,1137 3.949,1138 3.937,1139 7.432,1140 3.934,1141 3.883,1142 3.916,1143 3.809,1144 3.79,1145 5.879,1146 3.789,1147 3.463,1148 3.525,1149 3.346,1150 3.307,1151 4.805,1152 3.306,1153 3.326,1154 3.395,1155 3.227,1156 3.093,1157 4.672,1158 3.117,1159 3.041,1160 3.083,1161 2.909,1162 2.831,1163 4.522,1164 2.841,1165 2.852,1166 2.943,1167 2.638,1168 2.673,1169 3.879,1170 2.653,1171 2.695,1172 2.793,1173 2.512,1174 2.479,1175 3.795,1176 2.478,1177 2.642,1178 2.694,1179 2.466,1180 2.39,1181 3.556,1182 2.401,1183 0.204,1184 0.185,1185 0.32,1186 0.199,1187 0.152,1188 4.286,1189 0.181,1190 3.894,1191 0.116,1192 6.73,1193 0.522,1194 4.174,1195 0.149,1196 3.195,1197 3.797,1198 2.443,1199 10.964,1200 3.125,1201 1.946,1202 1.92,1203 2.06,1204 2.028,1205 1.377,1206 2.04,1207 1.67,1208 1.628,1209 1.877,1210 1.813,1211 1.196,1212 1.834,1213 1.56,1214 1.503,1215 1.801,1216 1.736,1217 1.117,1218 1.76,1219 1.344,1220 1.3,1221 1.555,1222 1.596,1223 0.792,1224 1.583,1225 1.221,1226 1.161,1227 1.429,1228 1.511,1229 0.279,1230 1.487,1231 0.921,1232 0.887,1233 1.133,1234 1.161,1235 0.242,1236 1.155,1237 0.683,1238 0.591,1239 1.019,1240 0.962,1241 0.014,1242 0.99,1243 0.468,1244 0.386,1245 0.859,1246 0.826,1248 0.843,1249 3.761,1251 5.094,1252 3.045,1253 6.605,1254 5.416,1255 8.203,1256 7.506,1257 9.85,1263 5.495,1265 3.96,1267 5.442,1270 0.511,1273 22.687,1274 55.088,1275 131.941,1276 165.24,1277 182.75,1278 182.75,1279 182.75,1280 34.251,1281 6.586,1282 76.17,1283 76.17,1284 16,1285 12.243,1286 3.17,1287 2.585,1288 27.786,1289 54,1290 45,1291 0.261,1292 139.419,1293 246.46,1294 331.944,1295 5468,1297 13.405,1298 0.706,1299 0.567,1300 13.405,1301 10.764,1302 9.148,1303 0.436,1304 0.323,1305 6.726,1306 8.887,1307 6.609,1308 5.423,1309 9.148,1310 6.788,1311 8.504,1312 0.283,1313 0.183,1314 8.504,1315 5.495,1316 7.045,1317 0.176,1318 0.107,1319 7.045,1320 4.284,1321 5.94,1322 0.112,1323 0.063,1324 5.94,1325 3.327,1326 4.5,1327 0.075,1328 0.035,1329 4.5,1330 2.077,1331 0.398,1332 56.858,1333 0.268,1334 18.746,1335 0.75,1336 102,1337 267.116,1338 110.641,1339 258.646,1340 347.86,1341 240,1342 121,1343 251.972,1344 128.978,1345 254.302,1346 372.03,1347 240,1348 4}
{0 CHEMBL107287,1 1.598,2 20.111,3 3.426,4 11.738,5 223.317,6 6.792,7 0.09,8 4.933,9 5.058,10 4.387,11 4.394,12 6.001,13 3.604,14 5.54,15 5.723,16 4.804,17 4.836,18 6.611,19 3.979,20 5.898,21 6.106,22 4.931,23 5.061,24 6.948,25 4.108,26 6.066,27 6.303,28 4.969,29 5.112,30 7.133,31 4.095,32 6.058,33 6.285,34 5.011,35 5.099,36 7.325,37 4.083,38 6.061,39 6.288,40 5.033,41 5.179,42 7.16,43 4.051,44 6.163,45 6.396,46 5.106,47 5.246,48 7.241,49 3.991,50 6.265,51 6.506,52 5.156,53 5.288,54 7.456,55 3.844,56 0.279,57 1.875,58 30.298,59 12.737,60 37.77,61 5.941,62 1.002,63 3.087,64 58.394,65 21.643,66 147.165,67 10.295,68 1.652,69 4.031,70 86.346,71 29.53,72 227.19,73 12.922,74 2.034,75 4.446,76 104.477,77 31.791,78 286.853,79 13.497,80 3.044,81 4.332,82 105.063,83 30.607,84 479.523,85 12.767,86 2.337,87 4.644,88 103.054,89 34.212,90 342.633,91 12.644,92 1.975,93 4.878,94 113.59,95 35.653,96 315.458,97 12.582,98 3.259,99 5.027,100 128.393,101 37.662,102 522.064,103 12.223,104 1,105 368,106 99,107 0.223,108 0.49,109 0.716,110 0.835,111 0.857,112 0.868,113 4.161,114 0.996,115 1.07,116 0.87,117 0.57,120 33.8,121 7,122 9,123 4,124 1,125 1,126 1,128 6,129 1,130 1,140 4,141 1,142 1,153 7,158 1,159 1,160 1,162 2,164 2,165 19,166 2,167 2,168 9,171 6,173 7,176 19,177 1,179 1,181 1,182 17,184 1,185 8,186 3,187 11,188 1,189 1,190 14,193 1,195 22,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 5,206 8,207 12,208 1,210 6,211 2,212 10,213 1,215 9,217 1,219 3,220 14,221 1,222 1,223 7,224 4,225 13,226 1,227 20,228 1,229 1,230 1,231 25,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 18,246 1,247 1,248 6,249 2,250 8,251 1,252 1,253 22,254 2,255 1,256 1,257 3,258 16,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 36,267 1,268 2,270 11769,271 40.329,272 40.329,273 40.329,274 40.329,275 40.329,276 38.565,277 46.402,278 22.916,279 40.967,280 32.848,281 32.848,282 32.848,283 32.848,284 32.848,285 29.818,286 51.037,287 10.708,288 33.78,289 5.424,290 3.51,291 1.888,292 1.037,293 0.877,294 0.8,295 4.841,303 2659,304 7.874,305 153.836,306 403.557,307 697.481,310 649.565,313 3.03,314 120.993,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 140.5,326 1267,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.635,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 4.037,364 3.668,365 6.223,366 3.828,367 2.842,368 3.196,369 1.956,370 9.153,371 2.796,372 3.993,373 3.612,374 6.099,375 3.737,376 2.764,377 3.146,378 1.928,379 8.796,380 2.7,381 3.881,382 3.585,383 6.063,384 3.644,385 2.667,386 3.017,387 1.905,388 8.593,389 2.607,390 3.764,391 3.527,392 5.799,393 3.575,394 2.595,395 2.909,396 0.86,397 7.733,398 2.567,399 3.627,400 3.315,401 5.64,402 3.512,403 2.558,404 2.777,405 0.632,406 7.33,407 2.357,408 3.527,409 2.908,410 5.478,411 3.186,412 2.179,413 2.69,414 0.382,415 6.577,416 2.166,417 3.458,418 2.762,419 5.302,420 3.132,421 2.177,422 2.61,423 0.265,424 6.263,425 2.067,426 3.451,427 2.633,428 5.107,429 3.072,430 2.067,431 2.594,432 0.159,433 6.092,434 2.055,435 3.245,436 2.515,437 4.69,438 3.049,439 2.056,440 2.273,441 0.107,442 5.159,443 2.014,444 3.004,445 2.441,446 4.66,447 2.921,448 1.954,449 2.005,450 0.014,451 5.09,452 1.881,453 2.968,454 2.316,455 4.652,456 2.812,457 1.8,458 1.968,460 4.603,461 1.812,462 29.067,463 0.461,464 2.281,465 0.036,466 57.5,467 0.913,468 17,469 0.27,470 40.5,471 0.643,472 105.486,473 1.674,474 75.333,475 0.579,476 66.315,477 1.053,478 10.101,479 0.16,480 19.462,481 0.309,482 0.255,483 0.034,484 0.381,490 0.857,491 1.479,492 0.897,493 1.325,494 0.659,495 0.915,496 0.619,497 1.28,498 0.829,499 1.167,500 0.462,501 0.981,502 0.983,503 1.168,504 1.069,505 1.182,506 0.899,507 1.068,508 1.213,509 1.172,510 1.043,511 1.109,512 1.062,513 0.956,514 1.102,515 1.026,516 1.041,517 0.962,518 1.087,519 0.959,520 0.975,521 1.135,522 1.006,523 1.133,524 0.973,525 0.92,526 1.021,527 1.148,528 1.008,529 1.113,530 0.94,531 1.017,532 0.998,533 0.91,534 0.989,535 0.891,536 1.037,537 0.966,538 18,539 1.026,540 9.778,541 6.097,542 5.006,543 2.862,544 2.199,545 1.886,546 1.607,547 1.162,548 85357,549 229865,550 1.932,551 51.5,552 23,553 15,554 1,556 8,557 4,558 14,559 2,560 1.907,561 1.734,562 4.206,563 4.067,569 207.736,570 1.598,571 3.513,572 5.134,573 5.985,574 6.145,575 6.222,576 3.661,577 5.723,578 5.949,579 4.456,580 8703.27,581 10.683,582 213282,587 912.908,588 1.733,589 5.853,590 0.269,591 0.009,592 0.101,593 0.059,594 0.047,595 0.026,596 0.019,597 0.015,598 0.013,599 0.009,600 0.566,601 0.17,602 0.38,603 2.166,604 405.21,605 -0.13,606 -0.087,607 0.02,608 -0.028,609 -0.058,610 0.03,611 0.16,612 -0.057,613 0.11,614 -0.002,615 0.137,616 -0.031,617 -0.011,618 -0.001,619 -0.088,620 -0.071,621 -0.057,622 -0.109,623 -0.128,624 -0.044,625 -0.035,626 -0.03,627 -0.077,628 0.007,629 0.073,630 0.047,631 -0.013,632 0.057,633 0.112,634 -0.019,635 0.03,636 0.046,637 -0.018,638 -0.002,639 -0.001,640 0.036,641 -0.07,642 -0.074,643 -0.025,644 -0.077,645 -0.014,646 -0.047,647 0.04,648 0.042,649 0.016,650 0.047,651 0.071,652 0.015,653 3.013,654 7.418,655 0.333,656 108.048,657 1.006,658 1.138,659 -2.304,660 5.31,661 0.619,662 4.22,663 4.605,664 4.868,665 5.1,666 5.308,667 5.434,668 5.553,669 5.697,670 5.793,671 5.9,672 11.774,673 0.651,674 882.98,675 4.22,676 5.808,677 6.671,678 7.579,679 8.471,680 9.387,681 10.295,682 11.22,683 12.139,684 13.073,685 4.6,686 1,692 5,699 4,704 2,706 6,718 1,720 130,721 1,723 13,724 1,725 67,727 134,728 44,729 6,730 2,731 4,735 5,736 8,741 7,742 1,744 1,745 6,746 3,748 15,749 13,750 31,751 5,754 7,759 7,763 7,768 67,769 18,770 8,771 19,775 6,780 0.6,781 12,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 8,821 63,822 1,827 2,828 10,829 4,830 3,832 1,833 11,834 1,835 2,840 9.2,842 2,843 7,844 2,845 1,847 36.333,848 24.683,849 13.653,850 8.15,851 0.613,852 1.067,853 0.959,854 17.072,855 9.763,856 4.357,857 4.816,858 5.131,859 5.438,860 5.758,861 5.774,862 5.883,863 6.053,864 6.202,865 6.413,866 1,867 104,868 24.077,870 10.932,871 8.04,872 44.606,874 38.123,877 2.54,878 160,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.599,928 0.345,929 0.172,930 0.092,931 43,932 26,933 0.157,934 21,935 3,936 1.238,937 6.155,938 744.281,939 0.286,940 20,941 366.569,945 50.582,946 21.263,947 11.893,949 150.083,950 7.746,955 1.782,957 60.694,958 547.756,959 77,964 91.363,968 -5.997,969 130.817,970 147.903,971 0.228,972 0.5,973 0.731,974 0.852,975 0.875,976 0.886,977 5.685,978 2.595,979 6.727,980 8.593,981 5.293,982 5.505,983 3.974,984 7.633,985 5.24,986 6.879,987 2.558,988 8.364,989 7.733,990 5.198,991 5.472,992 3.633,993 8.932,994 5.126,995 8.202,996 2.179,997 10.115,998 7.33,999 7.031,1000 7.425,1001 5.164,1002 12.06,1003 6.923,1004 9.553,1005 2.177,1006 11.937,1007 6.577,1008 7.728,1009 8.121,1010 5.443,1011 14.249,1012 7.6,1013 10.938,1014 2.067,1015 13.809,1016 6.263,1017 9.134,1018 9.648,1019 6.552,1020 17.041,1021 8.977,1022 12.346,1023 2.056,1024 15.721,1025 6.092,1026 10.167,1027 10.636,1028 7.097,1029 19.576,1030 9.992,1031 13.773,1032 1.954,1033 17.663,1034 5.159,1035 11.459,1036 12.027,1037 8.04,1038 22.308,1039 11.261,1040 3.847,1041 1.8,1042 19.631,1043 5.09,1044 12.641,1045 13.149,1046 8.718,1047 24.973,1048 12.426,1049 3.203,1050 15.757,1051 21.62,1052 4.603,1053 13.919,1054 14.493,1055 9.589,1056 27.705,1057 13.684,1058 3.173,1059 12.336,1060 23.627,1061 3.847,1062 15.171,1063 15.685,1064 10.339,1065 30.421,1066 14.92,1067 2.989,1068 11.03,1069 25.648,1070 3.635,1071 16.461,1072 17.013,1073 11.182,1074 33.16,1075 16.193,1076 2.842,1077 9.697,1078 27.682,1079 3.454,1080 17.751,1081 18.247,1082 11.971,1083 35.897,1084 17.467,1085 2.764,1086 9.153,1087 29.725,1088 3.282,1089 19.057,1090 19.57,1091 12.805,1092 38.644,1093 18.757,1094 2.667,1095 8.796,1096 31.778,1097 3.196,1098 20.367,1099 20.833,1100 13.616,1101 41.39,1102 20.051,1103 83113,1104 136700,1105 41.498,1106 80.433,1107 104.051,1108 108.626,1109 108.754,1110 102.607,1111 102.544,1112 114.269,1113 33.809,1114 312.683,1115 99.933,1116 5.847,1117 5.976,1118 7.71,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 50.066,1126 1.553,1127 1.621,1128 1.623,1129 1.531,1130 1.531,1131 1.706,1132 0.505,1133 4.667,1134 1.492,1135 4.103,1136 4.135,1137 4.02,1138 4.019,1139 7.478,1140 3.921,1141 3.971,1142 4.014,1143 3.894,1144 3.873,1145 7.472,1146 3.837,1147 3.912,1148 3.943,1149 3.843,1150 3.775,1151 7.439,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.685,1157 7.429,1158 3.473,1159 3.773,1160 3.821,1161 3.684,1162 3.608,1163 7.426,1164 3.293,1165 3.695,1166 3.748,1167 3.595,1168 3.571,1169 7.423,1170 3.068,1171 3.657,1172 3.699,1173 3.551,1174 3.533,1175 7.421,1176 2.932,1177 3.626,1178 3.671,1179 3.503,1180 3.484,1181 6.352,1182 2.771,1183 0.072,1184 0.059,1185 0.122,1186 0.072,1187 0.057,1188 4.847,1189 0.057,1190 3.976,1191 0.035,1192 8.155,1193 0.235,1194 4.827,1195 0.056,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.922,1208 1.897,1209 2.05,1210 2.021,1211 1.303,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.013,1217 1.277,1218 1.892,1219 1.756,1220 1.709,1221 1.959,1222 1.961,1223 1.239,1224 1.772,1225 1.699,1226 1.65,1227 1.913,1228 1.894,1229 1.216,1230 1.588,1231 1.666,1232 1.621,1233 1.868,1234 1.846,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.826,1241 1.05,1242 1.389,1243 1.56,1244 1.506,1245 1.798,1246 1.733,1247 1.02,1248 1.224,1249 4.905,1251 6.29,1252 3.045,1253 7.859,1254 5.416,1255 9.526,1256 7.564,1257 11.256,1259 15.148,1263 5.668,1264 18.313,1265 2.691,1266 10.915,1267 18.838,1269 -0.702,1270 -6.887,1271 1.496,1272 -0.374,1273 33.733,1274 207.736,1275 456.636,1276 667.411,1277 778.114,1278 798.869,1279 808.869,1280 325.039,1281 9.15,1282 265.02,1283 265.02,1284 26,1285 13.576,1286 3.807,1287 3.459,1288 130.684,1289 447,1290 458,1291 0.137,1292 464.776,1293 878.02,1294 1125.81,1295 146916,1297 46.551,1298 0.739,1299 0.6,1300 46.551,1301 37.81,1302 29.563,1303 0.441,1304 0.332,1305 21.939,1306 28.246,1307 21.193,1308 17.541,1309 29.563,1310 22.241,1311 28.701,1312 0.29,1313 0.194,1314 28.701,1315 19.187,1316 22.735,1317 0.176,1318 0.107,1319 22.735,1320 13.855,1321 17.981,1322 0.11,1323 0.06,1324 17.981,1325 9.746,1326 13.836,1327 0.069,1328 0.033,1329 13.836,1330 6.638,1331 0.22,1332 187.149,1333 0.155,1334 51.3,1335 0.366,1336 332,1337 1022.31,1338 374.694,1339 948.645,1340 1234.48,1341 876,1342 394,1343 849.764,1344 434.266,1345 848.297,1346 1245.48,1347 795,1348 4.699}
{0 CHEMBL107291,1 1.733,2 13.333,3 4.106,4 16.856,5 138.389,6 8.113,7 0.293,8 4.292,9 4.4,10 3.898,11 3.794,12 5.51,13 3.802,14 4.842,15 4.995,16 4.315,17 4.159,18 6.4,19 4.15,20 5.092,21 5.27,22 4.358,23 4.308,24 6.51,25 4.267,26 5.231,27 5.46,28 4.344,29 4.276,30 6.477,31 4.25,32 5.174,33 5.354,34 4.454,35 4.23,36 6.736,37 4.256,38 5.21,39 5.409,40 4.377,41 4.211,42 6.752,43 4.227,44 5.114,45 5.314,46 4.293,47 4.215,48 6.431,49 4.217,50 5.06,51 5.217,52 4.422,53 4.282,54 6.565,55 4.281,56 0.214,57 1.133,58 11.478,59 6.31,60 36.908,61 7.21,62 1.199,63 2.106,64 24.796,65 10.294,66 174.632,67 12.431,68 1.19,69 1.98,70 33.234,71 13.186,72 198.669,73 16.659,74 1.394,75 2.147,76 44.427,77 13.604,78 198.598,79 17.849,80 1.632,81 2.248,82 39.599,83 12.83,84 259.696,85 14.663,86 2.039,87 2.308,88 44.294,89 13.042,90 358.686,91 14.195,92 1.493,93 1.944,94 38.455,95 11.105,96 189.855,97 13.321,98 1.03,99 1.97,100 31.327,101 12.63,102 155.175,103 15.149,105 91,106 57,107 0.273,108 0.608,109 0.757,110 0.802,111 0.834,112 0.848,113 3.693,114 0.885,115 -3.77,116 -3.73,117 -3.55,120 41.8,121 2,122 1,123 1,126 2,128 1,132 1,135 1,136 1,137 1,138 1,140 10,141 2,151 1,153 2,154 1,165 17,167 2,168 2,171 3,173 2,176 17,181 1,182 6,185 4,187 3,190 11,195 10,200 2,203 5,206 6,207 12,210 1,212 4,215 3,219 1,220 11,223 1,224 1,225 6,227 2,231 10,236 4,239 4,244 3,245 15,248 2,250 4,253 9,258 13,261 1,263 4,266 11,270 3509,271 25.178,272 25.178,273 25.178,274 25.178,275 25.178,276 22.768,277 28.37,278 14.932,279 25.663,280 20.23,281 20.23,282 20.23,283 20.23,284 20.23,285 16.429,286 35.066,287 7.161,288 21.03,289 4.333,290 2.213,291 1.269,292 0.982,293 0.78,294 0.691,295 4.368,302 1,303 1069,304 5.477,307 463.035,313 2.137,314 77.319,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.67,323 0.5,324 0.66,325 89,326 520,327 4.463,328 4.61,329 7.213,330 4.266,331 3.368,332 3.756,333 3.975,334 11.99,335 3.08,336 4.366,337 3.794,338 6.454,339 4.037,340 3.065,341 3.605,342 2.204,343 9.981,344 2.975,345 3.935,346 3.645,347 6.005,348 3.597,349 2.66,350 3.45,351 1.966,352 8.363,353 2.577,354 3.906,355 3.545,356 5.543,357 3.571,358 2.587,359 3.441,360 1.793,361 7.548,362 2.5,363 3.774,364 3.272,365 5.424,366 3.525,367 2.546,368 2.921,369 1.197,370 7.104,371 2.421,372 3.636,373 2.946,374 5.335,375 3.324,376 2.361,377 2.835,378 0.814,379 6.875,380 2.241,381 3.495,382 2.761,383 5.011,384 3.159,385 2.165,386 2.669,387 0.68,388 5.996,389 2.126,390 3.424,391 2.391,392 4.953,393 3.041,394 2.035,395 2.489,396 0.363,397 5.704,398 2.031,399 3.109,400 2.365,401 4.718,402 2.712,403 1.756,404 2.153,405 0.181,406 4.993,407 1.664,408 2.91,409 2.227,410 4.299,411 2.473,412 1.478,413 2.061,414 0.141,415 3.449,416 1.467,417 2.871,418 1.807,419 3.651,420 2.415,421 1.414,422 2.017,424 3.127,425 1.415,426 2.647,427 1.741,428 3.612,429 2.35,430 1.364,431 1.572,433 3.045,434 1.299,435 2.5,436 1.456,437 3.48,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1.262,446 3.266,447 2,448 1,449 1.5,451 2.136,452 1,453 2.103,454 1.258,455 3.247,456 1.672,457 0.692,458 0.837,460 1.758,461 0.66,462 17.724,463 0.454,464 1.237,465 0.032,466 45.5,467 1.167,468 21,469 0.538,470 24.5,471 0.628,472 38.316,473 0.982,474 44.076,475 0.658,476 46.86,477 1.202,478 9.619,479 0.247,480 8.816,481 0.226,482 0.18,483 0.028,484 0.305,487 3,490 0.609,491 1.09,492 0.688,493 1.14,494 0.571,495 0.99,496 0.464,497 0.846,498 0.747,499 1.029,500 0.44,501 1.007,502 0.555,503 0.904,504 0.897,505 1.174,506 0.587,507 1.176,508 0.915,509 0.766,510 0.893,511 0.88,512 0.902,513 0.872,514 1.181,515 1.144,516 1.005,517 1.017,518 1.16,519 0.961,520 1.511,521 1.115,522 1.241,523 0.879,524 1.546,525 0.925,526 1.247,527 0.628,528 1.126,529 0.689,530 1.192,531 0.799,532 0.745,533 1,534 0.837,535 1.179,536 0.774,537 1.081,538 10,539 0.446,540 4,541 3,542 2.467,543 1.34,544 0.892,545 0.868,546 0.712,547 0.487,548 22667,549 79371,550 1.945,551 41.8,552 8,553 16,554 1,556 2,558 1,560 1.8,561 1.779,562 3.667,563 0.187,569 116.097,570 1.733,571 3.853,572 4.798,573 5.084,574 5.286,575 5.376,576 3.123,577 4.856,578 5.254,579 3.913,580 2899.52,581 9.305,582 50618.4,587 406.428,588 1.654,589 5.183,590 0.244,591 0.009,592 0.07,593 0.052,594 0.043,595 0.022,596 0.016,597 0.016,598 0.011,599 0.008,600 0.49,601 0.33,602 0.75,603 1.521,604 218.746,605 -0.04,606 -0.087,607 0.018,608 -0.043,609 -0.065,610 -0.001,611 0.353,612 0.205,613 0.102,614 0.005,615 0.289,616 -0.036,617 0.171,618 -0.067,619 -0.024,620 -0.177,621 0.133,622 -0.183,623 -0.046,624 0.038,625 0.099,626 0.047,627 -0.056,628 0.111,629 -0.022,630 -0.137,631 -0.004,632 -0.065,633 0.016,634 -0.037,635 -0.155,636 0.089,637 -0.17,638 0.072,639 -0.14,640 -0.016,641 -0.222,642 0.252,643 -0.147,644 0.217,645 -0.198,646 0.113,647 0.078,648 -0.156,649 0.038,650 -0.175,651 0.098,652 -0.107,653 6.383,654 6.097,655 0.462,656 50.59,657 1.028,658 1.14,659 2.538,660 6.441,661 0.653,662 3.738,663 4.06,664 4.22,665 4.407,666 4.595,667 4.533,668 4.635,669 4.836,670 4.898,671 4.97,672 8.35,673 0.644,674 543.59,675 3.738,676 5.283,677 6.098,678 6.965,679 7.801,680 8.669,681 9.514,682 10.383,683 11.234,684 12.105,685 4.5,692 3,699 10,704 2,706 12,720 67,723 18,724 2,725 41,727 69,728 28,729 12,730 2,731 10,732 5,735 3,736 3,741 3,747 1,748 2,749 20,750 8,751 1,754 6,759 4,761 2,763 6,766 3,768 28,769 11,770 2,771 11,775 3,780 1,781 5,789 3,798 1,800 1,801 1,805 2,806 1,810 1,813 3,817 2,819 3,821 39,828 3,829 2,830 1,833 2,834 1,835 1,839 3,840 7.5,843 4,845 1,847 21.917,848 12.379,849 8.528,850 3.845,851 2.203,852 1.289,853 0.938,854 10.224,855 9.815,856 3.989,857 4.489,858 4.879,859 5.274,860 5.723,861 5.656,862 5.902,863 6.295,864 6.536,865 6.74,866 0.889,867 58,868 15.79,870 7.919,871 8.378,872 26.251,874 20.915,877 2.878,878 112.25,882 306.049,883 181.547,884 39.146,886 111.58,887 44.88,889 181.547,890 417.628,891 84.026,892 17.65,893 57.426,894 104.239,895 117.879,896 65.437,897 18.534,898 294.278,899 7.76,900 306.049,901 220.693,902 156.46,905 294.278,906 168.231,909 73.788,910 134.672,911 12.233,913 350.929,914 150.725,915 181.547,918 313.808,919 42.851,920 134.061,921 36.022,922 156.46,923 306.049,924 195.606,925 181.547,927 0.586,928 0.321,929 0.161,930 0.092,931 23,932 13,933 0.159,934 11,936 1,937 4.702,938 364.717,940 18,941 191.376,945 29.823,946 13.37,947 8.916,949 195.606,950 18.046,955 1.605,957 36.022,958 683.202,959 53,964 49.982,966 2.822,968 -4.372,969 68.85,970 76.374,971 0.286,972 0.635,973 0.791,974 0.838,975 0.871,976 0.886,977 5.242,978 2.035,979 6.116,980 5.996,981 4.745,982 5.176,983 3.891,984 6.919,985 4.672,986 6.443,987 1.756,988 7.684,989 5.704,990 4.511,991 4.956,992 4.182,993 7.98,994 4.336,995 7.744,996 1.478,997 9.361,998 4.993,999 6.375,1000 7.194,1001 5.829,1002 10.991,1003 6.203,1004 9.072,1005 1.414,1006 11.105,1007 3.449,1008 6.909,1009 7.671,1010 6.945,1011 12.865,1012 6.621,1013 10.428,1014 1.364,1015 12.894,1016 3.127,1017 8.317,1018 9.463,1019 8.355,1020 15.487,1021 8.014,1022 11.804,1023 1,1024 14.715,1025 3.045,1026 9.195,1027 10.264,1028 9.678,1029 17.7,1030 8.778,1031 13.197,1032 1,1033 16.562,1034 2.136,1035 10.441,1036 11.859,1037 11.059,1038 20.208,1039 9.986,1040 3.368,1041 0.692,1042 18.429,1043 2.136,1044 11.481,1045 12.838,1046 12.427,1047 22.568,1048 10.92,1049 3.065,1050 11.99,1051 20.313,1052 1.758,1053 12.674,1054 14.325,1055 13.806,1056 25.045,1057 12.055,1058 2.66,1059 9.981,1060 22.212,1061 3.756,1062 13.792,1063 15.412,1064 15.183,1065 27.468,1066 13.074,1067 2.587,1068 8.363,1069 24.122,1070 3.605,1071 14.973,1072 16.834,1073 16.562,1074 29.938,1075 14.182,1076 2.546,1077 7.548,1078 26.042,1079 3.45,1080 16.129,1081 17.991,1082 17.942,1083 32.39,1084 15.243,1085 2.361,1086 7.104,1087 27.97,1088 3.441,1089 17.311,1090 19.37,1091 19.322,1092 34.862,1093 16.345,1094 2.165,1095 6.875,1096 29.906,1097 2.921,1098 18.487,1099 20.573,1100 20.702,1101 37.328,1102 17.428,1103 22461,1104 42319,1105 25.948,1106 43.762,1107 62.447,1108 63.526,1109 62.512,1110 61.07,1111 60.828,1112 75.875,1113 26.627,1114 172.918,1115 58.689,1116 5.44,1117 6.61,1118 7.015,1119 5.343,1120 5.368,1121 6.756,1122 5.723,1123 19.63,1124 5.08,1125 25.561,1126 1.523,1127 1.549,1128 1.525,1129 1.49,1130 1.484,1131 1.851,1132 0.649,1133 4.218,1134 1.431,1135 3.997,1136 4.03,1137 3.94,1138 3.909,1139 8.516,1140 3.907,1141 3.903,1142 3.932,1143 3.83,1144 3.841,1145 7.999,1146 3.834,1147 3.851,1148 3.889,1149 3.791,1150 3.717,1151 7.999,1152 3.729,1153 3.805,1154 3.84,1155 3.754,1156 3.655,1157 7.44,1158 3.667,1159 3.513,1160 3.548,1161 3.475,1162 3.269,1163 7.43,1164 3.294,1165 3.47,1166 3.52,1167 3.398,1168 3.19,1169 7.423,1170 3.231,1171 3.417,1172 3.443,1173 3.315,1174 3.177,1175 7.416,1176 3.217,1177 3.206,1178 3.246,1179 3.111,1180 3.037,1181 4.787,1182 3.046,1183 0.109,1184 0.112,1185 0.176,1186 0.104,1187 0.082,1188 4.463,1189 0.092,1190 4.61,1191 0.097,1192 7.213,1193 0.292,1194 4.266,1195 0.075,1196 3.368,1197 3.756,1198 3.975,1199 11.99,1200 3.08,1201 1.946,1202 1.918,1203 2.065,1204 2.053,1205 1.251,1206 2.052,1207 1.904,1208 1.876,1209 2.033,1210 1.993,1211 1.224,1212 2.007,1213 1.799,1214 1.763,1215 1.98,1216 1.973,1217 1.133,1218 1.971,1219 1.755,1220 1.714,1221 1.886,1222 1.914,1223 0.998,1224 1.909,1225 1.416,1226 1.366,1227 1.62,1228 1.68,1229 0.782,1230 1.659,1231 1.317,1232 1.286,1233 1.503,1234 1.63,1235 0.619,1236 1.57,1237 1.289,1238 1.259,1239 1.441,1240 1.567,1241 0.577,1242 1.525,1243 1.168,1244 1.125,1245 1.417,1246 1.375,1247 0.534,1248 1.385,1249 4.419,1251 5.74,1253 7.233,1255 8.806,1257 10.421,1259 2.731,1261 38.995,1265 -0.391,1266 4.474,1267 5.182,1270 -2.66,1271 0.968,1272 -5.133,1273 43.163,1274 116.097,1275 258.131,1276 321.434,1277 340.654,1278 354.163,1279 360.163,1280 152.311,1281 7.612,1282 106.5,1283 106.5,1284 18,1285 12.652,1286 4.248,1287 3.7,1288 83.277,1289 189,1290 216,1291 0.204,1292 266.006,1293 497.56,1294 640.814,1295 21003,1296 4.5,1297 28.579,1298 0.733,1299 0.547,1300 26.079,1301 21.327,1302 18.435,1303 0.45,1304 0.295,1305 11.865,1306 17.536,1307 11.589,1308 9.644,1309 17.223,1310 12.091,1311 17.518,1312 0.307,1313 0.161,1314 15.607,1315 9.195,1316 12.893,1317 0.192,1318 0.085,1319 11.741,1320 5.702,1321 9.879,1322 0.122,1323 0.047,1324 9.498,1325 3.787,1326 8.107,1327 0.083,1328 0.025,1329 7.441,1330 2.464,1331 0.321,1332 117.467,1333 0.196,1334 35.271,1335 0.557,1336 196,1337 849.322,1338 232.16,1339 726.321,1340 925.6,1341 668,1342 222,1343 623.394,1344 252.233,1345 610.068,1346 903.48,1347 568,1348 5.208}
{0 CHEMBL107656,1 1.653,2 19.548,3 3.648,4 13.308,5 217.07,6 6.912,7 0.091,8 4.904,9 5.029,10 4.37,11 4.372,12 5.988,13 3.604,14 5.511,15 5.693,16 4.797,17 4.818,18 6.612,19 3.979,20 5.886,21 6.097,22 4.918,23 5.038,24 6.961,25 4.108,26 6.044,27 6.283,28 4.952,29 5.079,30 7.127,31 4.095,32 6.025,33 6.249,34 5.001,35 5.068,36 7.313,37 4.083,38 6.04,39 6.265,40 5.027,41 5.16,42 7.162,43 4.051,44 6.152,45 6.386,46 5.099,47 5.229,48 7.243,49 3.991,50 6.244,51 6.484,52 5.15,53 5.266,54 7.459,55 3.844,56 0.307,57 1.894,58 28.793,59 12.416,60 42.615,61 5.941,62 0.977,63 3.129,64 55.921,65 21.289,66 152.114,67 10.295,68 1.758,69 4.072,70 85.312,71 29.156,72 252.649,73 12.922,74 2.187,75 4.365,76 102.766,77 30.962,78 317.965,79 13.497,80 3.115,81 4.205,82 101.739,83 29.495,84 492.592,85 12.767,86 2.435,87 4.614,88 100.906,89 33.614,90 369.557,91 12.644,92 2.131,93 4.847,94 112.506,95 35.233,96 348.793,97 12.582,98 3.409,99 5.079,100 126.165,101 36.984,102 549.788,103 12.223,104 1,105 359,106 98,107 0.232,108 0.495,109 0.711,110 0.834,111 0.857,112 0.868,113 4.145,114 0.992,115 0.47,116 0.29,117 0.05,120 34.1,121 7,122 9,123 4,124 1,126 1,128 6,129 1,130 1,140 4,141 1,142 1,153 7,158 1,159 1,160 1,162 2,164 2,165 19,166 2,167 2,168 7,171 6,173 7,176 19,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 14,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 5,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 9,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 20,228 1,229 1,230 1,231 25,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 18,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 16,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 36,267 1,268 2,270 11156,271 39.459,272 39.459,273 39.459,274 39.459,275 39.459,276 37.642,277 43.716,278 22.418,279 39.981,280 32.42,281 32.42,282 32.42,283 32.42,284 32.42,285 29.395,286 47.048,287 10.569,288 33.287,289 5.325,290 3.45,291 1.911,292 1.032,293 0.867,294 0.788,295 4.825,303 2551,304 7.81,305 150.69,306 395.549,307 684.278,310 636.199,313 3.044,314 127.724,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 139,326 1212,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.615,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 4.016,364 3.668,365 6.223,366 3.828,367 2.842,368 3.196,369 1.956,370 9.153,371 2.796,372 3.993,373 3.612,374 6.099,375 3.736,376 2.764,377 3.146,378 1.928,379 8.795,380 2.699,381 3.88,382 3.585,383 6.063,384 3.627,385 2.654,386 3.017,387 1.905,388 8.593,389 2.587,390 3.764,391 3.527,392 5.799,393 3.572,394 2.578,395 2.909,396 0.632,397 7.733,398 2.566,399 3.621,400 3.315,401 5.64,402 3.5,403 2.553,404 2.728,405 0.382,406 7.146,407 2.347,408 3.527,409 2.951,410 5.409,411 3.186,412 2.179,413 2.69,414 0.265,415 6.572,416 2.166,417 3.452,418 2.77,419 5.302,420 3.072,421 2.095,422 2.608,423 0.159,424 6.094,425 2.055,426 3.404,427 2.636,428 4.89,429 3.055,430 2.067,431 2.586,432 0.107,433 5.693,434 2.022,435 3.245,436 2.52,437 4.69,438 3.038,439 2.056,440 2.273,441 0.014,442 5.159,443 1.962,444 3.004,445 2.441,446 4.66,447 2.919,448 1.953,449 2.005,451 5.09,452 1.876,453 2.967,454 2.316,455 4.652,456 2.812,457 1.8,458 1.968,460 4.603,461 1.812,462 28.519,463 0.46,464 2.319,465 0.037,466 56.25,467 0.907,468 16.5,469 0.266,470 39.75,471 0.641,472 103.438,473 1.668,474 74.081,475 0.588,476 65.064,477 1.049,478 9.82,479 0.158,480 19.205,481 0.31,482 0.252,483 0.035,484 0.388,488 1,490 0.81,491 1.386,492 0.873,493 1.298,494 0.636,495 0.915,496 0.552,497 1.257,498 0.805,499 1.196,500 0.451,501 0.981,502 0.962,503 1.125,504 1.061,505 1.174,506 0.875,507 1.068,508 1.172,509 1.086,510 1.026,511 1.086,512 0.996,513 0.956,514 1.062,515 0.943,516 1.03,517 0.949,518 0.992,519 0.959,520 0.949,521 1.072,522 1.008,523 1.136,524 0.922,525 0.92,526 0.978,527 1.061,528 0.993,529 1.096,530 0.877,531 1.017,532 0.964,533 0.862,534 0.983,535 0.888,536 0.962,537 0.966,538 18,539 1.009,540 9.778,541 6.097,542 4.966,543 2.799,544 2.199,545 1.886,546 1.607,547 1.162,548 81788,549 229652,550 1.931,551 50.8,552 23,553 12,554 1,556 8,557 4,558 14,559 2,560 1.904,561 1.73,562 4.174,563 4.09,569 208.244,570 1.653,571 3.527,572 5.067,573 5.945,574 6.11,575 6.189,576 3.604,577 5.664,578 5.926,579 4.432,580 8381.48,581 10.636,582 202756,587 879.137,588 1.735,589 5.828,590 0.273,591 0.009,592 0.102,593 0.06,594 0.048,595 0.026,596 0.019,597 0.015,598 0.013,599 0.009,600 0.574,601 0.17,602 0.38,603 2.149,604 396.933,605 -0.126,606 -0.067,607 0.014,608 -0.011,609 -0.053,610 0.03,611 0.166,612 -0.086,613 0.109,614 -0.03,615 0.134,616 -0.031,617 -0.016,618 -0.008,619 -0.091,620 -0.075,621 -0.056,622 -0.109,623 -0.127,624 -0.034,625 -0.026,626 -0.019,627 -0.075,628 0.007,629 0.06,630 0.04,631 -0.014,632 0.064,633 0.093,634 -0.019,635 0.019,636 0.041,637 -0.032,638 -0.009,639 -0.012,640 0.036,641 -0.069,642 -0.061,643 -0.021,644 -0.07,645 -0.019,646 -0.047,647 0.031,648 0.028,649 0.012,650 0.045,651 0.057,652 0.015,653 3.02,654 7.372,655 0.339,656 103.897,657 1.009,658 1.14,659 -1.699,660 2.888,661 0.62,662 4.205,663 4.595,664 4.852,665 5.088,666 5.298,667 5.416,668 5.537,669 5.69,670 5.781,671 5.883,672 11.612,673 0.651,674 870.94,675 4.205,676 5.796,677 6.658,678 7.568,679 8.459,680 9.377,681 10.285,682 11.21,683 12.13,684 13.065,685 4.8,686 1,692 5,699 4,704 2,706 6,719 1,720 126,721 1,723 13,724 1,725 66,727 130,728 43,729 6,730 2,731 4,735 5,736 8,741 7,742 1,744 1,745 6,746 3,748 15,749 13,750 30,751 5,754 7,759 7,763 7,766 1,768 64,769 18,770 8,771 19,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 7,819 1,821 62,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 2,839 1,840 8.7,842 2,843 7,844 2,847 35.833,848 23.66,849 13.319,850 7.977,851 0.579,852 1.064,853 0.959,854 16.464,855 9.696,856 4.344,857 4.808,858 5.113,859 5.418,860 5.736,861 5.72,862 5.82,863 6.037,864 6.174,865 6.38,866 0.923,867 102,868 23.755,870 10.908,871 8.121,872 43.717,874 37.605,877 2.621,878 162.5,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.601,928 0.343,929 0.171,930 0.093,931 43,932 26,933 0.154,934 20,935 3,936 1.238,937 6.085,938 729.813,939 0.286,940 20,941 359.16,945 49.572,946 20.592,947 11.641,949 150.083,950 6.184,955 0.523,957 60.694,958 547.756,959 76,964 91.146,968 -6.115,969 127.119,970 143.618,971 0.237,972 0.506,973 0.726,974 0.852,975 0.876,976 0.887,977 5.675,978 2.578,979 6.718,980 8.593,981 5.283,982 5.497,983 3.946,984 7.624,985 5.231,986 6.871,987 2.553,988 8.355,989 7.733,990 5.198,991 5.472,992 3.633,993 8.925,994 5.122,995 8.196,996 2.179,997 10.107,998 7.146,999 7.022,1000 7.417,1001 5.157,1002 12.054,1003 6.915,1004 9.547,1005 2.095,1006 11.929,1007 6.572,1008 7.724,1009 8.114,1010 5.443,1011 14.245,1012 7.595,1013 10.932,1014 2.067,1015 13.803,1016 6.094,1017 9.127,1018 9.638,1019 6.551,1020 17.039,1021 8.971,1022 12.339,1023 2.056,1024 15.715,1025 5.693,1026 10.163,1027 10.626,1028 7.097,1029 19.575,1030 9.987,1031 13.767,1032 1.953,1033 17.658,1034 5.159,1035 11.455,1036 12.015,1037 8.039,1038 22.307,1039 11.257,1040 3.847,1041 1.8,1042 19.627,1043 5.09,1044 12.638,1045 13.135,1046 8.718,1047 24.973,1048 12.423,1049 3.203,1050 15.757,1051 21.617,1052 4.603,1053 13.916,1054 14.479,1055 9.589,1056 27.705,1057 13.682,1058 3.173,1059 12.336,1060 23.625,1061 3.847,1062 15.17,1063 15.669,1064 10.339,1065 30.421,1066 14.919,1067 2.989,1068 11.03,1069 25.646,1070 3.615,1071 16.46,1072 16.997,1073 11.182,1074 33.16,1075 16.192,1076 2.842,1077 9.697,1078 27.68,1079 3.454,1080 17.75,1081 18.229,1082 11.971,1083 35.897,1084 17.466,1085 2.764,1086 9.153,1087 29.724,1088 3.282,1089 19.056,1090 19.552,1091 12.805,1092 38.644,1093 18.756,1094 2.654,1095 8.795,1096 31.777,1097 3.196,1098 20.366,1099 20.813,1100 13.616,1101 41.39,1102 20.051,1103 79515,1104 133479,1105 40.805,1106 78.154,1107 102.819,1108 107.428,1109 107.248,1110 101.514,1111 101.308,1112 113.035,1113 32.089,1114 309.68,1115 98.811,1116 5.847,1117 5.976,1118 7.63,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 49.508,1126 1.558,1127 1.628,1128 1.625,1129 1.538,1130 1.535,1131 1.713,1132 0.486,1133 4.692,1134 1.497,1135 4.102,1136 4.134,1137 4.02,1138 4.018,1139 8.202,1140 3.921,1141 3.97,1142 4.014,1143 3.894,1144 3.871,1145 7.478,1146 3.837,1147 3.911,1148 3.946,1149 3.846,1150 3.775,1151 7.472,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.685,1157 7.439,1158 3.473,1159 3.773,1160 3.821,1161 3.684,1162 3.607,1163 7.429,1164 3.293,1165 3.695,1166 3.748,1167 3.595,1168 3.571,1169 7.426,1170 3.068,1171 3.657,1172 3.699,1173 3.551,1174 3.533,1175 7.423,1176 2.932,1177 3.624,1178 3.67,1179 3.503,1180 3.484,1181 7.421,1182 2.771,1183 0.073,1184 0.06,1185 0.124,1186 0.073,1187 0.058,1188 4.847,1189 0.058,1190 3.976,1191 0.035,1192 8.155,1193 0.239,1194 4.827,1195 0.057,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.92,1208 1.892,1209 2.046,1210 2.02,1211 1.302,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.011,1217 1.277,1218 1.892,1219 1.756,1220 1.709,1221 1.959,1222 1.961,1223 1.239,1224 1.772,1225 1.699,1226 1.65,1227 1.913,1228 1.894,1229 1.215,1230 1.588,1231 1.665,1232 1.62,1233 1.867,1234 1.844,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.826,1241 1.05,1242 1.389,1243 1.559,1244 1.503,1245 1.792,1246 1.732,1247 1.012,1248 1.224,1249 4.89,1251 6.279,1252 3.045,1253 7.849,1254 5.416,1255 9.516,1256 7.564,1257 11.248,1259 13.401,1261 13.746,1263 5.657,1264 18.287,1265 2.339,1266 10.806,1267 13.387,1269 -0.75,1270 -7.145,1271 1.465,1272 -0.429,1273 33.733,1274 208.244,1275 444.418,1276 638.395,1277 749.098,1278 769.853,1279 779.853,1280 331.767,1281 9.117,1282 255.79,1283 255.79,1284 26,1285 13.567,1286 3.807,1287 3.459,1288 127.352,1289 435,1290 444,1291 0.138,1292 452.386,1293 858,1294 1095.58,1295 141787,1296 0.8,1297 45.844,1298 0.739,1299 0.593,1300 44.974,1301 36.78,1302 29.025,1303 0.44,1304 0.331,1305 21.532,1306 27.747,1307 20.851,1308 17.214,1309 28.631,1310 21.818,1311 28.532,1312 0.291,1313 0.194,1314 27.91,1315 18.965,1316 22.326,1317 0.176,1318 0.107,1319 21.916,1320 13.609,1321 17.671,1322 0.11,1323 0.06,1324 17.529,1325 9.605,1326 13.738,1327 0.069,1328 0.033,1329 13.454,1330 6.564,1331 0.22,1332 183.672,1333 0.157,1334 50.654,1335 0.367,1336 328,1337 1060.69,1338 371.647,1339 964.436,1340 1245.48,1341 888,1342 389,1343 852.552,1344 429.518,1345 844.269,1346 1241.24,1347 793,1348 7.301}
{0 CHEMBL107869,1 1.72,2 20.292,3 4.385,4 19.226,5 222.828,6 7.139,7 0.087,8 4.932,9 5.055,10 4.421,11 4.392,12 6.034,13 3.604,14 5.55,15 5.729,16 4.884,17 4.839,18 6.855,19 3.979,20 5.905,21 6.112,22 4.977,23 5.062,24 7.012,25 4.108,26 6.08,27 6.317,28 5.018,29 5.103,30 7.218,31 4.095,32 6.054,33 6.278,34 5.034,35 5.083,36 7.364,37 4.083,38 6.047,39 6.27,40 5.053,41 5.173,42 7.171,43 4.051,44 6.176,45 6.409,46 5.129,47 5.244,48 7.286,49 3.991,50 6.266,51 6.505,52 5.175,53 5.285,54 7.485,55 3.844,56 0.406,57 2.055,58 28.527,59 12.833,60 62.813,61 5.941,62 1.697,63 3.709,64 58.265,65 21.993,66 283.242,67 10.295,68 1.972,69 4.234,70 85.708,71 29.921,72 276.86,73 12.922,74 2.728,75 4.649,76 107.343,77 32.069,78 390.613,79 13.497,80 3.593,81 4.376,82 105.386,83 30.246,84 558.589,85 12.767,86 2.68,87 4.606,88 100.721,89 33.98,90 407.267,91 12.644,92 2.664,93 4.962,94 115.519,95 36.005,96 423.652,97 12.582,98 3.803,99 5.094,100 129.669,101 37.779,102 625.042,103 12.223,104 1,105 444,106 104,107 0.24,108 0.501,109 0.709,110 0.829,111 0.856,112 0.867,113 4.191,114 0.976,115 0.14,116 -0.02,117 -0.22,120 34.1,121 7,122 9,123 4,124 1,126 1,128 6,129 1,130 1,132 1,140 4,141 2,153 7,158 1,159 1,160 1,162 2,164 2,165 21,166 2,167 2,168 7,171 6,173 7,176 21,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 15,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 6,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 10,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 20,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 16,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 17,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 36,267 1,268 2,270 12935,271 40.931,272 40.931,273 40.931,274 40.931,275 40.931,276 39.205,277 46.544,278 23.049,279 41.641,280 33.895,281 33.895,282 33.895,283 33.895,284 33.895,285 30.933,286 50.54,287 10.836,288 35.122,289 5.291,290 3.422,291 1.934,292 1.076,293 0.884,294 0.807,295 4.869,303 2761,304 8.185,305 160.128,306 419.574,307 723.888,310 676.296,313 3.11,314 147.608,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 148,326 1319,327 4.847,328 4.46,329 8.155,330 4.827,331 3.847,332 3.848,333 3.825,334 15.757,335 3.774,336 4.439,337 3.976,338 7.324,339 4.171,340 3.313,341 3.834,342 2.341,343 12.336,344 3.085,345 4.302,346 3.96,347 7.111,348 4.164,349 3.203,350 3.454,351 2.341,352 11.657,353 3.042,354 4.191,355 3.844,356 6.781,357 4.139,358 3.173,359 3.282,360 2.022,361 11.03,362 2.931,363 4.122,364 3.757,365 6.399,366 3.973,367 2.989,368 3.201,369 1.993,370 9.697,371 2.881,372 3.994,373 3.668,374 6.223,375 3.827,376 2.842,377 3.159,378 1.956,379 9.153,380 2.796,381 3.889,382 3.612,383 6.099,384 3.734,385 2.762,386 3.146,387 1.928,388 8.795,389 2.698,390 3.823,391 3.585,392 6.063,393 3.591,394 2.636,395 3.015,396 1.905,397 8.593,398 2.568,399 3.761,400 3.527,401 5.799,402 3.558,403 2.563,404 2.908,405 0.632,406 7.733,407 2.468,408 3.601,409 3.315,410 5.64,411 3.418,412 2.456,413 2.69,414 0.382,415 7.001,416 2.301,417 3.527,418 2.813,419 5.352,420 3.186,421 2.179,422 2.618,423 0.265,424 6.569,425 2.166,426 3.452,427 2.681,428 5.301,429 3.072,430 2.068,431 2.603,432 0.159,433 6.093,434 2.055,435 3.246,436 2.599,437 4.69,438 3.05,439 2.056,440 2.274,441 0.107,442 5.159,443 2.018,444 3.004,445 2.441,446 4.66,447 2.924,448 1.957,449 2.06,450 0.014,451 5.09,452 1.884,453 2.978,454 2.316,455 4.652,456 2.812,457 1.8,458 2.005,460 4.737,461 1.812,462 29.59,463 0.455,464 2.608,465 0.04,466 58.25,467 0.896,468 16.5,469 0.254,470 41.75,471 0.642,472 109.791,473 1.689,474 78.41,475 0.608,476 71.368,477 1.098,478 10.295,479 0.158,480 19.941,481 0.307,482 0.262,483 0.051,484 0.374,487 3,490 0.756,491 1.29,492 0.829,493 1.302,494 0.632,495 0.915,496 0.477,497 1.076,498 0.757,499 1.172,500 0.396,501 0.981,502 0.819,503 1.03,504 0.995,505 1.189,506 0.733,507 1.068,508 1.102,509 1.048,510 1.011,511 1.091,512 0.943,513 0.956,514 1.016,515 0.882,516 1.031,517 0.937,518 0.951,519 0.959,520 0.783,521 0.935,522 0.952,523 1.145,524 0.753,525 0.92,526 0.898,527 0.958,528 0.98,529 1.09,530 0.808,531 1.017,532 0.882,533 0.776,534 0.973,535 0.873,536 0.878,537 0.966,538 20,539 1.088,540 10.667,541 6.597,542 5.086,543 3.098,544 2.28,545 1.917,546 1.681,547 1.262,548 92507,549 287369,550 1.914,551 49.6,552 23,553 12,554 1,556 8,557 4,558 14,559 2,560 1.914,561 1.707,562 4.223,563 4.053,569 221.915,570 1.72,571 3.589,572 5.077,573 5.935,574 6.127,575 6.205,576 3.672,577 5.568,578 5.993,579 4.491,580 9341.25,581 10.774,582 234596,587 904.448,588 1.78,589 5.887,590 0.29,591 0.009,592 0.105,593 0.061,594 0.046,595 0.028,596 0.019,597 0.015,598 0.013,599 0.01,600 0.596,601 0.17,602 0.38,603 2.136,604 421.662,605 -0.112,606 -0.062,607 0.009,608 -0.011,609 -0.065,610 0.03,611 0.277,612 0.074,613 0.141,614 -0.006,615 0.258,616 -0.031,617 -0.007,618 -0.043,619 -0.068,620 -0.086,621 -0.028,622 -0.109,623 -0.126,624 -0.055,625 -0.027,626 -0.027,627 -0.069,628 0.007,629 0.013,630 0.043,631 -0.036,632 0.072,633 0.046,634 -0.019,635 0.025,636 0.016,637 -0.021,638 -0.018,640 0.036,641 -0.072,642 -0.046,643 -0.033,644 -0.067,645 -0.027,646 -0.047,647 0.007,648 0.035,649 -0.003,650 0.058,651 0.024,652 0.015,653 5.745,654 7.394,655 0.323,656 114.646,657 1.016,658 1.145,659 -1.372,660 1.883,661 0.619,662 4.248,663 4.654,664 4.898,665 5.124,666 5.328,667 5.468,668 5.583,669 5.71,670 5.817,671 5.932,672 12.054,673 0.651,674 920.95,675 4.248,676 5.849,677 6.711,678 7.625,679 8.515,680 9.435,681 10.34,682 11.267,683 12.184,684 13.118,685 4.7,686 1,692 5,699 4,704 2,706 6,720 129,721 1,723 13,724 1,725 69,727 133,728 44,729 6,730 2,731 4,735 5,736 8,741 8,742 1,744 1,745 6,746 3,747 1,748 15,749 13,750 31,751 5,754 7,759 7,763 7,766 3,768 64,769 20,770 8,771 21,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 7,819 3,821 65,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 3,839 3,840 8.5,842 2,843 7,844 2,847 38.083,848 24.195,849 13.819,850 8.111,851 0.671,852 1.073,853 0.959,854 17.058,855 9.886,856 4.382,857 4.856,858 5.166,859 5.476,860 5.799,861 5.874,862 5.999,863 6.084,864 6.255,865 6.478,866 1,867 108,868 25.377,870 12.11,871 8.265,872 45.319,874 38.972,877 2.765,878 179.75,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.607,928 0.342,929 0.168,930 0.089,931 46,932 28,933 0.15,934 20,935 3,936 1.238,937 6.237,938 777.536,939 0.286,940 20,941 376.699,945 52.399,946 21.16,947 12.315,949 150.083,950 4.837,955 -0.158,957 60.694,958 547.756,959 79,964 91.246,968 -6.39,969 131.028,970 147.713,971 0.245,972 0.512,973 0.724,974 0.847,975 0.874,976 0.885,977 5.725,978 2.636,979 6.788,980 8.795,981 5.342,982 5.545,983 4.271,984 7.708,985 5.275,986 6.935,987 2.563,988 8.438,989 8.593,990 5.323,991 5.568,992 4.459,993 9.066,994 5.195,995 8.27,996 2.456,997 10.203,998 7.733,999 7.114,1000 7.486,1001 5.988,1002 12.164,1003 6.968,1004 9.632,1005 2.179,1006 12.038,1007 7.001,1008 7.86,1009 8.227,1010 6.941,1011 14.364,1012 7.66,1013 11.028,1014 2.068,1015 13.921,1016 6.569,1017 9.25,1018 9.742,1019 8.258,1020 17.136,1021 9.027,1022 12.445,1023 2.056,1024 15.84,1025 6.093,1026 10.304,1027 10.767,1028 9.485,1029 19.66,1030 10.043,1031 13.881,1032 1.957,1033 17.786,1034 5.159,1035 11.589,1036 12.157,1037 10.8,1038 22.375,1039 11.305,1040 3.847,1041 1.8,1042 19.755,1043 5.09,1044 12.775,1045 13.311,1046 12.108,1047 25.028,1048 12.466,1049 3.313,1050 15.757,1051 21.742,1052 4.737,1053 14.045,1054 14.661,1055 13.438,1056 27.747,1057 13.718,1058 3.203,1059 12.336,1060 23.745,1061 3.848,1062 15.293,1063 15.882,1064 14.77,1065 30.453,1066 14.95,1067 3.173,1068 11.657,1069 25.76,1070 3.834,1071 16.574,1072 17.218,1073 16.107,1074 33.185,1075 16.218,1076 2.989,1077 11.03,1078 27.787,1079 3.454,1080 17.855,1081 18.479,1082 17.445,1083 35.916,1084 17.487,1085 2.842,1086 9.697,1087 29.823,1088 3.282,1089 19.151,1090 19.812,1091 18.785,1092 38.658,1093 18.773,1094 2.762,1095 9.153,1096 31.867,1097 3.201,1098 20.452,1099 21.099,1100 20.126,1101 41.401,1102 20.064,1103 90333,1104 159522,1105 42.191,1106 79.791,1107 108.334,1108 111.574,1109 112.309,1110 107.025,1111 106.641,1112 118.375,1113 39.74,1114 330.556,1115 103.157,1116 5.847,1117 6.46,1118 7.63,1119 5.96,1120 5.847,1121 6.848,1122 5.409,1123 24.986,1124 5.774,1125 54.058,1126 1.57,1127 1.617,1128 1.628,1129 1.551,1130 1.546,1131 1.716,1132 0.576,1133 4.791,1134 1.495,1135 4.104,1136 4.136,1137 4.022,1138 4.02,1139 8.513,1140 3.921,1141 3.979,1142 4.019,1143 3.913,1144 3.893,1145 7.999,1146 3.837,1147 3.926,1148 3.963,1149 3.862,1150 3.777,1151 7.999,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.686,1157 7.478,1158 3.473,1159 3.773,1160 3.821,1161 3.685,1162 3.609,1163 7.472,1164 3.293,1165 3.697,1166 3.749,1167 3.598,1168 3.576,1169 7.439,1170 3.068,1171 3.659,1172 3.7,1173 3.558,1174 3.534,1175 7.429,1176 2.932,1177 3.634,1178 3.684,1179 3.51,1180 3.484,1181 7.426,1182 2.771,1183 0.07,1184 0.065,1185 0.118,1186 0.07,1187 0.056,1188 4.847,1189 0.056,1190 4.46,1191 0.055,1192 8.155,1193 0.228,1194 4.827,1195 0.055,1196 3.847,1197 3.848,1198 3.825,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.939,1208 1.913,1209 2.058,1210 2.029,1211 1.307,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.017,1217 1.277,1218 1.892,1219 1.756,1220 1.71,1221 1.959,1222 1.961,1223 1.239,1224 1.772,1225 1.7,1226 1.651,1227 1.913,1228 1.895,1229 1.216,1230 1.588,1231 1.67,1232 1.625,1233 1.869,1234 1.849,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.826,1241 1.05,1242 1.389,1243 1.565,1244 1.511,1245 1.802,1246 1.735,1247 1.043,1248 1.224,1249 4.934,1251 6.333,1252 3.045,1253 7.91,1254 5.416,1255 9.58,1256 7.564,1257 11.311,1259 13.126,1261 39.97,1263 5.65,1264 18.291,1265 1.578,1266 10.646,1267 13.299,1269 -0.867,1270 -7.812,1271 1.406,1272 -5.072,1273 33.733,1274 221.915,1275 462.974,1276 654.951,1277 765.654,1278 790.409,1279 800.409,1280 375.666,1281 9.214,1282 255.79,1283 255.79,1284 26,1285 13.621,1286 3.807,1287 3.459,1288 137.483,1289 471,1290 486,1291 0.137,1292 464.375,1293 887.44,1294 1124.83,1295 157180,1296 2.3,1297 48.344,1298 0.744,1299 0.585,1300 45.844,1301 38.036,1302 30.236,1303 0.438,1304 0.325,1305 22.11,1306 28.78,1307 21.458,1308 17.676,1309 29.025,1310 22.446,1311 30.49,1312 0.293,1313 0.188,1314 28.532,1315 19.534,1316 23.262,1317 0.175,1318 0.105,1319 22.326,1320 13.977,1321 18.37,1322 0.11,1323 0.059,1324 17.671,1325 9.814,1326 14.003,1327 0.068,1328 0.033,1329 13.738,1330 6.684,1331 0.219,1332 192.324,1333 0.154,1334 52.546,1335 0.364,1336 346,1337 1250.91,1338 402.833,1339 1090.85,1340 1394.16,1341 1002,1342 410,1343 943.218,1344 458.084,1345 922.578,1346 1376.6,1347 865,1348 4.796}
{0 CHEMBL108189,1 1.604,2 18.867,3 2.986,4 8.918,5 212.253,6 6.82,7 0.094,8 4.878,9 5.004,10 4.336,11 4.35,12 5.949,13 3.604,14 5.484,15 5.666,16 4.76,17 4.798,18 6.564,19 3.979,20 5.857,21 6.067,22 4.884,23 5.019,24 6.91,25 4.108,26 6.02,27 6.259,28 4.935,29 5.062,30 7.097,31 4.095,32 6,33 6.221,34 4.997,35 5.054,36 7.303,37 4.083,38 6.021,39 6.244,40 5.02,41 5.142,42 7.145,43 4.051,44 6.125,45 6.355,46 5.082,47 5.214,48 7.221,49 3.991,50 6.212,51 6.448,52 5.119,53 5.26,54 7.425,55 3.844,56 0.269,57 1.796,58 28.458,59 12.035,60 37.692,61 5.941,62 0.912,63 2.976,64 54.739,65 20.655,66 142.013,67 10.295,68 1.583,69 3.895,70 82.754,71 28.356,72 225.869,73 12.922,74 1.925,75 4.269,76 100.064,77 30.178,78 286.273,79 13.497,80 2.944,81 4.193,82 99.143,83 28.994,84 472.033,85 12.767,86 2.29,87 4.465,88 99.077,89 32.672,90 337.819,91 12.644,92 1.882,93 4.694,94 109.116,95 34.252,96 319.877,97 12.582,98 3.006,99 4.878,100 121.295,101 36.087,102 508.391,103 12.223,104 1,105 324,106 95,107 0.226,108 0.493,109 0.706,110 0.828,111 0.855,112 0.867,113 4.113,114 0.995,115 0.99,116 0.79,117 0.49,120 34.1,121 7,122 8,123 4,124 1,126 1,128 6,129 1,130 1,140 5,141 1,153 7,158 1,159 1,160 1,162 2,164 2,165 20,166 2,167 2,168 7,171 6,173 7,176 20,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 13,193 1,195 21,196 1,197 1,198 1,199 1,200 6,201 2,202 1,203 4,206 8,207 13,208 1,210 6,211 2,212 10,213 1,215 9,217 1,219 3,220 14,221 1,222 1,223 7,224 4,225 12,226 1,227 20,228 1,229 1,230 1,231 24,232 1,234 1,236 6,237 2,239 20,240 3,243 1,244 7,245 17,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 26,254 2,255 1,256 1,257 1,258 16,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 34,267 1,268 2,270 10068,271 38.304,272 38.304,273 38.304,274 38.304,275 38.304,276 36.512,277 40.257,278 21.886,279 38.763,280 31.471,281 31.471,282 31.471,283 31.471,284 31.471,285 28.518,286 42.511,287 10.334,288 32.206,289 5.338,290 3.446,291 1.929,292 1.063,293 0.872,294 0.791,295 4.794,303 2392,304 7.714,305 144.314,306 379.071,307 651.918,310 608.943,313 3.018,314 116.457,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 133.5,326 1132,327 4.847,328 3.977,329 8.155,330 4.827,331 3.847,332 3.848,333 2.341,334 15.757,335 3.774,336 4.303,337 3.96,338 7.324,339 4.166,340 3.205,341 3.472,342 2.341,343 12.336,344 3.085,345 4.195,346 3.844,347 6.781,348 4.139,349 3.173,350 3.444,351 2.022,352 11.03,353 3.043,354 4.122,355 3.757,356 6.399,357 3.973,358 2.99,359 3.281,360 1.993,361 9.699,362 2.931,363 3.998,364 3.669,365 6.231,366 3.829,367 2.846,368 3.189,369 1.956,370 9.226,371 2.796,372 3.95,373 3.613,374 6.116,375 3.75,376 2.782,377 3.146,378 1.928,379 8.838,380 2.705,381 3.852,382 3.585,383 6.065,384 3.637,385 2.664,386 3.013,387 1.905,388 8.609,389 2.585,390 3.758,391 3.527,392 5.799,393 3.568,394 2.565,395 2.907,396 0.632,397 7.733,398 2.56,399 3.558,400 3.317,401 5.645,402 3.342,403 2.38,404 2.69,405 0.382,406 6.91,407 2.242,408 3.526,409 2.897,410 5.319,411 3.186,412 2.179,413 2.61,414 0.265,415 6.517,416 2.166,417 3.452,418 2.655,419 5.295,420 3.072,421 2.067,422 2.596,423 0.159,424 6.09,425 2.055,426 3.245,427 2.48,428 4.689,429 3.049,430 2.056,431 2.275,432 0.107,433 5.159,434 2.016,435 3.004,436 2.438,437 4.66,438 2.918,439 1.951,440 2.058,441 0.014,442 5.09,443 1.878,444 2.976,445 2.316,446 4.651,447 2.812,448 1.8,449 2.004,451 4.601,452 1.812,453 2.881,454 2.21,455 4.632,456 2.586,457 1.578,458 1.949,460 4.339,461 1.582,462 27.733,463 0.462,464 2.213,465 0.037,466 55,467 0.917,468 16.5,469 0.275,470 38.5,471 0.642,472 98.423,473 1.64,474 71.267,475 0.579,476 62.836,477 1.047,478 9.616,479 0.16,480 18.515,481 0.309,482 0.249,483 0.036,484 0.381,490 0.85,491 1.454,492 0.894,493 1.295,494 0.656,495 0.915,496 0.555,497 1.301,498 0.823,499 1.189,500 0.45,501 0.981,502 0.981,503 1.162,504 1.073,505 1.18,506 0.892,507 1.068,508 1.244,509 1.13,510 1.021,511 1.054,512 1.054,513 0.956,514 1.153,515 1.066,516 1.04,517 0.997,518 1.096,519 0.959,520 1.028,521 1.104,522 1.009,523 1.108,524 0.957,525 0.92,526 1.035,527 1.108,528 1.007,529 1.075,530 0.964,531 1.017,532 0.996,533 0.906,534 1.025,535 0.893,536 1.035,537 0.966,538 17,539 0.857,540 9.111,541 6.16,542 4.855,543 2.605,544 2.316,545 1.813,546 1.55,547 1.077,548 74730,549 198782,550 1.938,551 51.2,552 21,553 13,554 1,556 8,557 4,558 14,559 2,560 1.896,561 1.739,562 4.134,563 4.121,569 197.32,570 1.604,571 3.497,572 5.013,573 5.879,574 6.07,575 6.152,576 3.578,577 5.607,578 5.88,579 4.394,580 7777.54,581 10.538,582 182673,587 853.929,588 1.737,589 5.782,590 0.266,591 0.008,592 0.098,593 0.062,594 0.047,595 0.024,596 0.02,597 0.015,598 0.013,599 0.009,600 0.562,601 0.17,602 0.38,603 2.186,604 380.433,605 -0.137,606 -0.071,607 0.016,608 -0.011,609 -0.06,610 0.03,611 0.188,612 -0.074,613 0.107,614 -0.024,615 0.139,616 -0.031,617 -0.003,618 -0.004,619 -0.093,620 -0.078,621 -0.059,622 -0.109,623 -0.129,624 -0.027,625 -0.007,626 0.003,627 -0.072,628 0.007,629 0.087,630 0.046,631 -0.003,632 0.05,633 0.117,634 -0.019,635 0.026,636 0.059,637 -0.013,638 0.006,639 0.001,640 0.036,641 -0.074,642 -0.067,643 -0.022,644 -0.064,645 -0.023,646 -0.047,647 0.039,648 0.045,649 -0.022,650 0.04,651 0.058,652 0.015,653 3.011,654 7.356,655 0.35,656 95.687,657 1.006,658 1.137,659 -2.217,660 4.913,661 0.622,662 4.174,663 4.564,664 4.828,665 5.075,666 5.283,667 5.407,668 5.549,669 5.707,670 5.79,671 5.894,672 11.299,673 0.651,674 838.92,675 4.174,676 5.765,677 6.629,678 7.542,679 8.436,680 9.356,681 10.267,682 11.196,683 12.118,684 13.056,685 4.9,686 1,692 5,699 5,704 1,706 6,720 123,721 1,723 13,724 1,725 64,727 127,728 42,729 6,730 1,731 5,735 5,736 8,741 7,742 1,744 1,745 6,746 3,748 14,749 13,750 29,751 5,754 7,759 7,763 7,768 63,769 17,770 8,771 18,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 7,821 60,822 1,827 2,828 9,829 4,830 2,832 1,833 11,834 1,835 2,840 8.9,842 2,843 7,844 2,847 34.5,848 23.1,849 12.903,850 7.747,851 0.546,852 1.06,853 0.959,854 15.707,855 9.611,856 4.317,857 4.775,858 5.08,859 5.392,860 5.695,861 5.688,862 5.873,863 6.118,864 6.258,865 6.463,866 1,867 99,868 22.958,870 10.505,871 8.056,872 42.48,874 36.569,877 2.556,878 153.333,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.6,928 0.343,929 0.174,930 0.093,931 42,932 25,933 0.15,934 19,935 3,936 1.238,937 5.943,938 702.395,939 0.286,940 20,941 344.413,945 47.668,946 19.77,947 10.996,949 150.083,950 9.776,955 0.991,957 60.694,958 547.756,959 74,964 91.068,968 -5.977,969 123.723,970 139.863,971 0.231,972 0.504,973 0.722,974 0.847,975 0.874,976 0.886,977 5.647,978 2.565,979 6.688,980 8.609,981 5.252,982 5.464,983 3.946,984 7.6,985 5.205,986 6.841,987 2.38,988 8.328,989 7.733,990 5.165,991 5.414,992 3.633,993 8.911,994 5.097,995 8.164,996 2.179,997 10.083,998 6.91,999 6.995,1000 7.368,1001 5.157,1002 12.047,1003 6.894,1004 9.514,1005 2.067,1006 11.91,1007 6.517,1008 7.701,1009 8.047,1010 5.443,1011 14.242,1012 7.579,1013 10.899,1014 2.056,1015 13.788,1016 6.09,1017 9.11,1018 9.577,1019 6.551,1020 17.038,1021 8.958,1022 12.308,1023 1.951,1024 15.704,1025 5.159,1026 10.15,1027 10.549,1028 7.097,1029 19.575,1030 9.979,1031 13.737,1032 1.8,1033 17.651,1034 5.09,1035 11.445,1036 11.942,1037 8.039,1038 22.308,1039 11.25,1040 3.847,1041 1.578,1042 19.622,1043 4.601,1044 12.632,1045 13.049,1046 8.718,1047 24.974,1048 12.419,1049 3.205,1050 15.757,1051 21.614,1052 4.339,1053 13.912,1054 14.394,1055 9.589,1056 27.705,1057 13.679,1058 3.173,1059 12.336,1060 23.623,1061 3.848,1062 15.167,1063 15.573,1064 10.339,1065 30.421,1066 14.917,1067 2.99,1068 11.03,1069 25.645,1070 3.472,1071 16.458,1072 16.9,1073 11.182,1074 33.161,1075 16.191,1076 2.846,1077 9.699,1078 27.68,1079 3.444,1080 17.749,1081 18.124,1082 11.971,1083 35.898,1084 17.465,1085 2.782,1086 9.226,1087 29.724,1088 3.281,1089 19.056,1090 19.446,1091 12.805,1092 38.644,1093 18.756,1094 2.664,1095 8.838,1096 31.777,1097 3.189,1098 20.367,1099 20.701,1100 13.616,1101 41.39,1102 20.051,1103 72516,1104 118567,1105 39.706,1106 76.455,1107 99.811,1108 104.199,1109 103.732,1110 98.402,1111 98.275,1112 109.798,1113 32.089,1114 300.521,1115 96.159,1116 5.847,1117 5.977,1118 7.957,1119 5.96,1120 5.847,1121 6.848,1122 3.925,1123 24.986,1124 5.774,1125 46.935,1126 1.56,1127 1.628,1128 1.621,1129 1.538,1130 1.536,1131 1.716,1132 0.501,1133 4.696,1134 1.502,1135 4.102,1136 4.134,1137 4.02,1138 4.019,1139 7.478,1140 3.921,1141 3.968,1142 4.012,1143 3.889,1144 3.871,1145 7.472,1146 3.837,1147 3.899,1148 3.934,1149 3.823,1150 3.772,1151 7.439,1152 3.649,1153 3.861,1154 3.908,1155 3.781,1156 3.684,1157 7.429,1158 3.473,1159 3.771,1160 3.819,1161 3.681,1162 3.602,1163 7.426,1164 3.293,1165 3.692,1166 3.746,1167 3.589,1168 3.549,1169 7.423,1170 3.068,1171 3.655,1172 3.699,1173 3.538,1174 3.514,1175 7.421,1176 2.932,1177 3.584,1178 3.621,1179 3.482,1180 3.484,1181 6.352,1182 2.771,1183 0.076,1184 0.062,1185 0.127,1186 0.075,1187 0.06,1188 4.847,1189 0.06,1190 3.977,1191 0.037,1192 8.155,1193 0.246,1194 4.827,1195 0.059,1196 3.847,1197 3.848,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.923,1208 1.894,1209 2.053,1210 2.02,1211 1.278,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.004,1217 1.251,1218 1.892,1219 1.755,1220 1.709,1221 1.959,1222 1.96,1223 1.238,1224 1.772,1225 1.698,1226 1.647,1227 1.913,1228 1.892,1229 1.209,1230 1.588,1231 1.643,1232 1.597,1233 1.863,1234 1.831,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.823,1241 1.05,1242 1.389,1243 1.526,1244 1.467,1245 1.742,1246 1.729,1247 0.987,1248 1.224,1249 4.86,1251 6.248,1252 3.045,1253 7.821,1254 5.416,1255 9.493,1256 7.564,1257 11.228,1259 13.541,1263 5.659,1264 18.279,1265 2.059,1266 10.885,1267 13.437,1269 -0.7,1270 -6.826,1271 1.495,1272 -0.354,1273 33.733,1274 197.32,1275 430.121,1276 616.623,1277 723.135,1278 746.645,1279 756.645,1280 301.968,1281 9.064,1282 255.79,1283 255.79,1284 26,1285 13.557,1286 3.807,1287 3.459,1288 120.847,1289 410,1290 418,1291 0.139,1292 441.595,1293 834.63,1294 1069.25,1295 133658,1297 44.266,1298 0.738,1299 0.596,1300 44.266,1301 35.772,1302 28.131,1303 0.44,1304 0.332,1305 20.958,1306 26.971,1307 20.266,1308 16.756,1309 28.131,1310 21.218,1311 27.568,1312 0.29,1313 0.195,1314 27.568,1315 18.49,1316 21.606,1317 0.174,1318 0.107,1319 21.606,1320 13.251,1321 17.389,1322 0.109,1323 0.059,1324 17.389,1325 9.439,1326 13.397,1327 0.068,1328 0.033,1329 13.397,1330 6.409,1331 0.222,1332 177.443,1333 0.159,1334 49.343,1335 0.37,1336 318,1337 962.575,1338 357.816,1339 898.268,1340 1168.41,1341 828,1342 378,1343 805.218,1344 415.608,1345 803.816,1346 1182.74,1347 755,1348 7.155}
{0 CHEMBL108657,1 1.545,2 21.448,3 5.634,4 31.739,5 243.045,6 6.585,7 0.083,8 5.015,9 5.145,10 4.447,11 4.501,12 6.032,13 3.604,14 5.637,15 5.825,16 4.867,17 4.96,18 6.652,19 3.979,20 6.019,21 6.242,22 4.99,23 5.185,24 7.004,25 4.108,26 6.166,27 6.413,28 5.026,29 5.221,30 7.184,31 4.095,32 6.141,33 6.374,34 5.065,35 5.197,36 7.366,37 4.083,38 6.132,39 6.365,40 5.074,41 5.26,42 7.199,43 4.051,44 6.222,45 6.461,46 5.135,47 5.309,48 7.268,49 3.991,50 6.308,51 6.553,52 5.182,53 5.346,54 7.471,55 3.844,56 0.208,57 2.057,58 33.839,59 14.322,60 31.416,61 5.941,62 0.842,63 3.455,64 64.835,65 24.888,66 135.656,67 10.295,68 1.483,69 4.553,70 97.571,71 34.239,72 215.717,73 12.922,74 1.751,75 4.949,76 114.645,77 36.207,78 265.787,79 13.497,80 2.862,81 4.762,82 113.567,83 34.268,84 467.39,85 12.767,86 2.09,87 5.032,88 110.381,89 37.544,90 320.063,91 12.644,92 1.661,93 5.215,94 120.26,95 38.536,96 288.927,97 12.582,98 2.869,99 5.361,100 133.238,101 40.321,102 494.26,103 12.223,104 1,105 324,106 106,107 0.212,108 0.459,109 0.684,110 0.824,111 0.853,112 0.863,113 4.221,114 1.031,115 -0.15,116 -0.29,117 -0.47,120 34.5,121 7,122 14,123 5,124 1,126 1,128 6,129 1,130 1,140 4,141 2,153 7,158 1,159 1,160 1,162 2,164 2,165 28,166 2,167 2,168 7,171 6,173 7,176 31,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 26,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 16,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 19,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 27,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 21,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 9,251 1,252 1,253 25,254 2,255 1,256 1,257 1,258 19,259 2,260 1,261 8,262 3,263 11,264 2,265 1,266 37,267 1,268 2,270 14245,271 43.235,272 43.235,273 43.235,274 43.235,275 43.235,276 41.495,277 46.94,278 24.77,279 43.694,280 35.408,281 35.408,282 35.408,283 35.408,284 35.408,285 32.431,286 49.327,287 11.683,288 36.149,289 5.605,290 3.799,291 2.159,292 1.138,293 0.925,294 0.854,295 4.909,303 3048,304 7.842,305 164.698,306 430.44,307 1029.18,310 695.232,313 3.144,314 120.906,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 147.5,326 1437,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.692,342 2.341,343 12.336,344 3.085,345 4.192,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.14,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 4.122,364 3.668,365 6.223,366 3.871,367 2.872,368 3.196,369 1.956,370 9.154,371 2.87,372 3.994,373 3.612,374 6.143,375 3.827,376 2.841,377 3.146,378 1.928,379 9.054,380 2.796,381 3.883,382 3.585,383 6.099,384 3.733,385 2.759,386 3.018,387 1.905,388 8.795,389 2.698,390 3.766,391 3.527,392 6.063,393 3.586,394 2.63,395 2.944,396 0.632,397 8.592,398 2.568,399 3.701,400 3.315,401 5.799,402 3.551,403 2.562,404 2.906,405 0.382,406 7.733,407 2.476,408 3.583,409 3.086,410 5.64,411 3.389,412 2.404,413 2.69,414 0.265,415 6.914,416 2.31,417 3.527,418 2.791,419 5.325,420 3.186,421 2.179,422 2.614,423 0.159,424 6.567,425 2.166,426 3.452,427 2.653,428 5.301,429 3.072,430 2.068,431 2.601,432 0.107,433 6.093,434 2.055,435 3.246,436 2.572,437 4.69,438 3.05,439 2.056,440 2.273,441 0.014,442 5.159,443 2.019,444 3.004,445 2.441,446 4.66,447 2.925,448 1.958,449 2.027,451 5.09,452 1.888,453 2.983,454 2.316,455 4.652,456 2.818,457 1.82,458 2.005,460 4.607,461 1.816,462 31.233,463 0.466,464 2.333,465 0.035,466 59,467 0.881,468 16.5,469 0.246,470 42.5,471 0.634,472 117.862,473 1.759,474 79.767,475 0.562,476 66.213,477 0.988,478 9.572,479 0.143,480 22.025,481 0.329,482 0.221,483 0.032,484 0.37,490 0.838,491 1.434,492 0.927,493 1.294,494 0.645,495 0.915,496 0.543,497 1.294,498 0.866,499 1.202,500 0.435,501 0.981,502 0.935,503 1.14,504 1.051,505 1.157,506 0.849,507 1.068,508 1.209,509 1.142,510 1.024,511 1.085,512 1.03,513 0.956,514 1.145,515 1.016,516 1.043,517 0.957,518 1.083,519 0.959,520 0.997,521 1.141,522 1.019,523 1.139,524 0.977,525 0.92,526 1.062,527 1.138,528 1.009,529 1.101,530 0.953,531 1.017,532 1.061,533 0.918,534 1.006,535 0.893,536 1.07,537 0.966,538 18,539 1.013,540 10.222,541 6.285,542 4.917,543 2.994,544 2.318,545 1.87,546 1.615,547 1.188,548 104888,549 251168,550 1.968,551 52.8,552 34,553 12,554 1,556 8,557 4,558 14,559 2,560 1.92,561 1.779,562 4.298,563 3.965,569 219.418,570 1.545,571 3.351,572 4.991,573 6.012,574 6.225,575 6.296,576 3.806,577 5.618,578 6.036,579 4.546,580 10050.2,581 10.86,582 258893,587 1015.26,588 1.713,589 5.952,590 0.25,591 0.008,592 0.098,593 0.057,594 0.044,595 0.026,596 0.019,597 0.015,598 0.012,599 0.009,600 0.538,601 0.17,602 0.38,603 2.043,604 438.62,605 -0.123,606 -0.05,607 0.023,608 0.001,609 -0.048,610 0.03,611 0.189,612 -0.071,613 0.086,614 -0.031,615 0.141,616 -0.031,617 0.02,619 -0.063,620 -0.062,621 -0.036,622 -0.109,623 -0.102,624 -0.033,625 -0.011,626 -0.02,627 -0.057,628 0.007,629 0.098,630 0.052,631 -0.003,632 0.059,633 0.126,634 -0.019,635 0.051,636 0.031,637 -0.018,638 -0.017,639 0.008,640 0.036,641 -0.055,642 -0.07,643 -0.01,644 -0.071,645 -0.002,646 -0.047,647 0.058,648 0.043,649 0.014,650 0.05,651 0.085,652 0.015,653 3.008,654 7.537,655 0.403,656 123.225,657 1,658 1.136,659 -1.081,660 1.169,661 0.62,662 4.29,663 4.673,664 4.942,665 5.182,666 5.394,667 5.509,668 5.642,669 5.781,670 5.875,671 5.989,672 12.425,673 0.651,674 935.11,675 4.29,676 5.878,677 6.742,678 7.648,679 8.539,680 9.453,681 10.359,682 11.281,683 12.198,684 13.129,685 4.2,686 1,692 5,699 4,704 2,706 6,720 142,721 1,723 13,724 1,725 72,727 147,728 49,729 6,730 2,731 4,735 6,736 9,741 7,742 1,744 1,745 11,746 4,748 20,749 13,750 36,751 6,754 7,759 7,763 7,768 75,769 17,770 8,771 18,775 6,780 0.667,781 11,786 1,787 1,788 2,789 4,792 2,800 4,801 1,802 2,807 1,811 2,813 4,817 7,821 67,822 1,827 2,828 15,829 4,830 2,832 1,833 12,834 1,835 2,840 7.7,842 2,843 7,844 2,847 37.667,848 26.35,849 14.431,850 9.358,851 0.814,852 1.086,853 0.959,854 17.857,855 10.224,856 4.419,857 4.871,858 5.194,859 5.515,860 5.847,861 5.911,862 6.094,863 6.277,864 6.417,865 6.618,866 1,867 111,868 25.644,870 11.687,871 7.938,872 48.312,874 42.082,877 2.438,878 163.333,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.598,928 0.344,929 0.175,930 0.094,931 47,932 27,933 0.143,934 21,935 3,936 1.185,937 6.504,938 813.902,939 0.222,940 26,941 392.428,945 52.984,946 22.581,947 12.513,949 150.083,950 8.887,955 2.54,957 60.694,958 547.756,959 82,964 91.847,968 -5.909,969 142.024,970 161.355,971 0.216,972 0.469,973 0.698,974 0.841,975 0.871,976 0.881,977 5.748,978 2.63,979 6.79,980 8.795,981 5.361,982 5.561,983 3.946,984 7.689,985 5.319,986 6.932,987 2.562,988 8.42,989 8.592,990 5.231,991 5.497,992 3.633,993 8.967,994 5.167,995 8.25,996 2.404,997 10.165,998 7.733,999 7.088,1000 7.466,1001 5.157,1002 12.097,1003 6.996,1004 9.596,1005 2.179,1006 11.983,1007 6.914,1008 7.763,1009 8.151,1010 5.443,1011 14.273,1012 7.648,1013 10.978,1014 2.068,1015 13.851,1016 6.567,1017 9.18,1018 9.685,1019 6.551,1020 17.061,1021 9.04,1022 12.383,1023 2.056,1024 15.758,1025 6.093,1026 10.199,1027 10.673,1028 7.097,1029 19.588,1030 10.038,1031 13.809,1032 1.958,1033 17.696,1034 5.159,1035 11.494,1036 12.068,1037 8.039,1038 22.316,1039 11.31,1040 3.847,1041 1.82,1042 19.66,1043 5.09,1044 12.668,1045 13.193,1046 8.718,1047 24.979,1048 12.463,1049 3.203,1050 15.757,1051 21.645,1052 4.607,1053 13.943,1054 14.539,1055 9.589,1056 27.708,1057 13.719,1058 3.173,1059 12.336,1060 23.648,1061 3.847,1062 15.19,1063 15.736,1064 10.339,1065 30.423,1066 14.948,1067 2.989,1068 11.03,1069 25.666,1070 3.692,1071 16.477,1072 17.066,1073 11.182,1074 33.162,1075 16.217,1076 2.872,1077 9.697,1078 27.696,1079 3.454,1080 17.763,1081 18.305,1082 11.971,1083 35.898,1084 17.486,1085 2.841,1086 9.154,1087 29.737,1088 3.282,1089 19.067,1090 19.629,1091 12.805,1092 38.644,1093 18.772,1094 2.759,1095 9.054,1096 31.787,1097 3.196,1098 20.375,1099 20.897,1100 13.616,1101 41.391,1102 20.063,1103 100613,1104 156329,1105 45.369,1106 88.024,1107 111.836,1108 116.251,1109 115.777,1110 110.494,1111 110.362,1112 122.089,1113 32.089,1114 334.471,1115 108.245,1116 5.847,1117 5.976,1118 7.957,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 50.506,1126 1.553,1127 1.615,1128 1.608,1129 1.535,1130 1.533,1131 1.696,1132 0.446,1133 4.645,1134 1.503,1135 4.11,1136 4.144,1137 4.026,1138 4.027,1139 7.479,1140 3.921,1141 4.003,1142 4.041,1143 3.921,1144 3.935,1145 7.472,1146 3.837,1147 3.938,1148 3.982,1149 3.861,1150 3.779,1151 7.439,1152 3.649,1153 3.862,1154 3.909,1155 3.783,1156 3.699,1157 7.429,1158 3.473,1159 3.783,1160 3.834,1161 3.686,1162 3.673,1163 7.426,1164 3.293,1165 3.767,1166 3.817,1167 3.643,1168 3.604,1169 7.423,1170 3.068,1171 3.693,1172 3.746,1173 3.588,1174 3.561,1175 7.421,1176 2.932,1177 3.656,1178 3.699,1179 3.543,1180 3.531,1181 6.352,1182 2.771,1183 0.067,1184 0.055,1185 0.113,1186 0.067,1187 0.053,1188 4.847,1189 0.053,1190 3.976,1191 0.033,1192 8.155,1193 0.219,1194 4.827,1195 0.052,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.992,1208 1.961,1209 2.145,1210 2.081,1211 1.507,1212 2.005,1213 1.817,1214 1.77,1215 2.005,1216 2.018,1217 1.299,1218 1.892,1219 1.803,1220 1.753,1221 2.002,1222 1.963,1223 1.277,1224 1.772,1225 1.755,1226 1.708,1227 1.959,1228 1.933,1229 1.239,1230 1.588,1231 1.699,1232 1.648,1233 1.913,1234 1.891,1235 1.216,1236 1.503,1237 1.659,1238 1.613,1239 1.866,1240 1.835,1241 1.205,1242 1.389,1243 1.613,1244 1.572,1245 1.814,1246 1.825,1247 1.052,1248 1.224,1249 4.977,1251 6.358,1252 3.045,1253 7.926,1254 5.416,1255 9.589,1256 7.564,1257 11.316,1259 13.665,1263 5.687,1264 18.372,1265 9.19,1266 11.037,1267 13.666,1269 -0.675,1270 -6.15,1271 1.525,1272 -0.348,1273 33.733,1274 219.418,1275 475.855,1276 708.679,1277 853.715,1278 883.98,1279 893.98,1280 314.879,1281 9.41,1282 255.79,1283 255.79,1284 32,1285 13.634,1286 3.807,1287 3.459,1288 127.317,1289 499,1290 533,1291 0.119,1292 501.348,1293 943.37,1294 1215.05,1295 199297,1297 48.957,1298 0.731,1299 0.605,1300 48.957,1301 40.515,1302 31.597,1303 0.439,1304 0.344,1305 24.474,1306 30.437,1307 23.717,1308 19.603,1309 31.597,1310 24.734,1311 30.585,1312 0.289,1313 0.202,1314 30.585,1315 21.416,1316 24.399,1317 0.176,1318 0.113,1319 24.399,1320 15.752,1321 19.607,1322 0.111,1323 0.064,1324 19.607,1325 11.346,1326 15.257,1327 0.07,1328 0.036,1329 15.257,1330 7.927,1331 0.19,1332 198.241,1333 0.148,1334 53.912,1335 0.315,1336 356,1337 1002.58,1338 395.816,1339 939.454,1340 1230.86,1341 868,1342 423,1343 855.218,1344 460.608,1345 855.277,1346 1260.2,1347 805,1348 4.222}
{0 CHEMBL109434,1 1.594,2 18.984,3 3.443,4 11.851,5 216.854,6 6.769,7 0.092,8 4.9,9 5.027,10 4.351,11 4.373,12 5.962,13 3.604,14 5.507,15 5.691,16 4.772,17 4.819,18 6.577,19 3.979,20 5.881,21 6.093,22 4.894,23 5.039,24 6.922,25 4.108,26 6.041,27 6.281,28 4.939,29 5.08,30 7.106,31 4.095,32 6.024,33 6.248,34 4.991,35 5.068,36 7.307,37 4.083,38 6.036,39 6.262,40 5.015,41 5.161,42 7.143,43 4.051,44 6.149,45 6.384,46 5.089,47 5.229,48 7.228,49 3.991,50 6.241,51 6.482,52 5.132,53 5.267,54 7.441,55 3.844,56 0.258,57 1.834,58 29.334,59 12.381,60 36.751,61 5.941,62 0.9,63 3.038,64 56.282,65 21.234,66 141.15,67 10.295,68 1.567,69 3.972,70 84.903,71 29.086,72 224.676,73 12.922,74 1.92,75 4.347,76 102.025,77 30.931,78 282.972,79 13.497,80 2.96,81 4.221,82 101.718,83 29.486,84 474.248,85 12.767,86 2.218,87 4.58,88 100.499,89 33.574,90 337.03,91 12.644,92 1.86,93 4.826,94 111.99,95 35.199,96 312.191,97 12.582,98 3.06,99 4.947,100 125.35,101 36.924,102 515.883,103 12.223,104 1,105 324,106 96,107 0.224,108 0.487,109 0.704,110 0.831,111 0.857,112 0.868,113 4.129,114 1.002,115 0.82,116 0.63,117 0.35,120 34.1,121 7,122 9,123 4,124 1,126 1,128 6,129 1,130 1,140 5,141 1,153 7,158 1,159 1,160 1,162 2,164 2,165 21,166 2,167 2,168 7,171 6,173 7,176 21,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 15,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 6,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 10,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 20,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 16,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 17,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 36,267 1,268 2,270 10643,271 39.011,272 39.011,273 39.011,274 39.011,275 39.011,276 37.22,277 42.089,278 22.332,279 39.471,280 31.954,281 31.954,282 31.954,283 31.954,284 31.954,285 28.991,286 46.386,287 10.533,288 32.695,289 5.384,290 3.507,291 1.961,292 1.054,293 0.867,294 0.788,295 4.81,303 2445,304 7.778,305 147.599,306 387.673,307 671.597,310 623.135,313 3.068,314 117.001,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 135.5,326 1158,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.456,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.444,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.842,368 3.195,369 1.956,370 9.153,371 2.796,372 3.914,373 3.612,374 6.099,375 3.735,376 2.762,377 3.146,378 1.928,379 8.795,380 2.699,381 3.869,382 3.585,383 6.063,384 3.598,385 2.638,386 3.016,387 1.905,388 8.593,389 2.569,390 3.763,391 3.527,392 5.799,393 3.563,394 2.564,395 2.909,396 0.632,397 7.733,398 2.54,399 3.606,400 3.315,401 5.64,402 3.448,403 2.477,404 2.69,405 0.382,406 6.958,407 2.329,408 3.527,409 2.809,410 5.337,411 3.186,412 2.179,413 2.622,414 0.265,415 6.568,416 2.166,417 3.452,418 2.674,419 5.301,420 3.072,421 2.068,422 2.604,423 0.159,424 6.093,425 2.055,426 3.246,427 2.594,428 4.69,429 3.05,430 2.056,431 2.275,432 0.107,433 5.159,434 2.019,435 3.004,436 2.441,437 4.66,438 2.925,439 1.957,440 2.094,441 0.014,442 5.09,443 1.885,444 2.976,445 2.316,446 4.652,447 2.812,448 1.8,449 2.005,451 4.604,452 1.812,453 2.918,454 2.225,455 4.633,456 2.591,457 1.588,458 1.964,460 4.403,461 1.586,462 28.233,463 0.463,464 2.213,465 0.036,466 55.5,467 0.91,468 16.5,469 0.27,470 39,471 0.639,472 101.365,473 1.662,474 72.567,475 0.576,476 62.912,477 1.031,478 9.616,479 0.158,480 19.015,481 0.312,482 0.244,483 0.035,484 0.374,490 0.849,491 1.455,492 0.902,493 1.299,494 0.655,495 0.915,496 0.554,497 1.305,498 0.833,499 1.196,500 0.448,501 0.981,502 0.976,503 1.158,504 1.068,505 1.175,506 0.887,507 1.068,508 1.247,509 1.155,510 1.032,511 1.088,512 1.057,513 0.956,514 1.174,515 1.019,516 1.058,517 0.951,518 1.103,519 0.959,520 0.996,521 1.139,522 1.014,523 1.138,524 0.972,525 0.92,526 1.037,527 1.132,528 1,529 1.098,530 0.927,531 1.017,532 1.03,533 0.905,534 1.003,535 0.888,536 1.038,537 0.966,538 17,539 0.923,540 9.333,541 6.035,542 4.775,543 2.744,544 2.16,545 1.83,546 1.541,547 1.124,548 78483,549 206307,550 1.939,551 51.6,552 23,553 13,554 1,556 8,557 4,558 14,559 2,560 1.9,561 1.743,562 4.141,563 4.097,569 200.79,570 1.594,571 3.47,572 5.016,573 5.923,574 6.11,575 6.189,576 3.585,577 5.668,578 5.903,579 4.413,580 8075.68,581 10.588,582 192949,587 879.137,588 1.735,589 5.808,590 0.262,591 0.008,592 0.099,593 0.06,594 0.046,595 0.026,596 0.019,597 0.015,598 0.012,599 0.009,600 0.557,601 0.17,602 0.38,603 2.164,604 388.792,605 -0.135,606 -0.07,607 0.016,608 -0.011,609 -0.058,610 0.03,611 0.189,612 -0.078,613 0.102,614 -0.029,615 0.139,616 -0.031,617 0.002,618 -0.004,619 -0.085,620 -0.075,621 -0.055,622 -0.109,623 -0.126,624 -0.037,625 -0.017,626 -0.019,627 -0.072,628 0.007,629 0.076,630 0.055,631 -0.017,632 0.065,633 0.112,634 -0.019,635 0.037,636 0.042,637 -0.021,638 -0.009,639 -0.001,640 0.036,641 -0.065,642 -0.069,643 -0.012,644 -0.071,645 -0.01,646 -0.047,647 0.044,648 0.043,649 0.008,650 0.046,651 0.07,652 0.015,653 3.01,654 7.376,655 0.344,656 100.432,657 1.005,658 1.137,659 -2.05,660 4.202,661 0.621,662 4.19,663 4.575,664 4.836,665 5.075,666 5.278,667 5.398,668 5.529,669 5.677,670 5.762,671 5.861,672 11.476,673 0.651,674 852.95,675 4.19,676 5.778,677 6.64,678 7.549,679 8.441,680 9.359,681 10.267,682 11.194,683 12.115,684 13.05,685 4.8,686 1,692 5,699 5,704 1,706 6,720 126,721 1,723 13,724 1,725 65,727 130,728 43,729 6,730 1,731 5,735 5,736 8,741 7,742 1,744 1,745 6,746 3,748 15,749 13,750 30,751 5,754 7,759 7,763 7,768 65,769 17,770 8,771 18,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 7,821 61,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 2,840 8.7,842 2,843 7,844 2,847 35,848 23.6,849 13.153,850 7.997,851 0.541,852 1.06,853 0.959,854 16.287,855 9.624,856 4.331,857 4.783,858 5.086,859 5.387,860 5.68,861 5.646,862 5.8,863 6.004,864 6.131,865 6.321,866 1,867 100,868 23.338,870 10.646,871 8.038,872 43.296,874 37.235,877 2.538,878 154.833,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.599,928 0.342,929 0.173,930 0.092,931 42,932 25,933 0.154,934 20,935 3,936 1.238,937 6.035,938 714.035,939 0.286,940 20,941 351.775,945 48.652,946 20.421,947 11.421,949 150.083,950 9.981,955 1.108,957 60.694,958 547.756,959 75,964 91.161,968 -5.948,969 126.606,970 143.279,971 0.228,972 0.497,973 0.719,974 0.849,975 0.876,976 0.887,977 5.658,978 2.564,979 6.696,980 8.593,981 5.263,982 5.472,983 3.946,984 7.603,985 5.216,986 6.848,987 2.477,988 8.333,989 7.733,990 5.165,991 5.414,992 3.633,993 8.911,994 5.097,995 8.169,996 2.179,997 10.086,998 6.958,999 7,1000 7.372,1001 5.157,1002 12.045,1003 6.9,1004 9.518,1005 2.068,1006 11.912,1007 6.568,1008 7.701,1009 8.047,1010 5.443,1011 14.241,1012 7.579,1013 10.902,1014 2.056,1015 13.788,1016 6.093,1017 9.111,1018 9.577,1019 6.551,1020 17.036,1021 8.96,1022 12.309,1023 1.957,1024 15.704,1025 5.159,1026 10.149,1027 10.547,1028 7.097,1029 19.574,1030 9.978,1031 13.737,1032 1.8,1033 17.65,1034 5.09,1035 11.444,1036 11.94,1037 8.039,1038 22.307,1039 11.25,1040 3.847,1041 1.588,1042 19.621,1043 4.604,1044 12.631,1045 13.045,1046 8.718,1047 24.973,1048 12.418,1049 3.203,1050 15.757,1051 21.613,1052 4.403,1053 13.91,1054 14.39,1055 9.589,1056 27.705,1057 13.678,1058 3.173,1059 12.336,1060 23.622,1061 3.847,1062 15.165,1063 15.567,1064 10.339,1065 30.421,1066 14.916,1067 2.989,1068 11.03,1069 25.644,1070 3.456,1071 16.456,1072 16.895,1073 11.182,1074 33.16,1075 16.19,1076 2.842,1077 9.697,1078 27.679,1079 3.444,1080 17.747,1081 18.118,1082 11.971,1083 35.897,1084 17.464,1085 2.762,1086 9.153,1087 29.724,1088 3.282,1089 19.054,1090 19.439,1091 12.805,1092 38.644,1093 18.755,1094 2.638,1095 8.795,1096 31.776,1097 3.195,1098 20.365,1099 20.693,1100 13.616,1101 41.39,1102 20.05,1103 76171,1104 123842,1105 40.4,1106 78.217,1107 101.277,1108 105.517,1109 104.95,1110 99.823,1111 99.692,1112 111.238,1113 32.089,1114 303.41,1115 97.576,1116 5.847,1117 5.976,1118 7.957,1119 5.959,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 47.462,1126 1.558,1127 1.623,1128 1.615,1129 1.536,1130 1.534,1131 1.711,1132 0.494,1133 4.668,1134 1.501,1135 4.102,1136 4.134,1137 4.019,1138 4.018,1139 7.478,1140 3.921,1141 3.968,1142 4.013,1143 3.888,1144 3.872,1145 7.472,1146 3.837,1147 3.904,1148 3.94,1149 3.826,1150 3.775,1151 7.439,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.685,1157 7.429,1158 3.473,1159 3.772,1160 3.821,1161 3.683,1162 3.607,1163 7.426,1164 3.293,1165 3.695,1166 3.748,1167 3.594,1168 3.571,1169 7.423,1170 3.068,1171 3.657,1172 3.699,1173 3.549,1174 3.533,1175 7.421,1176 2.932,1177 3.621,1178 3.668,1179 3.5,1180 3.484,1181 6.352,1182 2.771,1183 0.075,1184 0.061,1185 0.125,1186 0.074,1187 0.059,1188 4.847,1189 0.059,1190 3.976,1191 0.036,1192 8.155,1193 0.242,1194 4.827,1195 0.058,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.926,1208 1.896,1209 2.064,1210 2.02,1211 1.302,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.01,1217 1.277,1218 1.892,1219 1.756,1220 1.709,1221 1.96,1222 1.961,1223 1.239,1224 1.772,1225 1.699,1226 1.65,1227 1.913,1228 1.894,1229 1.216,1230 1.588,1231 1.666,1232 1.621,1233 1.87,1234 1.844,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.826,1241 1.05,1242 1.389,1243 1.56,1244 1.504,1245 1.804,1246 1.732,1247 1.02,1248 1.224,1249 4.875,1251 6.26,1252 3.045,1253 7.829,1254 5.416,1255 9.497,1256 7.564,1257 11.23,1259 13.572,1263 5.663,1264 18.292,1265 2.86,1266 10.919,1267 13.469,1269 -0.673,1270 -6.735,1271 1.504,1272 -0.339,1273 33.733,1274 200.79,1275 437.198,1276 632.031,1277 746.343,1278 769.853,1279 779.853,1280 309.519,1281 9.083,1282 255.79,1283 255.79,1284 26,1285 13.552,1286 3.807,1287 3.459,1288 124.063,1289 423,1290 431,1291 0.138,1292 451.188,1293 851.93,1294 1092.66,1295 136966,1297 44.974,1298 0.737,1299 0.598,1300 44.974,1301 36.479,1302 28.631,1303 0.44,1304 0.334,1305 21.458,1306 27.471,1307 20.758,1308 17.166,1309 28.631,1310 21.718,1311 27.91,1312 0.291,1313 0.196,1314 27.91,1315 18.825,1316 21.916,1317 0.175,1318 0.108,1319 21.916,1320 13.539,1321 17.529,1322 0.11,1323 0.06,1324 17.529,1325 9.599,1326 13.454,1327 0.069,1328 0.033,1329 13.454,1330 6.532,1331 0.221,1332 180.443,1333 0.157,1334 50.024,1335 0.368,1336 322,1337 966.575,1338 361.816,1339 902.344,1340 1174.13,1341 832,1342 382,1343 809.218,1344 419.608,1345 807.759,1346 1187.98,1347 759,1348 7.125}
{0 CHEMBL109852,1 1.712,2 13.65,3 4.697,4 22.058,5 144.45,6 7.966,7 0.286,8 4.331,9 4.441,10 3.921,11 3.833,12 5.531,13 3.835,14 4.886,15 5.043,16 4.334,17 4.196,18 6.415,19 4.18,20 5.145,21 5.334,22 4.386,23 4.348,24 6.524,25 4.304,26 5.273,27 5.494,28 4.371,29 4.34,30 6.504,31 4.302,32 5.279,33 5.48,34 4.478,35 4.291,36 6.786,37 4.297,38 5.248,39 5.449,40 4.377,41 4.247,42 6.777,43 4.257,44 5.147,45 5.353,46 4.33,47 4.295,48 6.41,49 4.277,50 5.159,51 5.327,52 4.475,53 4.379,54 6.595,55 4.363,56 0.196,57 1.171,58 12.457,59 6.654,60 35.05,61 7.763,62 1.186,63 2.169,64 26.597,65 10.856,66 174.487,67 13.407,68 1.217,69 2.063,70 36.415,71 13.71,72 200.515,73 17.76,74 1.308,75 2.252,76 45.309,77 14.431,78 182.022,79 18.953,80 1.708,81 2.363,82 46.392,83 14.563,84 278.349,85 17.677,86 2.122,87 2.373,88 46.716,89 13.152,90 368.428,91 14.456,92 1.33,93 2.058,94 39.454,95 12.173,96 169.168,97 15.315,98 1.088,99 2.137,100 36.125,101 14.201,102 174.691,103 17.498,105 91,106 58,107 0.268,108 0.595,109 0.751,110 0.807,111 0.838,112 0.851,113 3.717,114 0.9,115 -3.96,116 -3.91,117 -3.71,120 41.4,121 2,122 2,123 1,126 2,128 1,132 1,135 2,138 2,140 10,141 2,151 1,153 2,154 1,165 17,167 2,168 3,171 3,173 2,176 17,181 1,182 6,185 4,187 3,190 12,195 11,200 1,203 5,206 6,207 13,210 1,212 5,215 4,219 1,220 9,223 1,224 1,225 5,227 5,231 10,236 3,239 8,244 3,245 14,248 2,250 5,253 11,258 11,261 1,263 6,266 9,270 4098,271 25.938,272 25.938,273 25.938,274 25.938,275 25.938,276 23.475,277 26.875,278 15.388,279 26.425,280 20.69,281 20.69,282 20.69,283 20.69,284 20.69,285 16.863,286 28.416,287 7.328,288 21.504,289 4.417,290 2.328,291 1.328,292 0.968,293 0.775,294 0.689,295 4.393,302 1,303 1124,304 5.568,307 485.017,313 2.235,314 78.427,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.74,325 91,326 546,327 4.464,328 4.61,329 7.213,330 4.266,331 3.368,332 3.743,333 3.975,334 11.99,335 3.081,336 4.386,337 3.823,338 6.638,339 4.084,340 3.12,341 3.605,342 2.204,343 10.566,344 3.001,345 3.918,346 3.648,347 6.004,348 3.585,349 2.656,350 3.448,351 1.967,352 8.361,353 2.536,354 3.899,355 3.552,356 5.722,357 3.551,358 2.581,359 3.444,360 1.793,361 7.716,362 2.5,363 3.795,364 3.272,365 5.36,366 3.52,367 2.526,368 2.995,369 1.226,370 7.011,371 2.425,372 3.698,373 2.867,374 5.337,375 3.388,376 2.418,377 2.839,378 0.814,379 6.943,380 2.306,381 3.479,382 2.76,383 5.016,384 3.151,385 2.144,386 2.653,387 0.529,388 5.882,389 2.132,390 3.419,391 2.634,392 4.956,393 3.053,394 2.068,395 2.475,396 0.255,397 5.743,398 2.01,399 3.07,400 2.375,401 4.555,402 2.619,403 1.64,404 2.116,405 0.141,406 4.462,407 1.594,408 2.919,409 2.131,410 4.299,411 2.49,412 1.489,413 2.083,414 0.03,415 3.449,416 1.49,417 2.91,418 1.744,419 3.663,420 2.472,421 1.477,422 2.055,424 3.152,425 1.466,426 2.647,427 1.671,428 3.63,429 2.351,430 1.365,431 1.572,433 3.125,434 1.3,435 2.5,436 1.498,437 3.494,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1.261,446 3.247,447 2,448 1,449 1.5,451 2.136,452 1,453 2.016,454 1.258,455 3.247,456 1.795,457 0.799,458 0.896,460 1.915,461 0.792,462 18.224,463 0.456,464 1.221,465 0.031,466 46,467 1.15,468 21,469 0.525,470 25,471 0.625,472 40.69,473 1.017,474 45.376,475 0.648,476 47.317,477 1.183,478 9.643,479 0.241,480 9.309,481 0.233,482 0.175,483 0.027,484 0.296,487 3,490 0.606,491 1.1,492 0.703,493 1.151,494 0.567,495 1.005,496 0.455,497 0.886,498 0.757,499 1.069,500 0.434,501 1.037,502 0.565,503 0.87,504 0.879,505 1.104,506 0.577,507 1.107,508 0.908,509 0.819,510 0.952,511 0.986,512 0.898,513 0.978,514 1.119,515 1.093,516 0.935,517 0.988,518 1.128,519 0.922,520 1.622,521 1.065,522 1.324,523 0.811,524 1.65,525 0.908,526 1.077,527 0.646,528 1.032,529 0.741,530 1.07,531 0.82,532 0.738,533 0.963,534 0.833,535 1.126,536 0.772,537 1.049,538 9.5,539 0.466,540 4.667,541 2.625,542 2.787,543 1.285,544 0.814,545 1.002,546 0.736,547 0.532,548 24508,549 83336,550 1.946,551 42.9,552 8,553 17,556 2,558 3,560 1.807,561 1.784,562 3.685,563 0.174,569 119.842,570 1.712,571 3.801,572 4.801,573 5.161,574 5.354,575 5.44,576 3.066,577 4.734,578 5.288,579 3.945,580 3077.15,581 9.378,582 55037.5,587 429.05,588 1.64,589 5.222,590 0.226,591 0.009,592 0.08,593 0.044,594 0.048,595 0.02,596 0.014,597 0.017,598 0.011,599 0.009,600 0.479,601 0.33,602 0.75,603 1.499,604 226.322,605 -0.037,606 -0.085,607 0.019,608 -0.042,609 -0.061,610 -0.001,611 0.358,612 0.167,613 0.102,614 -0.027,615 0.291,616 -0.056,617 0.165,618 -0.031,619 0.009,620 -0.115,621 0.138,622 -0.116,623 -0.046,624 0.008,625 0.017,626 -0.045,627 -0.059,628 -0.002,629 0.015,630 -0.148,631 0.09,632 -0.039,633 0.04,634 0.027,635 -0.204,636 0.146,637 -0.245,638 0.124,639 -0.174,640 -0.02,641 -0.146,642 0.252,643 -0.076,644 0.193,645 -0.147,646 0.121,647 0.075,648 -0.133,649 0.055,650 -0.115,651 0.081,652 -0.059,653 6.385,654 6.325,655 0.45,656 54.773,657 1.025,658 1.14,659 2.729,660 7.45,661 0.65,662 3.761,663 4.078,664 4.248,665 4.419,666 4.605,667 4.511,668 4.625,669 4.812,670 4.898,671 4.949,672 8.562,673 0.638,674 557.62,675 3.761,676 5.303,677 6.12,678 6.984,679 7.822,680 8.686,681 9.534,682 10.4,683 11.255,684 12.122,685 4.3,692 3,699 10,704 2,706 12,720 70,723 18,724 2,725 42,727 72,728 29,729 12,730 2,731 10,732 5,735 3,736 3,741 3,747 1,748 3,749 20,750 9,751 1,754 6,759 4,761 2,763 6,766 3,768 30,769 11,770 2,771 11,775 3,780 1,781 5,789 3,798 1,800 1,801 1,805 4,810 1,813 3,817 2,819 3,821 40,828 4,829 2,830 1,833 2,834 1,835 1,839 3,840 7.1,843 4,845 1,847 22.417,848 12.879,849 8.806,850 4.106,851 2.321,852 1.303,853 0.936,854 10.834,855 9.974,856 4.007,857 4.5,858 4.887,859 5.259,860 5.69,861 5.561,862 5.773,863 6.094,864 6.391,865 6.586,866 0.889,867 60,868 16.187,870 8.077,871 8.344,872 27.068,874 21.582,877 2.844,878 113.75,882 329.591,883 184.082,884 39.146,886 111.58,887 44.88,889 184.082,890 441.17,891 84.026,892 17.65,893 50.913,894 113.715,895 120.636,896 62.251,897 6.763,898 329.591,899 7.76,900 329.591,901 223.228,902 156.46,905 294.278,906 191.773,909 76.323,910 122.439,911 24.466,913 374.471,914 150.725,915 184.082,918 337.35,919 44.957,920 134.49,921 36.022,922 156.46,923 329.591,924 195.606,925 184.082,927 0.584,928 0.324,929 0.162,930 0.091,931 23,932 13,933 0.167,934 12,936 1,937 4.794,938 375.943,940 18,941 198.122,945 30.809,946 14.066,947 9.173,949 195.606,950 18.233,955 1.699,957 36.022,958 709.279,959 54,964 50.362,966 2.927,968 -4.45,969 71.734,970 79.789,971 0.279,972 0.62,973 0.783,974 0.842,975 0.874,976 0.888,977 5.257,978 2.068,979 6.133,980 5.882,981 4.762,982 5.187,983 3.883,984 6.938,985 4.689,986 6.454,987 1.64,988 7.704,989 5.743,990 4.511,991 4.956,992 4.182,993 8.023,994 4.328,995 7.754,996 1.489,997 9.386,998 4.462,999 6.392,1000 7.199,1001 5.829,1002 11.038,1003 6.215,1004 9.081,1005 1.477,1006 11.137,1007 3.449,1008 6.929,1009 7.675,1010 6.945,1011 12.942,1012 6.628,1013 10.439,1014 1.365,1015 12.934,1016 3.152,1017 8.342,1018 9.465,1019 8.355,1020 15.566,1021 8.028,1022 11.817,1023 1,1024 14.764,1025 3.125,1026 9.227,1027 10.265,1028 9.678,1029 17.794,1030 8.794,1031 13.211,1032 1,1033 16.618,1034 2.136,1035 10.476,1036 11.859,1037 11.059,1038 20.304,1039 10.005,1040 3.368,1041 0.799,1042 18.492,1043 2.136,1044 11.523,1045 12.834,1046 12.427,1047 22.667,1048 10.943,1049 3.12,1050 11.99,1051 20.382,1052 1.915,1053 12.718,1054 14.321,1055 13.806,1056 25.143,1057 12.081,1058 2.656,1059 10.566,1060 22.285,1061 3.743,1062 13.84,1063 15.403,1064 15.183,1065 27.564,1066 13.104,1067 2.581,1068 8.361,1069 24.198,1070 3.605,1071 15.023,1072 16.825,1073 16.562,1074 30.031,1075 14.215,1076 2.526,1077 7.716,1078 26.12,1079 3.448,1080 16.181,1081 17.975,1082 17.942,1083 32.478,1084 15.281,1085 2.418,1086 7.011,1087 28.05,1088 3.444,1089 17.365,1090 19.355,1091 19.322,1092 34.945,1093 16.385,1094 2.144,1095 6.943,1096 29.985,1097 2.995,1098 18.542,1099 20.552,1100 20.702,1101 37.405,1102 17.473,1103 24241,1104 45010,1105 26.641,1106 45.523,1107 63.845,1108 64.621,1109 64.038,1110 62.582,1111 62.27,1112 77.386,1113 25.865,1114 176.419,1115 60.097,1116 5.44,1117 6.61,1118 7.015,1119 5.343,1120 5.368,1121 6.743,1122 5.723,1123 19.63,1124 5.081,1125 25.937,1126 1.52,1127 1.539,1128 1.525,1129 1.49,1130 1.483,1131 1.843,1132 0.616,1133 4.2,1134 1.431,1135 3.992,1136 4.027,1137 3.931,1138 3.898,1139 8.516,1140 3.895,1141 3.902,1142 3.932,1143 3.828,1144 3.84,1145 7.999,1146 3.833,1147 3.867,1148 3.902,1149 3.804,1150 3.751,1151 7.999,1152 3.763,1153 3.819,1154 3.857,1155 3.77,1156 3.658,1157 7.44,1158 3.67,1159 3.522,1160 3.556,1161 3.479,1162 3.293,1163 7.43,1164 3.313,1165 3.471,1166 3.521,1167 3.411,1168 3.257,1169 7.423,1170 3.267,1171 3.443,1172 3.488,1173 3.316,1174 3.179,1175 7.416,1176 3.228,1177 3.315,1178 3.347,1179 3.205,1180 3.096,1181 4.784,1182 3.123,1183 0.106,1184 0.11,1185 0.172,1186 0.102,1187 0.08,1188 4.464,1189 0.089,1190 4.61,1191 0.095,1192 7.213,1193 0.285,1194 4.266,1195 0.073,1196 3.368,1197 3.743,1198 3.975,1199 11.99,1200 3.081,1201 1.938,1202 1.907,1203 2.071,1204 2.051,1205 1.281,1206 2.052,1207 1.904,1208 1.876,1209 2.033,1210 1.994,1211 1.248,1212 2.008,1213 1.826,1214 1.793,1215 1.982,1216 1.978,1217 1.133,1218 1.978,1219 1.764,1220 1.719,1221 1.922,1222 1.935,1223 1.046,1224 1.933,1225 1.421,1226 1.376,1227 1.644,1228 1.683,1229 0.832,1230 1.658,1231 1.408,1232 1.353,1233 1.605,1234 1.64,1235 0.718,1236 1.631,1237 1.293,1238 1.263,1239 1.475,1240 1.602,1241 0.613,1242 1.545,1243 1.234,1244 1.203,1245 1.423,1246 1.486,1247 0.557,1248 1.473,1249 4.443,1251 5.759,1253 7.252,1255 8.825,1257 10.443,1259 2.745,1261 39.193,1265 0.128,1266 4.481,1267 5.159,1270 -2.662,1271 1.07,1272 -5.135,1273 44.69,1274 119.842,1275 266.056,1276 336.056,1277 361.275,1278 374.785,1279 380.785,1280 160.527,1281 7.653,1282 106.5,1283 106.5,1284 18,1285 12.67,1286 4.248,1287 3.7,1288 86.731,1289 191,1290 240,1291 0.202,1292 275.598,1293 514.86,1294 664.219,1295 22555,1296 4.3,1297 29.286,1298 0.732,1299 0.551,1300 26.786,1301 22.034,1302 18.951,1303 0.451,1304 0.3,1305 12.376,1306 18.054,1307 12.1,1308 10.054,1309 17.74,1310 12.601,1311 17.763,1312 0.306,1313 0.163,1314 15.853,1315 9.453,1316 13.314,1317 0.193,1318 0.088,1319 12.162,1320 6.074,1321 10.06,1322 0.123,1323 0.048,1324 9.678,1325 3.964,1326 8.285,1327 0.084,1328 0.026,1329 7.619,1330 2.622,1331 0.318,1332 120.53,1333 0.194,1334 36.076,1335 0.552,1336 200,1337 853.322,1338 236.493,1339 729.728,1340 932.16,1341 672,1342 227,1343 629.746,1344 257.399,1345 614.621,1346 911.39,1347 574,1348 5.018}
{0 CHEMBL111765,1 1.573,2 18.864,3 3.779,4 14.28,5 210.562,6 6.508,8 4.906,9 5.039,10 4.316,11 4.354,12 5.935,13 3.604,14 5.527,15 5.723,16 4.732,17 4.801,18 6.56,19 3.979,20 5.901,21 6.127,22 4.864,23 5.024,24 6.913,25 4.108,26 6.052,27 6.3,28 4.924,29 5.072,30 7.101,31 4.095,32 6.036,33 6.266,34 4.972,35 5.061,36 7.303,37 4.083,38 6.052,39 6.284,40 4.981,41 5.15,42 7.134,43 4.051,44 6.159,45 6.4,46 5.043,47 5.22,48 7.21,49 3.991,50 6.256,51 6.504,52 5.081,53 5.253,54 7.426,55 3.844,56 0.238,57 1.831,58 30.936,59 12.594,60 33.417,61 5.941,62 0.892,63 3.005,64 59.008,65 21.427,66 138.925,67 10.295,68 1.558,69 3.877,70 87.739,71 28.914,72 219.601,73 12.922,74 1.859,75 4.21,76 103.251,77 30.35,78 270.17,79 13.497,80 2.953,81 4.111,82 103.361,83 29.222,84 467.277,85 12.767,86 2.244,87 4.431,88 102.812,89 33.116,90 329.271,91 12.644,92 1.814,93 4.692,94 113.471,95 34.762,96 303.21,97 12.582,98 3.052,99 4.825,100 127.057,101 36.48,102 504.415,103 12.223,104 1,105 384,106 91,107 0.221,108 0.432,109 0.669,110 0.828,111 0.862,112 0.873,113 4.096,114 1.048,115 0.93,116 0.73,117 0.44,120 32,121 8,122 12,123 4,124 1,126 1,128 6,129 1,130 1,153 7,158 1,159 1,160 1,162 2,164 2,165 18,166 2,167 2,168 7,171 6,173 7,176 16,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 11,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 5,206 8,207 11,208 1,210 6,211 2,212 9,213 1,215 10,217 1,219 3,220 11,221 1,222 1,223 7,224 4,225 12,226 1,227 20,228 1,229 1,230 1,231 22,232 1,234 1,236 7,237 2,239 16,240 3,243 1,244 7,245 18,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 18,254 2,255 1,256 1,257 1,258 16,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 28,267 1,268 2,270 9826,271 37.572,272 37.572,273 37.572,274 37.572,275 37.572,276 36.532,277 38.451,278 21.7,279 38.031,280 30.436,281 30.436,282 30.436,283 30.436,284 30.436,285 28.517,286 42.998,287 10.184,288 31.177,289 5.427,290 3.933,291 2.244,292 1.112,293 0.875,294 0.797,295 4.77,303 2310,304 7.937,305 143.977,306 379.684,307 411.245,310 609.341,313 3.067,314 116.394,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 131.5,326 1113,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.164,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.282,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.196,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.841,368 3.146,369 1.956,370 9.149,371 2.796,372 3.882,373 3.612,374 6.098,375 3.732,376 2.757,377 3.017,378 1.928,379 8.792,380 2.698,381 3.764,382 3.585,383 6.063,384 3.58,385 2.622,386 2.909,387 1.905,388 8.591,389 2.567,390 3.619,391 3.527,392 5.799,393 3.533,394 2.561,395 2.69,396 0.632,397 7.733,398 2.374,399 3.527,400 3.315,401 5.639,402 3.186,403 2.179,404 2.626,405 0.382,406 6.574,407 2.166,408 3.452,409 2.757,410 5.302,411 3.072,412 2.068,413 2.604,414 0.265,415 6.094,416 2.055,417 3.247,418 2.622,419 4.69,420 3.051,421 2.056,422 2.274,423 0.159,424 5.159,425 2.021,426 3.004,427 2.442,428 4.66,429 2.932,430 1.964,431 2.005,432 0.107,433 5.09,434 1.896,435 2.974,436 2.316,437 4.652,438 2.812,439 1.8,440 1.973,441 0.014,442 4.606,443 1.812,444 2.771,445 2.23,446 4.633,447 2.766,448 1.771,449 1.771,451 4.438,452 1.757,453 2.769,454 2.154,455 4.556,456 2.583,457 1.573,458 1.734,460 3.941,461 1.58,462 27.233,463 0.462,464 2.145,465 0.036,466 48,467 0.814,468 10.5,469 0.178,470 37.5,471 0.636,472 104.657,473 1.774,474 72.367,475 0.565,476 53.436,477 0.906,478 7.634,479 0.129,480 19.979,481 0.339,482 0.272,483 0.037,484 0.37,490 0.852,491 1.544,492 0.946,493 1.384,494 0.655,495 0.915,496 0.547,497 1.349,498 0.847,499 1.237,500 0.437,501 0.981,502 0.957,503 1.158,504 1.038,505 1.166,506 0.867,507 1.068,508 1.237,509 1.164,510 1.01,511 1.087,512 1.046,513 0.956,514 1.17,515 1.062,516 1.057,517 0.995,518 1.096,519 0.959,520 1.017,521 1.137,522 1.034,523 1.139,524 0.976,525 0.92,526 1.03,527 1.167,528 1.025,529 1.131,530 0.946,531 1.017,532 1.026,533 0.966,534 1.029,535 0.955,536 1.02,537 0.966,538 16.5,539 0.867,540 9.111,541 6.097,542 4.704,543 2.653,544 2.2,545 1.742,546 1.485,547 1.052,548 70042,549 176947,550 1.901,551 53.9,552 32,553 8,554 1,556 8,557 4,558 14,559 2,560 1.892,561 1.702,562 4.146,563 4.146,569 201.289,570 1.573,571 3.067,572 4.756,573 5.888,574 6.125,575 6.203,576 3.6,577 5.679,578 5.855,579 4.405,580 7536.32,581 10.489,582 176536,587 896,588 1.744,589 5.752,590 0.266,591 0.009,592 0.102,593 0.064,594 0.047,595 0.026,596 0.02,597 0.015,598 0.013,599 0.009,600 0.571,601 0.17,602 0.5,603 2.49,604 373.302,605 -0.131,606 -0.092,607 0.014,608 -0.027,609 -0.054,610 0.03,611 0.194,612 -0.095,613 0.109,614 -0.038,615 0.146,616 -0.031,617 0.015,618 0.005,619 -0.043,620 -0.052,621 -0.04,622 -0.109,623 -0.115,624 -0.033,625 0.009,626 -0.006,627 -0.06,628 0.007,629 0.085,630 0.043,631 -0.008,632 0.049,633 0.121,634 -0.019,635 0.028,636 0.047,637 -0.03,638 -0.004,639 -0.005,640 0.036,641 -0.067,642 -0.083,643 -0.033,644 -0.082,645 -0.018,646 -0.047,647 0.047,648 0.017,649 -0.016,650 0.008,651 0.074,652 0.015,653 3.006,654 7.309,655 0.254,656 97.183,657 1.003,658 1.141,659 -2.158,660 4.655,661 0.607,662 4.143,663 4.522,664 4.779,665 5.017,666 5.215,667 5.352,668 5.476,669 5.606,670 5.656,671 5.724,672 11.355,673 0.651,674 832.97,675 4.143,676 5.727,677 6.586,678 7.496,679 8.389,680 9.31,681 10.221,682 11.151,683 12.075,684 13.013,685 4.7,686 1,692 5,720 128,721 1,723 7,725 62,727 131,728 41,735 4,736 7,741 8,742 1,744 1,745 6,746 3,748 18,749 7,750 34,751 5,754 7,759 7,763 7,768 69,769 17,770 8,771 18,775 6,780 0.5,781 11,786 1,787 1,788 2,789 2,792 2,800 4,801 1,802 2,807 1,811 2,813 2,817 8,821 59,822 1,827 2,828 13,829 4,830 2,832 1,833 11,834 1,835 2,840 8.6,842 2,843 7,844 2,847 34.667,848 24.183,849 12.903,850 8.511,851 0.165,852 1.018,853 0.959,854 17.448,855 9.119,856 4.248,857 4.663,858 4.92,859 5.176,860 5.412,861 5.476,862 5.609,863 5.771,864 5.781,865 5.866,866 1,867 96,868 22.62,870 10.237,871 8.037,872 42.143,874 36.085,877 2.537,878 149.667,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.594,928 0.339,929 0.171,930 0.091,931 38,932 24,933 0.168,934 22,935 3,936 1.333,937 5.855,938 670.326,939 0.4,940 14,941 341.076,945 49.062,946 20.982,947 11.864,949 150.083,957 60.694,958 547.756,959 69,964 90.845,968 -5.866,969 128.374,970 146.109,971 0.225,972 0.438,973 0.679,974 0.841,975 0.875,976 0.886,977 5.583,978 2.561,979 6.645,980 8.591,981 5.209,982 5.352,983 3.946,984 7.56,985 5.16,986 6.766,987 2.179,988 8.288,989 7.733,990 5.13,991 5.352,992 3.633,993 8.889,994 5.059,995 8.089,996 2.068,997 10.047,998 6.574,999 6.954,1000 7.203,1001 5.157,1002 12.026,1003 6.848,1004 9.44,1005 2.056,1006 11.88,1007 6.094,1008 7.674,1009 7.966,1010 5.443,1011 14.233,1012 7.548,1013 10.828,1014 1.964,1015 13.764,1016 5.159,1017 9.078,1018 9.385,1019 6.551,1020 17.031,1021 8.922,1022 12.241,1023 1.8,1024 15.685,1025 5.09,1026 10.13,1027 10.449,1028 7.097,1029 19.572,1030 9.956,1031 13.675,1032 1.771,1033 17.636,1034 4.606,1035 11.425,1036 11.747,1037 8.039,1038 22.305,1039 11.227,1040 3.847,1041 1.573,1042 19.611,1043 4.438,1044 12.619,1045 12.935,1046 8.718,1047 24.972,1048 12.404,1049 3.203,1050 15.757,1051 21.605,1052 3.941,1053 13.9,1054 14.207,1055 9.589,1056 27.704,1057 13.665,1058 3.173,1059 12.336,1060 23.616,1061 3.847,1062 15.159,1063 15.451,1064 10.339,1065 30.421,1066 14.908,1067 2.989,1068 11.03,1069 25.641,1070 3.454,1071 16.451,1072 16.728,1073 11.182,1074 33.16,1075 16.183,1076 2.841,1077 9.697,1078 27.676,1079 3.282,1080 17.744,1081 18.002,1082 11.971,1083 35.897,1084 17.46,1085 2.757,1086 9.149,1087 29.722,1088 3.196,1089 19.051,1090 19.292,1091 12.805,1092 38.644,1093 18.752,1094 2.622,1095 8.792,1096 31.775,1097 3.146,1098 20.364,1099 20.585,1100 13.616,1101 41.39,1102 20.048,1103 69162,1104 110548,1105 37.915,1106 77.739,1107 95.678,1108 100.332,1109 100.752,1110 94.533,1111 94.393,1112 101.765,1113 32.089,1114 287.242,1115 92.278,1116 5.847,1117 5.976,1118 8.091,1119 5.959,1120 5.847,1121 5.847,1122 3.925,1123 24.986,1124 5.774,1125 48.004,1126 1.543,1127 1.618,1128 1.625,1129 1.525,1130 1.522,1131 1.641,1132 0.518,1133 4.633,1134 1.488,1135 4.099,1136 4.132,1137 4.016,1138 4.015,1139 7.478,1140 3.921,1141 3.959,1142 4.007,1143 3.879,1144 3.795,1145 7.472,1146 3.837,1147 3.861,1148 3.909,1149 3.782,1150 3.688,1151 7.439,1152 3.649,1153 3.785,1154 3.84,1155 3.689,1156 3.666,1157 7.429,1158 3.473,1159 3.755,1160 3.811,1161 3.624,1162 3.597,1163 7.426,1164 3.293,1165 3.69,1166 3.745,1167 3.578,1168 3.543,1169 7.423,1170 3.068,1171 3.654,1172 3.699,1173 3.525,1174 3.498,1175 7.421,1176 2.932,1177 3.593,1178 3.646,1179 3.461,1180 3.484,1181 6.352,1182 2.771,1183 0.078,1184 0.064,1185 0.132,1186 0.078,1187 0.062,1188 4.847,1189 0.062,1190 3.976,1191 0.038,1192 8.155,1193 0.254,1194 4.827,1195 0.061,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.817,1208 1.77,1209 2.036,1210 2.019,1211 1.385,1212 2.005,1213 1.792,1214 1.738,1215 2.003,1216 1.966,1217 1.277,1218 1.892,1219 1.754,1220 1.706,1221 1.959,1222 1.944,1223 1.24,1224 1.772,1225 1.698,1226 1.646,1227 1.913,1228 1.891,1229 1.22,1230 1.588,1231 1.644,1232 1.591,1233 1.872,1234 1.834,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.829,1240 1.825,1241 1.133,1242 1.389,1243 1.553,1244 1.491,1245 1.814,1246 1.733,1247 1.05,1248 1.224,1249 4.828,1251 6.209,1252 3.045,1253 7.775,1254 5.416,1255 9.445,1256 7.564,1257 11.184,1259 15.772,1263 5.657,1264 18.265,1265 6.475,1266 10.928,1267 13.406,1269 -0.61,1270 -6.448,1271 1.518,1272 -0.276,1273 33.733,1274 201.289,1275 392.625,1276 608.793,1277 753.696,1278 783.961,1279 793.961,1280 348.863,1281 8.954,1282 255.79,1283 255.79,1284 20,1285 13.513,1286 3,1287 3,1288 136.706,1289 404,1290 405,1291 0.159,1292 448.179,1293 848.51,1294 1085.32,1295 120748,1297 43.982,1298 0.745,1299 0.614,1300 43.982,1301 36.214,1302 27.613,1303 0.445,1304 0.349,1305 21.401,1306 26.453,1307 20.675,1308 17.181,1309 27.613,1310 21.661,1311 26.678,1312 0.293,1313 0.205,1314 26.678,1315 18.65,1316 20.674,1317 0.175,1318 0.113,1319 20.674,1320 13.321,1321 16.437,1322 0.11,1323 0.063,1324 16.437,1325 9.423,1326 12.474,1327 0.068,1328 0.035,1329 12.474,1330 6.366,1331 0.255,1332 174.337,1333 0.162,1334 48.821,1335 0.424,1336 306,1337 918.575,1338 345.816,1339 851.765,1340 1102.08,1341 784,1342 362,1343 755.218,1344 399.608,1345 750.737,1346 1106.72,1347 705,1348 6.377}
{0 CHEMBL113261,1 1.85,2 13.462,3 4.584,4 21.009,5 139.899,6 8.812,7 0.293,8 4.256,9 4.356,10 3.932,11 3.773,12 5.503,13 3.786,14 4.802,15 4.944,16 4.374,17 4.14,18 6.402,19 4.14,20 5.055,21 5.222,22 4.439,23 4.297,24 6.515,25 4.27,26 5.179,27 5.382,28 4.411,29 4.28,30 6.489,31 4.27,32 5.178,33 5.351,34 4.514,35 4.245,36 6.776,37 4.28,38 5.193,39 5.378,40 4.43,41 4.202,42 6.788,43 4.225,44 5.064,45 5.262,46 4.359,47 4.192,48 6.405,49 4.19,50 4.988,51 5.125,52 4.499,53 4.26,54 6.544,55 4.266,56 0.278,57 1.083,58 9.272,59 5.906,60 43.481,61 6.377,62 1.247,63 2.029,64 21.531,65 9.795,66 180.456,67 11.165,68 1.339,69 1.89,70 32.157,71 12.642,72 218.398,73 15.028,74 1.511,75 2.094,76 41.234,77 13.239,78 205.554,79 15.794,80 1.808,81 2.238,82 37.649,83 13.322,84 279.996,85 14.386,86 2.272,87 2.248,88 42.062,89 13.151,90 386.379,91 12.933,92 1.559,93 1.821,94 37.745,95 11.203,96 210.621,97 12.582,98 1.202,99 1.818,100 30.752,101 11.973,102 181.522,103 13.197,105 110,106 58,107 0.294,108 0.631,109 0.782,110 0.838,111 0.85,112 0.85,113 3.693,114 0.887,115 -4.3,116 -4.24,117 -4,120 42.2,121 2,123 1,126 2,128 1,132 1,135 2,138 2,140 9,141 2,142 1,151 1,153 2,154 1,165 13,167 2,168 3,171 3,173 2,176 14,181 1,182 7,185 4,187 3,190 10,195 12,200 1,203 5,206 6,207 12,210 1,212 5,215 2,219 1,220 10,223 1,224 1,225 7,227 2,231 8,236 5,239 6,244 3,245 13,248 2,250 1,253 11,258 12,261 1,263 4,266 12,270 3676,271 25.023,272 25.023,273 25.023,274 25.023,275 25.023,276 22.599,277 26.108,278 14.588,279 25.644,280 20.168,281 20.168,282 20.168,283 20.168,284 20.168,285 16.375,286 29.063,287 6.925,288 21.252,289 4.15,290 2.037,291 1.087,292 0.735,293 0.66,294 0.66,295 4.366,298 1,302 1,303 1079,304 5.431,307 458.568,313 2.142,314 81.856,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.83,323 1,324 0.76,325 89.333,326 525,327 4.472,328 4.61,329 7.213,330 4.266,331 3.369,332 3.927,333 3.975,334 11.99,335 3.09,336 4.455,337 3.82,338 6.764,339 4.148,340 3.183,341 3.606,342 2.204,343 11.038,344 3.059,345 4.06,346 3.648,347 6.028,348 3.665,349 2.689,350 3.54,351 1.966,352 8.555,353 2.623,354 3.907,355 3.552,356 6.004,357 3.581,358 2.655,359 3.447,360 1.793,361 8.361,362 2.497,363 3.779,364 3.272,365 5.396,366 3.521,367 2.542,368 3.042,369 1.197,370 7.044,371 2.418,372 3.689,373 2.987,374 5.33,375 3.324,376 2.379,377 2.88,378 0.814,379 6.759,380 2.232,381 3.534,382 2.783,383 5.022,384 3.149,385 2.187,386 2.731,387 0.363,388 5.986,389 2.089,390 3.429,391 2.758,392 4.956,393 3.09,394 2.126,395 2.484,396 0.181,397 5.762,398 1.944,399 3.081,400 2.376,401 4.731,402 2.66,403 1.704,404 2.136,405 0.141,406 4.907,407 1.61,408 2.94,409 2.14,410 4.299,411 2.472,412 1.478,413 2.06,415 3.759,416 1.467,417 2.909,418 1.956,419 4.272,420 2.401,421 1.414,422 2.007,424 3.449,425 1.355,426 2.647,427 1.744,428 3.631,429 2.35,430 1.365,431 1.572,433 3.125,434 1.298,435 2.5,436 1.281,437 3.464,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1.26,446 3.414,447 2,448 1,449 1.5,451 2.136,452 1,453 1.971,454 1.254,455 3.247,456 1.595,457 0.648,458 0.743,460 1.611,461 0.597,462 17.938,463 0.46,464 1.31,465 0.034,466 45.75,467 1.173,468 21,469 0.538,470 24.75,471 0.635,472 38.888,473 0.997,474 43.862,475 0.685,476 47.786,477 1.225,478 9.629,479 0.247,480 8.733,481 0.224,482 0.218,483 0.028,484 0.329,487 3,490 0.616,491 1.076,492 0.595,493 1.053,494 0.579,495 0.934,496 0.478,497 0.852,498 0.65,499 0.957,500 0.447,501 0.955,502 0.608,503 0.862,504 0.886,505 1.07,506 0.607,507 1.088,508 0.955,509 0.791,510 0.899,511 0.915,512 0.94,513 0.922,514 1.13,515 1.123,516 0.793,517 0.966,518 1.14,519 0.928,520 1.522,521 1.112,522 1.095,523 0.864,524 1.603,525 0.955,526 1.163,527 0.622,528 1.005,529 0.654,530 1.174,531 0.749,532 0.776,533 0.948,534 0.973,535 1.13,536 0.787,537 1.03,538 10,539 0.504,540 5.111,541 2.938,542 2.898,543 1.493,544 0.973,545 0.955,546 0.856,547 0.574,548 22163,549 85717,550 1.931,551 39.1,552 6,553 16,556 2,558 1,560 1.8,561 1.753,562 3.67,563 0.213,569 118.402,570 1.85,571 3.963,572 4.913,573 5.265,574 5.34,575 5.34,576 3.1,577 4.856,578 5.252,579 3.904,580 2892.56,581 9.302,582 49746.3,587 384,588 1.69,589 5.174,590 0.244,591 0.01,592 0.088,593 0.048,594 0.048,595 0.023,596 0.017,597 0.017,598 0.013,599 0.009,600 0.518,601 0.17,602 0.88,603 1.536,604 218.038,605 -0.046,606 -0.088,607 0.008,608 -0.039,609 -0.068,611 0.333,612 0.196,613 0.107,614 0.028,615 0.286,616 -0.017,617 0.135,618 -0.034,619 -0.023,620 -0.105,621 0.124,622 -0.116,623 -0.09,624 0.038,625 -0.009,626 0.006,627 -0.089,628 0.048,629 -0.032,630 -0.14,631 0.029,632 -0.04,633 0.013,634 -0.003,635 -0.198,636 0.088,637 -0.18,638 0.072,639 -0.181,640 -0.057,641 -0.199,642 0.245,643 -0.047,644 0.258,645 -0.194,646 0.185,647 0.064,648 -0.105,649 -0.014,650 -0.131,651 0.078,652 -0.076,653 6.405,654 6.328,655 0.462,656 50.276,657 1.036,658 1.139,659 3.074,660 9.449,661 0.67,662 3.738,663 4.078,664 4.263,665 4.454,666 4.673,667 4.635,668 4.754,669 4.927,670 5.011,671 5.03,672 8.231,673 0.663,674 564,675 3.738,676 5.293,677 6.12,678 6.997,679 7.847,680 8.724,681 9.586,682 10.465,683 11.333,684 12.214,685 4.7,692 3,699 9,704 3,706 12,719 1,720 64,723 18,724 2,725 41,727 66,728 27,729 12,730 3,731 9,732 5,735 3,736 3,737 1,741 3,747 1,748 1,749 20,750 7,751 1,754 6,759 4,761 2,763 6,766 3,768 25,769 11,770 2,771 12,772 1,775 3,780 1,781 5,789 3,798 1,800 1,801 1,805 4,810 1,813 3,817 2,818 1,819 3,821 39,828 2,829 2,830 1,833 2,834 1,835 1,839 4,840 7.8,843 4,845 1,847 22.25,848 11.938,849 8.5,850 3.648,851 2.399,852 1.314,853 0.94,854 10.093,855 10.046,856 3.989,857 4.511,858 4.934,859 5.347,860 5.837,861 5.904,862 6.195,863 6.544,864 6.833,865 7.018,866 0.889,867 61,868 15.838,870 8.038,871 8.437,872 25.995,874 20.728,877 2.937,878 114.528,882 270.735,883 173.037,884 39.146,885 39.149,886 111.58,887 44.88,889 173.037,890 421.464,891 84.026,892 17.65,893 45.844,894 104.239,895 120.636,896 65.752,897 6.763,898 270.735,899 46.908,900 270.735,901 212.183,902 156.46,903 39.149,905 258.964,906 168.231,909 71.254,910 116.463,911 63.615,913 315.616,914 150.725,915 212.186,918 278.495,919 43.389,920 125.013,921 36.022,922 195.609,923 270.735,924 195.606,925 212.186,927 0.591,928 0.329,929 0.164,930 0.096,931 24,932 14,933 0.152,934 10,936 1,937 4.628,938 370.869,940 18,941 191.376,945 30.105,946 13.075,947 8.269,949 195.606,950 15.081,955 1.595,957 36.022,958 678.527,959 53,964 50.318,966 2.764,968 -4.872,969 66.291,970 72.903,971 0.308,972 0.661,973 0.819,974 0.878,975 0.89,976 0.89,977 5.252,978 2.126,979 6.151,980 5.986,981 4.762,982 5.198,983 3.872,984 6.98,985 4.667,986 6.467,987 1.704,988 7.738,989 5.762,990 4.575,991 5.047,992 4.182,993 8.097,994 4.359,995 7.779,996 1.478,997 9.435,998 4.907,999 6.418,1000 7.254,1001 5.828,1002 11.123,1003 6.214,1004 9.12,1005 1.414,1006 11.198,1007 3.759,1008 6.995,1009 7.808,1010 6.945,1011 13.039,1012 6.671,1013 10.49,1014 1.365,1015 13.003,1016 3.449,1017 8.391,1018 9.571,1019 8.355,1020 15.674,1021 8.056,1022 11.879,1023 1,1024 14.839,1025 3.125,1026 9.298,1027 10.448,1028 9.678,1029 17.908,1030 8.857,1031 13.284,1032 1,1033 16.699,1034 2.275,1035 10.542,1036 12.024,1037 11.059,1038 20.424,1039 10.066,1040 3.369,1041 0.648,1042 18.577,1043 2.136,1044 11.6,1045 13.075,1046 12.427,1047 22.789,1048 11.03,1049 3.183,1050 11.99,1051 20.469,1052 1.611,1053 12.795,1054 14.553,1055 13.806,1056 25.267,1057 12.171,1058 2.689,1059 11.038,1060 22.374,1061 3.927,1062 13.923,1063 15.708,1064 15.183,1065 27.688,1066 13.214,1067 2.655,1068 8.555,1069 24.288,1070 3.606,1071 15.106,1072 17.13,1073 16.562,1074 30.155,1075 14.332,1076 2.542,1077 8.361,1078 26.211,1079 3.54,1080 16.267,1081 18.351,1082 17.942,1083 32.6,1084 15.412,1085 2.379,1086 7.044,1087 28.14,1088 3.447,1089 17.452,1090 19.74,1091 19.322,1092 35.065,1093 16.525,1094 2.187,1095 6.759,1096 30.075,1097 3.042,1098 18.63,1099 21.005,1100 20.702,1101 37.523,1102 17.624,1103 22032,1104 43565,1105 25.66,1106 42.858,1107 63.072,1108 64.12,1109 63.855,1110 61.889,1111 61.425,1112 76.725,1113 25.267,1114 178.308,1115 58.426,1116 5.449,1117 6.61,1118 7.015,1119 5.344,1120 5.369,1121 6.927,1122 5.723,1123 19.63,1124 5.09,1125 26.935,1126 1.538,1127 1.564,1128 1.557,1129 1.509,1130 1.498,1131 1.871,1132 0.616,1133 4.349,1134 1.425,1135 4.009,1136 4.037,1137 4.031,1138 3.926,1139 8.516,1140 3.927,1141 3.905,1142 3.933,1143 3.861,1144 3.843,1145 7.999,1146 3.836,1147 3.839,1148 3.878,1149 3.815,1150 3.683,1151 7.999,1152 3.695,1153 3.765,1154 3.793,1155 3.768,1156 3.636,1157 7.44,1158 3.647,1159 3.512,1160 3.546,1161 3.48,1162 3.266,1163 7.43,1164 3.293,1165 3.47,1166 3.52,1167 3.418,1168 3.184,1169 7.423,1170 3.23,1171 3.387,1172 3.404,1173 3.329,1174 3.133,1175 7.416,1176 3.174,1177 3.114,1178 3.166,1179 3.254,1180 2.987,1181 4.949,1182 2.986,1183 0.109,1184 0.112,1185 0.176,1186 0.104,1187 0.082,1188 4.472,1189 0.096,1190 4.61,1191 0.097,1192 7.213,1193 0.292,1194 4.266,1195 0.075,1196 3.369,1197 3.927,1198 3.975,1199 11.99,1200 3.09,1201 1.948,1202 1.926,1203 2.034,1204 2.055,1205 1.25,1206 2.046,1207 1.903,1208 1.876,1209 2.026,1210 1.993,1211 1.159,1212 2.006,1213 1.777,1214 1.734,1215 1.978,1216 1.962,1217 1.132,1218 1.962,1219 1.714,1220 1.684,1221 1.816,1222 1.858,1223 0.932,1224 1.852,1225 1.412,1226 1.363,1227 1.611,1228 1.678,1229 0.731,1230 1.658,1231 1.302,1232 1.272,1233 1.482,1234 1.628,1235 0.614,1236 1.56,1237 1.253,1238 1.229,1239 1.423,1240 1.536,1241 0.557,1242 1.494,1243 1.075,1244 1.037,1245 1.417,1246 1.286,1247 0.469,1248 1.308,1249 4.419,1251 5.753,1253 7.263,1255 8.855,1257 10.492,1259 2.705,1260 5.946,1261 39.137,1265 -0.796,1266 4.412,1267 5.137,1270 -2.718,1271 0.973,1272 -5.155,1273 42.464,1274 118.402,1275 253.642,1276 314.451,1277 336.98,1278 341.735,1279 341.735,1280 157.761,1281 7.647,1282 106.5,1283 106.5,1284 18,1285 12.752,1286 4.248,1287 3.7,1288 83.322,1289 180,1290 230,1291 0.209,1292 264.746,1293 495.47,1294 637.741,1295 21407,1296 6.3,1297 28.742,1298 0.737,1299 0.556,1300 26.742,1301 21.676,1302 18.362,1303 0.448,1304 0.296,1305 11.548,1306 17.157,1307 11.265,1308 9.336,1309 17.439,1310 12.122,1311 17.606,1312 0.304,1313 0.16,1314 16.103,1315 9.305,1316 13.217,1317 0.189,1318 0.084,1319 12.354,1320 5.862,1321 9.996,1322 0.118,1323 0.044,1324 9.781,1325 3.772,1326 8.427,1327 0.079,1328 0.024,1329 7.975,1330 2.54,1331 0.328,1332 120.17,1333 0.197,1334 35.166,1335 0.575,1336 198,1337 879.525,1338 250.013,1339 783.555,1340 993.99,1341 720,1342 227,1343 652.609,1344 267.324,1345 646.808,1346 961.83,1347 604,1348 6.301}
{0 CHEMBL11391,1 1.754,2 13.395,3 3.919,4 15.36,5 135.094,6 8.274,7 0.3,8 4.252,9 4.357,10 3.874,11 3.753,12 5.488,13 3.767,14 4.796,15 4.944,16 4.299,17 4.112,18 6.384,19 4.113,20 5.047,21 5.223,22 4.362,23 4.264,24 6.489,25 4.24,26 5.174,27 5.383,28 4.37,29 4.259,30 6.473,31 4.252,32 5.176,33 5.352,34 4.482,35 4.233,36 6.772,37 4.268,38 5.189,39 5.379,40 4.353,41 4.181,42 6.776,43 4.203,44 5.056,45 5.263,46 4.239,47 4.147,48 6.381,49 4.149,50 4.975,51 5.127,52 4.377,53 4.216,54 6.488,55 4.225,56 0.233,57 1.095,58 10.489,59 5.966,60 38.868,61 6.662,62 1.198,63 2.045,64 22.866,65 9.681,66 175.074,67 11.462,68 1.23,69 1.911,70 31.312,71 12.249,72 207.418,73 15.259,74 1.368,75 2.103,76 39.882,77 12.71,78 191.161,79 15.923,80 1.695,81 2.242,82 39.049,83 12.988,84 266.734,85 14.532,86 2.137,87 2.253,88 42.616,89 12.707,90 371.795,91 13.106,92 1.439,93 1.84,94 36.39,95 10.6,96 193.55,97 12.78,98 1.036,99 1.85,100 28.033,101 11.495,102 163.905,103 13.438,105 91,106 56,107 0.279,108 0.607,109 0.748,110 0.811,111 0.845,112 0.85,113 3.668,114 0.873,115 -3.84,116 -3.8,117 -3.61,120 42.2,121 2,123 1,126 2,128 1,132 1,135 2,138 2,140 10,141 2,151 1,153 2,154 1,165 15,167 2,168 3,171 3,173 2,176 14,181 1,182 7,185 4,187 3,190 9,195 12,200 1,203 4,206 6,207 13,210 1,212 5,215 3,219 1,220 9,223 1,224 1,225 7,227 2,231 9,236 5,239 5,244 3,245 13,248 2,250 3,253 11,258 11,261 1,263 2,266 12,270 3376,271 24.576,272 24.576,273 24.576,274 24.576,275 24.576,276 22.176,277 24.507,278 14.502,279 25.06,280 19.701,281 19.701,282 19.701,283 19.701,284 19.701,285 15.97,286 28.421,287 6.888,288 20.509,289 4.246,290 2.188,291 1.297,292 0.903,293 0.692,294 0.66,295 4.342,302 1,303 1048,304 5.385,307 444.625,313 2.132,314 77.825,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.83,323 1,324 0.76,325 87,326 509,327 4.47,328 4.61,329 7.213,330 4.266,331 3.369,332 3.903,333 3.975,334 11.99,335 3.09,336 4.454,337 3.82,338 6.764,339 4.147,340 3.182,341 3.606,342 2.204,343 11.036,344 3.058,345 4.02,346 3.648,347 6.025,348 3.643,349 2.664,350 3.461,351 1.966,352 8.54,353 2.614,354 3.904,355 3.551,356 6.004,357 3.58,358 2.653,359 3.439,360 1.793,361 8.361,362 2.497,363 3.767,364 3.272,365 5.387,366 3.518,367 2.531,368 2.923,369 1.197,370 7.037,371 2.417,372 3.602,373 2.888,374 5.318,375 3.29,376 2.315,377 2.784,378 0.814,379 6.684,380 2.225,381 3.434,382 2.76,383 4.956,384 3.127,385 2.133,386 2.559,387 0.363,388 5.765,389 2.082,390 3.299,391 2.376,392 4.776,393 2.824,394 1.842,395 2.468,396 0.181,397 5.064,398 1.801,399 3.069,400 2.162,401 4.356,402 2.601,403 1.614,404 2.115,405 0.141,406 4.059,407 1.582,408 2.91,409 2.075,410 4.299,411 2.472,412 1.477,413 2.056,415 3.449,416 1.466,417 2.68,418 1.744,419 3.634,420 2.352,421 1.365,422 1.708,424 3.125,425 1.301,426 2.647,427 1.508,428 3.579,429 2.196,430 1.194,431 1.571,433 2.76,434 1.193,435 2.5,436 1.262,437 3.424,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1.258,446 3.247,447 2,448 1,449 1.5,451 2.136,452 1,453 1.969,454 1.119,455 3.247,456 1.593,457 0.648,458 0.742,460 1.606,461 0.596,462 17.224,463 0.453,464 1.204,465 0.032,466 45,467 1.184,468 21,469 0.553,470 24,471 0.632,472 36.362,473 0.957,474 42.776,475 0.668,476 46.669,477 1.228,478 9.556,479 0.251,480 8.412,481 0.221,482 0.185,483 0.029,484 0.314,487 3,490 0.613,491 1.08,492 0.673,493 1.127,494 0.575,495 0.973,496 0.465,497 0.859,498 0.727,499 1.031,500 0.445,501 1,502 0.572,503 0.865,504 0.846,505 1.087,506 0.591,507 1.084,508 0.948,509 0.791,510 0.926,511 0.917,512 0.931,513 0.904,514 1.16,515 1.122,516 0.971,517 1.02,518 1.148,519 0.947,520 1.572,521 1.11,522 1.332,523 0.902,524 1.616,525 0.978,526 1.152,527 0.63,528 1.059,529 0.692,530 1.163,531 0.78,532 0.748,533 0.95,534 0.805,535 1.092,536 0.779,537 1.005,538 9,539 0.454,540 4.667,541 2.875,542 2.707,543 1.382,544 0.852,545 0.884,546 0.761,547 0.551,548 20798,549 74562,550 1.944,551 40.6,552 6,553 17,556 2,558 1,560 1.793,561 1.774,562 3.66,563 0.201,569 112.287,570 1.754,571 3.812,572 4.703,573 5.097,574 5.308,575 5.34,576 3.114,577 4.682,578 5.215,579 3.89,580 2734.76,581 9.224,582 46063.3,587 384,588 1.667,589 5.143,590 0.225,591 0.009,592 0.083,593 0.049,594 0.046,595 0.022,596 0.015,597 0.017,598 0.012,599 0.009,600 0.487,601 0.33,602 0.88,603 1.544,604 210.853,605 -0.043,606 -0.089,607 0.017,608 -0.044,609 -0.069,610 -0.001,611 0.355,612 0.19,613 0.112,614 -0.005,615 0.287,616 -0.042,617 0.164,618 -0.035,619 0.03,620 -0.105,621 0.135,622 -0.102,623 -0.073,624 0.038,625 0.043,626 0.015,627 -0.079,628 0.065,629 -0.023,630 -0.143,631 0.026,632 -0.064,633 0.019,634 -0.017,635 -0.201,636 0.086,637 -0.264,638 0.048,639 -0.175,640 -0.079,641 -0.18,642 0.236,643 -0.073,644 0.217,645 -0.181,646 0.152,647 0.073,648 -0.102,649 0.061,650 -0.092,651 0.08,652 -0.038,653 6.391,654 6.287,655 0.474,656 47.562,657 1.031,658 1.14,659 2.612,660 6.821,661 0.656,662 3.714,663 4.043,664 4.234,665 4.431,666 4.635,667 4.575,668 4.7,669 4.868,670 4.927,671 4.949,672 8.116,673 0.651,674 529.56,675 3.714,676 5.263,677 6.089,678 6.963,679 7.813,680 8.689,681 9.55,682 10.428,683 11.295,684 12.175,685 4.7,692 3,699 10,704 2,706 12,720 64,723 18,724 2,725 40,727 66,728 27,729 12,730 2,731 10,732 5,735 3,736 3,741 3,747 1,748 1,749 20,750 7,751 1,754 6,759 4,761 2,763 6,766 3,768 26,769 11,770 2,771 11,775 3,780 1,781 5,789 3,798 1,800 1,801 1,805 4,810 1,813 3,817 2,819 3,821 38,828 2,829 2,830 1,833 2,834 1,835 1,839 3,840 7.8,843 4,845 1,847 21.417,848 11.879,849 8.333,850 3.668,851 2.368,852 1.313,853 0.94,854 9.625,855 9.937,856 3.97,857 4.477,858 4.902,859 5.314,860 5.787,861 5.802,862 6.138,863 6.463,864 6.725,865 6.889,866 0.889,867 59,868 15.436,870 7.812,871 8.414,872 25.435,874 20.25,877 2.914,878 110.75,882 282.506,883 179.013,884 39.146,886 111.58,887 44.88,889 179.013,890 394.086,891 84.026,892 17.65,893 45.844,894 113.715,895 120.636,896 62.251,897 6.763,898 282.506,899 7.76,900 282.506,901 218.159,902 156.46,905 270.735,906 168.231,909 71.254,910 122.439,911 24.466,913 327.387,914 150.725,915 179.013,918 290.266,919 39.888,920 134.49,921 36.022,922 156.46,923 282.506,924 195.606,925 179.013,927 0.587,928 0.329,929 0.167,930 0.096,931 23,932 13,933 0.152,934 10,936 1,937 4.575,938 357.133,940 18,941 184.666,945 28.838,946 12.683,947 7.885,949 195.606,950 17.351,955 1.27,957 36.022,958 657.125,959 52,964 50.202,966 2.824,968 -4.705,969 65.967,970 72.959,971 0.292,972 0.635,973 0.784,974 0.85,975 0.885,976 0.89,977 5.226,978 1.842,979 6.111,980 5.765,981 4.727,982 5.165,983 3.872,984 6.94,985 4.652,986 6.432,987 1.614,988 7.697,989 5.064,990 4.511,991 4.956,992 4.182,993 8.063,994 4.328,995 7.739,996 1.477,997 9.395,998 4.059,999 6.378,1000 7.202,1001 5.828,1002 11.099,1003 6.198,1004 9.076,1005 1.365,1006 11.16,1007 3.449,1008 6.948,1009 7.714,1010 6.945,1011 13.026,1012 6.651,1013 10.442,1014 1.194,1015 12.971,1016 3.125,1017 8.357,1018 9.506,1019 8.355,1020 15.664,1021 8.044,1022 11.831,1023 1,1024 14.812,1025 2.76,1026 9.266,1027 10.354,1028 9.678,1029 17.903,1030 8.845,1031 13.236,1032 1,1033 16.677,1034 2.136,1035 10.516,1036 11.949,1037 11.059,1038 20.42,1039 10.056,1040 3.369,1041 0.648,1042 18.56,1043 2.136,1044 11.578,1045 12.98,1046 12.427,1047 22.787,1048 11.021,1049 3.182,1050 11.99,1051 20.456,1052 1.606,1053 12.776,1054 14.469,1055 13.806,1056 25.265,1057 12.164,1058 2.664,1059 11.036,1060 22.364,1061 3.903,1062 13.907,1063 15.61,1064 15.183,1065 27.687,1066 13.207,1067 2.653,1068 8.54,1069 24.28,1070 3.606,1071 15.093,1072 17.038,1073 16.562,1074 30.154,1075 14.326,1076 2.531,1077 8.361,1078 26.205,1079 3.461,1080 16.256,1081 18.248,1082 17.942,1083 32.599,1084 15.406,1085 2.315,1086 7.037,1087 28.135,1088 3.439,1089 17.442,1090 19.64,1091 19.322,1092 35.064,1093 16.52,1094 2.133,1095 6.684,1096 30.071,1097 2.923,1098 18.622,1099 20.895,1100 20.702,1101 37.522,1102 17.619,1103 20632,1104 39324,1105 25.255,1106 42,1107 61.392,1108 62.162,1109 61.668,1110 60.025,1111 59.721,1112 74.829,1113 25.267,1114 171.823,1115 57.549,1116 5.447,1117 6.61,1118 7.015,1119 5.344,1120 5.369,1121 6.903,1122 5.723,1123 19.63,1124 5.09,1125 24.99,1126 1.535,1127 1.554,1128 1.542,1129 1.501,1130 1.493,1131 1.871,1132 0.632,1133 4.296,1134 1.439,1135 4.007,1136 4.038,1137 3.96,1138 3.917,1139 8.516,1140 3.92,1141 3.904,1142 3.933,1143 3.832,1144 3.842,1145 7.999,1146 3.835,1147 3.838,1148 3.878,1149 3.784,1150 3.679,1151 7.999,1152 3.691,1153 3.76,1154 3.794,1155 3.703,1156 3.629,1157 7.44,1158 3.641,1159 3.511,1160 3.546,1161 3.474,1162 3.266,1163 7.43,1164 3.293,1165 3.47,1166 3.52,1167 3.387,1168 3.184,1169 7.423,1170 3.23,1171 3.386,1172 3.405,1173 3.298,1174 3.129,1175 7.416,1176 3.171,1177 3.109,1178 3.166,1179 3.009,1180 2.969,1181 4.8,1182 2.971,1183 0.112,1184 0.115,1185 0.18,1186 0.107,1187 0.084,1188 4.47,1189 0.098,1190 4.61,1191 0.099,1192 7.213,1193 0.3,1194 4.266,1195 0.077,1196 3.369,1197 3.903,1198 3.975,1199 11.99,1200 3.09,1201 1.951,1202 1.926,1203 2.052,1204 2.06,1205 1.25,1206 2.053,1207 1.903,1208 1.876,1209 2.033,1210 1.993,1211 1.159,1212 2.007,1213 1.778,1214 1.734,1215 1.979,1216 1.964,1217 1.132,1218 1.963,1219 1.717,1220 1.683,1221 1.837,1222 1.87,1223 0.936,1224 1.864,1225 1.412,1226 1.363,1227 1.611,1228 1.678,1229 0.732,1230 1.658,1231 1.303,1232 1.272,1233 1.483,1234 1.628,1235 0.614,1236 1.56,1237 1.254,1238 1.229,1239 1.423,1240 1.538,1241 0.557,1242 1.495,1243 1.08,1244 1.036,1245 1.417,1246 1.291,1247 0.469,1248 1.308,1249 4.394,1251 5.72,1253 7.228,1255 8.818,1257 10.454,1259 2.726,1261 39.072,1265 -0.749,1266 4.436,1267 5.139,1270 -2.682,1271 1.007,1272 -5.141,1273 41.636,1274 112.287,1275 243.987,1276 301.006,1277 326.226,1278 339.735,1279 341.735,1280 147.461,1281 7.569,1282 106.5,1283 106.5,1284 18,1285 12.714,1286 4.248,1287 3.7,1288 79.96,1289 174,1290 220,1291 0.209,1292 256.413,1293 480.26,1294 617.409,1295 19536,1296 4.7,1297 27.872,1298 0.733,1299 0.543,1300 25.372,1301 20.619,1302 17.968,1303 0.449,1304 0.291,1305 11.419,1306 17.073,1307 11.171,1308 9.288,1309 16.757,1310 11.644,1311 16.984,1312 0.303,1313 0.156,1314 15.073,1315 8.728,1316 12.806,1317 0.188,1318 0.081,1319 11.654,1320 5.54,1321 9.845,1322 0.119,1323 0.044,1324 9.463,1325 3.635,1326 8.197,1327 0.08,1328 0.023,1329 7.532,1330 2.383,1331 0.328,1332 114.631,1333 0.199,1334 34.454,1335 0.573,1336 192,1337 845.322,1338 228.493,1339 721.463,1340 922.64,1341 664,1342 220,1343 625.746,1344 250.566,1345 610.297,1346 908.57,1347 570,1348 7.26}
{0 CHEMBL1160008,1 1.678,2 7.929,3 5.155,4 26.576,5 142.964,6 21.629,7 0.4,8 3.747,9 3.787,10 4.27,11 3.698,12 5.055,13 3.546,14 4.171,15 4.218,16 4.835,17 4.161,18 5.577,19 3.955,20 4.458,21 4.534,22 5.238,23 4.372,24 5.836,25 4.136,26 4.491,27 4.586,28 5.87,29 4.514,30 5.791,31 4.15,32 4.547,33 4.649,34 4.918,35 4.385,36 5.796,37 4.158,38 4.685,39 4.802,40 5.382,41 4.599,42 5.981,43 4.303,44 4.721,45 4.828,46 5.567,47 4.703,48 6.096,49 4.284,50 4.416,51 4.494,52 6.516,53 4.608,54 6.044,55 4.006,56 0.096,57 0.298,58 56.304,59 0.75,60 20.053,61 2.034,62 0.174,63 0.467,64 101.986,65 0.466,66 40.704,67 3.552,68 0.161,69 0.772,70 199.058,71 11.104,72 28.854,73 7.384,74 0.276,75 0.82,76 314.534,77 14.581,78 58.714,79 8.046,80 0.237,81 0.838,82 197.427,83 8.075,84 48.63,85 8.134,86 0.26,87 1,88 218.123,89 4.784,90 50.013,91 9.899,92 0.411,93 1.247,94 407.436,95 21.48,96 84.651,97 14.366,98 0.339,99 1.045,100 574.324,101 40.802,102 68.589,103 12.223,105 66,106 44,107 0.296,108 0.618,109 0.76,110 0.823,111 0.842,112 0.851,113 3.376,114 1.206,115 -6.34,116 -6.17,117 -5.73,120 52.6,135 2,136 2,138 2,140 6,141 3,142 3,151 1,153 1,162 1,164 1,165 13,166 1,168 1,171 1,173 1,176 21,177 2,182 6,187 6,190 21,191 3,195 4,200 4,203 27,204 3,207 4,212 4,215 18,216 4,220 6,225 6,227 20,231 4,236 4,239 8,240 4,245 6,246 1,250 6,251 1,253 8,257 1,258 3,261 2,262 1,263 3,270 1324,271 18.052,272 18.052,273 18.052,274 18.052,275 18.052,276 15.542,277 8.205,278 10.228,279 18.783,280 14.699,281 14.699,282 14.699,283 14.699,284 14.699,285 10.905,286 4.505,287 4.778,288 16.236,289 3.57,290 1.744,291 0.934,292 0.579,293 0.474,294 0.421,295 4.046,303 458,304 3.317,307 286.042,313 1.02,314 35.822,317 0.5,318 0.67,319 0.67,320 0.2,322 0.67,323 1,324 0.53,325 57.6,326 222,327 4.649,328 3.694,329 6.946,330 4.256,331 3.269,332 4.31,333 1.437,334 11.76,335 3.232,336 4.332,337 3.613,338 6.326,339 3.87,340 2.951,341 3.978,343 9.381,344 2.742,345 4.289,346 3.341,347 6.307,348 3.837,349 2.916,350 3.787,352 9.272,353 2.566,354 3.931,355 3.034,356 6.07,357 3.521,358 2.558,359 3.306,361 8.43,362 2.31,363 3.39,364 2.461,365 5.168,366 2.892,367 1.899,368 2.562,370 5.984,371 1.865,372 3.299,373 2.461,374 4.916,375 2.849,376 1.879,377 2.551,379 5.225,380 1.824,381 3.261,382 2.38,383 4.879,384 2.639,385 1.879,386 2.481,388 5.225,389 1.413,390 3.232,391 2.195,392 4.879,393 2.639,394 1.847,395 2.458,397 5.07,398 1.135,399 2.852,400 1.799,401 3.941,402 2.414,403 1.414,404 1.977,406 3.231,407 1.135,408 2.532,409 1.416,410 3.594,411 2.005,412 1,413 1.476,415 2.305,416 0.994,417 2.342,418 1.316,419 3.466,420 1.634,421 0.681,422 0.986,424 1.821,425 0.576,426 1.698,427 1.264,428 3.088,429 1.208,430 0.416,431 0.509,433 0.946,434 0.14,435 1.365,436 0.501,437 2.77,438 0.92,439 0.116,440 0.137,442 0.282,443 0.036,444 1,445 0.375,446 2.653,447 0.403,448 -0.347,449 -0.382,451 -0.898,452 -0.084,453 0.841,454 0.093,455 2.653,456 0.403,457 -0.347,458 -0.445,460 -0.898,461 -0.084,462 17.905,463 0.639,464 0.971,465 0.035,466 36,467 1.286,468 20,469 0.714,470 16,471 0.571,472 35.694,473 1.275,474 24.695,475 0.65,476 20.936,477 0.748,478 6.101,479 0.218,480 7.101,481 0.254,482 0.441,484 0.335,490 0.779,491 0.561,492 0.497,493 0.446,494 0.769,495 0.488,496 0.47,497 0.723,498 0.637,499 0.578,500 0.503,501 0.634,502 0.753,503 1.05,504 0.977,505 1.032,506 0.74,507 0.99,508 0.889,509 0.806,510 0.604,511 0.594,512 0.876,513 0.782,514 0.707,515 0.902,516 0.691,517 0.7,518 0.729,519 0.904,520 0.669,521 0.88,522 0.747,523 0.682,524 0.655,525 0.785,526 1.182,527 1.144,528 1.572,529 1.465,530 1.193,531 1.296,532 1.812,533 1.441,534 1.631,535 1.749,536 1.797,537 1.361,538 6.5,540 4.222,541 2.875,542 1.911,543 1.5,544 1.256,545 1.104,546 0.566,547 0.082,548 7460,549 36531,550 1.952,551 26.3,553 8,556 2,560 1.724,561 1.75,562 2.917,563 0.282,568 4,569 63.763,570 1.678,571 3.504,572 4.313,573 4.669,574 4.774,575 4.827,576 2.291,577 3.366,578 4.781,579 3.104,580 1173.47,581 8.388,582 15182.5,587 199.421,588 1.557,589 4.689,590 0.217,592 0.096,593 0.058,594 0.04,595 0.03,596 0.022,597 0.022,598 0.015,599 0.007,600 0.507,601 0.33,602 0.75,603 0.86,604 135.616,605 -0.107,606 0.144,608 0.029,609 -0.134,610 0.059,611 0.136,612 0.008,613 -0.018,614 0.009,615 0.112,616 -0.005,617 -0.011,618 -0.181,619 -0.087,620 -0.169,621 0.019,622 -0.131,623 -0.111,624 0.088,625 0.179,626 0.19,627 -0.095,628 0.084,629 -0.051,630 -0.045,631 -0.042,632 -0.042,633 -0.073,634 -0.081,635 0.011,636 0.032,637 -0.007,638 0.074,639 0.024,640 0.137,641 -0.138,642 -0.054,643 -0.238,644 -0.146,645 -0.151,646 -0.101,647 -0.194,648 -0.184,649 0.225,650 0.067,651 -0.185,652 0.033,653 2.693,654 5.191,655 0.643,656 20.429,657 1.02,658 1.069,659 5.108,660 26.092,661 0.994,662 3.434,663 3.807,664 4.094,665 4.344,666 4.595,667 4.745,668 4.836,669 4.949,670 4.92,671 4.828,672 5.291,673 0.837,674 821.9,675 3.434,676 5.004,677 5.872,678 6.772,679 7.662,680 8.568,681 9.465,682 10.376,683 11.276,684 12.189,699 6,704 6,706 12,711 1,717 1,719 2,720 38,723 17,724 2,725 30,727 40,728 20,729 12,730 6,731 6,732 8,733 2,735 3,736 3,749 20,753 2,754 5,759 2,761 2,763 6,768 10,769 4,770 2,771 8,772 4,773 4,780 1,781 4,789 3,798 1,805 4,806 2,811 1,813 3,820 4,821 28,827 2,839 4,840 10.5,842 2,843 2,847 16,848 6.971,849 6.083,850 2.055,851 2.667,852 1.378,853 1.005,854 7.504,855 9.716,856 3.738,857 4.382,858 4.984,859 5.547,860 6.142,861 6.533,862 6.96,863 7.362,864 7.694,865 7.908,866 1,867 50,868 10.383,870 4.488,871 8.017,872 19.272,874 15.723,877 2.517,878 70.48,882 94.169,883 331.548,886 135.657,888 227.128,889 104.42,890 229.825,894 75.81,895 145.019,896 19.247,898 321.297,900 94.169,901 104.42,902 135.657,904 227.128,905 94.169,906 135.657,910 82.148,911 22.272,912 227.128,913 94.169,914 135.657,915 104.42,916 227.128,918 94.169,919 28.61,920 302.938,922 135.657,923 94.169,924 135.657,925 104.42,926 227.128,927 0.6,928 0.362,929 0.184,930 0.102,931 21,932 12,933 0.075,934 3,936 1,937 3.577,938 255.656,940 18,941 122.606,945 22.528,946 9.327,947 4.792,949 135.657,950 10.426,955 3.008,957 85.367,958 561.373,959 41,964 24.046,966 3.539,968 1.497,969 38.771,970 40.626,971 0.32,972 0.668,973 0.822,974 0.89,975 0.91,976 0.92,977 5.004,978 1.847,979 5.905,980 5.225,981 4.489,982 5.069,983 1.635,984 6.777,985 4.311,986 6.266,987 1.414,988 7.518,989 5.07,990 4.29,991 5.037,993 7.803,994 3.935,995 7.612,996 1,997 9.229,998 3.231,999 6.151,1000 7.311,1001 2.253,1002 10.931,1003 5.901,1004 8.991,1005 0.681,1006 10.994,1007 2.305,1008 6.711,1009 8.027,1011 12.747,1012 6.33,1013 10.397,1014 0.416,1015 12.792,1016 1.821,1017 8.11,1018 9.827,1019 2.922,1020 15.422,1021 7.796,1022 11.824,1023 0.116,1024 14.613,1025 0.946,1026 8.999,1027 10.893,1029 17.581,1030 8.603,1031 13.266,1032 -0.347,1033 16.451,1034 0.282,1035 10.234,1036 12.495,1037 3.619,1038 20.098,1039 9.869,1040 3.269,1041 -0.347,1042 18.301,1043 -0.898,1044 11.266,1045 13.737,1047 22.414,1048 10.859,1049 2.951,1050 11.76,1051 20.162,1052 -0.898,1053 12.441,1054 15.248,1055 4.33,1056 24.878,1057 12.048,1058 2.916,1059 9.381,1060 22.031,1061 4.31,1062 13.539,1063 16.581,1065 27.267,1066 13.126,1067 2.558,1068 9.272,1069 23.907,1070 3.978,1071 14.695,1072 18.05,1073 5.047,1074 29.718,1075 14.288,1076 1.899,1077 8.43,1078 25.789,1079 3.787,1080 15.822,1081 19.431,1083 32.142,1084 15.409,1085 1.879,1086 5.984,1087 27.676,1088 3.306,1089 16.974,1090 20.881,1091 5.769,1092 34.593,1093 16.566,1094 1.879,1095 5.225,1096 29.568,1097 2.562,1098 18.117,1099 22.288,1101 37.035,1102 17.708,1103 7545,1104 16801,1105 18.729,1106 37.784,1107 46.817,1108 48.824,1109 48.761,1110 46.488,1111 45.653,1112 61.036,1113 2.873,1114 137.863,1115 39.937,1116 5.427,1117 5.694,1118 6.624,1119 5.256,1120 5.269,1121 7.31,1122 2.873,1123 19.152,1124 5.232,1125 18.851,1126 1.561,1127 1.627,1128 1.625,1129 1.55,1130 1.522,1131 2.035,1132 0.096,1133 4.595,1134 1.331,1135 4.048,1136 4.057,1137 10.701,1138 4.164,1139 7.475,1140 4.025,1141 3.836,1142 3.849,1143 10.696,1144 4.053,1145 7.427,1146 3.803,1147 3.788,1148 3.79,1149 10.693,1150 3.857,1151 6.468,1152 3.764,1153 3.279,1154 3.267,1155 10.692,1156 3.695,1157 6.351,1158 3.148,1159 3.195,1160 3.191,1161 3.97,1162 3.646,1163 4.768,1164 3.063,1165 3.007,1166 3.031,1167 3.71,1168 3.359,1169 4.564,1170 3.052,1171 2.863,1172 2.89,1173 3.576,1174 3.02,1175 4.413,1176 2.92,1177 2.8,1178 2.837,1179 3.226,1180 2.941,1181 3.816,1182 2.649,1183 0.155,1184 0.123,1185 0.232,1186 0.142,1187 0.109,1188 4.649,1189 0.144,1190 3.694,1191 0.048,1192 6.946,1193 0.392,1194 4.256,1195 0.108,1196 3.269,1197 4.31,1198 1.437,1199 11.76,1200 3.232,1201 2.016,1202 2.007,1203 2.058,1204 2.052,1205 1.254,1206 2.063,1207 1.827,1208 1.814,1209 1.872,1210 1.879,1211 1.032,1212 1.896,1213 1.764,1214 1.76,1215 1.736,1216 1.789,1217 0.961,1218 1.813,1219 1.154,1220 1.149,1221 1.253,1222 1.429,1223 0.371,1224 1.36,1225 1.105,1226 1.111,1227 1.177,1228 1.245,1229 0.297,1230 1.229,1231 1.02,1232 1.001,1233 1.068,1234 1.022,1235 0.227,1236 1.1,1237 0.877,1238 0.857,1239 0.973,1240 1.001,1241 0.173,1242 1.007,1243 0.768,1244 0.722,1245 0.963,1246 0.945,1247 0.017,1248 0.975,1249 4.111,1251 5.468,1253 7.024,1255 8.672,1257 10.367,1262 8.099,1264 19.865,1273 31.814,1274 63.763,1275 133.157,1276 163.911,1277 177.421,1278 181.421,1279 183.421,1280 71.816,1281 7.048,1282 74.6,1283 74.6,1284 18,1285 12.704,1286 4.17,1287 3.585,1288 48.893,1289 82,1290 88,1291 0.278,1292 234.56,1293 402.92,1294 564.086,1295 8320,1296 10.5,1297 20.585,1298 0.735,1299 0.803,1300 26.585,1301 22.472,1302 13.201,1303 0.44,1304 0.402,1305 7.956,1306 10.269,1307 7.518,1308 6.144,1309 16.665,1310 12.063,1311 12.524,1312 0.285,1313 0.237,1314 16.973,1315 10.432,1316 10.603,1317 0.18,1318 0.123,1319 15.172,1320 7.267,1321 8.289,1322 0.109,1323 0.083,1324 12.943,1325 6.316,1326 6.497,1327 0.066,1328 0.032,1329 8.488,1330 3.184,1331 0.411,1332 135.788,1333 0.231,1334 25.633,1335 0.85,1336 148,1337 484.365,1338 752.273,1339 636.769,1340 803.54,1341 582,1342 177,1343 453.571,1344 427.274,1345 523.576,1346 771.48,1347 491,1348 4.959}
{0 CHEMBL1160160,1 1.911,2 7.909,3 8.657,4 74.937,5 157.348,6 26.315,7 0.486,8 3.824,9 3.809,10 4.463,11 3.793,12 5.155,13 3.679,14 4.316,15 4.291,16 5.074,17 4.312,18 5.713,19 4.171,20 4.633,21 4.603,22 5.653,23 4.584,24 6.146,25 4.434,26 4.736,27 4.72,28 6.116,29 4.77,30 6.259,31 4.49,32 4.702,33 4.691,34 5.706,35 4.642,36 6.241,37 4.47,38 4.66,39 4.643,40 6.041,41 4.833,42 6.253,43 4.502,44 4.576,45 4.55,46 6.087,47 4.718,48 6.229,49 4.366,50 4.204,51 4.171,52 6.555,53 4.619,54 6.112,55 4.009,56 0.376,57 0.255,58 90.533,59 2.698,60 40.685,61 0.656,62 0.628,63 0.406,64 160.12,65 3.871,66 59.479,67 0.731,68 0.939,69 0.664,70 259.37,71 14.561,72 85.742,73 2.692,74 1.344,75 0.846,76 424.542,77 21.851,78 112.388,79 4.712,80 1.122,81 0.792,82 295.62,83 17.165,84 104.43,85 4.15,86 1.128,87 0.736,88 373.551,89 13.144,90 116.925,91 2.844,92 1.032,93 0.796,94 355.477,95 20.526,96 92.523,97 4.71,98 0.916,99 0.607,100 408.852,101 21.292,102 117.214,103 4.12,105 122,106 61,107 0.337,108 0.667,109 0.747,110 0.804,111 0.814,112 0.814,113 3.534,114 1.173,115 -6.39,116 -6.22,117 -5.78,120 54.1,130 1,140 2,141 4,142 12,153 1,165 3,167 1,168 7,176 7,182 7,187 6,190 17,194 1,195 6,198 2,200 2,203 13,207 13,215 15,219 1,220 2,223 2,225 4,227 15,231 6,236 6,239 6,245 1,248 2,249 1,250 2,253 11,263 6,266 4,270 1750,271 21.161,272 21.161,273 21.161,274 21.161,275 21.161,276 18.375,277 21.213,278 11.174,279 22.433,280 18.011,281 18.011,282 18.011,283 18.011,284 18.011,285 13.876,286 25.323,287 5.142,288 20.897,289 3.299,290 1.426,291 0.973,292 0.649,293 0.595,294 0.595,295 4.224,298 4,303 560,304 3.391,306 48.489,307 241.15,310 94.602,311 197.418,313 1.025,314 60.251,317 0.5,318 0.5,319 0.67,320 0.2,322 0.67,323 1,324 0.5,325 69.933,326 261,327 5.062,328 4.435,329 8.375,330 4.828,331 3.869,332 4.656,333 2.327,334 16.998,335 3.703,336 4.595,337 3.705,338 6.982,339 4.138,340 3.23,341 4.334,342 1.423,343 11.608,344 2.916,345 4.433,346 3.489,347 6.67,348 3.936,349 3.048,350 4.16,351 0.86,352 10.467,353 2.629,354 4.202,355 3.388,356 6.583,357 3.775,358 2.911,359 3.622,361 10.099,362 2.412,363 3.865,364 3.372,365 6.117,366 3.442,367 2.528,368 3.244,370 8.451,371 2.194,372 3.662,373 2.917,374 5.938,375 3.205,376 2.351,377 3.011,379 7.696,380 1.926,381 3.51,382 2.83,383 5.855,384 3.055,385 2.151,386 2.856,388 7.355,389 1.898,390 3.463,391 2.594,392 5.669,393 2.979,394 2.132,395 2.759,397 7.01,398 1.68,399 3.26,400 2.507,401 5.229,402 2.725,403 1.888,404 2.531,406 5.766,407 1.403,408 3.045,409 2.247,410 4.969,411 2.552,412 1.634,413 2.138,415 4.922,416 1.328,417 2.808,418 2.181,419 4.898,420 2.378,421 1.544,422 1.873,424 4.712,425 1.142,426 1.834,427 1.719,428 4.074,429 1.423,430 0.651,431 0.738,433 1.917,434 0.332,435 1.659,436 1.524,437 3.77,438 1.169,439 0.474,440 0.532,442 1.233,443 0.261,444 1.604,445 1.333,446 3.727,447 1.156,448 0.434,449 0.482,451 1.059,452 0.159,453 1.551,454 1.291,455 3.393,456 1.064,457 0.392,458 0.429,460 0.923,461 0.159,462 21.095,463 0.639,464 1.416,465 0.043,466 42.25,467 1.28,468 21,469 0.636,470 21.25,471 0.644,472 52.133,473 1.58,474 29.905,475 0.808,476 24.756,477 0.75,478 6.824,479 0.207,480 8.605,481 0.261,482 0.494,483 0.024,484 0.403,490 0.887,491 0.594,492 0.51,493 0.445,494 0.87,495 0.389,496 0.803,497 0.757,498 0.621,499 0.55,500 0.66,501 0.49,502 0.991,503 1.135,504 0.909,505 0.999,506 0.822,507 0.909,508 0.899,509 0.823,510 0.776,511 0.753,512 0.813,513 0.875,514 0.889,515 1.021,516 0.954,517 1.026,518 0.803,519 0.958,520 0.828,521 0.767,522 1.117,523 0.943,524 1.072,525 0.818,526 1.317,527 1.393,528 1.674,529 1.696,530 1.43,531 1.516,532 1.132,533 1.296,534 1.278,535 1.251,536 1.145,537 1.315,538 8.5,540 6.889,541 4.792,542 4.669,543 2.56,544 2.219,545 1.448,546 0.611,547 0.102,548 10874,549 62908,550 1.998,551 10.8,553 2,556 2,560 1.768,561 1.744,562 2.93,563 0.342,568 4,569 70.702,570 1.911,571 3.784,572 4.236,573 4.561,574 4.615,575 4.615,576 2.333,577 4.415,578 5.019,579 3.072,580 1621.81,581 8.88,582 21837.1,587 192.75,588 1.543,589 4.901,590 0.23,592 0.113,593 0.061,594 0.059,595 0.032,596 0.029,597 0.023,598 0.016,599 0.007,600 0.571,601 0.33,602 0.5,603 0.681,604 164.539,605 -0.148,606 0.124,607 0.009,608 0.044,609 -0.156,610 0.088,611 -0.037,612 -0.027,613 -0.023,614 0.011,615 -0.007,616 0.01,617 -0.087,618 -0.281,619 -0.093,620 -0.205,621 -0.028,622 -0.197,623 0.088,624 0.137,625 0.069,626 0.11,627 0.002,628 0.009,629 0.031,630 -0.094,631 -0.096,632 -0.169,633 0.039,634 -0.069,635 0.06,636 0.168,637 -0.072,638 0.079,639 -0.05,640 0.135,641 -0.268,642 -0.302,643 -0.257,644 -0.298,645 -0.254,646 -0.27,647 0.081,648 -0.062,649 0.392,650 0.418,651 0.241,652 0.183,653 2.87,654 6.255,655 0.667,656 23.971,657 1.068,658 1.059,659 5.159,660 26.616,661 1.106,662 3.638,663 4.127,664 4.564,665 4.949,666 5.347,667 5.642,668 5.9,669 6.122,670 6.28,671 6.326,672 5.126,673 0.954,674 973.64,675 3.638,676 5.283,677 6.232,678 7.207,679 8.182,680 9.166,681 10.151,682 11.141,683 12.13,684 13.123,699 2,704 16,706 18,712 1,717 2,718 1,719 8,720 37,723 19,724 3,725 37,727 41,728 20,729 18,730 16,731 2,732 1,735 5,736 9,737 4,746 1,749 19,750 1,751 1,754 1,759 1,763 1,768 4,769 5,770 2,771 13,772 8,773 4,780 0.2,781 5,788 1,789 4,792 1,793 2,813 1,818 4,820 4,821 33,827 2,830 2,835 1,839 8,840 13.5,842 2,843 1,845 2,847 18.917,848 7.21,849 6.875,850 2.052,851 3.677,852 1.42,853 1.027,854 6.988,855 12.436,856 3.871,857 4.63,858 5.312,859 5.952,860 6.607,861 7.077,862 7.543,863 8.033,864 8.483,865 8.819,866 1,867 78,868 12.358,870 5.856,871 8.061,872 22.46,874 19.571,877 2.561,878 84.508,882 23.542,883 297.142,885 156.595,886 132.511,888 227.128,889 70.014,890 312.648,894 18.952,895 117.703,896 65.87,898 250.67,899 156.595,900 23.542,901 70.014,902 132.511,903 156.595,904 227.128,905 23.542,906 132.511,910 70.014,911 156.595,912 227.128,913 23.542,914 132.511,915 226.609,916 227.128,918 23.542,919 51.061,920 246.081,922 289.106,923 23.542,924 132.511,925 226.609,926 227.128,927 0.627,928 0.41,929 0.22,930 0.132,931 35,932 19,935 3,936 1.318,937 3.708,938 375.485,939 0.273,940 23,941 148.465,945 25.865,946 8.916,947 3.501,949 132.511,950 3.302,955 3.151,957 85.367,958 609.79,959 47,964 13.255,968 -0.745,969 39.509,970 39.197,971 0.367,972 0.726,973 0.813,974 0.875,975 0.886,976 0.886,977 5.223,978 2.132,979 6.33,980 7.355,981 4.812,982 5.318,983 2.665,984 7.361,985 4.533,986 6.533,987 1.888,988 8.045,989 7.01,990 4.844,991 5.533,992 2.307,993 8.807,994 4.411,995 7.938,996 1.634,997 9.864,998 5.766,999 6.658,1000 7.676,1001 3.828,1002 12.049,1003 6.255,1004 9.377,1005 1.544,1006 11.745,1007 4.922,1008 7.456,1009 8.614,1010 4.046,1011 14.373,1012 6.945,1013 10.845,1014 0.651,1015 13.67,1016 4.712,1017 8.869,1018 10.335,1019 5.3,1020 17.271,1021 8.378,1022 12.334,1023 0.474,1024 15.629,1025 1.917,1026 9.977,1027 11.579,1028 5.791,1029 19.936,1030 9.43,1031 13.841,1032 0.434,1033 17.616,1034 1.233,1035 11.293,1036 13.159,1037 6.884,1038 22.768,1039 10.745,1040 3.869,1041 0.392,1042 19.626,1043 1.059,1044 12.527,1045 14.541,1046 7.525,1047 25.546,1048 11.947,1049 3.23,1050 16.998,1051 21.657,1052 0.923,1053 13.831,1054 16.071,1055 8.518,1056 28.371,1057 13.238,1058 3.048,1059 11.608,1060 23.705,1061 4.656,1062 15.119,1063 17.517,1064 9.245,1065 31.186,1066 14.5,1067 2.911,1068 10.467,1069 25.767,1070 4.334,1071 16.433,1072 19.03,1073 10.177,1074 34.013,1075 15.792,1076 2.528,1077 10.099,1078 27.841,1079 4.16,1080 17.747,1081 20.509,1082 10.953,1083 36.84,1084 17.079,1085 2.351,1086 8.451,1087 29.925,1088 3.622,1089 19.072,1090 22.017,1091 11.849,1092 39.67,1093 18.376,1094 2.151,1095 7.696,1096 32.017,1097 3.244,1098 20.401,1099 23.512,1100 12.654,1101 42.5,1102 19.674,1103 10631,1104 25624,1105 22.835,1106 40.909,1107 59.398,1108 63.935,1109 65.576,1110 59.537,1111 59.14,1112 75.468,1113 9.22,1114 201.995,1115 48.497,1116 5.957,1117 6.435,1118 7.282,1119 5.936,1120 5.869,1121 7.656,1122 4.101,1123 25.826,1124 5.703,1125 23.894,1126 1.605,1127 1.728,1128 1.772,1129 1.609,1130 1.598,1131 2.04,1132 0.249,1133 5.459,1134 1.311,1135 4.126,1136 4.117,1137 10.701,1138 4.2,1139 7.433,1140 4.089,1141 3.877,1142 3.865,1143 10.696,1144 4.058,1145 6.471,1146 3.85,1147 3.774,1148 3.773,1149 10.692,1150 3.931,1151 6.465,1152 3.778,1153 3.352,1154 3.319,1155 10.692,1156 3.655,1157 5.139,1158 3.248,1159 3.11,1160 3.086,1161 4.288,1162 3.636,1163 4.87,1164 3.023,1165 2.989,1166 2.98,1167 3.923,1168 3.404,1169 4.71,1170 2.981,1171 2.843,1172 2.861,1173 3.7,1174 3.063,1175 4.543,1176 2.872,1177 2.841,1178 2.827,1179 3.557,1180 2.939,1181 4.381,1182 2.767,1183 0.137,1184 0.12,1185 0.226,1186 0.13,1187 0.105,1188 5.062,1189 0.126,1190 4.435,1191 0.063,1192 8.375,1193 0.459,1194 4.828,1195 0.1,1196 3.869,1197 4.656,1198 2.327,1199 16.998,1200 3.703,1201 2.013,1202 2.017,1203 1.98,1204 2.049,1205 1.309,1206 2.049,1207 1.819,1208 1.829,1209 1.741,1210 1.846,1211 1.031,1212 1.848,1213 1.756,1214 1.756,1215 1.694,1216 1.758,1217 0.995,1218 1.784,1219 1.203,1220 1.226,1221 1.152,1222 1.424,1223 0.418,1224 1.35,1225 1.022,1226 1.044,1227 0.958,1228 1.179,1229 0.144,1230 1.136,1231 0.924,1232 0.93,1233 0.909,1234 1.008,1235 0.078,1236 1.016,1237 0.809,1238 0.796,1239 0.898,1240 1.005,1241 0.046,1242 0.987,1243 0.716,1244 0.735,1245 0.674,1246 0.831,1248 0.829,1249 4.317,1251 5.765,1252 2.398,1253 7.425,1254 4.949,1255 9.189,1256 7.273,1257 11.014,1260 25.819,1262 7.85,1264 21.19,1267 12.307,1272 -1.62,1273 35.312,1274 70.702,1275 139.995,1276 156.75,1277 168.75,1278 170.75,1279 170.75,1280 95.184,1281 8.759,1282 75.99,1283 75.99,1284 29,1285 13.587,1286 4.322,1287 3.459,1288 46.997,1289 96,1290 102,1291 0.239,1292 260.028,1293 439.57,1294 626.229,1295 72182,1296 21.6,1297 24.143,1298 0.732,1299 0.817,1300 32.143,1301 26.951,1302 15.428,1303 0.417,1304 0.391,1305 8.921,1306 11.395,1307 8.391,1308 6.684,1309 20.047,1310 14.461,1311 15.472,1312 0.254,1313 0.213,1314 21.03,1315 12.968,1316 15.044,1317 0.158,1318 0.113,1319 22.39,1320 10.778,1321 12.372,1322 0.088,1323 0.061,1324 18.453,1325 8.566,1326 10.945,1327 0.052,1328 0.027,1329 15.251,1330 5.555,1331 0.345,1332 162.852,1333 0.209,1334 28.583,1335 0.77,1336 196,1337 682.914,1338 869.326,1339 934.165,1340 1184.14,1341 856,1342 254,1343 664.931,1344 605.473,1345 766.2,1346 1171.41,1347 720,1348 4.301}
{0 CHEMBL124855,1 1.741,2 9.679,3 4.445,4 19.756,5 107.288,6 9.391,7 0.71,8 3.888,9 3.943,10 3.783,11 3.531,12 5.159,13 3.518,14 4.335,15 4.401,16 4.064,17 3.904,18 5.95,19 3.894,20 4.601,21 4.725,22 4.182,23 4.04,24 5.96,25 4.014,26 4.661,27 4.8,28 4.206,29 3.97,30 6.072,31 3.957,32 4.633,33 4.774,34 4.091,35 3.824,36 6.251,37 3.836,38 4.503,39 4.658,40 3.812,41 3.672,42 5.971,43 3.673,44 4.328,45 4.473,46 3.777,47 3.687,48 5.795,49 3.665,50 4.339,51 4.462,52 3.776,53 3.773,54 5.645,55 3.72,56 0.21,57 0.57,58 7.956,59 4.189,60 39.638,61 3.393,62 0.441,63 0.858,64 9.376,65 6.101,66 87.138,67 5.958,68 0.47,69 1.162,70 16.018,71 8.264,72 70.447,73 8.352,74 0.581,75 1.275,76 18.919,77 8.422,78 84.405,79 7.889,80 0.836,81 1.221,82 21.556,83 7.988,84 130.484,85 6.993,86 0.781,87 1.016,88 18.824,89 6.88,90 118.902,91 5.961,92 0.562,93 0.829,94 13.314,95 6.12,96 83.425,97 6.492,98 0.365,99 0.821,100 11.548,101 6.618,102 56.274,103 6.582,105 27,106 46,107 0.296,108 0.517,109 0.627,110 0.756,111 0.844,112 0.9,113 3.375,114 0.934,115 -3.81,116 -3.77,117 -3.58,120 47.6,140 11,141 4,142 5,161 1,162 2,164 1,165 14,167 1,168 2,171 2,173 2,176 16,177 2,182 12,185 2,187 5,190 12,191 2,195 15,198 2,200 6,201 1,203 5,204 2,207 11,208 1,210 2,211 1,212 6,215 3,216 1,219 2,220 4,221 1,223 1,225 5,227 6,230 2,234 1,235 1,236 6,239 14,250 5,253 17,254 1,258 2,263 3,264 1,266 12,267 3,270 1134,271 18.524,272 18.524,273 18.524,274 18.524,275 18.524,276 15.446,277 11.379,278 10.654,279 18.8,280 15.293,281 15.293,282 15.293,283 15.293,284 15.293,285 10.628,286 7.869,287 5.013,288 15.778,289 3.651,290 2.354,291 1.706,292 0.943,293 0.429,294 0.095,295 4.068,301 1,302 1,303 587,304 3.536,307 260.738,311 222.976,313 1.296,314 46.83,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 62,326 271,327 4.908,328 5.175,329 7.312,330 4.379,331 3.443,332 4.864,333 2.925,334 12.608,335 3.226,336 4.575,337 3.263,338 6.673,339 4.106,340 3.124,341 4.509,343 10.723,344 3.069,345 4.447,346 3.19,347 6.595,348 3.929,349 2.966,350 4.281,352 10.33,353 2.82,354 3.793,355 2.624,356 5.705,357 3.325,358 2.35,359 3.305,361 7.402,362 2.284,363 3.709,364 2.462,365 5.606,366 3.261,367 2.291,368 3.191,370 7.171,371 2.216,372 3.32,373 2.334,374 4.982,375 2.81,376 1.83,377 2.668,379 5.504,380 1.791,381 3.229,382 1.917,383 4.659,384 2.743,385 1.756,386 2.56,388 4.789,389 1.731,390 2.918,391 1.631,392 3.93,393 2.423,394 1.435,395 2.102,397 3.229,398 1.416,399 2.898,400 1.459,401 3.816,402 2.408,403 1.416,404 2.087,406 3.05,407 1.403,408 2.771,409 1.334,410 3.685,411 2.182,412 1.201,413 1.782,415 2.891,416 1.176,417 2.384,418 1.251,419 3.603,420 1.902,421 0.913,422 1.32,424 2.355,425 0.901,426 2.218,427 0.931,428 3.483,429 1.68,430 0.703,431 1.027,433 1.747,434 0.683,435 1.591,436 0.632,437 3.052,438 1.232,439 0.304,440 0.37,442 0.764,443 0.279,444 1.286,445 0.449,446 2.707,447 0.779,448 -0.178,449 -0.25,451 -0.425,452 -0.168,453 1.008,454 0.032,455 2.596,456 0.537,457 -0.444,458 -0.622,460 -1.127,461 -0.432,462 13.3,463 0.475,464 0.899,465 0.032,466 43.75,467 1.563,468 26.5,469 0.946,470 17.25,471 0.616,472 17.977,473 0.642,474 28.7,475 0.683,476 35.404,477 1.264,478 8.55,479 0.305,480 4.809,481 0.172,482 0.125,483 0.063,484 0.338,490 0.711,491 0.857,492 0.774,493 1.013,494 0.902,495 0.732,496 0.484,497 1.068,498 0.732,499 0.954,500 0.451,501 0.912,502 0.765,503 1.153,504 0.822,505 0.969,506 0.744,507 0.952,508 0.985,509 1.292,510 0.949,511 1.088,512 0.938,513 1.028,514 1.176,515 1.19,516 1.137,517 1.088,518 1.023,519 0.993,520 1.489,521 0.795,522 1.066,523 0.764,524 1.474,525 0.891,526 0.805,527 0.644,528 0.694,529 0.666,530 0.787,531 0.806,532 0.936,533 0.912,534 0.903,535 0.963,536 0.854,537 1.107,538 6,539 0.169,540 4.222,541 2.688,542 2.244,543 1.069,544 0.77,545 0.413,546 0.337,547 0.315,548 9055,549 31378,550 2.064,551 33.3,553 11,556 3,560 1.714,561 1.898,562 3.241,563 0.953,565 1,569 73.126,570 1.741,571 3.038,572 3.686,573 4.449,574 4.964,575 5.297,576 2.61,577 4.209,578 4.785,579 3.412,580 1289.8,581 8.337,582 16515.1,584 1,586 1,587 226.477,588 1.656,589 4.716,590 0.194,591 0.008,592 0.092,593 0.054,594 0.048,595 0.025,596 0.023,597 0.012,598 0.01,599 0.012,600 0.478,601 0.5,602 1,603 0.787,604 138.219,605 0.002,606 0.17,607 0.164,608 0.042,609 -0.234,610 0.109,611 0.255,612 -0.096,613 -0.025,614 -0.06,615 0.307,616 -0.083,617 -0.003,618 -0.15,619 0.019,620 -0.048,621 -0.015,622 -0.032,623 -0.068,624 -0.218,625 -0.002,626 -0.151,627 -0.075,628 -0.118,629 -0.017,630 -0.103,631 -0.117,632 -0.136,633 0.092,634 -0.089,635 -0.242,636 0.219,637 -0.16,638 0.118,639 -0.244,640 0.037,641 0.124,642 0.3,643 0.08,644 0.194,645 0.089,646 0.152,647 -0.125,648 -0.024,649 -0.119,650 -0.052,651 -0.102,652 -0.147,653 5.46,654 4.638,655 0.714,656 21.5,657 1.029,658 1.106,659 2.579,660 6.65,661 0.726,662 3.466,663 3.85,664 4.143,665 4.443,666 4.718,667 4.762,668 4.875,669 4.913,670 5.037,671 5.1,672 5.972,673 0.713,674 394.43,675 3.466,676 5.043,677 5.916,678 6.83,679 7.724,680 8.638,681 9.539,682 10.453,683 11.357,684 12.27,685 4.8,697 2,698 4,699 11,704 5,706 22,717 2,720 42,723 25,724 4,725 31,727 45,728 20,729 20,730 9,731 11,735 4,736 6,749 20,754 3,757 1,759 2,762 2,765 1,768 14,769 7,770 3,771 8,772 1,775 2,779 1,780 0.5,781 5,789 4,793 2,811 1,813 2,815 1,821 28,825 1,827 3,840 11.9,841 1,842 2,843 2,847 14.75,848 7.417,849 5.944,850 2.253,851 5.32,852 1.685,853 0.978,854 4.418,855 13.083,856 3.829,857 4.564,858 5.214,859 5.901,860 6.548,861 6.911,862 7.389,863 7.782,864 8.243,865 8.569,866 1,867 50,868 10.837,870 5.288,871 8.211,872 18.929,874 15.967,877 2.711,878 75.917,881 1,882 129.482,883 122.934,884 33.326,886 168.776,888 1.339,889 121.595,890 298.258,891 33.326,894 144.674,895 129.68,896 17.356,897 33.326,898 129.482,900 129.482,901 154.921,902 168.776,903 1.339,905 129.482,906 129.68,907 39.096,910 121.595,911 34.665,913 129.482,914 202.102,915 122.934,917 1.339,918 129.482,919 17.356,920 104.239,922 202.102,923 129.482,924 202.102,925 122.934,927 0.598,928 0.352,929 0.196,930 0.114,931 24,932 11,933 0.067,934 3,935 2,936 1.2,937 3.787,938 257.091,939 0.2,940 20,941 132.606,944 1,945 18.231,946 6.786,947 3.296,948 2.007,949 202.102,950 17.762,955 -0.723,957 124.463,958 454.518,959 45,962 -4.544,964 23.276,967 8.187,969 43.218,970 46.455,971 0.323,972 0.563,973 0.684,974 0.825,975 0.921,976 0.982,977 5.078,978 1.435,979 5.958,980 4.789,981 4.533,982 5.252,983 2.896,984 6.862,985 4.468,986 6.367,987 1.416,988 7.583,989 3.229,990 4.369,991 5.4,993 8.095,994 4.222,995 7.744,996 1.201,997 9.321,998 3.05,999 6.256,1000 7.697,1001 4.993,1002 11.175,1003 6.107,1004 9.165,1005 0.913,1006 11.126,1007 2.891,1008 6.889,1009 8.642,1011 13.189,1012 6.645,1013 10.62,1014 0.703,1015 12.972,1016 2.355,1017 8.316,1018 10.464,1019 7.133,1020 15.862,1021 8.063,1022 12.098,1023 0.304,1024 14.845,1025 1.747,1026 9.282,1027 11.752,1029 18.165,1030 8.941,1031 13.595,1032 -0.178,1033 16.738,1034 0.764,1035 10.552,1036 13.4,1037 9.279,1038 20.716,1039 10.185,1040 3.443,1041 -0.444,1042 18.645,1043 -0.425,1044 11.656,1045 14.836,1047 23.135,1048 11.213,1049 3.124,1050 12.608,1051 20.563,1052 -1.127,1053 12.876,1054 16.42,1055 11.426,1056 25.651,1057 12.391,1058 2.966,1059 10.723,1060 22.49,1061 4.864,1062 14.038,1063 17.921,1065 28.121,1066 13.484,1067 2.35,1068 10.33,1069 24.424,1070 4.509,1071 15.244,1072 19.482,1073 13.572,1074 30.63,1075 14.64,1076 2.291,1077 7.402,1078 26.364,1079 4.281,1080 16.432,1081 21.013,1083 33.125,1084 15.762,1085 1.83,1086 7.171,1087 28.309,1088 3.305,1089 17.638,1090 22.568,1091 15.719,1092 35.636,1093 16.911,1094 1.756,1095 5.504,1096 30.258,1097 3.191,1098 18.839,1099 24.113,1101 38.144,1102 18.048,1103 8669,1104 16336,1105 20.285,1106 30.5,1107 47.78,1108 49.743,1109 49.042,1110 47.517,1111 47.46,1112 68.13,1113 5.85,1114 145.129,1115 45.991,1116 5.548,1117 7.175,1118 6.996,1119 5.406,1120 5.443,1121 7.864,1122 5.85,1123 20.487,1124 5.226,1125 14.938,1126 1.541,1127 1.605,1128 1.582,1129 1.533,1130 1.531,1131 2.198,1132 0.189,1133 4.682,1134 1.484,1135 4.166,1136 4.163,1137 4.729,1138 4.142,1139 7.762,1140 4.106,1141 4.069,1142 4.079,1143 4.058,1144 4.03,1145 6.999,1146 4.023,1147 3.762,1148 3.699,1149 3.951,1150 3.708,1151 6.473,1152 3.606,1153 3.515,1154 3.553,1155 3.452,1156 3.396,1157 6.466,1158 3.399,1159 3.438,1160 3.458,1161 3.371,1162 3.322,1163 6.312,1164 3.318,1165 3.136,1166 3.184,1167 3.08,1168 2.993,1169 4.996,1170 2.996,1171 2.947,1172 2.989,1173 2.865,1174 2.834,1175 4.808,1176 2.82,1177 2.791,1178 2.851,1179 2.688,1180 2.594,1181 4.643,1182 2.601,1183 0.158,1184 0.167,1185 0.236,1186 0.141,1187 0.111,1188 4.908,1189 0.157,1190 5.175,1191 0.094,1192 7.312,1193 0.407,1194 4.379,1195 0.104,1196 3.443,1197 4.864,1198 2.925,1199 12.608,1200 3.226,1201 2.095,1202 2.094,1203 2.141,1204 2.154,1205 1.322,1206 2.161,1207 2.057,1208 2.043,1209 2.114,1210 2.11,1211 1.273,1212 2.12,1213 1.574,1214 1.616,1215 1.635,1216 1.696,1217 0.737,1218 1.738,1219 1.479,1220 1.448,1221 1.604,1222 1.632,1223 0.665,1224 1.628,1225 1.349,1226 1.354,1227 1.286,1228 1.535,1229 0.438,1230 1.529,1231 1.083,1232 1.044,1233 1.218,1234 1.276,1235 0.327,1236 1.265,1237 0.915,1238 0.885,1239 0.965,1240 1.102,1241 0.109,1242 1.12,1243 0.718,1244 0.669,1245 0.932,1246 1.001,1247 0.019,1248 0.984,1249 4.143,1251 5.509,1253 7.083,1255 8.754,1257 10.477,1264 29.952,1273 29.965,1274 73.126,1275 127.615,1276 154.814,1277 186.868,1278 208.477,1279 222.477,1280 64.216,1281 7.763,1282 119.55,1283 127.93,1284 24,1285 12.785,1286 4.7,1287 3.907,1288 42.277,1289 101,1290 88,1291 0.207,1292 185.543,1293 316.94,1294 444.485,1295 25767,1297 19.889,1298 0.71,1299 0.54,1300 20.139,1301 15.128,1302 13.359,1303 0.431,1304 0.311,1305 8.234,1306 12.191,1307 7.969,1308 6.585,1309 14.254,1310 9.647,1311 12.966,1312 0.282,1313 0.163,1314 14.334,1315 7.507,1316 10.485,1317 0.169,1318 0.085,1319 11.208,1320 5.259,1321 9.041,1322 0.108,1323 0.045,1324 9.735,1325 3.796,1326 7.849,1327 0.071,1328 0.024,1329 8.572,1330 2.675,1331 0.318,1332 92.661,1333 0.222,1334 26.186,1335 0.588,1336 154,1337 514.071,1338 201.818,1339 522.623,1340 701.83,1341 476,1342 185,1343 490.909,1344 241.225,1345 536.4,1346 782.08,1347 502,1348 4.602}
{0 CHEMBL129879,1 1.951,2 10.724,3 4.308,4 18.562,5 114.337,6 10.534,7 0.516,8 3.931,9 3.97,10 4.046,11 3.649,12 5.074,13 3.566,14 4.472,15 4.553,16 4.382,17 4.04,18 6.044,19 3.954,20 4.644,21 4.719,22 4.503,23 4.172,24 6.046,25 4.079,26 4.76,27 4.848,28 4.477,29 4.192,30 6.192,31 4.079,32 4.798,33 4.916,34 4.552,35 4.121,36 6.193,37 4.028,38 4.804,39 4.933,40 4.426,41 4.018,42 6.616,43 3.931,44 4.582,45 4.707,46 4.247,47 3.896,48 6.004,49 3.803,50 4.479,51 4.592,52 3.959,53 3.826,54 6.059,55 3.724,56 0.191,57 0.628,58 7.278,59 5.137,60 36.541,61 4.179,62 0.721,63 1.019,64 21.03,65 9.405,66 108.266,67 8.063,68 0.655,69 1.212,70 19.924,71 10.448,72 100.943,73 8.345,74 0.813,75 1.399,76 34.361,77 13.647,78 113.162,79 10.041,80 0.963,81 1.398,82 34.494,83 13.305,84 163.891,85 9.581,86 1.565,87 1.309,88 40.962,89 13.201,90 285.78,91 10.976,92 0.955,93 1.079,94 29.547,95 10.872,96 150.598,97 8.141,98 0.845,99 0.974,100 21.013,101 9.091,102 135.716,103 8.032,105 87,106 48,107 0.33,108 0.676,109 0.803,110 0.861,111 0.861,112 0.861,113 3.409,114 1.224,115 -4.06,116 -4.01,117 -3.79,120 40,121 1,125 2,140 6,141 3,142 3,147 1,148 1,153 1,165 7,167 3,168 2,171 2,173 1,176 11,182 10,187 4,190 10,195 12,198 2,200 3,203 3,207 10,212 2,215 5,219 8,220 4,223 2,225 1,227 6,231 6,236 1,239 8,244 4,245 4,253 7,258 8,266 5,270 1268,271 18.245,272 18.245,273 18.245,274 18.245,275 18.245,276 15.631,277 13.594,278 10.088,279 19.084,280 15.182,281 15.182,282 15.182,283 15.182,284 15.182,285 10.945,286 7.963,287 4.691,288 16.559,289 3.541,290 1.501,291 0.751,292 0.406,293 0.406,294 0.406,295 4.075,298 1,301 1,302 1,303 649,304 4.583,306 65.241,307 187.588,310 127.364,313 1.477,314 60.186,317 1,318 0.83,319 1,320 0.4,322 0.83,323 1,324 0.72,325 64.833,326 311,327 4.952,328 5.19,329 7.45,330 4.413,331 3.51,332 4.87,333 2.95,334 13.119,335 3.164,336 4.836,337 4.713,338 7.245,339 4.247,340 3.364,341 4.709,342 1.674,343 12.241,344 2.988,345 4.441,346 3.649,347 6.494,348 3.899,349 2.944,350 4.311,352 10.063,353 2.787,354 4.136,355 3.131,356 6.021,357 3.726,358 2.746,359 3.696,361 8.547,362 2.636,363 3.698,364 2.878,365 5.587,366 3.231,367 2.296,368 3.096,370 7.205,371 2.135,372 3.608,373 2.721,374 5.245,375 3.088,376 2.173,377 3.008,379 6.143,380 1.95,381 3.287,382 2.054,383 4.954,384 2.769,385 1.846,386 2.624,388 5.592,389 1.622,390 2.891,391 1.98,392 4.678,393 2.399,394 1.455,395 2.03,397 4.379,398 1.355,399 2.825,400 1.905,401 4.219,402 2.266,403 1.337,404 1.881,406 3.617,407 1.22,408 2.66,409 1.461,410 4.034,411 2.135,412 1.153,413 1.712,415 3.115,416 1.126,417 2.187,418 1.433,419 3.583,420 1.664,421 0.759,422 1.057,424 1.9,425 0.662,426 1.507,427 0.963,428 3.235,429 1.205,430 0.301,431 0.343,433 0.545,434 0.268,435 1.396,436 0.758,437 2.888,438 0.975,439 0.011,440 0.014,442 0.022,443 0.01,444 1.17,445 0.568,446 2.692,447 0.694,448 -0.151,449 -0.19,451 -0.361,452 -0.11,453 1,454 0.224,455 2.571,456 0.211,457 -0.764,458 -0.948,460 -2.041,461 -0.576,462 14.614,463 0.504,464 1.236,465 0.043,466 39.75,467 1.371,468 22,469 0.759,470 17.75,471 0.612,472 25.702,473 0.886,474 31.586,475 0.702,476 34.004,477 1.173,478 7.398,479 0.255,480 6.038,481 0.208,482 0.266,483 0.114,484 0.308,490 0.504,491 1.144,492 0.755,493 1.133,494 0.661,495 0.841,496 0.642,497 0.832,498 0.784,499 0.782,500 0.536,501 0.685,502 1.051,503 1.154,504 1.029,505 1.062,506 1.083,507 0.989,508 1.154,509 1.316,510 1.314,511 1.317,512 1.111,513 1.184,514 1.266,515 1.142,516 0.992,517 1.117,518 1.418,519 1.004,520 0.955,521 0.846,522 0.9,523 0.836,524 1.04,525 0.903,526 1.176,527 0.894,528 1.036,529 1.047,530 1.247,531 0.945,532 0.835,533 1.031,534 1.075,535 1.078,536 0.884,537 1.192,538 9.5,539 0.245,540 5.111,541 3.319,542 2.654,543 1.851,544 1.009,545 0.581,546 0.427,547 0.261,548 9168,549 38510,550 1.919,551 35.6,552 3,553 12,556 1,560 1.724,561 1.706,562 3.35,563 -0.2,565 1,569 87.81,570 1.951,571 3.991,572 4.741,573 5.086,574 5.086,575 5.086,576 2.802,577 4.349,578 4.83,579 3.503,580 1422.07,581 8.436,582 18559.9,587 247.133,588 1.838,589 4.716,590 0.306,591 0.012,592 0.106,593 0.066,594 0.054,595 0.041,596 0.023,597 0.017,598 0.013,599 0.01,600 0.649,601 0.33,602 0.88,603 1.125,604 145.078,605 0.079,606 -0.053,607 0.146,608 -0.07,609 -0.144,610 0.043,611 0.203,612 0.208,613 0.096,614 0.21,615 0.254,616 0.223,617 -0.183,618 -0.121,619 -0.082,620 -0.055,621 -0.154,622 -0.09,623 -0.205,624 -0.23,625 -0.271,626 -0.207,627 -0.116,628 -0.255,629 -0.207,630 -0.091,631 0.025,632 -0.061,633 -0.251,634 -0.049,635 0.277,636 0.13,637 0.056,638 0.122,639 0.314,640 0.051,641 -0.1,642 0.1,643 -0.015,644 -0.006,645 -0.147,646 0.04,647 0.112,648 -0.061,649 -0.232,650 -0.153,651 0.111,652 -0.255,653 5.012,654 6.011,655 0.517,656 25.351,657 1.037,658 1.106,659 2.827,660 7.994,661 0.747,662 3.466,663 3.892,664 4.127,665 4.394,666 4.625,667 4.745,668 4.796,669 4.86,670 4.771,671 4.804,672 6.196,673 0.709,674 474.01,675 3.466,676 5.069,677 5.932,678 6.86,679 7.749,680 8.677,681 9.576,682 10.505,683 11.409,684 12.338,685 2.2,690 1,698 2,699 6,703 1,704 6,706 16,712 1,719 1,720 45,723 21,724 2,725 31,727 47,728 18,729 14,730 6,731 6,732 1,735 3,736 4,737 1,741 1,749 15,750 3,754 5,757 2,759 5,763 1,765 1,768 16,769 7,770 1,771 11,772 4,775 1,780 0.667,781 6,788 1,789 2,792 1,813 2,815 3,817 3,818 1,821 29,823 1,824 1,829 1,830 1,837 1,839 1,840 13.3,843 5,845 1,847 17,848 9.143,849 6.097,850 2.286,851 3.34,852 1.453,853 0.993,854 5.983,855 10.719,856 3.807,857 4.551,858 5.081,859 5.696,860 6.26,861 6.65,862 6.959,863 7.29,864 7.299,865 7.546,866 1,867 50,868 11.395,870 5.639,871 8.32,872 19.713,874 16.627,877 2.82,878 81.778,882 176.567,883 151.577,884 16.405,885 39.149,886 124.771,888 43.131,889 108.445,890 340.486,891 16.405,892 26.899,894 68.711,895 137.367,896 27.752,897 0.746,898 207.844,899 39.149,900 176.567,901 124.85,902 124.771,903 82.28,905 176.567,906 124.771,909 8.825,910 99.62,911 67.407,912 31.278,913 176.567,914 141.176,915 190.725,917 11.853,918 176.567,919 55.967,920 83.756,921 16.405,922 163.919,923 176.567,924 141.176,925 190.725,927 0.613,928 0.349,929 0.175,930 0.1,931 24,932 13,933 0.128,934 6,935 1,936 1.133,937 3.715,938 262.906,939 0.133,940 15,941 136.881,942 1,944 2,945 22.033,946 7.875,947 4.431,948 1.434,949 141.176,950 8.652,954 1.051,955 0.538,957 16.405,958 508.467,959 44,962 -7.937,964 62.11,968 -0.735,969 46.687,970 49.78,971 0.355,972 0.727,973 0.863,974 0.926,975 0.926,976 0.926,977 5.094,978 1.455,979 6.033,980 5.592,981 4.575,982 5.239,983 3.179,984 6.973,985 4.411,986 6.417,987 1.337,988 7.695,989 4.379,990 4.635,991 5.629,993 8.361,994 4.341,995 7.834,996 1.153,997 9.468,998 3.617,999 6.385,1000 7.728,1001 5.125,1002 11.396,1003 6.048,1004 9.29,1005 0.759,1006 11.304,1007 3.115,1008 7.163,1009 8.835,1011 13.518,1012 6.681,1013 10.775,1014 0.301,1015 13.181,1016 1.9,1017 8.532,1018 10.552,1019 7.218,1020 16.201,1021 7.995,1022 12.281,1023 0.011,1024 15.084,1025 0.545,1026 9.582,1027 11.928,1029 18.587,1030 8.904,1031 13.802,1032 -0.151,1033 17.006,1034 0.022,1035 10.841,1036 13.532,1037 9.358,1038 21.171,1039 10.086,1040 3.51,1041 -0.764,1042 18.944,1043 -0.361,1044 11.996,1045 15.013,1047 23.655,1048 11.109,1049 3.364,1050 13.119,1051 20.892,1052 -2.041,1053 13.226,1054 16.582,1055 11.515,1056 26.212,1057 12.246,1058 2.944,1059 12.241,1060 22.85,1061 4.87,1062 14.424,1063 18.107,1065 28.735,1066 13.32,1067 2.746,1068 10.063,1069 24.814,1070 4.709,1071 15.649,1072 19.667,1073 13.676,1074 31.287,1075 14.442,1076 2.296,1077 8.547,1078 26.784,1079 4.311,1080 16.866,1081 21.211,1083 33.827,1084 15.541,1085 2.173,1086 7.205,1087 28.759,1088 3.696,1089 18.094,1090 22.77,1091 15.839,1092 36.379,1093 16.66,1094 1.846,1095 6.143,1096 30.738,1097 3.096,1098 19.321,1099 24.324,1101 38.928,1102 17.772,1103 9193,1104 19001,1105 18.898,1106 33.625,1107 47.992,1108 52.71,1109 51.169,1110 48.047,1111 47.792,1112 66.704,1113 9.249,1114 152.977,1115 43.846,1116 5.805,1117 7.19,1118 6.994,1119 5.59,1120 5.51,1121 7.87,1122 5.9,1123 21.248,1124 5.164,1125 20.48,1126 1.548,1127 1.7,1128 1.651,1129 1.55,1130 1.542,1131 2.152,1132 0.298,1133 4.935,1134 1.414,1135 4.181,1136 4.157,1137 4.809,1138 4.221,1139 7.72,1140 4.129,1141 4.061,1142 4.038,1143 4.72,1144 4.084,1145 7.712,1146 3.992,1147 3.797,1148 3.749,1149 4.197,1150 3.769,1151 7.433,1152 3.657,1153 3.689,1154 3.666,1155 3.782,1156 3.614,1157 6.999,1158 3.554,1159 3.374,1160 3.409,1161 3.741,1162 3.256,1163 6.999,1164 3.216,1165 3.304,1166 3.341,1167 3.278,1168 3.065,1169 4.971,1170 3.085,1171 2.995,1172 3.037,1173 3.087,1174 2.982,1175 4.676,1176 2.896,1177 2.95,1178 2.969,1179 2.915,1180 2.765,1181 4.511,1182 2.751,1183 0.16,1184 0.167,1185 0.24,1186 0.142,1187 0.113,1188 4.952,1189 0.157,1190 5.19,1191 0.095,1192 7.45,1193 0.423,1194 4.413,1195 0.102,1196 3.51,1197 4.87,1198 2.95,1199 13.119,1200 3.164,1201 1.995,1202 2.013,1203 1.984,1204 2.057,1205 1.247,1206 2.096,1207 1.925,1208 1.914,1209 1.974,1210 1.966,1211 1.172,1212 1.987,1213 1.726,1214 1.785,1215 1.675,1216 1.777,1217 0.99,1218 1.856,1219 1.568,1220 1.59,1221 1.606,1222 1.719,1223 0.834,1224 1.753,1225 1.308,1226 1.277,1227 1.574,1228 1.565,1229 0.598,1230 1.58,1231 1.221,1232 1.18,1233 1.243,1234 1.467,1235 0.57,1236 1.512,1237 0.971,1238 0.962,1239 1.142,1240 1.157,1241 0.249,1242 1.156,1243 0.89,1244 0.862,1245 1.091,1246 1.034,1247 0.205,1248 1.083,1249 4.143,1251 5.541,1252 2.398,1253 7.117,1254 4.844,1255 8.773,1256 7.05,1257 10.472,1259 3.741,1260 6.002,1266 2.329,1267 4.592,1273 31.913,1274 87.81,1275 179.585,1276 213.359,1277 228.869,1278 228.869,1279 228.869,1280 97.27,1281 7.38,1282 106.61,1283 151.61,1284 17,1285 12.845,1286 4.459,1287 3.807,1288 52.276,1289 108,1290 111,1291 0.242,1292 210.331,1293 363.54,1294 504.967,1295 14620,1296 2.2,1297 21.56,1298 0.743,1299 0.646,1300 22.914,1301 18.722,1302 13.436,1303 0.433,1304 0.408,1305 8.349,1306 10.775,1307 7.627,1308 6.337,1309 15.848,1310 12.646,1311 13.927,1312 0.29,1313 0.241,1314 17.637,1315 11.586,1316 10.564,1317 0.173,1318 0.144,1319 13.807,1320 8.776,1321 8.542,1322 0.107,1323 0.084,1324 11.7,1325 6.7,1326 6.837,1327 0.068,1328 0.052,1329 10.154,1330 5.261,1331 0.372,1332 109.1,1333 0.23,1334 27.01,1335 0.689,1336 158,1337 589.531,1338 289.793,1339 650.427,1340 845.48,1341 590,1342 188,1343 510.615,1344 327.201,1345 612.844,1346 890.63,1347 566,1348 6}
{0 CHEMBL129901,1 1.951,2 10.724,3 3.85,4 14.819,5 109.748,6 10.168,7 0.516,8 3.935,9 3.977,10 4.022,11 3.625,12 5.114,13 3.553,14 4.476,15 4.561,16 4.347,17 4.007,18 6.08,19 3.937,20 4.651,21 4.735,22 4.469,23 4.132,24 6.097,25 4.059,26 4.765,27 4.858,28 4.444,29 4.158,30 6.226,31 4.062,32 4.803,33 4.924,34 4.482,35 4.065,36 6.236,37 4.003,38 4.81,39 4.945,40 4.377,41 3.97,42 6.636,43 3.914,44 4.59,45 4.72,46 4.169,47 3.867,48 6.151,49 3.781,50 4.483,51 4.601,52 3.931,53 3.798,54 6.083,55 3.71,56 0.211,57 0.71,58 8.284,59 5.366,60 44.11,61 4.278,62 0.762,63 1.139,64 21.565,65 9.58,66 117.776,67 8.056,68 0.752,69 1.408,70 19.279,71 10.608,72 129.437,73 8.175,74 0.895,75 1.532,76 34.312,77 13.669,78 139.246,79 9.981,80 1.033,81 1.538,82 33.233,83 13.044,84 188.3,85 9.476,86 1.66,87 1.454,88 36.009,89 12.789,90 316.627,91 10.477,92 1.119,93 1.205,94 28.735,95 10.633,96 201.911,97 8.3,98 0.9,99 1.053,100 20.698,101 9.075,102 151.874,103 7.974,105 87,106 48,107 0.33,108 0.676,109 0.803,110 0.861,111 0.861,112 0.861,113 3.409,114 1.187,115 -3.94,116 -3.9,117 -3.69,120 40,121 1,125 2,140 6,141 3,142 3,147 1,148 1,153 1,165 7,167 3,168 2,171 2,173 1,176 9,182 10,187 4,190 8,195 12,198 2,200 3,203 2,207 10,212 2,215 3,219 8,220 4,223 2,225 1,227 6,231 4,239 8,244 4,245 4,253 7,258 8,266 4,270 1268,271 18.245,272 18.245,273 18.245,274 18.245,275 18.245,276 15.631,277 13.62,278 10.088,279 19.01,280 15.182,281 15.182,282 15.182,283 15.182,284 15.182,285 10.945,286 7.984,287 4.691,288 16.413,289 3.541,290 1.501,291 0.751,292 0.406,293 0.406,294 0.406,295 4.075,301 1,302 1,303 649,304 4.583,306 65.241,307 187.588,310 127.364,313 1.477,314 67.015,317 1,318 0.83,319 1,320 0.4,322 0.83,323 1,324 0.72,325 66,326 311,327 4.952,328 5.19,329 7.45,330 4.413,331 3.51,332 4.87,333 2.95,334 13.119,335 3.166,336 4.836,337 4.713,338 7.245,339 4.247,340 3.364,341 4.709,342 1.674,343 12.241,344 2.99,345 4.441,346 3.649,347 6.494,348 3.903,349 2.944,350 4.311,352 10.063,353 2.797,354 4.136,355 3.124,356 6.021,357 3.726,358 2.746,359 3.696,361 8.547,362 2.636,363 3.698,364 2.877,365 5.587,366 3.243,367 2.296,368 3.096,370 7.205,371 2.154,372 3.608,373 2.704,374 5.245,375 3.12,376 2.173,377 3.008,379 6.143,380 2.044,381 3.287,382 2.054,383 4.954,384 2.782,385 1.846,386 2.624,388 5.592,389 1.697,390 2.891,391 1.979,392 4.678,393 2.4,394 1.455,395 2.03,397 4.379,398 1.355,399 2.825,400 1.905,401 4.219,402 2.269,403 1.337,404 1.881,406 3.617,407 1.226,408 2.66,409 1.461,410 4.034,411 2.135,412 1.153,413 1.712,415 3.115,416 1.126,417 2.187,418 1.432,419 3.583,420 1.67,421 0.759,422 1.057,424 1.9,425 0.673,426 1.507,427 0.963,428 3.235,429 1.206,430 0.301,431 0.343,433 0.545,434 0.268,435 1.396,436 0.758,437 2.888,438 0.976,439 0.011,440 0.014,442 0.022,443 0.01,444 1.17,445 0.559,446 2.692,447 0.74,448 -0.151,449 -0.19,451 -0.361,452 -0.13,453 1,454 0.222,455 2.571,456 0.211,457 -0.764,458 -0.948,460 -2.041,461 -0.673,462 14.186,463 0.489,464 1.236,465 0.043,466 39.75,467 1.371,468 22,469 0.759,470 17.75,471 0.612,472 24.794,473 0.855,474 32.014,475 0.711,476 34.912,477 1.204,478 7.529,479 0.26,480 5.907,481 0.204,482 0.243,483 0.117,484 0.317,488 1,490 0.507,491 1.03,492 0.814,493 1.176,494 0.64,495 0.874,496 0.639,497 0.825,498 0.835,499 0.826,500 0.544,501 0.716,502 1.062,503 1.104,504 1.009,505 1.052,506 1.089,507 0.98,508 1.096,509 1.171,510 1.423,511 1.335,512 1.05,513 1.205,514 1.177,515 1.093,516 1.114,517 1.205,518 1.292,519 1.05,520 0.957,521 0.815,522 0.903,523 0.827,524 1.045,525 0.878,526 1.041,527 0.759,528 1.127,529 1.003,530 1.057,531 0.954,532 0.81,533 0.914,534 1.148,535 1.077,536 0.848,537 1.203,538 9.5,539 0.245,540 5.111,541 3.319,542 2.654,543 1.851,544 1.009,545 0.581,546 0.427,547 0.261,548 9168,549 38510,550 1.919,551 35.6,552 3,553 12,556 1,560 1.724,561 1.706,562 3.35,563 -0.2,565 1,569 87.81,570 1.951,571 3.991,572 4.741,573 5.086,574 5.086,575 5.086,576 2.802,577 4.349,578 4.83,579 3.503,580 1422.07,581 8.436,582 18559.9,587 247.133,588 1.838,589 4.716,590 0.306,591 0.012,592 0.106,593 0.066,594 0.054,595 0.041,596 0.023,597 0.017,598 0.013,599 0.01,600 0.649,601 0.33,602 1,603 1.125,604 145.078,605 0.063,606 -0.038,607 0.189,608 -0.058,609 -0.122,610 0.047,611 0.165,612 0.118,613 0.116,614 0.193,615 0.21,616 0.215,617 -0.187,618 -0.072,619 -0.043,620 -0.02,621 -0.164,622 -0.067,623 -0.197,624 -0.186,625 -0.29,626 -0.202,627 -0.12,628 -0.258,629 -0.186,630 -0.159,631 -0.019,632 -0.145,633 -0.225,634 -0.085,635 0.209,636 0.102,637 0.077,638 0.119,639 0.207,640 0.075,641 -0.012,642 0.172,643 -0.056,644 0.041,645 -0.017,646 0.037,647 0.081,648 -0.04,649 -0.25,650 -0.142,651 0.07,652 -0.252,653 5.091,654 5.95,655 0.517,656 25.351,657 1.042,658 1.115,659 2.712,660 7.354,661 0.727,662 3.466,663 3.892,664 4.127,665 4.394,666 4.625,667 4.745,668 4.796,669 4.86,670 4.771,671 4.804,672 6.196,673 0.699,674 457.56,675 3.466,676 5.069,677 5.932,678 6.86,679 7.749,680 8.677,681 9.576,682 10.505,683 11.409,684 12.338,685 2.2,690 1,698 2,699 6,703 1,704 6,706 16,712 1,719 1,720 45,723 21,724 2,725 31,727 47,728 18,729 14,730 6,731 6,732 1,735 3,736 4,741 1,749 15,750 3,754 5,757 2,759 5,763 1,765 1,766 1,768 16,769 8,770 1,771 11,772 3,775 1,780 0.667,781 6,788 1,789 2,792 1,813 2,815 3,817 3,819 1,821 29,823 1,824 1,829 1,830 1,837 1,839 1,840 13.3,843 5,845 1,847 17,848 9.143,849 6.097,850 2.286,851 3.34,852 1.453,853 0.995,854 5.738,855 10.719,856 3.807,857 4.551,858 5.081,859 5.696,860 6.26,861 6.65,862 6.959,863 7.29,864 7.299,865 7.546,866 1,867 50,868 11.471,870 5.762,871 8.454,872 19.573,874 16.518,877 2.954,878 85.667,881 1,882 176.567,883 157.197,884 16.405,886 124.771,887 14.96,888 43.131,889 114.066,890 301.337,891 31.365,892 26.899,894 68.711,895 137.367,896 33.373,897 15.706,898 207.844,900 176.567,901 130.471,902 139.731,903 43.131,905 191.527,906 124.771,909 8.825,910 105.241,911 28.258,912 31.278,913 191.527,914 141.176,915 157.197,917 11.853,918 176.567,919 61.587,920 83.756,921 16.405,922 139.731,923 176.567,924 156.136,925 157.197,927 0.613,928 0.349,929 0.175,930 0.1,931 24,932 13,933 0.128,934 6,935 1,936 1.133,937 3.715,938 262.906,939 0.133,940 15,941 136.881,942 1,944 2,945 21.69,946 7.672,947 4.297,948 1.036,949 156.136,950 7.442,954 0.943,955 -0.812,957 16.405,958 489.899,959 44,962 -8.048,964 61.915,968 -0.758,969 46.876,970 50.176,971 0.355,972 0.727,973 0.863,974 0.926,975 0.926,976 0.926,977 5.094,978 1.455,979 6.033,980 5.592,981 4.575,982 5.239,983 3.179,984 6.973,985 4.425,986 6.417,987 1.337,988 7.695,989 4.379,990 4.635,991 5.629,993 8.361,994 4.364,995 7.834,996 1.153,997 9.468,998 3.617,999 6.385,1000 7.728,1001 5.125,1002 11.396,1003 6.066,1004 9.29,1005 0.759,1006 11.304,1007 3.115,1008 7.163,1009 8.835,1011 13.518,1012 6.7,1013 10.775,1014 0.301,1015 13.181,1016 1.9,1017 8.532,1018 10.552,1019 7.218,1020 16.201,1021 8.011,1022 12.281,1023 0.011,1024 15.084,1025 0.545,1026 9.582,1027 11.928,1029 18.587,1030 8.919,1031 13.802,1032 -0.151,1033 17.006,1034 0.022,1035 10.841,1036 13.532,1037 9.358,1038 21.171,1039 10.1,1040 3.51,1041 -0.764,1042 18.944,1043 -0.361,1044 11.996,1045 15.013,1047 23.655,1048 11.123,1049 3.364,1050 13.119,1051 20.892,1052 -2.041,1053 13.226,1054 16.582,1055 11.515,1056 26.212,1057 12.259,1058 2.944,1059 12.241,1060 22.85,1061 4.87,1062 14.424,1063 18.107,1065 28.735,1066 13.333,1067 2.746,1068 10.063,1069 24.814,1070 4.709,1071 15.649,1072 19.667,1073 13.676,1074 31.287,1075 14.455,1076 2.296,1077 8.547,1078 26.784,1079 4.311,1080 16.866,1081 21.211,1083 33.827,1084 15.553,1085 2.173,1086 7.205,1087 28.759,1088 3.696,1089 18.094,1090 22.77,1091 15.839,1092 36.379,1093 16.673,1094 1.846,1095 6.143,1096 30.738,1097 3.096,1098 19.321,1099 24.324,1101 38.928,1102 17.785,1103 9193,1104 19001,1105 18.898,1106 32.705,1107 47.992,1108 52.68,1109 51.169,1110 47.937,1111 47.792,1112 66.704,1113 9.249,1114 152.977,1115 44.288,1116 5.805,1117 7.19,1118 6.994,1119 5.589,1120 5.51,1121 7.87,1122 5.9,1123 21.248,1124 5.166,1125 20.48,1126 1.548,1127 1.699,1128 1.651,1129 1.546,1130 1.542,1131 2.152,1132 0.298,1133 4.935,1134 1.429,1135 4.181,1136 4.159,1137 4.808,1138 4.219,1139 8.201,1140 4.127,1141 4.062,1142 4.04,1143 4.72,1144 4.083,1145 7.72,1146 3.992,1147 3.799,1148 3.754,1149 4.171,1150 3.76,1151 7.712,1152 3.652,1153 3.69,1154 3.667,1155 3.769,1156 3.612,1157 7.433,1158 3.553,1159 3.377,1160 3.414,1161 3.47,1162 3.23,1163 6.999,1164 3.206,1165 3.307,1166 3.343,1167 3.277,1168 3.064,1169 6.999,1170 3.084,1171 3.003,1172 3.048,1173 3.087,1174 2.961,1175 4.773,1176 2.88,1177 2.954,1178 2.986,1179 2.792,1180 2.764,1181 4.671,1182 2.75,1183 0.16,1184 0.167,1185 0.24,1186 0.142,1187 0.113,1188 4.952,1189 0.157,1190 5.19,1191 0.095,1192 7.45,1193 0.423,1194 4.413,1195 0.102,1196 3.51,1197 4.87,1198 2.95,1199 13.119,1200 3.166,1201 1.995,1202 2.013,1203 1.992,1204 2.058,1205 1.247,1206 2.096,1207 1.922,1208 1.909,1209 1.975,1210 1.983,1211 1.164,1212 1.994,1213 1.726,1214 1.784,1215 1.678,1216 1.779,1217 0.989,1218 1.857,1219 1.568,1220 1.59,1221 1.606,1222 1.719,1223 0.834,1224 1.753,1225 1.308,1226 1.277,1227 1.574,1228 1.566,1229 0.596,1230 1.58,1231 1.221,1232 1.18,1233 1.243,1234 1.47,1235 0.569,1236 1.513,1237 0.967,1238 0.945,1239 1.144,1240 1.159,1241 0.245,1242 1.159,1243 0.886,1244 0.859,1245 1.091,1246 1.054,1247 0.205,1248 1.086,1249 4.143,1251 5.541,1252 2.398,1253 7.117,1254 4.844,1255 8.773,1256 7.05,1257 10.472,1259 3.589,1261 13.521,1266 2.268,1267 4.572,1273 31.469,1274 87.81,1275 179.585,1276 213.359,1277 228.869,1278 228.869,1279 228.869,1280 105.924,1281 7.38,1282 106.61,1283 151.61,1284 17,1285 12.845,1286 4.459,1287 3.807,1288 52.276,1289 108,1290 111,1291 0.242,1292 203.196,1293 354.4,1294 487.558,1295 14620,1296 2.2,1297 21.56,1298 0.743,1299 0.62,1300 21.543,1301 17.966,1302 13.436,1303 0.433,1304 0.396,1305 8.294,1306 10.966,1307 7.627,1308 6.337,1309 15.166,1310 12.268,1311 13.927,1312 0.29,1313 0.232,1314 16.595,1315 11.149,1316 10.564,1317 0.173,1318 0.14,1319 13.203,1320 8.54,1321 8.542,1322 0.107,1323 0.082,1324 11.302,1325 6.528,1326 6.837,1327 0.068,1328 0.049,1329 9.34,1330 4.972,1331 0.372,1332 106.791,1333 0.23,1334 27.01,1335 0.689,1336 158,1337 649.438,1338 278.104,1339 650.427,1340 845.48,1341 590,1342 188,1343 527.086,1344 320.352,1345 612.844,1346 890.63,1347 566,1348 6}
{0 CHEMBL16016,1 1.438,2 8.526,3 4.183,4 17.494,5 76.534,6 9.024,7 0.524,8 3.515,9 3.585,10 3.253,11 3.21,12 4.695,13 3.184,14 3.994,15 4.089,16 3.651,17 3.581,18 5.253,19 3.538,20 4.222,21 4.371,22 3.667,23 3.708,24 5.325,25 3.619,26 4.255,27 4.447,28 3.505,29 3.585,30 5.364,31 3.455,32 4.007,33 4.213,34 3.271,35 3.382,36 4.99,37 3.257,38 3.911,39 4.094,40 3.195,41 3.238,42 5.001,43 3.133,44 3.703,45 3.883,46 3.128,47 3.065,48 4.861,49 2.984,50 3.517,51 3.664,52 2.984,53 2.836,54 4.824,55 2.777,56 0.02,57 0.31,58 3.856,59 2.481,60 4.153,61 2.918,62 0.214,63 0.514,64 8.113,65 4.254,66 18.673,67 5.03,68 0.107,69 0.681,70 11.827,71 5.893,72 18.838,73 7.183,74 0.3,75 0.714,76 19.48,77 6.794,78 40.547,79 8.136,80 0.098,81 0.574,82 12.845,83 5.283,84 16.666,85 6.905,86 0.183,87 0.501,88 13.242,89 4.706,90 26.134,91 5.402,92 0.102,93 0.406,94 9.969,95 3.782,96 14.242,97 4.552,98 0.124,99 0.322,100 8.28,101 2.989,102 19.441,103 3.108,105 5,106 29,107 0.269,108 0.581,109 0.717,110 0.839,111 0.869,112 0.894,113 3.01,114 0.909,115 -5.29,116 -5.18,117 -4.84,120 53.3,122 1,135 2,136 1,139 1,140 7,141 3,153 1,165 15,167 1,168 4,176 20,182 3,190 20,195 3,203 15,207 3,215 12,220 3,227 9,231 4,239 7,245 4,253 5,258 3,266 2,270 393,271 12.878,272 12.878,273 12.878,274 12.878,275 12.878,276 10.989,277 10.539,278 7.638,279 13.11,280 10.382,281 10.382,282 10.382,283 10.382,284 10.382,285 7.522,286 12.258,287 3.662,288 10.796,289 3.468,290 1.806,291 1.08,292 0.425,293 0.267,294 0.133,295 3.693,299 1,301 1,302 1,303 352,304 2,307 146.849,311 76.751,313 1.235,314 15.327,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 40.333,326 162,327 4.416,328 3.683,329 6.196,330 3.946,331 2.959,332 4.338,333 1.819,334 9.278,335 2.936,336 4.243,337 3.2,338 6.075,339 3.769,340 2.83,341 3.676,342 0.915,343 8.794,344 2.647,345 3.65,346 2.941,347 5.25,348 3.28,349 2.289,350 3.026,351 0.68,352 6.654,353 2.253,354 3.47,355 2.528,356 4.916,357 2.993,358 2.01,359 2.697,361 5.639,362 1.947,363 3.118,364 1.877,365 4.415,366 2.618,367 1.618,368 2.427,370 4.367,371 1.618,372 2.898,373 1.618,374 4.127,375 2.41,376 1.452,377 2.085,379 3.657,380 1.402,381 2.767,382 1.412,383 3.616,384 2.27,385 1.37,386 1.7,388 2.997,389 1.137,390 2.199,391 0.998,392 3.199,393 1.713,394 0.714,395 1.049,397 1.65,398 0.713,399 1.825,400 0.822,401 3.016,402 1.332,403 0.356,404 0.479,406 0.864,407 0.328,408 1.171,409 0.667,410 2.389,411 0.724,412 -0.271,413 -0.356,415 -0.664,416 -0.24,417 0.882,418 0.085,419 2.358,420 0.382,421 -0.514,422 -0.599,424 -1.242,425 -0.374,426 0.774,427 -0.403,428 2.163,429 0.305,430 -0.618,431 -0.927,433 -1.593,434 -0.618,435 0.497,436 -0.618,437 2,438 0.191,439 -0.803,440 -1.077,442 -2.088,443 -0.81,444 0.342,445 -0.767,446 1.817,447 -0.093,448 -1.099,449 -1.497,451 -2.945,452 -1.064,453 0.174,454 -0.967,455 1.379,456 -0.269,457 -1.251,458 -1.689,460 -3.472,461 -1.113,462 9.381,463 0.494,464 0.452,465 0.024,466 26,467 1.368,468 14.5,469 0.763,470 11.5,471 0.605,472 12.179,473 0.641,474 18.819,475 0.627,476 16.397,477 0.863,478 5.352,479 0.282,480 3.868,481 0.204,482 0.112,484 0.32,490 0.609,491 0.909,492 0.531,493 0.804,494 0.546,495 0.765,496 0.411,497 0.985,498 0.617,499 0.958,500 0.433,501 0.933,502 0.708,503 1.122,504 0.794,505 1.014,506 0.723,507 1.064,508 0.901,509 0.966,510 1.226,511 1.087,512 0.777,513 1.11,514 0.538,515 1.059,516 0.859,517 1.026,518 0.449,519 1.038,520 1.255,521 0.925,522 1.211,523 0.975,524 1.154,525 1.001,526 1.013,527 0.983,528 0.965,529 0.947,530 0.798,531 0.891,532 1.695,533 1.043,534 1.238,535 1.008,536 1.783,537 0.966,538 4,539 0.025,540 2,541 1,542 1.129,543 0.264,544 0.363,545 0.22,546 0.094,547 0.094,548 3413,549 10835,550 2.113,551 36.7,552 2,553 9,560 1.6,561 2,562 3.093,563 -0.828,565 1,569 43.153,570 1.438,571 3.101,572 3.827,573 4.482,574 4.64,575 4.774,576 2.505,577 4.248,578 4.223,579 3.178,580 543.4,581 7.175,582 5294.82,584 1,585 1,586 1,587 147.207,588 1.324,589 4.189,590 0.19,591 0.008,592 0.069,593 0.036,594 0.054,595 0.015,596 0.023,597 0.015,598 0.008,599 0.013,600 0.431,601 0.83,602 1,603 0.565,604 82.375,605 -0.008,606 -0.005,607 0.017,608 -0.003,609 -0.053,610 0.021,611 0.346,612 -0.061,613 0.041,614 -0.112,615 0.184,616 -0.1,617 -0.024,618 -0.176,619 -0.013,620 -0.1,621 -0.029,622 -0.13,623 0.005,624 0.01,625 -0.091,626 -0.066,627 0.037,628 -0.073,629 0.062,630 -0.083,631 0.077,632 -0.032,633 0.065,634 0.018,635 -0.167,636 0.058,637 -0.093,638 0.042,639 -0.164,640 0.013,641 -0.022,642 -0.005,643 0.109,644 0.06,645 0.079,646 0.126,647 -0.22,648 -0.068,649 -0.054,650 -0.003,651 -0.179,652 -0.018,653 2.09,654 4.019,655 0.842,656 12.299,657 1.009,658 1.095,659 4.061,660 16.492,661 0.745,662 3.091,663 3.401,664 3.638,665 3.871,666 4.111,667 4.043,668 4.111,669 4.234,670 4.304,671 4.19,672 4.981,673 0.714,674 270.72,675 3.091,676 4.615,677 5.451,678 6.315,679 7.166,680 8.032,681 8.888,682 9.753,683 10.612,684 11.478,698 2,699 7,704 1,706 11,720 30,723 14,724 2,725 21,727 32,728 16,729 10,730 3,731 7,732 5,733 1,735 3,736 4,737 1,748 1,749 15,750 1,753 1,754 3,759 1,761 2,763 3,765 1,768 11,769 2,771 3,772 1,780 0.667,781 2,789 3,793 1,803 1,805 2,806 1,813 2,818 1,821 19,828 1,830 1,839 1,840 6.7,843 1,845 1,847 9.5,848 5.476,849 4.139,850 1.758,851 2.954,852 1.446,853 1.013,854 3.199,855 9.576,856 3.418,857 4.034,858 4.608,859 5.176,860 5.766,861 5.977,862 6.335,863 6.776,864 7.149,865 7.081,866 0.833,867 28,868 6.977,870 2.967,871 7.822,872 13.234,874 10.85,877 2.322,878 44.111,879 0.001,882 129.482,883 112.088,885 39.149,886 36.145,889 112.088,890 204.776,893 2.535,894 85.286,895 32.336,896 28.075,897 39.149,898 129.482,900 129.482,901 112.088,902 36.145,903 39.149,905 129.482,906 36.145,909 2.535,910 90.601,911 18.952,912 39.149,913 129.482,914 36.145,915 151.236,918 129.482,919 26.801,920 85.286,922 75.293,923 129.482,924 36.145,925 151.236,927 0.581,928 0.334,929 0.178,930 0.1,931 15,932 6,933 0.063,934 2,935 1,936 1.125,937 3.208,938 138.788,939 0.125,940 16,941 80.711,945 12.154,946 5.001,947 2.6,948 2.394,949 36.145,950 14.447,955 1.134,958 316.863,959 29.5,964 11.019,966 3.103,968 0.56,969 30.28,970 32.854,971 0.293,972 0.632,973 0.78,974 0.913,975 0.946,976 0.973,977 4.632,978 0.714,979 5.425,980 2.997,981 4.078,982 4.718,983 2.324,984 6.192,985 4.012,986 5.853,987 0.356,988 6.956,989 1.65,990 3.611,991 4.511,993 6.969,994 3.487,995 7.162,996 -0.271,997 8.581,998 0.864,999 5.631,1000 6.953,1001 3.207,1002 10.034,1003 5.517,1004 8.505,1005 -0.514,1006 10.261,1007 -0.664,1008 5.943,1009 7.553,1011 11.605,1012 5.77,1013 9.877,1014 -0.618,1015 11.976,1016 -1.242,1017 7.444,1018 9.466,1019 4.315,1020 14.167,1021 7.279,1022 11.269,1023 -0.803,1024 13.714,1025 -1.593,1026 8.137,1027 10.478,1029 16.082,1030 7.92,1031 12.677,1032 -1.099,1033 15.469,1034 -2.088,1035 9.404,1036 12.148,1037 5.487,1038 18.445,1039 9.189,1040 2.959,1041 -1.251,1042 17.236,1043 -2.945,1044 10.288,1045 13.378,1047 20.518,1048 10.034,1049 2.83,1050 9.278,1051 19.013,1052 -3.472,1053 11.447,1054 14.933,1055 6.677,1056 22.796,1057 11.187,1058 2.289,1059 8.794,1060 20.798,1061 4.338,1062 12.426,1063 16.276,1065 24.942,1066 12.138,1067 2.01,1068 6.654,1069 22.588,1070 3.676,1071 13.535,1072 17.777,1073 7.872,1074 27.183,1075 13.239,1076 1.618,1077 5.639,1078 24.383,1079 3.026,1080 14.56,1081 19.178,1083 29.363,1084 14.244,1085 1.452,1086 4.367,1087 26.182,1088 2.697,1089 15.647,1090 20.656,1091 9.068,1092 31.588,1093 15.322,1094 1.37,1095 3.657,1096 27.983,1097 2.427,1098 16.695,1099 22.087,1101 33.785,1102 16.355,1103 3295,1104 6000,1105 14.216,1106 22.335,1107 31.885,1108 32.789,1109 31.907,1110 31.349,1111 31.197,1112 42.952,1113 6.827,1114 87.799,1115 29.961,1116 5.223,1117 5.683,1118 5.883,1119 5.03,1120 4.959,1121 7.338,1122 3.638,1123 15.652,1124 4.936,1125 7.423,1126 1.518,1127 1.561,1128 1.519,1129 1.493,1130 1.486,1131 2.045,1132 0.325,1133 4.181,1134 1.427,1135 4.092,1136 4.112,1137 4.058,1138 4.055,1139 7.434,1140 4.049,1141 3.83,1142 3.835,1143 3.931,1144 3.728,1145 4.959,1146 3.734,1147 3.495,1148 3.528,1149 3.41,1150 3.406,1151 4.877,1152 3.401,1153 3.15,1154 3.184,1155 3.37,1156 3.032,1157 4.328,1158 3.028,1159 3.015,1160 3.056,1161 2.987,1162 2.922,1163 4.203,1164 2.912,1165 2.804,1166 2.808,1167 2.862,1168 2.646,1169 3.873,1170 2.633,1171 2.7,1172 2.724,1173 2.613,1174 2.477,1175 3.825,1176 2.519,1177 2.553,1178 2.635,1179 2.385,1180 2.389,1181 3.54,1182 2.374,1183 0.21,1184 0.175,1185 0.295,1186 0.188,1187 0.141,1188 4.416,1189 0.207,1190 3.683,1191 0.087,1192 6.196,1193 0.442,1194 3.946,1195 0.14,1196 2.959,1197 4.338,1198 1.819,1199 9.278,1200 2.936,1201 2.082,1202 2.063,1203 2.168,1204 2.134,1205 1.322,1206 2.146,1207 1.775,1208 1.762,1209 1.874,1210 1.9,1211 1.042,1212 1.89,1213 1.491,1214 1.459,1215 1.652,1216 1.615,1217 0.704,1218 1.629,1219 1.134,1220 1.094,1221 1.36,1222 1.294,1223 0.465,1224 1.315,1225 1.012,1226 0.974,1227 1.238,1228 1.158,1229 0.329,1230 1.186,1231 0.693,1232 0.673,1233 0.942,1234 0.95,1235 0.018,1236 0.906,1237 0.606,1238 0.589,1239 0.809,1240 0.824,1242 0.859,1243 0.56,1244 0.499,1245 0.729,1246 0.794,1248 0.815,1249 3.761,1251 5.069,1253 6.581,1255 8.184,1257 9.83,1260 5.931,1265 0.646,1267 4.878,1273 21.418,1274 43.153,1275 93.026,1276 114.8,1277 134.452,1278 139.207,1279 143.207,1280 23.796,1281 6.623,1282 30.21,1283 30.21,1284 18,1285 12.025,1286 3.907,1287 3.248,1288 27.908,1289 57,1290 52,1291 0.245,1292 134.974,1293 238.15,1294 321.096,1295 6002,1296 3.3,1297 13.242,1298 0.697,1299 0.571,1300 13.742,1301 10.854,1302 9.22,1303 0.439,1304 0.303,1305 5.973,1306 8.763,1307 5.801,1308 4.8,1309 9.509,1310 6.362,1311 8.375,1312 0.289,1313 0.164,1314 8.746,1315 4.755,1316 6.894,1317 0.186,1318 0.092,1319 7.247,1320 3.392,1321 5.691,1322 0.121,1323 0.049,1324 6.044,1325 2.325,1326 4.722,1327 0.079,1328 0.027,1329 4.925,1330 1.634,1331 0.379,1332 59.891,1333 0.265,1334 18.999,1335 0.684,1336 100,1337 303.674,1338 123.348,1339 324.983,1340 432.09,1341 302,1342 116,1343 292.772,1344 133.026,1345 307.981,1346 449.59,1347 289,1348 4.201}
{0 CHEMBL16054,1 1.52,2 7,3 3.383,4 11.446,5 62.683,6 11.046,7 0.375,8 3.282,9 3.352,10 3.195,11 2.972,12 4.466,13 2.934,14 3.745,15 3.842,16 3.659,17 3.299,18 5.015,19 3.246,20 3.939,21 4.097,22 3.703,23 3.409,24 5.024,25 3.287,26 3.926,27 4.123,28 3.652,29 3.263,30 4.988,31 3.097,32 3.603,33 3.797,34 3.336,35 3.043,36 4.617,37 2.907,38 3.539,39 3.694,40 3.289,41 2.924,42 4.711,43 2.793,44 3.254,45 3.429,46 2.82,47 2.547,48 4.45,49 2.41,50 2.769,51 2.959,52 1.778,53 1.799,54 4.142,55 1.722,56 0.024,57 0.248,58 1.24,59 2.024,60 3.59,61 2.326,62 0.186,63 0.403,64 5.096,65 3.555,66 15.222,67 3.941,68 0.115,69 0.514,70 7.38,71 4.877,72 16.734,73 5.606,74 0.252,75 0.502,76 27.35,77 6.053,78 27.55,79 6.201,80 0.081,81 0.371,82 12.387,83 3.955,84 11.483,85 4.675,86 0.158,87 0.326,88 15.549,89 3.812,90 19.335,91 3.58,92 0.109,93 0.246,94 14.246,95 2.98,96 10.458,97 2.905,98 0.105,99 0.153,100 8.261,101 1.69,102 15.232,103 1.467,105 5,106 21,107 0.307,108 0.629,109 0.737,110 0.818,111 0.841,112 0.841,113 2.794,114 1.007,115 -4.57,116 -4.49,117 -4.23,119 1,120 50,122 1,135 2,136 1,139 1,140 5,141 1,153 1,165 10,167 1,168 4,176 12,182 3,190 11,195 3,203 8,207 3,215 7,220 3,227 5,231 3,239 2,245 2,258 1,270 213,271 10.069,272 10.069,273 10.069,274 10.069,275 10.069,276 8.695,277 10.557,278 6.145,279 10.326,280 7.911,281 7.911,282 7.911,283 7.911,284 7.911,285 5.878,286 12.313,287 2.962,288 8.378,289 3.065,290 1.469,291 0.932,292 0.531,293 0.417,294 0.417,295 3.444,301 1,302 1,303 219,304 1.732,307 94.568,313 0.933,314 11.812,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 31.75,326 105,327 4.268,328 3.677,329 6.093,330 3.82,331 2.889,332 3.708,333 1.809,334 8.872,335 2.708,336 3.858,337 3.179,338 5.321,339 3.442,340 2.463,341 3.382,342 0.896,343 6.885,344 2.384,345 3.515,346 2.7,347 4.924,348 3.058,349 2.069,350 2.721,351 0.68,352 5.679,353 2.014,354 2.91,355 1.971,356 4.141,357 2.46,358 1.524,359 2.061,361 3.714,362 1.426,363 2.753,364 1.476,365 3.587,366 2.24,367 1.338,368 1.687,370 3,371 1.087,372 2.5,373 1,374 3.247,375 2,376 1,377 1.5,379 2.136,380 1,381 1.821,382 0.979,383 2.93,384 1.322,385 0.353,386 0.472,388 0.839,389 0.31,390 1.028,391 0.747,392 2.359,393 0.615,394 -0.388,395 -0.463,397 -0.913,398 -0.261,399 0.7,400 0.032,401 2.188,402 0.258,403 -0.515,404 -0.639,406 -1.243,407 -0.424,408 0.5,409 -0.478,410 1.555,411 0.026,412 -1,413 -1.262,415 -2.347,416 -1,417 0.293,418 -0.875,419 1.47,421 -1,422 -1.5,424 -2.46,425 -1.019,426 0.162,427 -1,428 1.364,429 -0.347,430 -1.299,431 -1.682,433 -3.544,434 -1.042,435 -0.251,436 -1.105,437 1,438 -0.788,439 -1.525,440 -1.956,442 -4.044,443 -1.399,444 -0.5,445 -1.499,446 0.93,447 -0.919,448 -1.908,449 -2.318,450 -0.68,451 -4.789,452 -1.853,453 -0.751,454 -1.844,455 0.693,456 -1,457 -2,458 -2.71,459 -0.896,460 -5.468,461 -1.932,462 8,463 0.533,464 0.332,465 0.022,466 19.25,467 1.283,468 10.5,469 0.7,470 8.75,471 0.583,472 10.365,473 0.691,474 14.8,475 0.617,476 10.125,477 0.675,478 3.862,479 0.257,480 3.392,481 0.226,482 0.208,484 0.25,490 0.649,491 0.958,492 0.463,493 0.72,494 0.552,495 0.764,496 0.464,497 1.073,498 0.55,499 0.919,500 0.463,501 0.955,502 0.762,503 1.117,504 0.695,505 0.886,506 0.774,507 1.026,508 0.964,509 0.908,510 1.443,511 1.183,512 0.821,513 1.076,514 0.567,515 0.975,516 0.962,517 0.939,518 0.42,519 0.922,520 1.485,521 0.948,522 1.508,523 1.137,524 1.306,525 1.064,526 1.389,527 1.094,528 1.565,529 1.314,530 1.024,531 1.178,532 2.208,533 0.935,534 1.067,535 1.047,536 2.984,537 1.046,538 3,540 1.333,541 0.75,542 0.764,543 0.181,544 0.182,545 0.139,546 0.037,547 0.016,548 1636,549 5760,550 2.032,551 37.5,552 2,553 7,560 1.528,561 1.915,562 2.848,563 -0.781,567 1,569 36.49,570 1.52,571 3.116,572 3.653,573 4.054,574 4.168,575 4.168,576 2.232,577 3.64,578 3.882,579 2.897,580 304.178,581 6.491,582 2492.66,584 1,586 1,587 110.039,588 1.338,589 3.843,590 0.188,592 0.063,593 0.039,594 0.055,595 0.014,596 0.017,597 0.02,598 0.012,599 0.016,600 0.423,601 0.83,602 1,603 0.648,604 58.773,605 -0.014,606 -0.042,607 0.001,608 -0.023,609 -0.048,611 0.352,612 -0.143,613 0.041,614 -0.151,615 0.181,616 -0.136,617 -0.032,618 -0.168,619 0.034,620 -0.02,621 -0.039,622 -0.092,623 -0.031,624 0.057,625 -0.081,626 -0.051,628 -0.002,629 0.066,630 -0.016,631 0.016,632 0.044,633 0.084,634 0.115,635 -0.268,636 0.009,637 -0.149,638 -0.027,639 -0.222,640 -0.073,641 -0.194,642 -0.134,643 -0.19,644 -0.185,645 0.004,646 -0.147,647 -0.426,648 0.089,649 -0.17,650 -0.039,651 -0.333,652 -0.05,653 2.001,654 3.898,655 0.8,656 7.84,657 1.013,658 1.097,659 3.339,660 11.147,661 0.753,662 2.833,663 3.091,664 3.258,665 3.434,666 3.611,667 3.401,668 3.332,669 3.332,670 3.219,671 2.944,672 4.177,673 0.712,674 265.11,675 2.833,676 4.317,677 5.118,678 5.953,679 6.772,680 7.61,681 8.436,682 9.275,683 10.105,684 10.944,699 5,704 1,706 6,720 24,723 9,724 1,725 16,726 1,727 25,728 12,729 6,730 1,731 5,732 5,733 1,735 2,736 2,748 1,749 11,750 1,753 1,754 3,759 1,761 2,763 3,765 1,768 9,769 2,771 3,772 1,780 1,781 2,789 2,803 1,805 2,806 1,813 2,816 1,821 15,828 1,830 1,839 1,840 8.3,843 1,845 1,847 7.833,848 4.31,849 3.361,850 1.362,851 1.787,852 1.315,853 0.974,854 3.142,855 7.46,856 3.135,857 3.651,858 4.09,859 4.529,860 5.004,861 4.895,862 5.004,863 5.339,864 5.508,865 5.45,866 0.8,867 19,868 5.497,869 -0.001,870 2.25,871 7.861,872 10.38,874 8.144,877 2.361,878 35.417,879 0.003,882 105.94,883 87.544,884 45.954,886 36.145,889 133.498,890 142.085,893 2.535,894 66.334,895 32.336,896 22.484,898 151.894,900 105.94,901 87.544,902 36.145,904 45.954,905 105.94,906 36.145,909 2.535,910 66.057,911 18.952,912 45.954,913 105.94,914 36.145,915 133.498,918 105.94,919 21.21,920 66.334,921 45.954,922 36.145,923 105.94,924 36.145,925 133.498,927 0.569,928 0.316,929 0.165,930 0.092,931 10,932 4,933 0.08,934 2,936 1,937 2.787,938 92.834,940 12,941 54.603,945 10.34,946 4.558,947 2.644,949 36.145,950 10.031,955 1.187,958 275.583,959 22,964 10.898,966 3.214,968 1.151,969 24.302,970 26.336,971 0.332,972 0.68,973 0.797,974 0.884,975 0.909,976 0.909,977 4.324,978 -0.388,979 5.069,980 0.839,981 3.761,982 4.331,983 2.31,984 5.778,985 3.66,986 5.51,987 -0.515,988 6.564,989 -0.913,990 3.219,991 3.922,993 6.447,994 3.006,995 6.789,996 -1,997 8.156,998 -1.243,999 5.252,1000 6.399,1001 3.184,1002 9.494,1003 5.068,1004 8.1,1005 -1,1006 9.803,1007 -2.347,1008 5.485,1009 6.737,1011 10.97,1012 5.169,1013 9.438,1014 -1.299,1015 11.487,1016 -2.46,1017 7.002,1018 8.698,1019 4.282,1020 13.515,1021 6.714,1022 10.795,1023 -1.525,1024 13.195,1025 -3.544,1026 7.623,1027 9.411,1029 15.349,1030 7.199,1031 12.168,1032 -1.908,1033 14.921,1034 -4.044,1035 8.897,1036 11.111,1037 5.446,1038 17.692,1039 8.483,1040 2.889,1041 -2,1042 16.661,1043 -4.789,1044 9.723,1045 12.039,1047 19.701,1048 9.182,1049 2.463,1050 8.872,1051 18.412,1052 -5.468,1053 10.878,1054 13.588,1055 6.625,1056 21.956,1057 10.326,1058 2.069,1059 6.885,1060 20.171,1061 3.708,1062 11.812,1063 14.648,1065 24.05,1066 11.147,1067 1.524,1068 5.679,1069 21.938,1070 3.382,1071 12.911,1072 16.106,1073 7.81,1074 26.266,1075 12.216,1076 1.338,1077 3.714,1078 23.71,1079 2.721,1080 13.903,1081 17.249,1083 28.403,1084 13.109,1085 1,1086 3,1087 25.488,1088 2.061,1089 14.976,1090 18.65,1091 8.995,1092 30.601,1093 14.138,1094 0.353,1095 2.136,1096 27.269,1097 1.687,1098 15.998,1099 19.847,1101 32.76,1102 15.072,1103 1671,1104 3241,1105 10.633,1106 18.068,1107 24,1108 24.497,1109 23.736,1110 23.469,1111 23.271,1112 31.062,1113 6.77,1114 62.248,1115 21.86,1116 5.073,1117 5.677,1118 5.895,1119 4.905,1120 4.889,1121 6.708,1122 3.619,1123 15.188,1124 4.708,1125 6.131,1126 1.5,1127 1.531,1128 1.483,1129 1.467,1130 1.454,1131 1.941,1132 0.423,1133 3.89,1134 1.366,1135 3.952,1136 3.976,1137 6.88,1138 3.895,1139 7.434,1140 3.886,1141 3.764,1142 3.773,1143 3.858,1144 3.675,1145 4.784,1146 3.671,1147 3.213,1148 3.247,1149 3.654,1150 3.089,1151 4.657,1152 3.081,1153 2.854,1154 2.925,1155 3.089,1156 2.819,1157 3.962,1158 2.746,1159 2.83,1160 2.842,1161 2.687,1162 2.735,1163 3.769,1164 2.715,1165 2.77,1166 2.775,1167 2.681,1168 2.492,1169 3.674,1170 2.535,1171 2.348,1172 2.444,1173 2.484,1174 2.161,1175 3.417,1176 2.107,1177 1.603,1178 1.802,1179 1.97,1180 1.446,1181 2.958,1182 1.266,1183 0.267,1184 0.23,1185 0.381,1186 0.239,1187 0.181,1188 4.268,1189 0.232,1190 3.677,1191 0.113,1192 6.093,1193 0.555,1194 3.82,1195 0.169,1196 2.889,1197 3.708,1198 1.809,1199 8.872,1200 2.708,1201 1.935,1202 1.911,1203 2.054,1204 2.015,1205 1.209,1206 2.03,1207 1.716,1208 1.704,1209 1.809,1210 1.845,1211 0.906,1212 1.836,1213 1.186,1214 1.148,1215 1.417,1216 1.365,1217 0.535,1218 1.381,1219 0.886,1220 0.821,1221 1.181,1222 1.062,1223 0.218,1224 1.107,1225 0.78,1226 0.764,1227 0.939,1228 0.947,1229 0.064,1230 0.922,1231 0.599,1232 0.601,1233 0.721,1234 0.893,1236 0.893,1237 0.352,1238 0.261,1239 0.621,1240 0.623,1242 0.671,1245 0.381,1246 0.133,1248 0.23,1249 3.497,1251 4.762,1253 6.229,1255 7.782,1257 9.375,1258 3.238,1265 0.755,1267 4.942,1273 17.089,1274 36.49,1275 74.778,1276 87.675,1277 97.284,1278 100.039,1279 100.039,1280 17.936,1281 5.673,1282 30.21,1283 30.21,1284 12,1285 11.512,1286 3.322,1287 2.807,1288 23.641,1289 37,1290 32,1291 0.324,1292 113.434,1293 201.56,1294 268.538,1295 1660,1296 4.2,1297 10.673,1298 0.712,1299 0.635,1300 11.673,1301 9.529,1302 7.254,1303 0.453,1304 0.336,1305 4.587,1306 6.565,1307 4.432,1308 3.684,1309 7.831,1310 5.373,1311 6.395,1312 0.305,1313 0.187,1314 7.137,1315 3.936,1316 4.97,1317 0.199,1318 0.111,1319 5.677,1320 2.772,1321 3.929,1322 0.131,1323 0.06,1324 4.634,1325 1.798,1326 3.085,1327 0.086,1328 0.033,1329 3.491,1330 1.187,1331 0.491,1332 53.29,1333 0.307,1334 15.256,1335 0.926,1336 74,1337 246.126,1338 150.159,1339 272.498,1340 353.23,1341 252,1342 83,1343 225.642,1344 122.232,1345 240.814,1346 348.88,1347 225,1348 4.31}
{0 CHEMBL16064,1 1.52,2 7,3 3.274,4 10.72,5 60.084,6 9.194,7 0.375,8 3.286,9 3.355,10 3.03,11 2.946,12 4.492,13 2.923,14 3.75,15 3.847,16 3.407,17 3.272,18 5.06,19 3.232,20 3.944,21 4.102,22 3.383,23 3.358,24 5.069,25 3.265,26 3.937,27 4.134,28 3.23,29 3.193,30 5.107,31 3.065,32 3.611,33 3.804,34 3.015,35 2.986,36 4.682,37 2.882,38 3.55,39 3.706,40 2.934,41 2.847,42 4.782,43 2.762,44 3.264,45 3.44,46 2.522,47 2.476,48 4.512,49 2.383,50 2.774,51 2.965,52 1.724,53 1.768,54 4.163,55 1.713,56 0.034,57 0.259,58 3.009,59 2.066,60 4.237,61 2.351,62 0.225,63 0.415,64 6.636,65 3.47,66 17.037,67 3.987,68 0.14,69 0.52,70 9.657,71 4.637,72 18.481,73 5.52,74 0.325,75 0.498,76 16.558,77 5.06,78 40.061,79 5.848,80 0.106,81 0.372,82 9.305,83 3.552,84 13.926,85 4.489,86 0.191,87 0.325,88 9.892,89 3.201,90 22.774,91 3.337,92 0.137,93 0.244,94 8.123,95 2.467,96 12.69,97 2.688,98 0.12,99 0.149,100 5.001,101 1.439,102 16.727,103 1.383,105 5,106 21,107 0.307,108 0.629,109 0.737,110 0.818,111 0.841,112 0.841,113 2.794,114 0.93,115 -4.44,116 -4.37,117 -4.12,120 50,122 1,135 2,136 1,139 1,140 5,141 1,153 1,165 10,167 1,168 4,176 12,182 3,190 11,195 3,203 8,207 3,215 7,220 3,227 5,231 3,239 2,245 2,258 1,270 213,271 10.069,272 10.069,273 10.069,274 10.069,275 10.069,276 8.695,277 10.539,278 6.145,279 10.301,280 7.911,281 7.911,282 7.911,283 7.911,284 7.911,285 5.878,286 12.258,287 2.962,288 8.324,289 3.065,290 1.469,291 0.932,292 0.531,293 0.417,294 0.417,295 3.444,299 1,301 1,302 1,303 219,304 1.732,307 94.568,313 0.933,314 13.677,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 32.333,326 105,327 4.268,328 3.683,329 6.093,330 3.824,331 2.889,332 3.708,333 1.819,334 8.872,335 2.719,336 3.858,337 3.192,338 5.321,339 3.443,340 2.463,341 3.382,342 0.915,343 6.885,344 2.39,345 3.515,346 2.709,347 4.924,348 3.06,349 2.069,350 2.721,351 0.68,352 5.679,353 2.021,354 2.91,355 1.98,356 4.141,357 2.464,358 1.524,359 2.061,361 3.714,362 1.432,363 2.753,364 1.477,365 3.587,366 2.25,367 1.338,368 1.687,370 3,371 1.132,372 2.5,373 1,374 3.247,375 2,376 1,377 1.5,379 2.136,380 1,381 1.821,382 0.986,383 2.93,384 1.327,385 0.353,386 0.472,388 0.839,389 0.323,390 1.028,391 0.765,392 2.359,393 0.616,394 -0.388,395 -0.463,397 -0.913,398 -0.303,399 0.7,400 0.041,401 2.188,402 0.28,403 -0.515,404 -0.639,406 -1.243,407 -0.428,408 0.5,409 -0.474,410 1.555,411 0.026,412 -1,413 -1.262,415 -2.347,416 -1,417 0.293,418 -0.873,419 1.47,421 -1,422 -1.5,424 -2.46,425 -1.023,426 0.162,427 -1,428 1.364,429 -0.341,430 -1.299,431 -1.682,433 -3.544,434 -1.077,435 -0.251,436 -1.103,437 1,438 -0.748,439 -1.525,440 -1.956,442 -4.044,443 -1.4,444 -0.5,445 -1.499,446 0.93,447 -0.916,448 -1.908,449 -2.318,450 -0.68,451 -4.789,452 -1.855,453 -0.751,454 -1.843,455 0.693,456 -1,457 -2,458 -2.71,459 -0.915,460 -5.468,461 -1.932,462 7.381,463 0.492,464 0.332,465 0.022,466 19.5,467 1.3,468 10.5,469 0.7,470 9,471 0.6,472 8.999,473 0.6,474 15.419,475 0.642,476 11.49,477 0.766,478 4.146,479 0.276,480 3.108,481 0.207,482 0.142,484 0.271,490 0.629,491 0.995,492 0.524,493 0.85,494 0.549,495 0.801,496 0.425,497 1.071,498 0.613,499 1.022,500 0.447,501 0.991,502 0.759,503 1.173,504 0.787,505 1.021,506 0.772,507 1.075,508 1.01,509 0.863,510 1.291,511 1.03,512 0.844,513 1.031,514 0.636,515 0.999,516 0.869,517 0.953,518 0.489,519 0.925,520 1.518,521 0.943,522 1.396,523 1.013,524 1.356,525 1.025,526 1.442,527 1.049,528 1.459,529 1.183,530 1.118,531 1.123,532 2.071,533 0.862,534 1.319,535 0.993,536 2.81,537 1.011,538 3,540 1.333,541 0.75,542 0.764,543 0.181,544 0.182,545 0.139,546 0.037,547 0.016,548 1636,549 5760,550 2.032,551 37.5,552 2,553 7,560 1.528,561 1.915,562 2.848,563 -0.781,567 1,569 36.49,570 1.52,571 3.116,572 3.653,573 4.054,574 4.168,575 4.168,576 2.232,577 3.64,578 3.882,579 2.897,580 304.178,581 6.491,582 2492.66,584 1,586 1,587 110.039,588 1.338,589 3.843,590 0.188,592 0.063,593 0.039,594 0.055,595 0.014,596 0.017,597 0.02,598 0.012,599 0.016,600 0.423,601 0.83,602 1,603 0.648,604 58.773,605 -0.016,606 -0.042,607 0.012,608 -0.03,609 -0.05,610 0.001,611 0.362,612 -0.116,613 0.052,614 -0.163,615 0.19,616 -0.144,617 -0.029,618 -0.219,619 0.021,620 -0.096,621 -0.036,622 -0.124,623 -0.015,624 0.09,625 -0.058,626 0.005,627 0.046,628 0.015,629 0.047,630 -0.043,631 0.12,632 0.032,633 0.075,634 0.112,635 -0.282,636 0.005,637 -0.195,638 -0.009,639 -0.244,640 -0.065,641 -0.223,642 -0.102,643 -0.22,644 -0.162,645 -0.053,646 -0.123,647 -0.425,648 0.127,649 -0.263,650 0.023,651 -0.376,652 -0.018,653 2.086,654 3.844,655 0.8,656 7.84,657 1.017,658 1.102,659 3.206,660 10.278,661 0.732,662 2.833,663 3.091,664 3.258,665 3.434,666 3.611,667 3.401,668 3.332,669 3.332,670 3.219,671 2.944,672 4.177,673 0.704,674 220.66,675 2.833,676 4.317,677 5.118,678 5.953,679 6.772,680 7.61,681 8.436,682 9.275,683 10.105,684 10.944,699 5,704 1,706 6,720 24,723 9,724 1,725 16,727 25,728 12,729 6,730 1,731 5,732 5,733 1,735 2,736 2,737 1,748 1,749 11,750 1,753 1,754 3,759 1,761 2,763 3,765 1,768 9,769 2,771 3,772 1,780 1,781 2,789 2,803 1,805 2,806 1,813 2,818 1,821 15,828 1,830 1,839 1,840 8.3,843 1,845 1,847 7.833,848 4.31,849 3.361,850 1.362,851 1.787,852 1.315,853 0.965,854 2.997,855 7.46,856 3.135,857 3.651,858 4.09,859 4.529,860 5.004,861 4.895,862 5.004,863 5.339,864 5.508,865 5.45,866 0.8,867 19,868 5.491,869 -0.001,870 2.266,871 7.952,872 10.27,874 8.059,877 2.452,878 36.778,879 0.003,882 105.94,883 87.989,885 39.149,886 36.145,889 87.989,890 181.233,893 2.535,894 66.334,895 32.336,896 22.929,897 39.149,898 105.94,900 105.94,901 87.989,902 36.145,903 39.149,905 105.94,906 36.145,909 2.535,910 66.502,911 18.952,912 39.149,913 105.94,914 36.145,915 127.138,918 105.94,919 21.655,920 66.334,922 75.293,923 105.94,924 36.145,925 127.138,927 0.569,928 0.316,929 0.165,930 0.092,931 10,932 4,933 0.08,934 2,936 1,937 2.787,938 92.834,940 12,941 54.603,945 10.152,946 4.429,947 2.553,949 36.145,950 9.879,955 1.133,958 269.223,959 22,964 10.844,966 3.075,968 0.575,969 24.396,970 26.439,971 0.332,972 0.68,973 0.797,974 0.884,975 0.909,976 0.909,977 4.324,978 -0.388,979 5.069,980 0.839,981 3.761,982 4.331,983 2.324,984 5.778,985 3.67,986 5.51,987 -0.515,988 6.564,989 -0.913,990 3.219,991 3.922,993 6.447,994 3.029,995 6.789,996 -1,997 8.156,998 -1.243,999 5.252,1000 6.399,1001 3.207,1002 9.494,1003 5.081,1004 8.1,1005 -1,1006 9.803,1007 -2.347,1008 5.485,1009 6.737,1011 10.97,1012 5.196,1013 9.438,1014 -1.299,1015 11.487,1016 -2.46,1017 7.002,1018 8.698,1019 4.315,1020 13.515,1021 6.733,1022 10.795,1023 -1.525,1024 13.195,1025 -3.544,1026 7.623,1027 9.411,1029 15.349,1030 7.231,1031 12.168,1032 -1.908,1033 14.921,1034 -4.044,1035 8.897,1036 11.111,1037 5.487,1038 17.692,1039 8.51,1040 2.889,1041 -2,1042 16.661,1043 -4.789,1044 9.723,1045 12.039,1047 19.701,1048 9.22,1049 2.463,1050 8.872,1051 18.412,1052 -5.468,1053 10.878,1054 13.588,1055 6.677,1056 21.956,1057 10.362,1058 2.069,1059 6.885,1060 20.171,1061 3.708,1062 11.812,1063 14.648,1065 24.05,1066 11.193,1067 1.524,1068 5.679,1069 21.938,1070 3.382,1071 12.911,1072 16.106,1073 7.872,1074 26.266,1075 12.261,1076 1.338,1077 3.714,1078 23.71,1079 2.721,1080 13.903,1081 17.249,1083 28.403,1084 13.162,1085 1,1086 3,1087 25.488,1088 2.061,1089 14.976,1090 18.65,1091 9.068,1092 30.601,1093 14.192,1094 0.353,1095 2.136,1096 27.269,1097 1.687,1098 15.998,1099 19.847,1101 32.76,1102 15.133,1103 1671,1104 3241,1105 10.633,1106 17.574,1107 24,1108 24.542,1109 23.736,1110 23.434,1111 23.271,1112 31.062,1113 6.827,1114 62.248,1115 22.034,1116 5.073,1117 5.683,1118 5.895,1119 4.908,1120 4.889,1121 6.708,1122 3.638,1123 15.188,1124 4.719,1125 6.131,1126 1.5,1127 1.534,1128 1.483,1129 1.465,1130 1.454,1131 1.941,1132 0.427,1133 3.89,1134 1.377,1135 3.953,1136 3.976,1137 3.989,1138 3.891,1139 7.434,1140 3.884,1141 3.766,1142 3.775,1143 3.781,1144 3.66,1145 4.948,1146 3.666,1147 3.214,1148 3.247,1149 3.37,1150 3.077,1151 4.736,1152 3.078,1153 2.854,1154 2.925,1155 3.037,1156 2.741,1157 4.216,1158 2.724,1159 2.841,1160 2.853,1161 2.687,1162 2.735,1163 3.859,1164 2.715,1165 2.77,1166 2.775,1167 2.68,1168 2.476,1169 3.721,1170 2.531,1171 2.352,1172 2.448,1173 2.299,1174 2.127,1175 3.674,1176 2.095,1177 1.608,1178 1.802,1179 1.864,1180 1.275,1181 3.163,1182 1.213,1183 0.267,1184 0.23,1185 0.381,1186 0.239,1187 0.181,1188 4.268,1189 0.232,1190 3.683,1191 0.114,1192 6.093,1193 0.555,1194 3.824,1195 0.17,1196 2.889,1197 3.708,1198 1.819,1199 8.872,1200 2.719,1201 1.935,1202 1.91,1203 2.055,1204 2.017,1205 1.206,1206 2.031,1207 1.715,1208 1.702,1209 1.816,1210 1.849,1211 0.899,1212 1.838,1213 1.186,1214 1.147,1215 1.418,1216 1.366,1217 0.535,1218 1.381,1219 0.886,1220 0.821,1221 1.181,1222 1.062,1223 0.218,1224 1.107,1225 0.774,1226 0.755,1227 0.945,1228 0.951,1229 0.05,1230 0.933,1231 0.597,1232 0.599,1233 0.729,1234 0.913,1236 0.894,1237 0.349,1238 0.257,1239 0.664,1240 0.637,1242 0.679,1245 0.381,1246 0.133,1248 0.23,1249 3.497,1251 4.762,1253 6.229,1255 7.782,1257 9.375,1260 5.813,1265 0.67,1267 4.79,1273 16.891,1274 36.49,1275 74.778,1276 87.675,1277 97.284,1278 100.039,1279 100.039,1280 18.911,1281 5.673,1282 30.21,1283 30.21,1284 12,1285 11.512,1286 3.322,1287 2.807,1288 23.641,1289 37,1290 32,1291 0.324,1292 109.853,1293 197.49,1294 259.801,1295 1660,1296 4.2,1297 10.673,1298 0.712,1299 0.58,1300 11.173,1301 8.699,1302 7.254,1303 0.453,1304 0.31,1305 4.568,1306 6.796,1307 4.432,1308 3.684,1309 7.543,1310 4.958,1311 6.395,1312 0.305,1313 0.169,1314 6.766,1315 3.559,1316 4.97,1317 0.199,1318 0.097,1319 5.324,1320 2.421,1321 3.929,1322 0.131,1323 0.052,1324 4.282,1325 1.572,1326 3.085,1327 0.086,1328 0.029,1329 3.288,1330 1.04,1331 0.491,1332 48.093,1333 0.307,1334 15.256,1335 0.926,1336 74,1337 253.674,1338 97.348,1339 272.498,1340 353.23,1341 252,1342 83,1343 228.772,1344 100.026,1345 240.814,1346 348.88,1347 225,1348 4.301}
{0 CHEMBL16143,1 1.438,2 7.842,3 4.183,4 17.494,5 76.534,6 9.024,7 0.524,8 3.515,9 3.585,10 3.253,11 3.21,12 4.696,13 3.184,14 3.994,15 4.089,16 3.651,17 3.581,18 5.245,19 3.538,20 4.222,21 4.372,22 3.65,23 3.706,24 5.323,25 3.626,26 4.261,27 4.436,28 3.51,29 3.601,30 5.435,31 3.501,32 4.109,33 4.311,34 3.292,35 3.461,36 5.132,37 3.351,38 4.036,39 4.231,40 3.275,41 3.318,42 5.182,43 3.236,44 3.824,45 3.988,46 3.208,47 3.091,48 5.111,49 3.041,50 3.554,51 3.728,52 2.912,53 2.776,54 4.795,55 2.665,56 0.02,57 0.31,58 3.856,59 2.481,60 4.153,61 2.918,62 0.214,63 0.514,64 8.113,65 4.254,66 18.686,67 5.03,68 0.107,69 0.68,70 12.68,71 5.927,72 17.752,73 7.272,74 0.296,75 0.724,76 15.87,77 6.42,78 44.128,79 7.373,80 0.105,81 0.647,82 12.148,83 5.659,84 19.953,85 7.307,86 0.166,87 0.583,88 14.528,89 5.372,90 24.948,91 6.445,92 0.151,93 0.46,94 9.777,95 4.055,96 22.865,97 4.356,98 0.189,99 0.338,100 10.022,101 3.285,102 26.417,103 3.256,105 5,106 29,107 0.269,108 0.581,109 0.712,110 0.822,111 0.881,112 0.906,113 3.011,114 0.91,115 -5.29,116 -5.18,117 -4.84,120 53.3,122 1,135 2,136 1,139 1,140 7,141 3,153 1,165 15,167 1,168 4,176 20,182 4,190 20,195 4,203 16,207 4,215 12,220 6,227 8,231 6,239 6,245 2,253 4,266 3,270 397,271 12.93,272 12.93,273 12.93,274 12.93,275 12.93,276 10.983,277 10.563,278 7.686,279 13.201,280 10.376,281 10.376,282 10.376,283 10.376,284 10.376,285 7.519,286 12.15,287 3.652,288 10.851,289 3.468,290 1.806,291 1.105,292 0.517,293 0.2,294 0.067,295 3.693,299 1,301 1,302 1,303 323,304 2,307 139.166,311 72.869,313 1.042,314 15.742,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 40.333,326 149,327 4.505,328 3.751,329 6.522,330 4.059,331 3.061,332 4.433,333 1.819,334 10.267,335 3.056,336 4.198,337 3.132,338 6.058,339 3.786,340 2.818,341 3.594,342 0.915,343 8.717,344 2.733,345 3.581,346 2.973,347 5.205,348 3.112,349 2.191,350 2.911,351 0.68,352 6.319,353 2.064,354 3.421,355 2.445,356 4.929,357 2.88,358 1.966,359 2.676,361 5.621,362 1.648,363 3.118,364 1.913,365 4.227,366 2.618,367 1.618,368 2.427,370 3.858,371 1.618,372 2.937,373 1.618,374 4.068,375 2.419,376 1.432,377 1.935,379 3.608,380 1.391,381 2.767,382 1.276,383 3.592,384 2.268,385 1.268,386 1.885,388 2.825,389 1.266,390 2.355,391 1.038,392 3.348,393 1.906,394 0.913,395 1.284,397 2.132,398 0.901,399 1.571,400 0.938,401 2.945,402 1.301,403 0.336,404 0.387,406 0.798,407 0.304,408 1.201,409 0.687,410 2.376,411 0.739,412 -0.255,413 -0.33,415 -0.621,416 -0.228,417 0.882,418 0.077,419 2.358,420 0.382,421 -0.514,422 -0.629,424 -1.242,425 -0.386,426 0.833,427 -0.41,428 2.196,429 0.369,430 -0.618,431 -0.927,433 -1.478,434 -0.618,435 0.581,436 -0.618,437 2,438 0.157,439 -0.784,440 -1.13,442 -1.994,443 -0.733,444 0.421,445 -0.751,446 1.847,447 -0.134,448 -1.07,449 -1.531,451 -2.709,452 -0.971,453 0.09,454 -0.927,455 1.382,456 -0.311,457 -1.299,458 -1.655,460 -3.605,461 -1.223,462 9.381,463 0.494,464 0.435,465 0.023,466 26,467 1.368,468 14.5,469 0.763,470 11.5,471 0.605,472 12.2,473 0.642,474 18.819,475 0.627,476 16.716,477 0.88,478 5.368,479 0.283,480 3.869,481 0.204,482 0.112,484 0.32,490 0.609,491 0.909,492 0.531,493 0.804,494 0.543,495 0.765,496 0.411,497 0.985,498 0.617,499 0.958,500 0.452,501 0.933,502 0.699,503 1.079,504 0.818,505 1.029,506 0.696,507 1.033,508 0.985,509 1.004,510 0.928,511 1.026,512 1.134,513 1.091,514 0.555,515 1.099,516 0.628,517 1.01,518 0.695,519 1.05,520 1.063,521 0.972,522 0.944,523 0.995,524 1.046,525 0.939,526 1.512,527 1.075,528 0.826,529 0.933,530 1.494,531 0.915,532 2.071,533 0.917,534 1.528,535 0.895,536 1.992,537 0.992,538 3.5,539 0.012,540 2.222,541 1.125,542 1.009,543 0.382,544 0.285,545 0.214,546 0.139,547 0.046,548 3213,549 10347,550 2.113,551 36.7,552 2,553 9,560 1.604,561 2,562 2.974,563 -0.828,565 1,569 43.153,570 1.438,571 3.101,572 3.802,573 4.39,574 4.707,575 4.84,576 2.379,577 4.037,578 4.224,579 3.057,580 522.731,581 7.198,582 5053.11,584 1,585 1,586 1,587 147.207,588 1.324,589 4.189,590 0.167,591 0.012,592 0.077,593 0.039,594 0.044,595 0.019,596 0.015,597 0.013,598 0.015,599 0.011,600 0.413,601 0.83,602 1,603 0.565,604 81.437,605 -0.008,606 -0.005,607 0.017,608 -0.003,609 -0.05,610 0.021,611 0.346,612 -0.061,613 0.041,614 -0.112,615 0.164,616 -0.1,617 -0.014,618 -0.131,619 -0.039,620 -0.115,621 -0.001,622 -0.097,623 -0.025,624 -0.022,625 -0.076,626 -0.065,627 -0.021,628 -0.114,629 0.052,630 -0.112,631 0.076,632 -0.055,633 0.023,634 -0.023,635 -0.05,636 0.025,637 0.022,638 0.009,639 -0.01,640 0.09,641 -0.144,642 -0.078,643 0.084,644 0.046,645 -0.06,646 0.043,647 -0.379,648 0.082,649 -0.1,650 0.188,651 -0.324,652 0.019,653 2.041,654 4.729,655 0.842,656 11.058,657 1.009,658 1.095,659 4.061,660 16.492,661 0.745,662 3.091,663 3.401,664 3.664,665 3.912,666 4.143,667 4.094,668 4.143,669 4.234,670 4.304,671 4.127,672 4.673,673 0.714,674 270.72,675 3.091,676 4.615,677 5.46,678 6.33,679 7.191,680 8.064,681 8.931,682 9.805,683 10.674,684 11.549,698 2,699 7,704 1,706 11,720 30,723 14,724 2,725 21,727 32,728 16,729 10,730 3,731 7,732 5,733 1,735 3,736 4,737 1,748 1,749 15,750 1,753 1,754 3,759 1,761 2,763 3,765 1,768 11,769 2,771 3,772 1,780 0.667,781 2,789 3,793 1,803 1,805 2,806 1,813 2,818 1,821 19,828 1,830 1,839 1,840 6.7,843 1,845 1,847 9.5,848 5.476,849 4.167,850 1.765,851 3.105,852 1.469,853 1.013,854 3.199,855 9.728,856 3.418,857 4.034,858 4.62,859 5.207,860 5.773,861 5.993,862 6.34,863 6.733,864 7.116,865 7.023,866 1,867 29,868 6.988,870 2.981,871 7.822,872 13.234,874 10.854,877 2.322,878 44.111,879 0.001,882 129.482,883 112.088,885 39.149,886 36.145,889 112.088,890 204.776,893 2.535,894 85.286,895 32.336,896 28.075,897 39.149,898 129.482,900 129.482,901 112.088,902 36.145,903 39.149,905 129.482,906 36.145,909 2.535,910 90.601,911 18.952,912 39.149,913 129.482,914 36.145,915 151.236,918 129.482,919 26.801,920 85.286,922 75.293,923 129.482,924 36.145,925 151.236,927 0.579,928 0.339,929 0.186,930 0.103,931 15,932 6,933 0.063,934 2,935 1,936 1.125,937 3.159,938 141.167,939 0.125,940 16,941 78.711,945 12.154,946 5.001,947 2.458,948 2.317,949 36.145,950 14.194,955 1.104,958 316.863,959 29.5,964 11.729,966 3.319,968 0.354,969 30.28,970 32.854,971 0.293,972 0.632,973 0.775,974 0.895,975 0.959,976 0.986,977 4.632,978 0.913,979 5.434,980 2.825,981 4.078,982 4.718,983 2.324,984 6.225,985 4.012,986 5.853,987 0.336,988 6.978,989 2.132,990 3.611,991 4.511,993 7.081,994 3.487,995 7.165,996 -0.255,997 8.624,998 0.798,999 5.645,1000 6.955,1001 3.207,1002 10.18,1003 5.546,1004 8.513,1005 -0.514,1006 10.331,1007 -0.621,1008 5.994,1009 7.584,1011 11.877,1012 5.872,1013 9.891,1014 -0.618,1015 12.076,1016 -1.242,1017 7.498,1018 9.497,1019 4.315,1020 14.48,1021 7.387,1022 11.291,1023 -0.784,1024 13.849,1025 -1.478,1026 8.241,1027 10.555,1029 16.525,1030 8.126,1031 12.71,1032 -1.07,1033 15.641,1034 -1.994,1035 9.515,1036 12.229,1037 5.487,1038 18.949,1039 9.401,1040 3.061,1041 -1.299,1042 17.447,1043 -2.709,1044 10.448,1045 13.506,1047 21.144,1048 10.336,1049 2.818,1050 10.267,1051 19.265,1052 -3.605,1053 11.621,1054 15.072,1055 6.677,1056 23.5,1057 11.508,1058 2.191,1059 8.717,1060 21.091,1061 4.433,1062 12.644,1063 16.457,1065 25.761,1066 12.532,1067 1.966,1068 6.319,1069 22.924,1070 3.594,1071 13.774,1072 17.976,1073 7.872,1074 28.092,1075 13.661,1076 1.618,1077 5.621,1078 24.762,1079 2.911,1080 14.839,1081 19.413,1083 30.384,1084 14.727,1085 1.432,1086 3.858,1087 26.605,1088 2.676,1089 15.952,1090 20.912,1091 9.068,1092 32.707,1093 15.839,1094 1.268,1095 3.608,1096 28.451,1097 2.427,1098 17.038,1099 22.374,1101 35.015,1102 16.925,1103 3126,1104 5737,1105 14.216,1106 22.335,1107 31.62,1108 32.837,1109 32.073,1110 31.383,1111 31.207,1112 43.061,1113 6.827,1114 88.294,1115 29.965,1116 5.399,1117 5.751,1118 6.211,1119 5.145,1120 5.061,1121 7.433,1122 3.638,1123 17.134,1124 5.056,1125 7.358,1126 1.506,1127 1.564,1128 1.527,1129 1.494,1130 1.486,1131 2.051,1132 0.325,1133 4.204,1134 1.427,1135 4.098,1136 4.117,1137 4.058,1138 4.062,1139 7.433,1140 4.056,1141 3.819,1142 3.823,1143 3.923,1144 3.71,1145 4.964,1146 3.719,1147 3.473,1148 3.513,1149 3.481,1150 3.395,1151 4.887,1152 3.384,1153 3.209,1154 3.248,1155 3.324,1156 3.12,1157 4.347,1158 3.106,1159 2.986,1160 2.996,1161 2.992,1162 2.863,1163 4.192,1164 2.86,1165 2.842,1166 2.858,1167 2.79,1168 2.581,1169 3.89,1170 2.609,1171 2.664,1172 2.721,1173 2.556,1174 2.545,1175 3.78,1176 2.556,1177 2.559,1178 2.619,1179 2.519,1180 2.398,1181 3.431,1182 2.385,1183 0.215,1184 0.179,1185 0.311,1186 0.193,1187 0.146,1188 4.505,1189 0.211,1190 3.751,1191 0.087,1192 6.522,1193 0.489,1194 4.059,1195 0.146,1196 3.061,1197 4.433,1198 1.819,1199 10.267,1200 3.056,1201 2.087,1202 2.069,1203 2.171,1204 2.138,1205 1.34,1206 2.15,1207 1.76,1208 1.749,1209 1.859,1210 1.891,1211 1.003,1212 1.879,1213 1.484,1214 1.446,1215 1.656,1216 1.598,1217 0.7,1218 1.621,1219 1.203,1220 1.165,1221 1.403,1222 1.343,1223 0.54,1224 1.372,1225 0.934,1226 0.905,1227 1.158,1228 1.101,1229 0.251,1230 1.109,1231 0.704,1232 0.689,1233 0.948,1234 1.026,1235 0.06,1236 0.979,1237 0.678,1238 0.634,1239 0.871,1240 0.838,1242 0.878,1243 0.525,1244 0.48,1245 0.743,1246 0.753,1248 0.782,1249 3.761,1251 5.069,1253 6.589,1255 8.206,1257 9.869,1260 5.648,1265 0.543,1267 4.902,1273 21.418,1274 43.153,1275 93.026,1276 114.045,1277 131.697,1278 141.207,1279 145.207,1280 24.847,1281 6.623,1282 30.21,1283 30.21,1284 18,1285 12.09,1286 3.907,1287 3.248,1288 27.752,1289 53,1290 52,1291 0.263,1292 134.974,1293 238.15,1294 321.096,1295 5970,1296 3.3,1297 13.242,1298 0.697,1299 0.571,1300 13.742,1301 10.854,1302 9.237,1303 0.44,1304 0.303,1305 5.979,1306 8.768,1307 5.81,1308 4.804,1309 9.526,1310 6.368,1311 8.291,1312 0.286,1313 0.163,1314 8.699,1315 4.74,1316 6.938,1317 0.183,1318 0.088,1319 7.2,1320 3.332,1321 5.831,1322 0.119,1323 0.048,1324 6.101,1325 2.338,1326 4.78,1327 0.077,1328 0.027,1329 4.983,1330 1.664,1331 0.398,1332 59.992,1333 0.265,1334 18.756,1335 0.757,1336 100,1337 303.674,1338 123.348,1339 324.639,1340 432.57,1341 302,1342 117,1343 293.772,1344 132.406,1345 308.326,1346 451.59,1347 290,1348 4.032}
{0 CHEMBL16220,1 1.549,2 6.143,3 2.818,4 7.941,5 55.483,6 9.84,7 0.4,8 3.171,9 3.228,10 2.972,11 2.849,12 4.432,13 2.838,14 3.608,15 3.677,16 3.362,17 3.166,18 5,19 3.145,20 3.787,21 3.928,22 3.36,23 3.246,24 5,25 3.181,26 3.684,27 3.823,28 3.316,29 3.08,30 5.045,31 3,32 3.511,33 3.667,34 2.935,35 2.855,36 4.695,37 2.756,38 3.264,39 3.44,40 2.522,41 2.476,42 4.512,43 2.383,44 2.774,45 2.965,46 1.724,47 1.768,48 4.163,49 1.713,50 1.896,51 2.054,52 0.974,53 0.844,54 3.455,55 0.885,56 0.049,57 0.215,58 1.953,59 1.656,60 3.839,61 1.782,62 0.229,63 0.337,64 4.338,65 2.717,66 13.677,67 2.884,68 0.171,69 0.429,70 7.501,71 3.774,72 18.572,73 4.294,74 0.245,75 0.371,76 9.266,77 3.551,78 27.803,79 3.831,80 0.197,81 0.31,82 10.326,83 3.158,84 16.494,85 3.418,86 0.165,87 0.249,88 8.009,89 2.49,90 12.693,91 2.686,92 0.139,93 0.155,94 5.07,95 1.506,96 17.683,97 1.433,98 0.066,99 0.059,100 1.52,101 0.527,102 11.549,103 0.365,105 5,106 20,107 0.322,108 0.584,109 0.712,110 0.807,111 0.834,112 0.834,113 2.734,114 0.9,115 -4.16,116 -4.11,117 -3.88,120 52.4,135 2,136 1,139 1,140 5,141 1,153 1,165 9,167 1,168 4,176 11,182 3,190 10,195 4,203 8,207 3,215 5,220 3,227 2,231 2,245 1,270 176,271 9.414,272 9.414,273 9.414,274 9.414,275 9.414,276 8.104,277 4.55,278 5.703,279 9.646,280 7.405,281 7.405,282 7.405,283 7.405,284 7.405,285 5.449,286 3.657,287 2.715,288 7.814,289 2.843,290 1.584,291 0.97,292 0.512,293 0.381,294 0.381,295 3.378,299 1,301 1,302 1,303 179,304 1.414,307 82.831,313 0.898,314 13.563,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 30.333,326 86,327 4.401,328 3.677,329 6.458,330 3.963,331 3.011,332 3.943,333 1.819,334 9.972,335 2.877,336 3.754,337 3.158,338 5.261,339 3.339,340 2.371,341 3.153,342 0.915,343 6.566,344 2.278,345 3.416,346 2.482,347 4.761,348 2.886,349 1.923,350 2.66,352 5.075,353 1.827,354 2.869,355 1.7,356 4.028,357 2.388,358 1.493,359 1.951,361 3.511,362 1.264,363 2.649,364 1.204,365 3.499,366 2.09,367 1.11,368 1.552,370 2.628,371 1.063,372 2.5,373 1,374 3.247,375 2,376 1,377 1.5,379 2.136,380 1,381 1.529,382 0.937,383 2.615,384 0.967,390 0.777,391 0.459,392 2.359,393 0.304,394 -0.514,395 -0.589,397 -1.242,398 -0.361,399 0.565,400 -0.455,401 1.905,402 0.197,403 -0.795,404 -1.087,406 -1.776,407 -0.801,408 0.5,409 -0.814,410 1.555,412 -1,413 -1.5,415 -2.347,416 -1,417 0.182,418 -1,419 1.372,420 -0.222,421 -1.217,422 -1.575,424 -3.257,425 -1.065,426 -0.207,427 -1.01,428 1.028,429 -0.748,430 -1.512,431 -1.888,433 -4.043,434 -1.346,435 -0.5,436 -1.774,437 1,438 -0.88,439 -1.868,440 -2.391,442 -4.789,443 -1.815,444 -0.637,445 -1.885,446 0.713,447 -1,448 -2,449 -2.728,450 -0.915,451 -5.723,452 -1.922,453 -0.797,454 -2,455 0.198,456 -1.084,457 -2,458 -3,459 -1.819,460 -6.711,461 -2,462 6.881,463 0.491,464 0.315,465 0.023,466 19,467 1.357,468 10.5,469 0.75,470 8.5,471 0.607,472 7.607,473 0.543,474 14.119,475 0.672,476 11.228,477 0.802,478 4.065,479 0.29,480 2.706,481 0.193,482 0.152,484 0.291,490 0.638,491 0.954,492 0.494,493 0.804,494 0.564,495 0.749,496 0.44,497 1.03,498 0.591,499 0.992,500 0.465,501 0.957,502 0.798,503 1.023,504 0.734,505 0.87,506 0.791,507 0.915,508 0.904,509 1.061,510 1.123,511 1.075,512 0.815,513 1.061,514 1.211,515 0.981,516 1.574,517 1.168,518 0.767,519 1.141,520 1.308,521 1.052,522 1.413,523 1.193,524 1.023,525 1.172,526 1.879,527 0.865,528 1.277,529 1.001,530 2.571,531 1.055,532 2.756,533 0.8,534 0.882,535 0.673,536 4.978,537 0.84,538 2.5,540 1.556,541 1,542 0.524,543 0.278,544 0.2,545 0.047,546 0.02,548 1263,549 4741,550 2.034,551 33.3,553 7,560 1.51,561 1.909,562 2.667,563 -0.766,567 1,569 32.533,570 1.549,571 2.808,572 3.423,573 3.88,574 4.011,575 4.011,576 2.156,577 3.182,578 3.782,579 2.697,580 245.393,581 6.308,582 1879.74,584 1,587 92.239,588 1.379,589 3.74,590 0.167,592 0.078,593 0.053,594 0.035,595 0.025,596 0.029,597 0.016,598 0.02,600 0.422,601 1,602 1,603 0.673,604 52.267,605 -0.024,606 -0.048,607 0.01,608 -0.034,609 -0.076,610 -0.002,611 0.362,612 -0.111,613 0.041,614 -0.177,615 0.174,616 -0.169,617 -0.04,618 -0.075,619 0.094,620 0.059,621 -0.028,622 0.048,623 0.049,624 -0.126,625 0.039,626 -0.083,627 0.098,628 -0.073,629 -0.208,630 -0.039,631 -0.258,632 -0.129,633 -0.103,634 -0.106,635 -0.209,636 -0.079,637 -0.205,638 -0.141,639 -0.049,640 -0.098,641 -0.409,642 0.177,643 -0.226,644 0.083,645 -0.385,646 0.045,647 -0.69,648 0.307,649 -0.116,650 0.399,651 -0.943,652 0.179,653 2.102,654 3.823,655 0.857,656 6.653,657 1.024,658 1.096,659 2.934,660 8.609,661 0.753,662 2.773,663 3.045,664 3.258,665 3.466,666 3.611,667 3.466,668 3.332,669 3.219,670 2.944,671 2.708,672 3.697,673 0.732,674 206.63,675 2.773,676 4.263,677 5.081,678 5.932,679 6.77,680 7.627,681 8.47,682 9.33,683 10.175,684 11.035,699 5,704 1,706 6,720 21,723 9,724 1,725 15,727 22,728 11,729 6,730 1,731 5,732 5,733 1,735 2,736 2,737 1,749 11,753 1,754 3,759 1,761 2,763 3,765 1,768 7,769 2,771 3,772 1,780 1,781 2,789 2,803 1,805 2,806 1,813 2,818 1,821 14,830 1,839 1,840 9.5,843 1,845 1,847 7.333,848 3.81,849 3.139,850 1.175,851 1.84,852 1.33,853 0.972,854 2.482,855 7.416,856 3.091,857 3.624,858 4.139,859 4.65,860 5.112,861 5.177,862 5.339,863 5.508,864 5.45,865 5.551,866 1,867 19,868 5.111,869 0.002,870 2.125,871 8.02,872 9.454,873 0.001,874 7.394,875 -0.001,877 2.52,878 35.278,879 0.003,882 82.398,883 85.455,885 39.149,886 36.145,889 85.455,890 157.691,894 66.334,895 32.336,896 22.929,897 39.149,898 82.398,900 82.398,901 85.455,902 36.145,903 39.149,905 82.398,906 36.145,910 66.502,911 18.952,912 39.149,913 82.398,914 36.145,915 124.603,918 82.398,919 19.121,920 66.334,922 75.293,923 82.398,924 36.145,925 124.603,927 0.571,928 0.328,929 0.179,930 0.095,931 10,932 4,933 0.045,934 1,936 1,937 2.634,938 86.441,940 12,941 49.303,945 9.189,946 3.782,947 1.946,949 36.145,950 9.52,955 0.932,958 243.146,959 21,964 10.823,966 3.012,968 0.422,969 21.513,970 23.024,971 0.353,972 0.639,973 0.779,974 0.883,975 0.913,976 0.913,977 4.284,978 -0.514,979 5.043,981 3.714,982 4.304,983 2.229,984 5.802,985 3.617,986 5.482,987 -0.795,988 6.569,989 -1.242,990 3.219,991 3.922,993 6.629,994 3.029,995 6.772,996 -1,997 8.202,998 -1.776,999 5.242,1000 6.416,1001 3.19,1002 9.722,1003 5.069,1004 8.099,1005 -1.217,1006 9.898,1007 -2.347,1008 5.565,1009 6.833,1011 11.42,1012 5.301,1013 9.458,1014 -1.512,1015 11.637,1016 -3.257,1017 7.069,1018 8.791,1019 4.312,1020 14.02,1021 6.814,1022 10.84,1023 -1.868,1024 13.406,1025 -4.043,1026 7.793,1027 9.623,1029 16.07,1030 7.454,1031 12.241,1032 -2,1033 15.198,1034 -4.789,1035 9.067,1036 11.312,1037 5.487,1038 18.492,1039 8.721,1040 3.011,1041 -2,1042 17.005,1043 -5.723,1044 9.987,1045 12.376,1047 20.687,1048 9.568,1049 2.371,1050 9.972,1051 18.826,1052 -6.711,1053 11.159,1054 13.921,1055 6.677,1056 23.038,1057 10.719,1058 1.923,1059 6.566,1060 20.655,1061 3.943,1062 12.175,1063 15.117,1065 25.293,1066 11.671,1067 1.493,1068 5.075,1069 22.493,1070 3.153,1071 13.304,1072 16.584,1073 7.872,1074 27.615,1075 12.768,1076 1.11,1077 3.511,1078 24.336,1079 2.66,1080 14.364,1081 17.856,1083 29.895,1084 13.772,1085 1,1086 2.628,1087 26.184,1088 1.951,1089 15.475,1090 19.279,1091 9.068,1092 32.205,1093 14.845,1095 2.136,1096 28.035,1097 1.552,1098 16.557,1099 20.594,1101 34.496,1102 15.876,1103 1310,1104 2633,1105 9.94,1106 15.813,1107 22.634,1108 23.177,1109 22.508,1110 22.012,1111 21.815,1112 29.515,1113 5.467,1114 59.777,1115 20.619,1116 5.198,1117 5.677,1118 6.26,1119 5.047,1120 5.011,1121 6.943,1122 3.638,1123 16.684,1124 4.877,1125 5.723,1126 1.509,1127 1.545,1128 1.501,1129 1.467,1130 1.454,1131 1.968,1132 0.364,1133 3.985,1134 1.375,1135 3.963,1136 3.98,1137 4.012,1138 3.905,1139 7.434,1140 3.902,1141 3.692,1142 3.703,1143 3.707,1144 3.573,1145 4.97,1146 3.581,1147 3.064,1148 3.067,1149 3.37,1150 2.955,1151 4.697,1152 2.956,1153 2.854,1154 2.925,1155 2.876,1156 2.735,1157 4.205,1158 2.715,1159 2.798,1160 2.798,1161 2.687,1162 2.583,1163 3.837,1164 2.587,1165 2.617,1166 2.652,1167 2.559,1168 2.41,1169 3.674,1170 2.446,1171 1.65,1172 1.802,1173 2.069,1174 1.38,1175 3.584,1176 1.322,1177 1.602,1178 1.775,1179 1.377,1180 1.217,1181 2.785,1182 1.144,1183 0.293,1184 0.245,1185 0.431,1186 0.264,1187 0.201,1188 4.401,1189 0.263,1190 3.677,1191 0.121,1192 6.458,1193 0.665,1194 3.963,1195 0.192,1196 3.011,1197 3.943,1198 1.819,1199 9.972,1200 2.877,1201 1.939,1202 1.92,1203 2.038,1204 2.014,1205 1.13,1206 2.023,1207 1.638,1208 1.624,1209 1.747,1210 1.787,1211 0.783,1212 1.774,1213 1.003,1214 0.988,1215 1.181,1216 1.14,1217 0.248,1218 1.139,1219 0.886,1220 0.821,1221 1.144,1222 1.062,1223 0.218,1224 1.107,1225 0.638,1226 0.632,1227 0.751,1228 0.949,1230 0.904,1231 0.544,1232 0.523,1233 0.728,1234 0.765,1236 0.781,1239 0.381,1240 0.133,1242 0.23,1245 0.292,1246 0.078,1248 0.145,1249 3.434,1251 4.71,1253 6.201,1255 7.786,1257 9.417,1260 5.797,1267 4.773,1273 15.364,1274 32.533,1275 58.978,1276 71.874,1277 81.484,1278 84.239,1279 84.239,1280 16.515,1281 5.576,1282 30.21,1283 30.21,1284 12,1285 11.589,1286 3.322,1287 2.807,1288 21.267,1289 30,1290 28,1291 0.364,1292 100.26,1293 180.19,1294 236.395,1295 1393,1296 4.8,1297 9.966,1298 0.712,1299 0.571,1300 10.466,1301 7.992,1302 6.771,1303 0.451,1304 0.3,1305 4.111,1306 6.313,1307 3.998,1308 3.321,1309 7.06,1310 4.501,1311 5.957,1312 0.298,1313 0.158,1314 6.328,1315 3.151,1316 4.753,1317 0.19,1318 0.086,1319 5.085,1320 2.154,1321 3.951,1322 0.127,1323 0.047,1324 4.372,1325 1.47,1326 2.937,1327 0.082,1328 0.025,1329 3.141,1330 0.889,1331 0.535,1332 45.194,1333 0.317,1334 14.029,1335 1.099,1336 70,1337 249.674,1338 93.348,1339 268.171,1340 349.35,1341 248,1342 80,1343 228.772,1344 97.026,1345 240.068,1346 350.58,1347 225,1348 5.886}
{0 CHEMBL1628078,1 1.47,2 15,3 4.946,4 24.464,5 130.583,6 6.726,7 0.324,8 4.293,9 4.423,10 3.78,11 3.818,12 5.281,13 3.776,14 4.907,15 5.091,16 4.171,17 4.3,18 5.879,19 4.227,20 5.266,21 5.494,22 4.296,23 4.549,24 6.078,25 4.432,26 5.451,27 5.707,28 4.206,29 4.622,30 6.244,31 4.455,32 5.492,33 5.793,34 4.029,35 4.558,36 6.116,37 4.346,38 5.353,39 5.664,40 3.905,41 4.372,42 6,43 4.167,44 5.172,45 5.473,46 3.816,47 4.212,48 5.866,49 4.041,50 5.029,51 5.302,52 3.789,53 4.122,54 5.816,55 3.971,56 0.147,57 0.988,58 15.795,59 6.554,60 13.401,61 9.17,62 0.314,63 1.679,64 30.215,65 11.843,66 53.755,67 16.754,68 0.324,69 2.272,70 43.745,71 16.741,72 45.002,73 24.285,74 0.52,75 2.539,76 53.572,77 19.722,78 74.302,79 29.087,80 0.468,81 2.463,82 56.451,83 21.005,84 56.94,85 31.242,86 0.506,87 2.118,88 49.617,89 17.127,90 56.576,91 26.286,92 0.43,93 1.795,94 41.608,95 13.608,96 48.311,97 20.914,98 0.376,99 1.599,100 35.773,101 12.084,102 46.524,103 18.07,105 21,106 54,107 0.233,108 0.558,109 0.796,110 0.888,111 0.897,112 0.897,113 3.532,114 0.992,115 -5.83,116 -5.69,117 -5.3,120 38.8,121 1,122 6,123 3,124 1,125 1,126 2,128 1,140 5,141 2,142 2,143 1,145 1,161 2,165 18,167 1,168 4,171 1,173 3,176 26,181 1,182 6,186 1,187 5,190 29,194 2,195 4,200 2,203 22,207 2,210 2,212 5,215 14,220 2,223 2,225 7,227 8,231 4,236 4,239 6,245 6,248 1,250 4,253 6,258 4,261 2,263 2,266 6,270 2053,271 22.488,272 22.488,273 22.488,274 22.488,275 22.488,276 20.76,277 29.955,278 12.909,279 22.912,280 18.154,281 18.154,282 18.154,283 18.154,284 18.154,285 15.496,286 38.188,287 5.969,288 18.728,289 4.596,290 2.551,291 1.05,292 0.47,293 0.411,294 0.411,295 4.241,302 1,303 1090,304 3.937,306 57.215,307 302.259,310 96.681,311 221.76,313 2.485,314 27.991,317 0.75,318 0.67,319 1,320 1,321 1,322 1,323 1,324 0.92,325 71,326 495,327 4.654,328 3.778,329 7.884,330 4.64,331 3.644,332 3.979,333 2.612,334 14.701,335 3.63,336 4.35,337 3.678,338 6.744,339 4.096,340 3.1,341 3.951,342 0.86,343 10.975,344 3.089,345 4.255,346 3.304,347 6.035,348 3.745,349 2.784,350 3.619,351 0.4,352 8.41,353 2.672,354 3.773,355 2.796,356 5.929,357 3.513,358 2.54,359 3.235,360 0.4,361 8.227,362 2.476,363 3.743,364 2.672,365 5.425,366 3.312,367 2.373,368 2.992,370 6.79,371 2.225,372 3.347,373 2.398,374 5.298,375 3.117,376 2.158,377 2.453,379 6.724,380 2.063,381 3.029,382 2.131,383 5.123,384 2.876,385 1.884,386 2.137,388 5.595,389 1.865,390 2.977,391 2.036,392 4.905,393 2.811,394 1.847,395 2.083,397 5.242,398 1.777,399 2.854,400 1.933,401 4.415,402 2.474,403 1.491,404 1.86,406 3.915,407 1.464,408 2.619,409 1.542,410 3.823,411 2.35,412 1.373,413 1.633,415 3.17,416 1.34,417 2.5,418 1.404,419 3.766,420 2.169,421 1.186,422 1.5,424 2.764,425 1.164,426 2.369,427 1.125,428 3.588,429 2.04,430 1.046,431 1.358,433 2.612,434 1.039,435 2.18,436 1.003,437 3.441,438 1.958,439 1,440 1.157,442 2.275,443 0.956,444 1.766,445 1,446 3.414,447 1.661,448 0.676,449 0.724,451 1.579,452 0.664,453 1.628,454 1,455 3.035,456 1.41,457 0.511,458 0.556,460 1.03,461 0.454,462 15.6,463 0.473,464 0.853,465 0.026,466 37.25,467 1.129,468 16,469 0.485,470 21.25,471 0.644,472 37.481,473 1.136,474 37.2,475 0.555,476 25.034,477 0.759,478 6.316,479 0.191,480 9.675,481 0.293,482 0.107,483 0.032,484 0.314,490 0.565,491 1.265,492 0.862,493 1.132,494 0.497,495 1.051,496 0.726,497 1.104,498 0.927,499 1.056,500 0.381,501 1.023,502 0.628,503 1.104,504 0.982,505 1.129,506 0.394,507 1.105,508 0.664,509 1.089,510 1.101,511 1.176,512 0.601,513 1.195,514 0.442,515 0.949,516 0.896,517 1.046,518 0.37,519 1.041,520 0.462,521 0.947,522 0.837,523 0.955,524 0.262,525 0.95,526 0.782,527 0.873,528 0.899,529 0.867,530 0.543,531 0.887,532 0.899,533 1.007,534 0.982,535 0.998,536 0.803,537 1.002,538 7,539 0.198,540 5.111,541 2.667,542 2.241,543 1.104,544 0.762,545 0.517,546 0.347,547 0.237,548 17548,549 42982,550 2.123,551 50.7,552 16,553 13,555 1,556 2,558 2,560 1.746,561 1.99,562 3.802,563 0.162,569 98.488,570 1.47,571 3.515,572 5.016,573 5.596,574 5.655,575 5.655,576 3.366,577 4.658,578 5.007,579 4.003,580 2113.66,581 8.739,582 32475,587 406.428,588 1.521,589 4.972,590 0.189,591 0.007,592 0.095,593 0.045,594 0.045,595 0.027,596 0.021,597 0.015,598 0.011,599 0.008,600 0.463,601 0.17,602 0.75,603 0.767,604 177.933,605 0.165,606 0.019,607 0.073,608 0.041,609 0.052,610 0.04,611 0.067,612 0.054,613 0.021,614 0.051,615 0.222,616 0.033,617 0.006,618 -0.019,619 -0.047,620 -0.066,621 0.08,622 -0.064,623 -0.001,624 -0.077,625 -0.162,626 -0.15,627 0.032,628 -0.174,629 0.078,630 -0.042,631 0.031,632 -0.047,633 0.046,634 -0.021,635 0.119,636 -0.046,637 0.105,638 0.009,639 0.096,640 0.046,641 -0.03,642 0.058,643 0.067,644 0.08,645 -0.008,646 0.089,647 -0.037,648 -0.042,649 -0.01,650 -0.021,651 -0.059,652 -0.015,653 2.425,654 3.77,655 0.697,656 43.954,657 0.995,658 1.132,659 4.599,660 21.152,661 0.639,662 3.638,663 4.007,664 4.344,665 4.625,666 4.898,667 5.069,668 5.273,669 5.447,670 5.606,671 5.694,672 8.382,673 0.599,674 450.64,675 3.638,676 5.209,677 6.094,678 7,679 7.905,680 8.822,681 9.737,682 10.662,683 11.585,684 12.514,685 6,687 1,690 1,695 1,696 1,699 6,700 1,704 5,706 12,714 1,715 1,718 1,720 67,723 14,724 1,725 37,727 71,728 26,729 11,730 3,731 3,735 5,736 11,741 1,742 1,744 1,745 7,746 3,748 7,749 11,750 15,751 3,754 2,756 1,759 2,768 34,769 6,770 2,771 7,775 4,780 0.4,781 3,785 1,788 1,789 4,792 1,793 2,808 1,813 2,817 2,821 33,828 8,829 2,830 1,833 4,835 1,840 4.5,845 1,846 2,847 16.583,848 12.233,849 7.181,850 4.344,851 2.269,852 1.261,853 0.955,854 6.325,855 10.98,856 3.829,857 4.382,858 4.879,859 5.341,860 5.814,861 6.01,862 6.244,863 6.361,864 6.647,865 6.83,866 1,867 59,868 12.264,870 5.34,871 7.634,872 24.26,874 21.445,877 2.134,878 70.417,882 376.675,883 112.255,884 58.477,886 61.747,889 112.255,890 438.422,891 58.477,892 25.378,893 19.419,894 65.392,895 46.567,896 34.419,897 2.328,898 364.904,899 50.747,900 376.675,901 170.732,902 61.747,905 353.133,906 34.542,907 50.747,909 55.302,910 74.964,911 40.466,913 376.675,914 120.224,915 112.255,918 376.675,919 36.118,920 81.807,921 36.022,922 78.532,923 376.675,924 120.224,925 112.255,927 0.59,928 0.359,929 0.188,930 0.101,931 28,932 12,933 0.099,934 7,935 3,936 1.261,937 4.453,938 313.34,939 0.261,940 23,941 164.465,945 22.615,946 9.23,947 4.239,949 114.554,950 11.183,951 4.134,955 4.748,957 36.022,958 609.154,959 45,961 -0.425,964 21.54,969 66.643,970 75.849,971 0.242,972 0.579,973 0.827,974 0.922,975 0.932,976 0.932,977 5.118,978 1.847,979 6.116,980 5.595,981 4.691,982 5.069,983 2.662,984 7.02,985 4.642,986 6.313,987 1.491,988 7.74,989 5.242,990 4.443,991 4.945,992 2.361,993 8.323,994 4.393,995 7.64,996 1.373,997 9.483,998 3.915,999 6.405,1000 7.174,1001 4.173,1002 11.449,1003 6.33,1004 9.001,1005 1.186,1006 11.303,1007 3.17,1008 7.022,1009 7.843,1010 4.506,1011 13.656,1012 6.957,1013 10.399,1014 1.046,1015 13.176,1016 2.764,1017 8.488,1018 9.587,1019 5.95,1020 16.421,1021 8.41,1022 11.821,1023 1,1024 15.09,1025 2.612,1026 9.483,1027 10.595,1028 6.556,1029 18.945,1030 9.416,1031 13.26,1032 0.676,1033 17.034,1034 2.275,1035 10.792,1036 12.149,1037 7.795,1038 21.636,1039 10.721,1040 3.644,1041 0.511,1042 19.003,1043 1.579,1044 11.949,1045 13.318,1046 8.548,1047 24.264,1048 11.885,1049 3.1,1050 14.701,1051 20.99,1052 1.03,1053 13.218,1054 14.786,1055 9.67,1056 26.944,1057 13.152,1058 2.784,1059 10.975,1060 22.993,1061 3.979,1062 14.443,1063 16.039,1064 10.509,1065 29.607,1066 14.38,1067 2.54,1068 8.41,1069 25.007,1070 3.951,1071 15.708,1072 17.462,1073 11.563,1074 32.288,1075 15.645,1076 2.373,1077 8.227,1078 27.031,1079 3.619,1080 16.963,1081 18.763,1082 12.452,1083 34.965,1084 16.9,1085 2.158,1086 6.79,1087 29.063,1088 3.235,1089 18.233,1090 20.162,1091 13.468,1092 37.648,1093 18.169,1094 1.884,1095 6.724,1096 31.101,1097 2.992,1098 19.503,1099 21.492,1100 14.386,1101 40.331,1102 19.438,1103 16398,1104 25944,1105 24.849,1106 42.807,1107 56.15,1108 58.029,1109 58.247,1110 55.917,1111 56.007,1112 67.313,1113 8.545,1114 169.477,1115 54.47,1116 5.654,1117 5.778,1118 7.565,1119 5.696,1120 5.644,1121 6.979,1122 4.612,1123 23.127,1124 5.63,1125 16.062,1126 1.518,1127 1.568,1128 1.574,1129 1.511,1130 1.514,1131 1.819,1132 0.231,1133 4.58,1134 1.472,1135 4.115,1136 4.151,1137 4.035,1138 4.046,1139 7.815,1140 4.038,1141 3.964,1142 4.002,1143 3.931,1144 3.812,1145 6.999,1146 3.814,1147 3.888,1148 3.923,1149 3.81,1150 3.779,1151 4.879,1152 3.797,1153 3.617,1154 3.683,1155 3.529,1156 3.421,1157 4.849,1158 3.422,1159 3.509,1160 3.557,1161 3.412,1162 3.304,1163 4.492,1164 3.309,1165 3.399,1166 3.47,1167 3.256,1168 3.255,1169 4.358,1170 3.234,1171 3.366,1172 3.423,1173 3.196,1174 3.006,1175 4.156,1176 3.076,1177 3.2,1178 3.276,1179 3,1180 2.992,1181 3.931,1182 2.982,1183 0.126,1184 0.102,1185 0.213,1186 0.125,1187 0.098,1188 4.654,1189 0.108,1190 3.778,1191 0.071,1192 7.884,1193 0.397,1194 4.64,1195 0.098,1196 3.644,1197 3.979,1198 2.612,1199 14.701,1200 3.63,1201 2.052,1202 2.024,1203 2.184,1204 2.135,1205 1.621,1206 2.153,1207 1.86,1208 1.821,1209 1.972,1210 2.08,1211 1.299,1212 2.032,1213 1.799,1214 1.765,1215 1.941,1216 1.933,1217 1.192,1218 1.94,1219 1.656,1220 1.596,1221 1.872,1222 1.847,1223 1.071,1224 1.855,1225 1.476,1226 1.403,1227 1.741,1228 1.732,1229 0.96,1230 1.724,1231 1.407,1232 1.345,1233 1.68,1234 1.612,1235 0.916,1236 1.635,1237 1.299,1238 1.232,1239 1.603,1240 1.57,1241 0.853,1242 1.547,1243 1.156,1244 1.104,1245 1.541,1246 1.49,1247 0.62,1248 1.489,1249 4.317,1251 5.673,1252 2.398,1253 7.241,1254 4.844,1255 8.91,1256 7.05,1257 10.636,1259 4.274,1265 9.203,1266 7.114,1267 5.461,1270 2.825,1272 0.358,1273 40.132,1274 98.488,1275 235.487,1276 336.089,1277 374.918,1278 378.918,1279 378.918,1280 58.906,1281 8.71,1282 92,1283 92,1284 29,1285 13.018,1286 3.907,1287 3.17,1288 48.3,1289 163,1290 178,1291 0.142,1292 241.878,1293 426.65,1294 581.944,1295 86821,1297 23.001,1298 0.697,1299 0.592,1300 23.001,1301 19.55,1302 15.991,1303 0.432,1304 0.331,1305 12.096,1306 15.38,1307 11.798,1308 9.712,1309 15.991,1310 12.239,1311 14.651,1312 0.271,1313 0.189,1314 14.651,1315 10.194,1316 13.086,1317 0.172,1318 0.115,1319 13.086,1320 8.714,1321 10.872,1322 0.108,1323 0.07,1324 10.872,1325 7.057,1326 8.94,1327 0.067,1328 0.041,1329 8.94,1330 5.473,1331 0.231,1332 100.325,1333 0.201,1334 31.22,1335 0.372,1336 182,1337 457.163,1338 196.273,1339 439.117,1340 599.15,1341 410,1342 221,1343 446.474,1344 235.028,1345 448.566,1346 652.31,1347 421,1348 4.886}
{0 CHEMBL163002,1 1.569,2 14.613,3 2.552,4 6.514,5 114.689,6 7.337,7 0.375,8 4.124,9 4.244,10 3.646,11 3.62,12 5.298,13 3.604,14 4.645,15 4.812,16 3.954,17 3.964,18 5.827,19 3.915,20 4.931,21 5.143,22 4.007,23 4.083,24 6.087,25 4.014,26 5.004,27 5.226,28 3.958,29 4.013,30 6.206,31 3.963,32 4.921,33 5.121,34 4.039,35 3.967,36 6.384,37 3.933,38 4.921,39 5.146,40 3.929,41 3.981,42 6.146,43 3.918,44 4.946,45 5.188,46 3.86,47 3.92,48 6.172,49 3.866,50 4.756,51 4.947,52 3.825,53 3.865,54 6.173,55 3.804,56 0.074,57 0.804,58 11.807,59 5.234,60 13.209,61 6.819,62 0.478,63 1.229,64 22.072,65 8.351,66 55.028,67 11.455,68 0.615,69 1.506,70 31.526,71 10.46,72 84.622,73 14.598,74 0.747,75 1.459,76 35.945,77 10.262,78 124.772,79 14.101,80 1.074,81 1.36,82 32.773,83 9.58,84 187.059,85 13.229,86 0.64,87 1.413,88 32.272,89 9.765,90 93.977,91 13.793,92 0.753,93 1.336,94 34.824,95 9.706,96 132.627,97 13.532,98 0.841,99 1.184,100 27.134,101 8.589,102 144.75,103 11.644,105 38,106 41,107 0.257,108 0.542,109 0.689,110 0.77,111 0.831,112 0.87,113 3.471,114 0.934,115 -2.45,116 -2.48,117 -2.43,120 39.7,121 2,122 1,126 1,128 3,140 10,141 2,149 1,153 2,154 1,165 13,167 1,168 1,171 4,173 3,176 14,182 5,185 3,186 2,187 3,190 8,195 8,200 3,203 1,206 4,207 6,210 3,212 6,215 2,220 8,223 2,224 1,225 5,227 2,231 8,236 4,239 4,244 3,245 4,248 2,250 5,253 5,258 5,261 1,263 4,266 4,270 1842,271 20.56,272 20.56,273 20.56,274 20.56,275 20.56,276 18.565,277 20.161,278 12.538,279 20.783,280 15.712,281 15.712,282 15.712,283 15.712,284 15.712,285 12.636,286 18.772,287 5.93,288 15.998,289 4.289,290 2.546,291 1.651,292 1.156,293 0.785,294 0.543,295 4.136,301 1,302 1,303 931,304 5.099,307 271.637,313 2.4,314 43.044,317 1,318 0.83,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.86,325 68.5,326 453,327 4.046,328 3.816,329 6.041,330 3.854,331 2.871,332 3.46,333 2.206,334 8.584,335 2.812,336 3.946,337 3.694,338 5.811,339 3.69,340 2.706,341 3.448,342 1.985,343 7.94,344 2.659,345 3.905,346 3.566,347 5.521,348 3.548,349 2.563,350 3.207,351 1.924,352 7.341,353 2.524,354 3.809,355 3.181,356 5.358,357 3.499,358 2.503,359 3.003,360 1.38,361 7.002,362 2.489,363 3.542,364 2.76,365 5.017,366 3.176,367 2.202,368 2.714,369 0.815,370 5.997,371 2.132,372 3.334,373 2.672,374 4.944,375 3.085,376 2.093,377 2.426,378 0.358,379 5.695,380 2.048,381 2.916,382 2.097,383 4.059,384 2.489,385 1.499,386 2.08,387 0.193,388 3.445,389 1.48,390 2.86,391 1.985,392 3.643,393 2.431,394 1.434,395 1.99,396 0.031,397 3.111,398 1.429,399 2.537,400 1.916,401 3.587,402 2.276,403 1.287,404 1.5,406 2.988,407 1.258,408 2.5,409 1.743,410 3.456,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1.491,419 3.247,420 2,421 1,422 1.472,424 2.136,425 1,426 2.234,427 1.258,428 3.247,429 1.892,430 0.881,431 1.049,433 2.088,434 0.875,435 2.042,436 1,437 2.951,438 1.491,439 0.521,440 0.61,442 1.163,443 0.476,444 1.77,445 1,446 2.745,447 1.446,448 0.377,449 0.557,451 0.559,452 0.413,453 1.137,454 0.549,455 2.594,456 0.856,457 -0.15,458 -0.182,460 -0.367,461 -0.15,462 14.367,463 0.463,464 0.702,465 0.023,466 37,467 1.194,468 18,469 0.581,470 19,471 0.613,472 26.289,473 0.848,474 34.833,475 0.601,476 31.908,477 1.029,478 7.876,479 0.254,480 7.009,481 0.226,482 0.162,484 0.278,490 0.705,491 1.335,492 0.815,493 1.168,494 0.556,495 1.028,496 0.606,497 1.225,498 0.918,499 1.141,500 0.573,501 1.104,502 0.916,503 1.045,504 1.045,505 1.088,506 0.92,507 1.086,508 1.531,509 0.981,510 1.141,511 0.935,512 1.489,513 0.946,514 1.136,515 1.022,516 0.984,517 0.931,518 1.08,519 0.931,520 1.133,521 1.043,522 1.046,523 1.026,524 1.158,525 1.011,526 1.498,527 0.821,528 1.028,529 0.768,530 1.612,531 0.789,532 1.12,533 1.062,534 1.134,535 1.041,536 1.167,537 1.088,538 6.5,539 0.186,540 2.889,541 1.625,542 1.582,543 0.764,544 0.652,545 0.571,546 0.276,547 0.261,548 13980,549 41206,550 1.942,551 46.6,553 15,555 1,556 3,558 8,560 1.733,561 1.806,562 3.828,563 0.876,564 1,565 1,569 90.974,570 1.569,571 3.312,572 4.207,573 4.702,574 5.073,575 5.315,576 3.284,577 4.309,578 4.925,579 4.008,580 1863.72,581 8.583,582 28924.6,584 1,586 1,587 339.763,588 1.438,589 4.874,590 0.203,591 0.007,592 0.07,593 0.04,594 0.042,595 0.019,596 0.018,597 0.016,598 0.008,599 0.009,600 0.432,601 0.33,602 0.88,603 0.778,604 166.203,605 -0.056,606 -0.083,607 0.014,608 -0.033,609 -0.04,610 0.003,611 0.2,612 -0.085,613 -0.016,614 -0.088,615 0.057,616 -0.105,617 0.012,618 0.014,619 -0.083,620 -0.111,621 -0.056,622 -0.118,623 -0.247,624 -0.02,625 -0.1,626 -0.011,627 -0.196,628 -0.017,629 0.205,630 -0.048,631 0.054,632 0.01,633 0.244,634 -0.002,635 -0.064,636 -0.037,637 -0.044,638 -0.084,639 -0.06,640 -0.062,641 -0.222,642 0.098,643 0.03,644 0.144,645 -0.182,646 0.145,647 0.116,648 -0.063,649 -0.129,650 -0.066,651 0.119,652 -0.14,653 2.41,654 5.345,655 0.387,656 38.293,657 1.009,658 1.13,659 1.223,660 1.495,661 0.645,662 3.497,663 3.738,664 3.871,665 3.97,666 4.094,667 3.892,668 3.912,669 3.932,670 3.85,671 3.784,672 8.492,673 0.62,674 425.53,675 3.497,676 4.99,677 5.778,678 6.597,679 7.399,680 8.219,681 9.026,682 9.845,683 10.655,684 11.473,685 5.2,692 3,699 10,704 2,706 12,720 58,723 16,724 2,725 32,727 59,728 23,729 12,730 2,731 10,735 2,736 2,741 2,748 4,749 16,750 7,754 4,759 4,761 1,763 3,765 1,768 27,769 8,770 3,771 8,775 3,780 1,781 5,789 2,795 1,800 2,810 1,813 2,817 2,821 31,828 2,829 3,830 1,833 3,840 8.6,843 4,845 1,847 17.167,848 10.5,849 7.139,850 3.326,851 1.614,852 1.241,853 0.91,854 9.883,855 8.301,856 3.761,857 4.19,858 4.538,859 4.869,860 5.285,861 4.926,862 5.051,863 5.249,864 5.326,865 5.149,866 0.9,867 41,868 11.55,870 4.813,871 8.091,872 21.24,874 16.451,877 2.591,878 80.333,881 1,882 282.506,883 153.507,884 54.032,886 111.58,889 153.507,890 394.086,891 54.032,892 17.65,893 61.159,894 94.762,895 133.184,896 17.371,897 6.763,898 270.735,900 282.506,901 207.539,902 111.58,905 188.338,906 205.748,909 78.81,910 117.305,911 11.424,913 282.506,914 165.612,915 153.507,918 282.506,919 29.67,920 123.837,921 54.032,922 111.58,923 282.506,924 165.612,925 153.507,927 0.565,928 0.317,929 0.154,930 0.084,931 14,932 8,933 0.186,934 11,936 1,937 4.31,938 241.216,940 12,941 145.58,945 24.258,946 12.63,947 8.708,949 165.612,950 18.414,955 1.726,957 54.032,958 601.625,959 42,964 47.826,966 0.659,968 -1.794,969 58.545,970 65.524,971 0.268,972 0.565,973 0.718,974 0.803,975 0.866,976 0.907,977 4.956,978 1.434,979 5.727,980 3.445,981 4.419,982 4.875,983 3.321,984 6.415,985 4.384,986 6.101,987 1.287,988 7.22,989 3.111,990 3.892,991 4.407,992 2.624,993 7.066,994 3.857,995 7.347,996 1,997 8.809,998 2.988,999 5.905,1000 6.808,1001 4.406,1002 10.075,1003 5.829,1004 8.619,1005 1,1006 10.45,1007 2.136,1008 6.155,1009 7.052,1010 4.373,1011 11.486,1012 6.081,1013 9.916,1014 0.881,1015 12.124,1016 2.136,1017 7.632,1018 8.981,1019 5.679,1020 13.995,1021 7.52,1022 11.231,1023 0.521,1024 13.821,1025 2.088,1026 8.245,1027 9.546,1028 5.975,1029 15.736,1030 8.132,1031 12.559,1032 0.377,1033 15.532,1034 1.163,1035 9.484,1036 11.267,1037 7.048,1038 18.041,1039 9.338,1040 2.871,1041 -0.15,1042 17.255,1043 0.559,1044 10.285,1045 12.011,1046 7.528,1047 19.95,1048 10.131,1049 2.706,1050 8.584,1051 18.985,1052 -0.367,1053 11.409,1054 13.611,1055 8.475,1056 22.162,1057 11.229,1058 2.563,1059 7.94,1060 20.723,1061 3.46,1062 12.31,1063 14.472,1064 9.065,1065 24.162,1066 12.118,1067 2.503,1068 7.341,1069 22.466,1070 3.448,1071 13.379,1072 15.99,1073 9.94,1074 26.33,1075 13.164,1076 2.202,1077 7.002,1078 24.214,1079 3.207,1080 14.337,1081 16.934,1082 10.597,1083 28.383,1084 14.104,1085 2.093,1086 5.997,1087 25.965,1088 3.003,1089 15.38,1090 18.39,1091 11.432,1092 30.53,1093 15.126,1094 1.499,1095 5.695,1096 27.72,1097 2.714,1098 16.369,1099 19.399,1100 12.131,1101 32.615,1102 16.095,1103 13895,1104 23997,1105 20.572,1106 37.426,1107 47.134,1108 49.408,1109 47.568,1110 45.93,1111 45.875,1112 58.034,1113 17.783,1114 120.367,1115 45.19,1116 5.019,1117 5.816,1118 5.843,1119 4.928,1120 4.871,1121 6.46,1122 3.954,1123 15.019,1124 4.812,1125 17.785,1126 1.473,1127 1.544,1128 1.486,1129 1.435,1130 1.434,1131 1.814,1132 0.556,1133 3.761,1134 1.412,1135 3.953,1136 3.988,1137 3.876,1138 3.878,1139 7.453,1140 3.871,1141 3.905,1142 3.934,1143 3.831,1144 3.84,1145 7.438,1146 3.833,1147 3.798,1148 3.844,1149 3.724,1150 3.597,1151 7.429,1152 3.621,1153 3.659,1154 3.705,1155 3.579,1156 3.453,1157 7.423,1158 3.473,1159 3.501,1160 3.55,1161 3.402,1162 3.309,1163 4.78,1164 3.315,1165 3.345,1166 3.365,1167 3.252,1168 3.09,1169 4.746,1170 3.12,1171 3.037,1172 3.081,1173 2.928,1174 2.825,1175 4.392,1176 2.833,1177 3,1178 3.064,1179 2.867,1180 2.787,1181 4.23,1182 2.819,1183 0.126,1184 0.119,1185 0.189,1186 0.12,1187 0.09,1188 4.046,1189 0.108,1190 3.816,1191 0.069,1192 6.041,1193 0.268,1194 3.854,1195 0.088,1196 2.871,1197 3.46,1198 2.206,1199 8.584,1200 2.812,1201 1.925,1202 1.895,1203 2.057,1204 2.024,1205 1.235,1206 2.034,1207 1.904,1208 1.876,1209 2.033,1210 1.997,1211 1.133,1212 2.008,1213 1.712,1214 1.663,1215 1.894,1216 1.939,1217 1.058,1218 1.927,1219 1.588,1220 1.539,1221 1.798,1222 1.819,1223 0.96,1224 1.808,1225 1.459,1226 1.404,1227 1.706,1228 1.68,1229 0.874,1230 1.686,1231 1.238,1232 1.206,1233 1.478,1234 1.526,1235 0.613,1236 1.503,1237 0.974,1238 0.92,1239 1.267,1240 1.24,1241 0.32,1242 1.259,1243 0.937,1244 0.894,1245 1.234,1246 1.232,1247 0.255,1248 1.236,1249 4.174,1251 5.434,1253 6.866,1255 8.367,1257 9.9,1259 2.978,1265 0.427,1266 7.537,1267 5.077,1270 -2.516,1273 35.96,1274 90.974,1275 192.119,1276 244.014,1277 272.743,1278 294.253,1279 308.253,1280 108.941,1281 6.687,1282 113.6,1283 113.6,1284 12,1285 12.057,1286 4.087,1287 3.459,1288 73.361,1289 158,1290 152,1291 0.218,1292 227.698,1293 410.49,1294 547.342,1295 7266,1297 22.64,1298 0.73,1299 0.566,1300 22.64,1301 17.538,1302 14.884,1303 0.465,1304 0.311,1305 9.814,1306 14.278,1307 9.547,1308 7.988,1309 14.884,1310 9.959,1311 12.817,1312 0.313,1313 0.173,1314 12.817,1315 7.099,1316 9.927,1317 0.211,1318 0.095,1319 9.927,1320 4.483,1321 7.114,1322 0.137,1323 0.052,1324 7.114,1325 2.72,1326 5.516,1327 0.093,1328 0.029,1329 5.516,1330 1.736,1331 0.356,1332 93.878,1333 0.22,1334 30.138,1335 0.559,1336 146,1337 509.676,1338 164.118,1339 479.651,1340 619.05,1341 444,1342 161,1343 416.006,1344 177.349,1345 418.279,1346 596.88,1347 391,1348 5.658}
{0 CHEMBL16433,1 1.52,2 7,3 3.274,4 10.72,5 60.084,6 9.194,7 0.375,8 3.286,9 3.355,10 3.03,11 2.946,12 4.492,13 2.923,14 3.75,15 3.847,16 3.407,17 3.272,18 5.054,19 3.232,20 3.944,21 4.102,22 3.331,23 3.341,24 5.078,25 3.254,26 3.94,27 4.137,28 3.152,29 3.134,30 5.175,31 3.038,32 3.614,33 3.807,34 2.925,35 2.93,36 4.772,37 2.855,38 3.552,39 3.707,40 2.844,41 2.801,42 4.837,43 2.738,44 3.266,45 3.443,46 2.625,47 2.492,48 4.512,49 2.399,50 2.763,51 2.955,52 2.195,53 2.044,54 3.909,55 1.855,56 0.034,57 0.259,58 3.009,59 2.066,60 4.237,61 2.351,62 0.225,63 0.415,64 6.636,65 3.47,66 17.464,67 3.987,68 0.136,69 0.52,70 10.381,71 4.656,72 17.037,73 5.574,74 0.335,75 0.516,76 13.971,77 4.839,78 45.572,79 5.405,80 0.112,81 0.384,82 7.822,83 3.411,84 15.906,85 4.212,86 0.192,87 0.331,88 9.513,89 3.14,90 22.614,91 3.225,92 0.146,93 0.251,94 6.296,95 2.367,96 17.666,97 2.468,98 0.114,99 0.131,100 6.864,101 1.641,102 13.571,103 1.771,105 5,106 21,107 0.307,108 0.629,109 0.737,110 0.818,111 0.841,112 0.841,113 2.794,114 0.93,115 -4.44,116 -4.37,117 -4.12,120 50,122 1,135 2,136 1,139 1,140 5,141 1,153 1,165 10,167 1,168 4,176 12,182 4,190 10,195 4,203 7,207 4,215 6,220 4,227 4,231 2,239 3,253 2,266 1,270 213,271 10.069,272 10.069,273 10.069,274 10.069,275 10.069,276 8.657,277 10.563,278 6.145,279 10.339,280 7.911,281 7.911,282 7.911,283 7.911,284 7.911,285 5.89,286 12.15,287 2.962,288 8.386,289 3.065,290 1.469,291 0.932,292 0.531,293 0.417,294 0.417,295 3.444,299 1,301 1,302 1,303 219,304 1.732,307 94.568,313 0.933,314 14.251,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 32.333,326 105,327 4.237,328 3.75,329 6.093,330 3.864,331 2.889,332 3.648,333 1.819,334 8.872,335 2.823,336 3.862,337 2.998,338 5.321,339 3.435,340 2.463,341 3.377,342 0.915,343 6.885,344 2.403,345 3.508,346 2.788,347 4.924,348 2.923,349 2.069,350 2.711,351 0.68,352 5.679,353 1.67,354 2.99,355 2.069,356 4.141,357 2.521,358 1.524,359 2.1,361 3.714,362 1.506,363 2.825,364 1.481,365 3.587,366 2.321,367 1.338,368 1.846,370 3,371 1.296,372 2.5,373 1,374 3.247,375 2,376 1,377 1.5,379 2.136,380 1,381 1.556,382 0.958,383 2.93,384 1.314,385 0.353,386 0.394,388 0.839,389 0.317,390 1.1,391 0.745,392 2.359,393 0.616,394 -0.388,395 -0.473,397 -0.913,398 -0.308,399 0.701,400 0.041,401 2.188,402 0.328,403 -0.515,404 -0.653,406 -1.243,407 -0.43,408 0.5,409 -0.486,410 1.555,412 -1,413 -1.434,415 -2.347,416 -0.871,417 0.467,418 -0.859,419 1.47,420 -0.09,421 -1,422 -1.5,424 -2.46,425 -1,426 0.076,427 -1,428 1.364,429 -0.312,430 -1.299,431 -1.627,433 -3.544,434 -1.21,435 -0.262,436 -1.104,437 1,438 -0.709,439 -1.525,440 -2,442 -4.044,443 -1.398,444 -0.5,445 -1.496,446 0.93,447 -0.926,448 -1.908,449 -2.153,450 -0.68,451 -4.789,452 -1.881,453 -0.671,454 -1.844,455 0.693,456 -1,457 -2,458 -2.735,459 -0.915,460 -5.468,461 -1.916,462 7.381,463 0.492,464 0.332,465 0.022,466 19.5,467 1.3,468 10.5,469 0.7,470 9,471 0.6,472 8.875,473 0.592,474 15.419,475 0.642,476 11.614,477 0.774,478 4.146,479 0.276,480 3.108,481 0.207,482 0.142,484 0.271,490 0.629,491 0.995,492 0.524,493 0.85,494 0.549,495 0.801,496 0.425,497 1.071,498 0.613,499 1.022,500 0.461,501 0.991,502 0.754,503 1.195,504 0.854,505 1.114,506 0.756,507 1.118,508 1.105,509 0.877,510 0.902,511 0.91,512 1.261,513 0.961,514 0.719,515 1.021,516 0.546,517 0.888,518 0.83,519 0.881,520 1.56,521 0.973,522 1.266,523 1.049,524 1.518,525 1.034,526 1.521,527 0.997,528 1.01,529 0.841,530 1.491,531 0.955,532 1.76,533 0.736,534 2.445,535 1.079,536 1.466,537 1.104,538 3,540 1.333,541 0.75,542 0.764,543 0.181,544 0.182,545 0.139,546 0.037,547 0.016,548 1636,549 5804,550 2.032,551 37.5,552 2,553 7,560 1.528,561 1.915,562 2.848,563 -0.781,567 1,569 36.49,570 1.52,571 3.116,572 3.653,573 4.054,574 4.168,575 4.168,576 2.232,577 3.64,578 3.882,579 2.897,580 304.178,581 6.491,582 2492.66,584 1,586 1,587 110.039,588 1.338,589 3.843,590 0.188,592 0.063,593 0.039,594 0.055,595 0.014,596 0.017,597 0.02,598 0.012,599 0.016,600 0.423,601 0.83,602 1,603 0.648,604 58.773,605 -0.016,606 -0.042,607 0.012,608 -0.03,609 -0.05,610 0.001,611 0.362,612 -0.116,613 0.052,614 -0.163,615 0.176,616 -0.144,617 -0.023,618 -0.242,619 -0.049,620 -0.194,621 -0.019,622 -0.169,623 -0.031,624 0.103,625 0.029,626 0.075,627 -0.013,628 0.052,629 0.035,630 -0.042,631 0.167,632 0.05,633 0.06,634 0.124,635 -0.285,636 -0.013,637 -0.223,638 -0.075,639 -0.222,640 -0.093,641 -0.25,642 -0.029,643 0.032,644 0.157,645 -0.187,646 0.028,647 -0.388,648 0.166,649 -0.32,650 0.127,651 -0.289,652 0.015,653 2.036,654 4.393,655 0.8,656 7.84,657 1.017,658 1.102,659 3.206,660 10.278,661 0.732,662 2.833,663 3.091,664 3.258,665 3.434,666 3.611,667 3.401,668 3.332,669 3.332,670 3.219,671 2.944,672 4.177,673 0.704,674 220.66,675 2.833,676 4.317,677 5.118,678 5.953,679 6.772,680 7.61,681 8.436,682 9.275,683 10.105,684 10.944,699 5,704 1,706 6,720 24,723 9,724 1,725 16,727 25,728 12,729 6,730 1,731 5,732 5,733 1,735 2,736 2,737 1,748 1,749 11,750 1,753 1,754 3,759 1,761 2,763 3,765 1,768 9,769 2,771 3,772 1,780 1,781 2,789 2,803 1,805 2,806 1,813 2,818 1,821 15,828 1,830 1,839 1,840 8.3,843 1,845 1,847 7.833,848 4.31,849 3.361,850 1.362,851 1.9,852 1.335,853 0.965,854 2.997,855 7.573,856 3.135,857 3.651,858 4.073,859 4.529,860 4.983,861 4.876,862 5.009,863 5.33,864 5.533,865 5.579,866 0.8,867 19,868 5.5,869 -0.001,870 2.276,871 7.952,872 10.27,874 8.059,877 2.452,878 36.778,879 0.003,882 105.94,883 87.989,885 39.149,886 36.145,889 87.989,890 181.233,893 2.535,894 66.334,895 32.336,896 22.929,897 39.149,898 105.94,900 105.94,901 87.989,902 36.145,903 39.149,905 105.94,906 36.145,909 2.535,910 66.502,911 18.952,912 39.149,913 105.94,914 36.145,915 127.138,918 105.94,919 21.655,920 66.334,922 75.293,923 105.94,924 36.145,925 127.138,927 0.569,928 0.316,929 0.165,930 0.092,931 10,932 4,933 0.08,934 2,936 1,937 2.787,938 92.834,940 12,941 54.603,945 10.152,946 4.429,947 2.553,949 36.145,950 9.746,955 1.076,958 269.223,959 22,964 11.393,966 3.28,968 0.369,969 24.396,970 26.439,971 0.332,972 0.68,973 0.797,974 0.884,975 0.909,976 0.909,977 4.324,978 -0.388,979 5.069,980 0.839,981 3.761,982 4.331,983 2.324,984 5.778,985 3.67,986 5.51,987 -0.515,988 6.564,989 -0.913,990 3.219,991 3.922,993 6.447,994 3.029,995 6.789,996 -1,997 8.156,998 -1.243,999 5.252,1000 6.379,1001 3.207,1002 9.494,1003 5.101,1004 8.097,1005 -1,1006 9.803,1007 -2.347,1008 5.485,1009 6.688,1011 10.97,1012 5.272,1013 9.429,1014 -1.299,1015 11.487,1016 -2.46,1017 7.002,1018 8.652,1019 4.315,1020 13.515,1021 6.811,1022 10.78,1023 -1.525,1024 13.195,1025 -3.544,1026 7.623,1027 9.325,1029 15.349,1030 7.397,1031 12.145,1032 -1.908,1033 14.921,1034 -4.044,1035 8.897,1036 11.039,1037 5.487,1038 17.692,1039 8.675,1040 2.889,1041 -2,1042 16.661,1043 -4.789,1044 9.723,1045 11.922,1047 19.701,1048 9.474,1049 2.463,1050 8.872,1051 18.412,1052 -5.468,1053 10.878,1054 13.487,1055 6.677,1056 21.956,1057 10.623,1058 2.069,1059 6.885,1060 20.171,1061 3.648,1062 11.812,1063 14.503,1065 24.05,1066 11.533,1067 1.524,1068 5.679,1069 21.938,1070 3.377,1071 12.911,1072 15.972,1073 7.872,1074 26.266,1075 12.619,1076 1.338,1077 3.714,1078 23.71,1079 2.711,1080 13.903,1081 17.075,1083 28.403,1084 13.587,1085 1,1086 3,1087 25.488,1088 2.1,1089 14.976,1090 18.482,1091 9.068,1092 30.601,1093 14.643,1094 0.353,1095 2.136,1096 27.269,1097 1.846,1098 15.998,1099 19.643,1101 32.76,1102 15.642,1103 1671,1104 3255,1105 10.633,1106 17.574,1107 23.706,1108 24.536,1109 23.736,1110 23.457,1111 23.271,1112 31.149,1113 6.827,1114 62.248,1115 22.026,1116 5.127,1117 5.75,1118 5.895,1119 4.95,1120 4.889,1121 6.648,1122 3.638,1123 15.188,1124 4.823,1125 6.131,1126 1.482,1127 1.533,1128 1.483,1129 1.466,1130 1.454,1131 1.947,1132 0.427,1133 3.89,1134 1.377,1135 3.954,1136 3.978,1137 3.967,1138 3.889,1139 7.433,1140 3.884,1141 3.765,1142 3.774,1143 3.806,1144 3.66,1145 4.96,1146 3.667,1147 3.189,1148 3.228,1149 3.422,1150 3.093,1151 4.748,1152 3.077,1153 2.942,1154 2.93,1155 2.905,1156 2.735,1157 4.2,1158 2.744,1159 2.854,1160 2.925,1161 2.74,1162 2.724,1163 3.862,1164 2.715,1165 2.7,1166 2.728,1167 2.687,1168 2.475,1169 3.674,1170 2.517,1171 2.318,1172 2.426,1173 2.294,1174 2.096,1175 3.651,1176 2.055,1177 1.68,1178 1.802,1179 1.886,1180 1.413,1181 3.166,1182 1.336,1183 0.265,1184 0.234,1185 0.381,1186 0.241,1187 0.181,1188 4.237,1189 0.228,1190 3.75,1191 0.114,1192 6.093,1193 0.555,1194 3.864,1195 0.176,1196 2.889,1197 3.648,1198 1.819,1199 8.872,1200 2.823,1201 1.936,1202 1.911,1203 2.057,1204 2.02,1205 1.204,1206 2.033,1207 1.715,1208 1.702,1209 1.815,1210 1.846,1211 0.898,1212 1.837,1213 1.174,1214 1.135,1215 1.387,1216 1.327,1217 0.537,1218 1.357,1219 0.886,1220 0.821,1221 1.181,1222 1.076,1223 0.218,1224 1.107,1225 0.801,1226 0.794,1227 0.965,1228 1.062,1229 0.053,1230 1.012,1231 0.594,1232 0.583,1233 0.791,1234 0.851,1236 0.866,1237 0.338,1238 0.233,1239 0.71,1240 0.627,1242 0.683,1245 0.381,1246 0.133,1248 0.23,1249 3.497,1251 4.762,1253 6.229,1255 7.782,1257 9.375,1260 5.553,1265 0.57,1267 4.79,1273 16.891,1274 36.49,1275 74.778,1276 87.675,1277 97.284,1278 100.039,1279 100.039,1280 19.631,1281 5.673,1282 30.21,1283 30.21,1284 12,1285 11.512,1286 3.322,1287 2.807,1288 23.641,1289 37,1290 32,1291 0.324,1292 109.853,1293 197.49,1294 259.801,1295 1660,1296 4.2,1297 10.673,1298 0.712,1299 0.58,1300 11.173,1301 8.699,1302 7.254,1303 0.453,1304 0.31,1305 4.568,1306 6.785,1307 4.433,1308 3.683,1309 7.543,1310 4.958,1311 6.395,1312 0.305,1313 0.171,1314 6.804,1315 3.587,1316 4.97,1317 0.199,1318 0.092,1319 5.232,1320 2.308,1321 3.929,1322 0.131,1323 0.05,1324 4.198,1325 1.502,1326 3.085,1327 0.086,1328 0.029,1329 3.288,1330 1.031,1331 0.491,1332 48.093,1333 0.307,1334 15.256,1335 0.926,1336 74,1337 253.674,1338 97.348,1339 272.447,1340 353.21,1341 252,1342 83,1343 228.772,1344 98.406,1345 240.656,1346 348.66,1347 225,1348 4.119}
{0 CHEMBL16637,1 1.542,2 6.083,3 3.154,4 9.95,5 49.191,6 8.115,8 3.203,9 3.298,10 2.826,11 2.759,12 4.299,13 2.717,14 3.735,15 3.899,16 3.19,17 3.067,18 4.918,19 2.993,20 3.928,21 4.159,22 3.183,23 3.148,24 4.923,25 3.023,26 3.853,27 4.077,28 3.05,29 2.99,30 4.977,31 2.836,32 3.587,33 3.827,34 2.545,35 2.728,36 4.474,37 2.555,38 3.373,39 3.57,40 2.361,41 2.479,42 4.48,43 2.331,44 3.146,45 3.375,46 1.644,47 2.047,48 4.22,49 1.863,50 2.333,51 2.575,52 1.04,53 1.217,54 3.611,55 1.128,56 0.025,57 0.272,58 4.329,59 2.34,60 3.891,61 2.877,62 0.241,63 0.422,64 9.994,65 3.871,66 22.491,67 4.943,68 0.161,69 0.476,70 13.474,71 4.792,72 22.229,73 6.248,74 0.31,75 0.392,76 16.785,77 4.44,78 38.305,79 5.538,80 0.17,81 0.312,82 12.395,83 3.446,84 19,85 4.45,86 0.165,87 0.241,88 9.323,89 2.595,90 21.188,91 3.138,92 0.198,93 0.166,94 9.201,95 1.957,96 23.228,97 2.312,98 0.066,99 0.077,100 2.615,101 0.724,102 11.463,103 0.9,105 13,106 15,107 0.328,108 0.643,109 0.807,110 0.863,111 0.863,112 0.863,113 2.595,114 1.1,115 -3.85,116 -3.81,117 -3.62,120 39.1,121 1,122 3,135 2,136 1,139 1,153 1,165 6,167 1,168 4,176 6,182 3,190 6,195 3,203 5,207 2,215 3,220 2,227 2,231 1,245 1,270 122,271 7.922,272 7.922,273 7.922,274 7.922,275 7.922,276 7.3,277 6.9,278 4.959,279 8.155,280 5.876,281 5.876,282 5.876,283 5.876,284 5.876,285 4.861,286 4.217,287 2.309,288 6.29,289 2.982,290 1.501,291 0.728,292 0.468,293 0.468,294 0.468,295 3.195,299 1,301 1,302 1,303 140,304 2.121,307 39.23,313 0.944,314 13.144,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 26.333,326 73,327 4.241,328 3.679,329 6.057,330 3.773,331 2.853,332 3.658,333 1.819,334 8.7,335 2.623,336 3.537,337 3.15,338 4.96,339 3.133,340 2.136,341 2.733,342 0.915,343 5.822,344 2.104,345 2.806,346 2.177,347 4.189,348 2.512,349 1.595,350 1.762,352 3.831,353 1.451,354 2.516,355 1.403,356 3.446,357 2.236,358 1.313,359 1.464,361 2.6,362 1.129,363 1.799,364 0.986,365 2.659,366 1.468,367 0.482,368 0.567,370 0.868,371 0.46,372 1.104,373 0.783,374 2.359,375 0.814,376 -0.17,377 -0.198,379 -0.295,380 -0.147,381 0.681,382 0.123,383 2,384 0.285,385 -0.515,386 -0.593,388 -1.242,389 -0.371,390 0.193,391 -0.45,392 1.375,393 0.03,394 -1,395 -1.11,397 -2.011,398 -1.026,400 -0.867,401 1.117,402 -0.346,403 -1.306,404 -1.525,406 -3.176,407 -1.08,408 -0.288,409 -1.118,410 1,411 -0.748,412 -1.524,413 -1.807,415 -4.042,416 -1.401,417 -0.773,418 -1.66,419 0.699,420 -0.874,421 -1.865,422 -2.244,423 -0.915,424 -4.825,425 -1.824,426 -0.815,427 -1.846,428 0.138,429 -1.084,430 -2,431 -2.707,432 -1.819,433 -6.231,434 -1.918,462 5.881,463 0.49,464 0.264,465 0.022,466 11.5,467 0.958,468 4.5,469 0.375,470 7,471 0.583,472 9.256,473 0.771,474 13.919,475 0.605,476 6.028,477 0.502,478 2.164,479 0.18,480 3.572,481 0.298,482 0.263,484 0.255,490 0.644,491 1.304,492 0.59,493 1.067,494 0.539,495 1.013,496 0.397,497 1.165,498 0.576,499 1.051,500 0.377,501 1.002,502 0.692,503 1.014,504 0.628,505 0.822,506 0.665,507 0.829,508 1.014,509 0.886,510 1.236,511 1.022,512 0.835,513 0.988,514 0.928,515 0.927,516 1.239,517 1.066,518 0.666,519 1.037,520 1.444,521 1.12,522 1.382,523 1.187,524 1.423,525 1.23,526 1.948,527 0.708,528 1.817,529 1.093,530 1.9,531 1.143,532 1.59,533 0.918,534 0.648,535 0.77,536 2.811,537 0.881,538 2.5,540 1.333,541 0.688,542 0.533,543 0.201,544 0.101,545 0.059,548 742,549 2489,550 1.861,551 47.8,552 9,553 2,560 1.454,561 1.714,562 2.642,563 -0.727,567 1,569 35.459,570 1.542,571 3.022,572 3.795,573 4.056,574 4.056,575 4.056,576 2.189,577 3.252,578 3.55,579 2.69,580 177.524,581 5.832,582 1230.46,584 1,587 104.042,588 1.5,589 3.491,590 0.208,592 0.089,593 0.049,594 0.053,595 0.029,596 0.02,597 0.03,600 0.478,601 1,602 1,603 1.695,604 42.44,605 -0.013,606 -0.113,607 0.01,608 -0.078,609 -0.015,610 -0.036,611 0.382,612 -0.105,613 0.143,614 -0.104,615 0.266,616 -0.041,617 0.033,618 -0.046,619 0.197,620 0.12,621 0.058,622 0.151,623 -0.004,624 0.01,625 -0.025,626 -0.026,627 0.061,628 -0.012,629 -0.098,630 -0.019,631 -0.135,632 -0.084,633 -0.065,634 -0.048,635 -0.28,636 -0.211,637 -0.297,638 -0.232,639 -0.258,640 -0.304,641 -0.475,642 0.095,643 -0.512,644 -0.146,645 -0.426,646 -0.241,647 -0.247,648 -0.072,649 -0.021,650 0.011,651 -0.296,652 -0.036,653 2.055,654 3.665,655 0.5,656 6.222,657 1.012,658 1.124,659 2.62,660 6.867,661 0.667,662 2.565,663 2.773,664 2.89,665 2.996,666 3.091,667 2.833,668 2.303,669 2.079,670 1.386,671 0.693,672 3.641,673 0.627,674 186.65,675 2.565,676 4.007,677 4.779,678 5.595,679 6.395,680 7.219,681 8.029,682 8.856,683 9.669,684 10.497,720 23,723 3,725 12,727 23,728 9,732 5,733 1,735 1,736 1,737 1,741 1,748 3,749 5,750 4,753 1,754 3,759 1,761 2,763 3,765 1,768 11,769 2,771 3,772 1,780 1,781 2,789 1,803 1,805 2,806 1,813 1,817 1,818 1,821 12,828 3,830 1,839 1,840 8.7,843 1,845 1,847 7,848 4.393,849 2.861,850 1.626,851 0.827,852 1.169,853 0.894,854 3.506,855 5.717,856 2.773,857 3.178,858 3.526,859 3.829,860 4.159,861 4.078,862 3.219,863 3.045,864 2.197,865 1.099,866 1,867 14,868 4.406,869 0.006,870 1.73,871 8.009,872 8.3,873 0.002,874 6.241,875 0.004,877 2.509,878 30.111,879 0.009,882 129.482,883 51.317,885 39.149,886 36.145,889 51.317,890 204.776,892 8.825,893 7.604,894 18.952,895 32.336,896 19.744,897 39.149,898 129.482,900 129.482,901 51.317,902 36.145,903 39.149,905 129.482,906 36.145,909 16.429,910 15.935,911 18.952,912 39.149,913 129.482,914 36.145,915 90.465,918 129.482,919 23.539,920 27.778,922 75.293,923 129.482,924 36.145,925 90.465,927 0.55,928 0.305,929 0.154,930 0.087,931 6,932 3,933 0.13,934 3,936 1,937 2.378,938 61.554,940 6,941 43.02,945 9.49,946 4.434,947 2.761,949 36.145,958 256.092,959 15,964 10.665,966 3.126,968 0.759,969 23.28,970 25.854,971 0.341,972 0.668,973 0.839,974 0.897,975 0.897,976 0.897,977 3.951,978 -1,979 4.727,980 -1.242,981 3.434,982 3.85,983 2.229,984 5.425,985 3.305,986 5.112,987 -1.306,988 6.225,989 -2.011,990 2.944,991 3.611,993 6.151,994 2.686,995 6.39,996 -1.524,997 7.826,998 -3.176,999 4.905,1000 5.849,1001 3.19,1002 9.167,1003 4.653,1004 7.706,1005 -1.865,1006 9.487,1007 -4.042,1008 5.198,1009 6.399,1011 10.693,1012 4.791,1013 9.054,1014 -2,1015 11.184,1016 -4.825,1017 6.661,1018 8.139,1019 4.312,1020 13.223,1021 6.257,1022 10.424,1024 12.907,1025 -6.231,1026 7.34,1027 9.053,1029 15.087,1030 6.776,1031 11.811,1033 14.647,1035 8.578,1036 10.571,1037 5.487,1038 17.422,1039 7.996,1040 2.853,1042 16.401,1044 9.447,1045 11.666,1047 19.442,1048 8.718,1049 2.136,1050 8.7,1051 18.165,1053 10.582,1054 13.077,1055 6.677,1056 21.689,1057 9.813,1058 1.595,1059 5.822,1060 19.937,1061 3.658,1062 11.543,1063 14.266,1065 23.782,1066 10.645,1067 1.313,1068 3.831,1069 21.714,1070 2.733,1071 12.631,1072 15.623,1073 7.872,1074 25.987,1075 11.674,1076 0.482,1077 2.6,1078 23.497,1079 1.762,1080 13.637,1081 16.862,1083 28.116,1084 12.566,1085 -0.17,1086 0.868,1087 25.283,1088 1.464,1089 14.703,1090 18.19,1091 9.068,1092 30.3,1093 13.562,1094 -0.515,1095 -0.295,1096 27.072,1097 0.567,1098 15.73,1099 19.456,1101 32.446,1102 14.487,1103 855,1104 1683,1105 7.455,1106 15.335,1107 17.297,1108 17.997,1109 17.623,1110 16.911,1111 16.759,1112 20.369,1113 5.467,1114 43.644,1115 15.532,1116 5.056,1117 5.525,1118 5.919,1119 4.857,1120 4.853,1121 6.365,1122 3.638,1123 14.932,1124 4.541,1125 6.467,1126 1.441,1127 1.5,1128 1.469,1129 1.409,1130 1.397,1131 1.697,1132 0.456,1133 3.637,1134 1.294,1135 3.874,1136 3.892,1137 3.969,1138 3.768,1139 7.434,1140 3.769,1141 3.591,1142 3.647,1143 3.435,1144 3.441,1145 4.941,1146 3.427,1147 3.187,1148 3.247,1149 3.37,1150 3.021,1151 4.237,1152 3.014,1153 2.848,1154 2.883,1155 2.943,1156 2.691,1157 4.116,1158 2.663,1159 2.772,1160 2.782,1161 2.625,1162 2.459,1163 3.838,1164 2.512,1165 2.351,1166 2.477,1167 2.203,1168 2.067,1169 3.594,1170 2.019,1171 1.946,1172 2.13,1173 1.837,1174 1.579,1175 2.972,1176 1.507,1177 1.604,1178 1.761,1179 1.422,1180 1.259,1181 2.47,1182 1.194,1183 0.353,1184 0.307,1185 0.505,1186 0.314,1187 0.238,1188 4.241,1189 0.305,1190 3.679,1191 0.152,1192 6.057,1193 0.725,1194 3.773,1195 0.219,1196 2.853,1197 3.658,1198 1.819,1199 8.7,1200 2.623,1201 1.823,1202 1.799,1203 2.004,1204 1.958,1205 1.297,1206 1.97,1207 1.587,1208 1.533,1209 1.793,1210 1.774,1211 0.923,1212 1.786,1213 1.176,1214 1.113,1215 1.5,1216 1.406,1217 0.612,1218 1.439,1219 0.792,1220 0.746,1221 1.08,1222 1.001,1223 0.243,1224 1.028,1225 0.597,1226 0.596,1227 0.755,1228 0.949,1230 0.902,1231 0.368,1232 0.248,1233 0.729,1234 0.693,1236 0.735,1237 0.016,1239 0.612,1240 0.435,1242 0.521,1245 0.188,1246 0.077,1248 0.145,1249 3.219,1251 4.443,1253 5.872,1255 7.405,1257 8.992,1259 2.104,1260 5.699,1265 3.044,1267 4.715,1273 14.418,1274 35.459,1275 69.513,1276 87.287,1277 93.287,1278 93.287,1279 93.287,1280 17.858,1281 4.89,1282 30.21,1283 30.21,1284 6,1285 11.075,1286 2,1287 2,1288 21.983,1289 25,1290 28,1291 0.462,1292 97.251,1293 176.77,1294 229.053,1295 526,1296 4.3,1297 8.975,1298 0.748,1299 0.644,1300 9.475,1301 7.726,1302 5.736,1303 0.478,1304 0.367,1305 4.011,1306 5.279,1307 3.863,1308 3.271,1309 6.025,1310 4.401,1311 4.798,1312 0.32,1313 0.2,1314 5.169,1315 3,1316 3.538,1317 0.208,1318 0.117,1319 3.891,1320 1.983,1321 2.623,1322 0.138,1323 0.063,1324 2.991,1325 1.204,1326 1.897,1327 0.09,1328 0.036,1329 2.063,1330 0.753,1331 0.685,1332 38.988,1333 0.366,1334 12.278,1335 1.348,1336 54,1337 201.674,1338 77.348,1339 217.583,1340 275.34,1341 200,1342 59,1343 170.772,1344 76.026,1345 179.151,1346 260.9,1347 167,1348 5.409}
{0 CHEMBL169159,1 1.712,2 12.414,3 4.868,4 23.7,5 113.236,6 8.093,7 0.387,8 4.076,9 4.172,10 3.845,11 3.659,12 5.133,13 3.608,14 4.637,15 4.775,16 4.152,17 4.056,18 5.921,19 3.983,20 4.938,21 5.128,22 4.31,23 4.229,24 5.979,25 4.108,26 5.048,27 5.269,28 4.274,29 4.135,30 6.259,31 4.028,32 4.905,33 5.132,34 3.962,35 3.978,36 5.999,37 3.884,38 4.692,39 4.878,40 3.951,41 3.981,42 5.855,43 3.877,44 4.777,45 4.983,46 3.891,47 4.013,48 5.851,49 3.887,50 4.748,51 4.956,52 3.897,53 3.96,54 5.736,55 3.826,56 0.126,57 0.746,58 13.641,59 5.752,60 24.19,61 6.617,62 0.475,63 1.176,64 22.052,65 9.823,66 77.881,67 11.916,68 0.39,69 1.521,70 38.876,71 13.567,72 60.11,73 16.178,74 0.905,75 1.56,76 48.673,77 14.252,78 119.283,79 17.028,80 0.809,81 1.329,82 38.425,83 11.439,84 108.375,85 13.523,86 0.514,87 1.177,88 28.899,89 10.579,90 66.119,91 12.785,92 0.525,93 1.235,94 32.072,95 11.131,96 83.425,97 13.871,98 0.505,99 1.181,100 30.427,101 10.945,102 61.964,103 13.418,105 38,106 44,107 0.284,108 0.611,109 0.764,110 0.849,111 0.861,112 0.861,113 3.408,114 1.094,115 -4.91,116 -4.81,117 -4.51,120 38.9,121 1,122 4,123 2,126 1,140 7,141 1,142 4,153 1,158 1,159 1,160 1,165 12,167 3,168 5,172 1,173 2,175 1,176 14,179 1,182 7,187 4,190 7,192 2,194 1,195 19,200 4,203 4,205 2,207 6,212 2,215 7,217 1,219 2,220 5,227 15,231 3,233 1,234 2,239 15,245 7,253 12,258 6,263 4,266 5,268 2,270 1380,271 18.833,272 18.833,273 18.833,274 18.833,275 18.833,276 16.836,277 19.401,278 10.995,279 19.307,280 15.294,281 15.294,282 15.294,283 15.294,284 15.294,285 12.238,286 22.348,287 5.228,288 16.155,289 4.043,290 2.072,291 1.156,292 0.644,293 0.57,294 0.57,295 4.084,298 1,301 1,302 1,303 755,304 3.937,307 319.348,313 1.986,314 42.753,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 63.333,326 360,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.17,337 3.242,338 5.93,339 3.78,340 2.805,341 3.816,342 1.276,343 8.248,344 2.744,345 3.91,346 3.162,347 5.786,348 3.731,349 2.76,350 3.384,351 0.86,352 8.191,353 2.666,354 3.832,355 2.983,356 5.546,357 3.352,358 2.399,359 3.047,361 7.115,362 2.308,363 3.472,364 2.628,365 5.301,366 3.291,367 2.343,368 2.62,370 6.781,371 2.163,372 3.272,373 2.428,374 4.949,375 2.92,376 1.976,377 2.498,379 5.762,380 1.867,381 3.245,382 2.255,383 4.726,384 2.841,385 1.882,386 2.389,388 5.203,389 1.779,390 2.864,391 1.914,392 4.1,393 2.354,394 1.414,395 2.022,397 3.208,398 1.27,399 2.658,400 1.593,401 3.796,402 2.234,403 1.285,404 1.712,406 2.996,407 1.215,408 2.546,409 1.552,410 3.603,411 2.142,412 1.154,413 1.475,415 2.842,416 1.129,417 2,418 1.071,419 3.414,420 2,421 1,422 1,424 2.275,425 1,426 1.759,427 1,428 3.197,429 1.54,430 0.639,431 0.693,433 1.535,434 0.569,435 1.206,436 0.78,437 3.162,438 0.833,439 -0.086,440 -0.104,442 -0.244,443 -0.071,444 1.096,445 0.291,446 2.653,447 0.672,448 -0.256,449 -0.323,451 -0.618,452 -0.184,453 1,454 -0.068,455 2.5,456 0.568,457 -0.298,458 -0.339,460 -0.76,461 -0.287,462 14.181,463 0.489,464 0.93,465 0.032,466 35.25,467 1.216,468 17.5,469 0.603,470 17.75,471 0.612,472 27.329,473 0.942,474 32.619,475 0.604,476 27.184,477 0.937,478 6.361,479 0.219,480 7.381,481 0.255,482 0.189,483 0.059,484 0.282,490 0.636,491 1.174,492 0.728,493 1.177,494 0.782,495 0.954,496 0.637,497 1.063,498 0.683,499 0.958,500 0.443,501 0.988,502 0.952,503 1.167,504 0.86,505 1.066,506 0.77,507 1.067,508 1.051,509 1.005,510 0.995,511 1.067,512 0.944,513 0.94,514 1.626,515 0.682,516 0.875,517 0.68,518 1.486,519 0.749,520 0.841,521 1.022,522 0.923,523 1.045,524 0.793,525 0.991,526 0.996,527 0.902,528 0.997,529 0.961,530 1.12,531 1.034,532 1.038,533 0.993,534 0.863,535 0.951,536 0.786,537 1.038,538 8,539 0.203,540 3.556,541 2.688,542 1.596,543 1.097,544 0.531,545 0.495,546 0.324,547 0.232,548 10945,549 32520,550 1.985,551 46.3,552 11,553 9,556 3,557 1,558 1,560 1.717,561 1.822,562 3.564,563 0.926,569 92.429,570 1.712,571 3.683,572 4.599,573 5.111,574 5.185,575 5.185,576 3.086,577 4.306,578 4.829,579 3.776,580 1532.89,581 8.398,582 21380.2,584 1,587 310.764,588 1.658,589 4.76,590 0.258,591 0.009,592 0.081,593 0.061,594 0.039,595 0.032,596 0.015,597 0.015,598 0.011,599 0.009,600 0.53,601 0.17,602 1,603 0.805,604 149.296,605 0.052,606 0.048,607 0.148,608 -0.04,609 -0.159,610 0.053,611 0.275,612 -0.003,613 0.087,614 0.018,615 0.334,616 -0.011,617 -0.052,618 -0.143,619 0.077,620 -0.052,621 -0.025,622 -0.078,623 0.123,624 -0.049,625 0.086,626 -0.065,627 0.136,628 0.028,629 -0.272,630 0.253,631 0.009,632 0.229,633 -0.219,634 0.175,635 0.095,636 -0.011,637 -0.031,638 -0.021,639 0.096,640 0.002,641 -0.058,642 0.069,643 -0.097,644 -0.012,645 -0.12,646 -0.051,647 -0.057,648 -0.056,649 0.006,650 0.001,651 -0.06,652 -0.051,653 4.963,654 5.561,655 0.621,656 29.032,657 1.01,658 1.124,659 3.675,660 13.508,661 0.675,662 3.466,663 3.807,664 3.989,665 4.205,666 4.331,667 4.369,668 4.357,669 4.431,670 4.489,671 4.554,672 7.314,673 0.634,674 437,675 3.466,676 5.017,677 5.844,678 6.723,679 7.563,680 8.445,681 9.29,682 10.174,683 11.021,684 11.907,685 3.7,686 1,694 1,699 7,704 5,706 12,718 1,719 1,720 54,723 15,724 2,725 31,727 56,728 21,729 12,730 5,731 7,735 3,736 3,737 1,741 1,745 4,746 2,748 4,749 13,750 8,751 2,754 3,757 1,758 1,759 2,763 1,768 25,769 6,770 3,771 8,772 2,775 2,776 1,780 1,781 4,789 3,807 1,813 3,815 1,817 1,818 1,821 29,822 1,826 1,828 5,830 2,833 2,839 1,840 7.4,843 2,845 2,847 15.917,848 9.56,849 6.264,850 3.202,851 2.239,852 1.31,853 0.963,854 7.093,855 9.472,856 3.714,857 4.304,858 4.705,859 5.205,860 5.595,861 5.73,862 5.875,863 6.14,864 6.264,865 6.548,866 1,867 44,868 11.076,870 5.03,871 7.955,872 20.429,874 17.106,877 2.455,878 71.194,881 1,882 258.964,883 118.691,884 64.569,885 39.149,886 63.858,888 7.75,889 110.941,890 361.971,891 64.569,892 8.825,893 47.628,894 74.084,895 46.641,896 69.941,898 258.964,899 39.149,900 258.964,901 175.51,902 63.858,903 46.898,905 247.193,906 75.629,909 88.125,910 87.385,911 46.898,913 258.964,914 128.427,915 157.84,917 7.75,918 258.964,919 35.782,920 75.159,922 167.576,923 258.964,924 128.427,925 157.84,927 0.591,928 0.329,929 0.169,930 0.084,931 20,932 10,933 0.125,934 7,936 1,937 4.005,938 243.068,940 18,941 132.881,944 1,945 21.944,946 9.373,947 5.876,949 128.427,950 11.21,955 1.598,957 64.569,958 545.231,959 40,962 -4.047,963 7.561,964 25.122,968 0.268,969 54.516,970 60.681,971 0.297,972 0.64,973 0.799,974 0.888,975 0.901,976 0.901,977 4.97,978 1.414,979 5.872,980 5.203,981 4.489,982 4.99,983 3.298,984 6.701,985 4.378,986 6.199,987 1.285,988 7.454,989 3.208,990 4.29,991 5.103,992 0.904,993 7.87,994 4.072,995 7.543,996 1.154,997 9.148,998 2.996,999 6.151,1000 7.245,1001 5.519,1002 10.889,1003 5.915,1004 8.925,1005 1,1006 10.913,1007 2.842,1008 6.723,1009 8.156,1010 1.398,1011 12.923,1012 6.35,1013 10.344,1014 0.639,1015 12.728,1016 2.275,1017 8.139,1018 9.89,1019 7.903,1020 15.586,1021 7.741,1022 11.791,1023 -0.086,1024 14.58,1025 1.535,1026 9.059,1027 11.153,1028 1.841,1029 17.958,1030 8.514,1031 13.261,1032 -0.256,1033 16.462,1034 -0.244,1035 10.323,1036 12.758,1037 10.303,1038 20.537,1039 9.726,1040 3.436,1041 -0.298,1042 18.368,1043 -0.618,1044 11.404,1045 14.178,1046 2.286,1047 23.03,1048 10.663,1049 2.805,1050 12.878,1051 20.293,1052 -0.76,1053 12.622,1054 15.741,1055 12.705,1056 25.59,1057 11.802,1058 2.76,1059 8.248,1060 22.234,1061 4.744,1062 13.778,1063 17.232,1064 2.741,1065 28.123,1066 12.822,1067 2.399,1068 8.191,1069 24.189,1070 3.816,1071 14.987,1072 18.783,1073 15.107,1074 30.679,1075 13.934,1076 2.343,1077 7.115,1078 26.153,1079 3.384,1080 16.179,1081 20.307,1082 3.206,1083 33.227,1084 14.996,1085 1.976,1086 6.781,1087 28.125,1088 3.047,1089 17.392,1090 21.857,1091 17.51,1092 35.783,1093 16.1,1094 1.882,1095 5.762,1096 30.104,1097 2.62,1098 18.602,1099 23.396,1100 3.679,1101 38.335,1102 17.185,1103 10741,1104 18825,1105 19.879,1106 36.472,1107 46.263,1108 49.131,1109 48.014,1110 46.377,1111 46.186,1112 58.802,1113 10.92,1114 134.07,1115 43.607,1116 5.888,1117 7.26,1118 7.083,1119 5.434,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 17.378,1126 1.492,1127 1.585,1128 1.549,1129 1.496,1130 1.49,1131 1.897,1132 0.352,1133 4.325,1134 1.407,1135 4.081,1136 4.053,1137 4.737,1138 4.058,1139 7.721,1140 3.984,1141 3.931,1142 3.965,1143 3.887,1144 3.846,1145 6.999,1146 3.838,1147 3.864,1148 3.894,1149 3.856,1150 3.783,1151 5.874,1152 3.773,1153 3.587,1154 3.562,1155 3.762,1156 3.51,1157 4.92,1158 3.426,1159 3.482,1160 3.533,1161 3.37,1162 3.288,1163 4.862,1164 3.297,1165 3.204,1166 3.277,1167 3.285,1168 3.017,1169 4.792,1170 3.007,1171 3.111,1172 3.206,1173 3.047,1174 2.941,1175 4.439,1176 2.91,1177 3.076,1178 3.16,1179 2.914,1180 2.834,1181 4.336,1182 2.847,1183 0.158,1184 0.17,1185 0.239,1186 0.14,1187 0.111,1188 4.888,1189 0.153,1190 5.26,1191 0.107,1192 7.4,1193 0.415,1194 4.345,1195 0.1,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.955,1202 1.97,1203 2.108,1204 2.06,1205 1.514,1206 2.078,1207 1.911,1208 1.877,1209 1.999,1210 2.018,1211 1.152,1212 2.046,1213 1.865,1214 1.833,1215 1.953,1216 1.947,1217 1.103,1218 1.965,1219 1.434,1220 1.443,1221 1.653,1222 1.677,1223 0.947,1224 1.672,1225 1.383,1226 1.37,1227 1.513,1228 1.548,1229 0.825,1230 1.588,1231 1.184,1232 1.117,1233 1.513,1234 1.438,1235 0.597,1236 1.453,1237 1.153,1238 1.064,1239 1.354,1240 1.376,1241 0.478,1242 1.429,1243 1.035,1244 0.949,1245 1.15,1246 1.313,1247 0.394,1248 1.348,1249 4.143,1251 5.476,1253 6.993,1255 8.592,1257 10.234,1259 1.847,1260 5.998,1263 5.593,1265 4.259,1267 11.214,1270 0.572,1273 34.238,1274 92.429,1275 198.858,1276 248.358,1277 276.009,1278 280.009,1279 280.009,1280 76.728,1281 7.233,1282 102.47,1283 110.85,1284 18,1285 12.447,1286 4,1287 3.322,1288 52.65,1289 128,1290 128,1291 0.2,1292 218.575,1293 385.38,1294 525.083,1295 13877,1296 1.9,1297 21.018,1298 0.725,1299 0.614,1300 21.768,1301 17.801,1302 13.742,1303 0.443,1304 0.365,1305 9.566,1306 12.293,1307 9.172,1308 7.614,1309 14.852,1310 11.304,1311 13.207,1312 0.3,1313 0.213,1314 14.86,1315 9.356,1316 9.885,1317 0.187,1318 0.129,1319 11.396,1320 6.857,1321 8.288,1322 0.126,1323 0.075,1324 10.016,1325 4.929,1326 5.841,1327 0.078,1328 0.043,1329 6.879,1330 3.208,1331 0.32,1332 97.086,1333 0.224,1334 27.879,1335 0.532,1336 150,1337 463.651,1338 216.785,1339 494.593,1340 650.41,1341 452,1342 172,1343 420.312,1344 248.56,1345 473.14,1346 686.01,1347 441,1348 5.538}
{0 CHEMBL169707,1 1.692,2 15.426,3 4.026,4 16.21,5 164.76,6 7.572,7 0.245,8 4.54,9 4.656,10 4.079,11 4.006,12 5.722,13 4.004,14 5.112,15 5.281,16 4.515,17 4.397,18 6.452,19 4.381,20 5.443,21 5.634,22 4.628,23 4.566,24 6.855,25 4.529,26 5.562,27 5.793,28 4.675,29 4.553,30 6.872,31 4.54,32 5.533,33 5.716,34 4.722,35 4.548,36 7.048,37 4.571,38 5.562,39 5.753,40 4.764,41 4.66,42 6.956,43 4.655,44 5.683,45 5.886,46 4.847,47 4.727,48 7.098,49 4.714,50 5.742,51 5.958,52 4.75,53 4.712,54 7.219,55 4.677,56 0.234,57 1.339,58 17.31,59 8.146,60 38.425,61 10.196,62 1.021,63 2.266,64 35.055,65 13.359,66 151.71,67 17.774,68 1.837,69 2.63,70 52.775,71 16.989,72 275.291,73 22.994,74 1.753,75 2.779,76 63.456,77 17.546,78 281.569,79 24.829,80 2.421,81 2.868,82 60.663,83 15.921,84 377.843,85 20.066,86 1.895,87 3.145,88 60.851,89 19.338,90 311.208,91 24.267,92 2.026,93 3.513,94 69.555,95 21.919,96 343.526,97 28.354,98 3.132,99 3.47,100 77.834,101 21.326,102 516.869,103 27.772,105 211,106 71,107 0.254,108 0.566,109 0.744,110 0.839,111 0.849,112 0.849,113 3.874,114 0.925,115 -2.92,116 -2.92,117 -2.83,120 37.9,121 5,122 3,123 1,126 1,128 3,130 1,131 1,140 9,141 2,142 1,151 1,153 4,154 1,162 1,164 1,165 14,166 1,167 2,168 6,171 5,173 5,176 16,177 2,181 1,182 6,185 4,187 8,190 7,191 1,194 1,195 17,198 1,200 8,201 1,203 1,204 1,206 6,207 12,210 3,211 2,212 6,215 3,219 1,220 11,221 1,223 1,224 1,225 3,227 9,230 2,231 23,234 2,236 6,239 11,244 4,245 8,246 1,248 3,250 6,253 9,257 1,258 8,261 2,263 4,264 1,266 19,267 1,270 5594,271 29.617,272 29.617,273 29.617,274 29.617,275 29.617,276 27.4,277 32.755,278 17.046,279 30.039,280 24.088,281 24.088,282 24.088,283 24.088,284 24.088,285 20.505,286 36.517,287 8.024,288 24.782,289 4.751,290 2.676,291 1.487,292 0.86,293 0.791,294 0.791,295 4.541,303 1480,304 6.819,306 171.474,307 392.972,313 2.301,314 109.459,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 107,326 725,327 4.636,328 4.651,329 7.669,330 4.453,331 3.521,332 3.856,333 3.524,334 13.519,335 3.276,336 4.296,337 3.96,338 6.779,339 4.15,340 3.186,341 3.753,342 2.19,343 11.019,344 3.071,345 4.192,346 3.767,347 6.447,348 4.063,349 3.121,350 3.457,351 2.012,352 10.156,353 2.923,354 4.154,355 3.653,356 6.223,357 3.817,358 2.824,359 3.438,360 1.944,361 9.071,362 2.799,363 3.958,364 3.579,365 6,366 3.768,367 2.783,368 3.209,369 1.899,370 8.51,371 2.733,372 3.872,373 3.477,374 5.945,375 3.614,376 2.628,377 3.037,378 1.437,379 8.197,380 2.588,381 3.672,382 3.171,383 5.377,384 3.34,385 2.35,386 2.947,387 1.267,388 6.824,389 2.318,390 3.509,391 2.923,392 5.324,393 3.207,394 2.238,395 2.65,396 0.635,397 6.548,398 2.154,399 3.414,400 2.688,401 5.208,402 3.063,403 2.077,404 2.545,405 0.366,406 6.028,407 2.023,408 3.201,409 2.639,410 4.852,411 2.964,412 1.962,413 2.233,414 0.207,415 5.41,416 1.943,417 2.953,418 2.529,419 4.677,420 2.59,421 1.575,422 2.09,423 0.086,424 4.116,425 1.586,426 2.841,427 2.332,428 4.298,429 2.518,430 1.513,431 1.932,432 0.05,433 3.643,434 1.511,435 2.778,436 1.983,437 3.815,438 2.385,439 1.397,440 1.756,442 3.072,443 1.367,444 2.622,445 1.805,446 3.716,447 2.213,448 1.211,449 1.567,451 2.894,452 1.197,453 2.53,454 1.491,455 3.64,456 2.005,457 1,458 1.5,460 2.341,461 1,462 21.338,463 0.454,464 1.771,465 0.038,466 51,467 1.085,468 21.5,469 0.457,470 29.5,471 0.628,472 58.221,473 1.239,474 54.862,475 0.631,476 58.441,477 1.243,478 10.045,479 0.214,480 11.856,481 0.252,482 0.253,483 0.047,484 0.323,486 2,490 0.665,491 1.245,492 0.77,493 1.224,494 0.604,495 1.062,496 0.518,497 1.146,498 0.718,499 1.138,500 0.496,501 1.019,502 0.813,503 1.019,504 0.992,505 1.122,506 0.722,507 1.117,508 1.034,509 1.016,510 0.836,511 0.93,512 1.067,513 0.836,514 1.505,515 1.057,516 1.205,517 0.851,518 1.537,519 0.905,520 1.241,521 1.194,522 1.023,523 1.014,524 1.196,525 0.961,526 1.148,527 1.32,528 0.959,529 1.144,530 1.168,531 1.025,532 1.316,533 1.073,534 1.197,535 0.889,536 1.337,537 0.977,538 13.5,539 0.448,540 6.444,541 4.368,542 3.303,543 2.226,544 2.178,545 1.275,546 0.922,547 0.735,548 35412,549 114140,550 1.891,551 46,552 6,553 14,556 4,558 16,560 1.844,561 1.699,562 3.864,563 1.388,569 147.194,570 1.692,571 3.767,572 4.956,573 5.583,574 5.652,575 5.652,576 3.319,577 4.996,578 5.524,579 4.091,580 4421.84,581 9.845,582 85834.9,587 560.536,588 1.765,589 5.425,590 0.276,591 0.006,592 0.091,593 0.059,594 0.042,595 0.027,596 0.025,597 0.014,598 0.012,599 0.01,600 0.561,601 0.17,602 0.63,603 1.483,604 277.066,605 -0.058,606 -0.092,607 0.01,608 -0.026,609 -0.065,610 0.008,611 0.239,612 -0.033,613 0.158,614 -0.044,615 0.173,616 0.012,617 0.127,618 -0.002,619 -0.045,620 -0.112,621 0.125,622 -0.135,623 -0.034,624 -0.071,625 0.171,626 0.011,627 -0.035,628 0.129,629 -0.155,630 0.056,631 -0.159,632 0.071,633 -0.119,634 -0.019,635 -0.099,636 -0.054,637 -0.027,639 -0.048,640 0.007,641 -0.023,642 -0.177,643 0.047,644 -0.129,645 -0.003,646 -0.043,647 -0.054,648 0.062,649 -0.143,650 0.056,651 -0.037,652 -0.045,653 5.892,654 7.429,655 0.362,656 65.386,657 1.021,658 1.141,659 1.688,660 2.85,661 0.632,662 3.912,663 4.277,664 4.454,665 4.644,666 4.754,667 4.804,668 4.927,669 4.934,670 4.997,671 5.03,672 9.22,673 0.616,674 658.77,675 3.912,676 5.485,677 6.315,678 7.204,679 8.055,680 8.945,681 9.806,682 10.696,683 11.564,684 12.454,685 4.6,692 4,699 9,704 3,706 12,711 1,720 87,723 18,724 2,725 49,727 89,728 33,729 12,730 3,731 9,732 1,735 3,736 3,741 5,743 1,745 3,748 7,749 18,750 15,751 2,754 6,759 6,763 6,766 2,768 40,769 14,770 4,771 14,775 4,780 1,781 8,786 1,788 1,789 2,798 1,800 2,801 1,810 1,811 1,813 3,817 5,819 2,821 47,827 1,828 4,829 3,830 1,833 4,834 1,835 2,839 2,840 9.2,842 1,843 6,845 1,847 27.667,848 16.686,849 10.153,850 5.178,851 1.437,852 1.183,853 0.897,854 12.648,855 9.272,856 4.127,857 4.625,858 4.99,859 5.36,860 5.703,861 5.68,862 5.934,863 6.007,864 6.166,865 6.212,866 1,867 74,868 18.541,870 9.079,871 8.348,872 31.912,874 25.926,877 2.848,878 133.833,882 423.76,883 176.993,884 57.157,886 204.553,887 29.92,889 176.993,890 628.312,891 87.077,892 44.126,893 66.866,894 85.286,895 213.71,896 51.872,897 6.763,898 423.76,900 423.76,901 234.15,902 234.473,905 235.422,906 422.811,908 1.824,909 110.992,910 121.334,913 453.68,914 261.709,915 176.993,918 425.584,919 45.757,920 132.537,921 54.032,922 234.473,923 423.76,924 291.63,925 176.993,927 0.598,928 0.331,929 0.165,930 0.083,931 29,932 18,933 0.157,934 14,936 1,937 5.038,938 486.034,940 17,941 248.311,945 37.586,946 15.815,947 10.308,949 291.63,950 12.58,955 -0.133,957 96.716,958 892.383,959 61,964 76.881,968 -7.548,969 88.839,970 99.237,971 0.263,972 0.585,973 0.769,974 0.867,975 0.877,976 0.877,977 5.416,978 2.238,979 6.375,980 6.824,981 4.963,982 5.313,983 4.012,984 7.242,985 4.905,986 6.633,987 2.077,988 7.992,989 6.548,990 4.89,991 5.255,992 3.946,993 8.502,994 4.764,995 7.955,996 1.962,997 9.722,998 6.028,999 6.678,1000 7.329,1001 5.622,1002 11.521,1003 6.533,1004 9.305,1005 1.575,1006 11.52,1007 5.41,1008 7.359,1009 7.97,1010 6.423,1011 13.575,1012 7.133,1013 10.685,1014 1.513,1015 13.362,1016 4.116,1017 8.73,1018 9.629,1019 7.751,1020 16.242,1021 8.471,1022 12.084,1023 1.397,1024 15.236,1025 3.643,1026 9.712,1027 10.566,1028 8.875,1029 18.604,1030 9.371,1031 13.5,1032 1.211,1033 17.135,1034 3.072,1035 10.955,1036 12.069,1037 10.138,1038 21.189,1039 10.566,1040 3.521,1041 1,1042 19.054,1043 2.894,1044 12.065,1045 13.154,1046 11.36,1047 23.679,1048 11.596,1049 3.186,1050 13.519,1051 20.99,1052 2.341,1053 13.274,1054 14.583,1055 12.616,1056 26.252,1057 12.745,1058 3.121,1059 11.019,1060 22.94,1061 3.856,1062 14.44,1063 15.753,1064 13.865,1065 28.799,1066 13.833,1067 2.824,1068 10.156,1069 24.903,1070 3.753,1071 15.646,1072 17.142,1073 15.122,1074 31.378,1075 14.971,1076 2.783,1077 9.071,1078 26.876,1079 3.457,1080 16.841,1081 18.365,1082 16.378,1083 33.951,1084 16.088,1085 2.628,1086 8.51,1087 28.858,1088 3.438,1089 18.053,1090 19.731,1091 17.637,1092 36.537,1093 17.227,1094 2.35,1095 8.197,1096 30.847,1097 3.209,1098 19.264,1099 20.99,1100 18.896,1101 39.123,1102 18.361,1103 35460,1104 64094,1105 29.937,1106 55,1107 75.861,1108 78.787,1109 77.546,1110 74.447,1111 74.215,1112 88.994,1113 31.229,1114 220.751,1115 72.269,1116 5.625,1117 6.651,1118 7.471,1119 5.527,1120 5.521,1121 6.856,1122 5.246,1123 21.707,1124 5.276,1125 36.033,1126 1.548,1127 1.608,1128 1.583,1129 1.519,1130 1.515,1131 1.816,1132 0.637,1133 4.505,1134 1.475,1135 4.007,1136 4.045,1137 3.948,1138 3.898,1139 8.363,1140 3.9,1141 3.922,1142 3.953,1143 3.863,1144 3.845,1145 7.999,1146 3.844,1147 3.898,1148 3.934,1149 3.822,1150 3.757,1151 7.475,1152 3.767,1153 3.773,1154 3.816,1155 3.717,1156 3.596,1157 7.44,1158 3.606,1159 3.728,1160 3.755,1161 3.658,1162 3.547,1163 7.43,1164 3.567,1165 3.675,1166 3.729,1167 3.539,1168 3.524,1169 7.425,1170 3.523,1171 3.456,1172 3.5,1173 3.379,1174 3.213,1175 7.422,1176 3.249,1177 3.329,1178 3.388,1179 3.235,1180 3.06,1181 7.411,1182 3.087,1183 0.095,1184 0.095,1185 0.157,1186 0.091,1187 0.072,1188 4.636,1189 0.079,1190 4.651,1191 0.072,1192 7.669,1193 0.276,1194 4.453,1195 0.067,1196 3.521,1197 3.856,1198 3.524,1199 13.519,1200 3.276,1201 1.929,1202 1.9,1203 2.057,1204 2.037,1205 1.257,1206 2.038,1207 1.904,1208 1.881,1209 2.002,1210 2.004,1211 1.246,1212 2.005,1213 1.777,1214 1.73,1215 1.981,1216 1.978,1217 1.209,1218 1.973,1219 1.69,1220 1.644,1221 1.942,1222 1.888,1223 1.117,1224 1.902,1225 1.67,1226 1.629,1227 1.865,1228 1.862,1229 1.087,1230 1.854,1231 1.575,1232 1.532,1233 1.768,1234 1.767,1235 0.987,1236 1.773,1237 1.484,1238 1.423,1239 1.663,1240 1.723,1241 0.899,1242 1.712,1243 1.308,1244 1.266,1245 1.438,1246 1.575,1247 0.532,1248 1.545,1249 4.595,1251 5.948,1252 2.398,1253 7.467,1254 4.595,1255 9.06,1256 6.605,1257 10.695,1259 8.389,1261 30.857,1264 9.164,1265 0.309,1266 6.774,1267 5.279,1270 -4.487,1271 1.238,1272 -5.469,1273 53.58,1274 147.194,1275 327.711,1276 431.139,1277 485.742,1278 491.742,1279 491.742,1280 272.337,1281 7.835,1282 171.21,1283 171.21,1284 17,1285 12.987,1286 4.248,1287 3.7,1288 112.978,1289 252,1290 265,1291 0.208,1292 331.552,1293 615.36,1294 800.748,1295 28026,1296 2.3,1297 35.104,1298 0.747,1299 0.571,1300 33.311,1301 26.842,1302 21.901,1303 0.447,1304 0.308,1305 14.86,1306 20.842,1307 14.398,1308 11.993,1309 21.14,1310 15.116,1311 21.628,1312 0.305,1313 0.177,1314 20.435,1315 12.587,1316 15.837,1317 0.186,1318 0.086,1319 14.314,1320 7.321,1321 12.401,1322 0.12,1323 0.049,1324 12.09,1325 5.027,1326 8.794,1327 0.076,1328 0.026,1329 8.53,1330 3.023,1331 0.328,1332 139.469,1333 0.183,1334 40.62,1335 0.569,1336 240,1337 939.164,1338 280.169,1339 831.485,1340 1063.07,1341 762,1342 276,1343 726.154,1344 313.934,1345 713.295,1346 1051.21,1347 666,1348 6.439}
{0 CHEMBL170152,1 1.713,2 16.377,3 3.768,4 14.2,5 183.005,6 7.944,7 0.304,8 4.622,9 4.726,10 4.201,11 4.105,12 5.846,13 4.114,14 5.18,15 5.33,16 4.636,17 4.502,18 6.58,19 4.495,20 5.518,21 5.699,22 4.74,23 4.674,24 6.931,25 4.646,26 5.611,27 5.82,28 4.796,29 4.669,30 6.941,31 4.664,32 5.617,33 5.788,34 4.862,35 4.66,36 7.148,37 4.69,38 5.653,39 5.839,40 4.909,41 4.728,42 7.132,43 4.743,44 5.732,45 5.915,46 4.995,47 4.771,48 7.258,49 4.795,50 5.785,51 5.974,52 4.961,53 4.776,54 7.342,55 4.797,56 0.333,57 1.425,58 17.047,59 8.737,60 57.525,61 10.224,62 1.189,63 2.437,64 34.511,65 14.507,66 187.472,67 18.241,68 2.11,69 2.886,70 54.552,71 18.762,72 329.269,73 23.882,74 1.968,75 3.063,76 63.706,77 19.698,78 336.479,79 25.865,80 2.677,81 3.18,82 62.491,83 18.011,84 422.126,85 21.248,86 2.408,87 3.383,88 64.983,89 20.719,90 409.385,91 25.174,92 2.692,93 3.714,94 70.882,95 22.693,96 464.443,97 27.396,98 3.49,99 3.857,100 78.397,101 22.556,102 606.064,103 26.096,105 217,106 81,107 0.252,108 0.58,109 0.759,110 0.853,111 0.871,112 0.874,113 3.991,114 0.896,115 -2.82,116 -2.83,117 -2.74,120 39.8,121 3,122 5,126 1,128 3,130 1,131 1,140 11,141 4,142 1,151 1,153 5,154 1,162 2,164 2,165 18,166 2,167 2,168 7,171 6,173 6,176 23,177 3,181 1,182 7,185 4,187 8,190 15,191 2,194 1,195 16,198 1,200 10,201 2,203 5,204 3,206 6,207 12,208 2,210 4,211 3,212 10,215 4,216 1,219 3,220 13,221 3,223 3,224 1,225 5,227 7,230 4,231 24,234 4,236 5,239 8,240 2,244 4,245 12,246 2,248 3,250 8,251 1,253 9,254 3,257 2,258 13,261 4,262 1,263 8,264 1,266 19,267 1,270 7693,271 33.841,272 33.841,273 33.841,274 33.841,275 33.841,276 30.881,277 35.897,278 19.626,279 34.271,280 27.585,281 27.585,282 27.585,283 27.585,284 27.585,285 22.834,286 39.577,287 9.305,288 28.286,289 4.826,290 2.598,291 1.376,292 0.741,293 0.616,294 0.594,295 4.67,303 1802,304 7.036,306 188.561,307 580.143,311 310.121,313 2.587,314 129.429,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 121,326 868,327 4.642,328 4.651,329 7.669,330 4.453,331 3.521,332 4.507,333 3.524,334 13.519,335 3.277,336 4.569,337 3.951,338 6.731,339 4.132,340 3.163,341 3.82,342 2.341,343 10.873,344 3.123,345 4.273,346 3.766,347 6.666,348 4.121,349 3.133,350 3.455,351 2.19,352 10.724,353 3.036,354 4.154,355 3.65,356 6.446,357 4.062,358 3.118,359 3.421,360 2.012,361 10.155,362 2.923,363 3.95,364 3.616,365 6.063,366 3.709,367 2.725,368 3.208,369 1.944,370 8.62,371 2.672,372 3.833,373 3.591,374 5.918,375 3.586,376 2.595,377 3.193,378 1.899,379 8.094,380 2.567,381 3.766,382 3.476,383 5.583,384 3.367,385 2.375,386 3.069,387 1.437,388 7.135,389 2.35,390 3.69,391 3.17,392 5.397,393 3.329,394 2.333,395 2.983,396 1.267,397 6.969,398 2.313,399 3.541,400 2.966,401 5.261,402 3.215,403 2.235,404 2.704,405 0.635,406 6.56,407 2.185,408 3.49,409 2.864,410 5.164,411 3.166,412 2.178,413 2.634,414 0.366,415 5.976,416 2.116,417 3.405,418 2.679,419 4.797,420 3.057,421 2.065,422 2.544,423 0.207,424 5.285,425 2.018,426 3.041,427 2.578,428 4.673,429 2.775,430 1.774,431 2.132,432 0.086,433 4.853,434 1.755,435 2.968,436 2.296,437 4.581,438 2.522,439 1.518,440 2.085,441 0.05,442 4.071,443 1.516,444 2.933,445 2.104,446 4.304,447 2.452,448 1.447,449 2.055,451 3.694,452 1.442,453 2.886,454 1.983,455 4.021,456 2.405,457 1.409,458 2.033,460 3.186,461 1.4,462 24.005,463 0.453,464 1.891,465 0.036,466 60.5,467 1.142,468 27,469 0.509,470 33.5,471 0.632,472 63.827,473 1.204,474 60.595,475 0.652,476 72.427,477 1.367,478 12.171,479 0.23,480 12.696,481 0.24,482 0.211,483 0.042,484 0.329,486 2,490 0.689,491 1.173,492 0.737,493 1.138,494 0.625,495 0.988,496 0.5,497 1.132,498 0.72,499 1.133,500 0.482,501 1.029,502 0.835,503 0.947,504 0.997,505 1.039,506 0.758,507 1.068,508 1.008,509 1.049,510 0.863,511 0.977,512 1.05,513 0.89,514 1.372,515 1.105,516 1.162,517 0.922,518 1.4,519 0.949,520 1.14,521 1.161,522 0.953,523 0.986,524 1.128,525 0.916,526 1.166,527 1.297,528 0.927,529 1.075,530 1.201,531 0.953,532 1.463,533 1.187,534 1.149,535 0.864,536 1.47,537 0.886,538 14.5,539 0.464,540 6.889,541 4.743,542 3.788,543 2.531,544 2.304,545 1.668,546 1.359,547 0.791,548 50721,549 170018,550 1.932,551 43,553 16,556 5,557 2,558 17,560 1.871,561 1.747,562 3.946,563 2.008,569 159.296,570 1.713,571 3.942,572 5.163,573 5.798,574 5.923,575 5.945,576 3.373,577 5.412,578 5.699,579 4.194,580 5779.37,581 10.194,582 122688,587 608.142,588 1.737,589 5.61,590 0.259,591 0.006,592 0.085,593 0.056,594 0.042,595 0.027,596 0.023,597 0.016,598 0.013,599 0.009,600 0.535,601 0.17,602 0.63,603 1.531,604 323.22,605 -0.073,606 -0.055,607 0.003,608 0.012,609 -0.068,610 0.031,611 0.236,612 -0.024,613 0.121,614 -0.053,615 0.179,616 -0.021,617 0.075,618 0.061,619 -0.062,620 -0.037,621 0.073,622 -0.09,623 -0.051,624 -0.078,625 0.128,626 -0.007,627 -0.063,628 0.093,629 -0.13,630 0.005,631 -0.149,632 0.01,633 -0.116,634 -0.057,635 -0.029,636 -0.049,637 0.047,638 -0.006,639 0.001,640 0.037,641 0.016,642 -0.158,643 0.093,644 -0.083,645 0.013,646 0.005,647 -0.111,648 0.036,649 -0.08,650 0.089,651 -0.081,652 0.032,653 5.98,654 7.756,655 0.396,656 78.656,657 1.027,658 1.136,659 1.589,660 2.525,661 0.644,662 4.043,663 4.407,664 4.605,665 4.836,666 5.004,667 5.088,668 5.226,669 5.313,670 5.384,671 5.338,672 9.98,673 0.635,674 738.81,675 4.043,676 5.617,677 6.454,678 7.347,679 8.206,680 9.101,681 9.971,682 10.868,683 11.745,684 12.642,685 4.3,692 4,698 2,699 11,704 3,706 17,711 1,720 93,723 24,724 3,725 56,727 96,728 37,729 16,730 5,731 11,732 1,735 4,736 5,741 3,743 1,745 3,748 9,749 23,750 14,751 1,754 7,759 7,763 7,766 2,768 40,769 16,770 5,771 16,775 4,780 0.75,781 10,786 1,788 1,789 3,793 1,798 1,800 2,801 1,802 1,810 1,811 2,813 3,817 3,819 2,821 53,827 2,828 6,829 3,830 1,833 3,834 1,835 2,839 2,840 10.8,842 2,843 7,845 1,847 30.333,848 17.136,849 11.431,850 5.437,851 2.556,852 1.304,853 0.91,854 13.449,855 10.965,856 4.284,857 4.82,858 5.256,859 5.742,860 6.226,861 6.43,862 6.811,863 7.116,864 7.389,865 7.313,866 0.909,867 85,868 20.954,870 10.404,871 8.396,872 35.789,874 29.362,877 2.896,878 153.5,882 411.989,883 189.42,884 57.157,886 272.381,887 29.92,889 189.42,890 684.37,891 87.077,892 26.476,893 71.935,894 104.239,895 282.448,896 57.018,897 6.763,898 411.989,900 411.989,901 246.577,902 302.301,905 211.88,906 502.41,908 1.824,909 98.411,910 146.342,913 441.909,914 329.538,915 189.42,918 413.813,919 56.882,920 133.839,921 54.032,922 302.301,923 411.989,924 359.458,925 189.42,927 0.594,928 0.327,929 0.169,930 0.09,931 34,932 20,933 0.167,934 16,935 1,936 1.095,937 5.471,938 584.587,939 0.095,940 21,941 289.58,945 41.009,946 17.382,947 10.89,948 0.619,949 359.458,950 16.298,955 -0.221,957 139.399,958 960.867,959 71.5,964 89.609,968 -9.461,969 95.494,970 105.655,971 0.262,972 0.603,973 0.79,974 0.887,975 0.906,976 0.909,977 5.565,978 2.333,979 6.503,980 7.135,981 5.094,982 5.509,983 4.156,984 7.368,985 5.042,986 6.788,987 2.235,988 8.113,989 6.969,990 4.977,991 5.472,992 4.097,993 8.595,994 4.86,995 8.115,996 2.178,997 9.835,998 6.56,999 6.797,1000 7.614,1001 5.746,1002 11.633,1003 6.668,1004 9.471,1005 2.065,1006 11.626,1007 5.976,1008 7.445,1009 8.323,1010 6.516,1011 13.665,1012 7.239,1013 10.857,1014 1.774,1015 13.462,1016 5.285,1017 8.832,1018 10.049,1019 7.826,1020 16.335,1021 8.603,1022 12.265,1023 1.518,1024 15.33,1025 4.853,1026 9.798,1027 11.112,1028 8.924,1029 18.683,1030 9.491,1031 13.69,1032 1.447,1033 17.224,1034 4.071,1035 11.048,1036 12.688,1037 10.175,1038 21.262,1039 10.703,1040 3.521,1041 1.409,1042 19.138,1043 3.694,1044 12.149,1045 13.946,1046 11.383,1047 23.74,1048 11.731,1049 3.163,1050 13.519,1051 21.069,1052 3.186,1053 13.36,1054 15.463,1055 12.632,1056 26.306,1057 12.891,1058 3.133,1059 10.873,1060 23.014,1061 4.507,1062 14.522,1063 16.829,1064 13.875,1065 28.843,1066 13.983,1067 3.118,1068 10.724,1069 24.971,1070 3.82,1071 15.727,1072 18.326,1073 15.129,1074 31.414,1075 15.128,1076 2.725,1077 10.155,1078 26.939,1079 3.455,1080 16.918,1081 19.753,1082 16.383,1083 33.98,1084 16.25,1085 2.595,1086 8.62,1087 28.916,1088 3.421,1089 18.127,1090 21.244,1091 17.64,1092 36.561,1093 17.395,1094 2.375,1095 8.094,1096 30.901,1097 3.208,1098 19.334,1099 22.705,1100 18.898,1101 39.142,1102 18.532,1103 49786,1104 91436,1105 34.906,1106 59.909,1107 86.367,1108 89.636,1109 88.052,1110 84.892,1111 84.626,1112 104.455,1113 35.911,1114 251.28,1115 82.648,1116 5.631,1117 6.651,1118 7.471,1119 5.528,1120 5.521,1121 7.507,1122 5.246,1123 21.708,1124 5.277,1125 38.982,1126 1.542,1127 1.601,1128 1.572,1129 1.516,1130 1.511,1131 1.865,1132 0.641,1133 4.487,1134 1.476,1135 4.109,1136 4.128,1137 4.07,1138 4.058,1139 8.363,1140 4.058,1141 3.976,1142 4.014,1143 3.909,1144 3.879,1145 7.999,1146 3.875,1147 3.896,1148 3.935,1149 3.821,1150 3.752,1151 7.478,1152 3.764,1153 3.773,1154 3.81,1155 3.735,1156 3.584,1157 7.472,1158 3.604,1159 3.745,1160 3.773,1161 3.662,1162 3.557,1163 7.439,1164 3.577,1165 3.678,1166 3.725,1167 3.559,1168 3.519,1169 7.43,1170 3.518,1171 3.543,1172 3.585,1173 3.467,1174 3.421,1175 7.425,1176 3.424,1177 3.447,1178 3.466,1179 3.391,1180 3.206,1181 7.422,1182 3.244,1183 0.083,1184 0.083,1185 0.137,1186 0.08,1187 0.063,1188 4.642,1189 0.08,1190 4.651,1191 0.063,1192 7.669,1193 0.241,1194 4.453,1195 0.059,1196 3.521,1197 4.507,1198 3.524,1199 13.519,1200 3.277,1201 2.077,1202 2.062,1203 2.147,1204 2.137,1205 1.298,1206 2.14,1207 1.928,1208 1.899,1209 2.056,1210 2.028,1211 1.253,1212 2.035,1213 1.752,1214 1.71,1215 1.951,1216 1.968,1217 1.233,1218 1.953,1219 1.69,1220 1.648,1221 1.912,1222 1.89,1223 1.209,1224 1.897,1225 1.669,1226 1.627,1227 1.865,1228 1.867,1229 1.117,1230 1.855,1231 1.589,1232 1.546,1233 1.768,1234 1.785,1235 0.987,1236 1.781,1237 1.517,1238 1.473,1239 1.679,1240 1.732,1241 0.9,1242 1.724,1243 1.47,1244 1.426,1245 1.642,1246 1.655,1247 0.725,1248 1.651,1249 4.727,1251 6.08,1252 2.398,1253 7.602,1254 4.595,1255 9.206,1256 6.605,1257 10.857,1259 4.751,1261 31.512,1264 18.888,1265 -1.001,1266 6.587,1267 5.207,1270 -4.686,1271 1.077,1272 -5.678,1273 59.009,1274 159.296,1275 366.569,1276 480.175,1277 539.248,1278 550.858,1279 552.858,1280 289.563,1281 8.409,1282 208.51,1283 208.51,1284 23,1285 13.17,1286 4.644,1287 4.044,1288 114.296,1289 309,1290 302,1291 0.17,1292 361.739,1293 670.96,1294 874.402,1295 60335,1296 2.2,1297 39.087,1298 0.737,1299 0.551,1300 37.294,1301 29.189,1302 24.867,1303 0.444,1304 0.299,1305 16.443,1306 23.657,1307 16.071,1308 13.258,1309 24.106,1310 16.728,1311 24.368,1312 0.301,1313 0.167,1314 23.175,1315 13.515,1316 18.044,1317 0.182,1318 0.084,1319 16.521,1320 8.335,1321 14.518,1322 0.116,1323 0.047,1324 14.207,1325 5.905,1326 10.961,1327 0.074,1328 0.025,1329 10.693,1330 3.72,1331 0.269,1332 158.422,1333 0.169,1334 44.62,1335 0.463,1336 274,1337 1083.05,1338 318.597,1339 966.469,1340 1237.27,1341 886,1342 317,1343 844.821,1344 357.425,1345 830.991,1346 1223.34,1347 778,1348 4.032}
{0 CHEMBL170276,1 1.749,2 12.407,3 4.458,4 19.875,5 105.992,6 8.219,7 0.429,8 3.99,9 4.085,10 3.775,11 3.557,12 5.085,13 3.507,14 4.517,15 4.657,16 4.044,17 3.901,18 5.872,19 3.831,20 4.759,21 4.947,22 4.183,23 4.033,24 5.865,25 3.918,26 4.813,27 5.013,28 4.179,29 3.948,30 6.105,31 3.859,32 4.709,33 4.898,34 3.887,35 3.84,36 5.878,37 3.764,38 4.616,39 4.802,40 3.866,41 3.864,42 5.828,43 3.765,44 4.674,45 4.885,46 3.764,47 3.876,48 5.778,49 3.745,50 4.606,51 4.821,52 3.748,53 3.803,54 5.627,55 3.671,56 0.132,57 0.684,58 12.571,59 5.256,60 24.714,61 5.941,62 0.49,63 1.023,64 19.857,65 8.626,66 74.714,67 10.295,68 0.445,69 1.236,70 34.425,71 11.237,72 61.027,73 12.925,74 0.802,75 1.204,76 40.193,77 11.711,78 98.891,79 13.395,80 0.698,81 1.089,82 30.634,83 9.52,84 91.873,85 10.679,86 0.57,87 1.07,88 27.452,89 9.497,90 70.341,91 11.281,92 0.567,93 1.085,94 30.057,95 9.937,96 86.768,97 12.247,98 0.489,99 1.008,100 27.748,101 9.536,102 59.176,103 11.706,105 44,106 38,107 0.296,108 0.623,109 0.78,110 0.878,111 0.892,112 0.892,113 3.339,114 1.107,115 -4.86,116 -4.76,117 -4.47,120 38,121 1,122 4,126 1,140 7,141 1,142 4,153 1,158 1,159 1,160 1,165 9,167 3,168 5,172 1,173 2,175 1,176 10,179 1,182 6,187 2,190 5,192 1,194 1,195 18,200 2,203 4,205 1,207 6,212 2,215 5,217 1,219 2,220 5,227 12,231 2,233 1,234 2,239 12,245 6,253 10,258 4,263 4,266 5,268 2,270 1267,271 17.438,272 17.438,273 17.438,274 17.438,275 17.438,276 15.416,277 18.189,278 10.608,279 17.937,280 13.86,281 13.86,282 13.86,283 13.86,284 13.86,285 10.768,286 19.814,287 5.11,288 14.756,289 3.895,290 1.963,291 1.038,292 0.455,293 0.375,294 0.375,295 4,298 1,301 1,302 1,303 680,304 4.301,307 204.185,313 2.096,314 40.366,317 1,318 0.83,319 0.83,320 1,321 0.5,322 1,323 1,324 0.88,325 59.333,326 335,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.168,337 3.242,338 5.785,339 3.74,340 2.778,341 3.816,342 1.276,343 8.204,344 2.668,345 3.832,346 2.971,347 5.541,348 3.302,349 2.377,350 3.384,351 0.86,352 7.093,353 2.166,354 3.55,355 2.825,356 4.97,357 3.192,358 2.236,359 2.71,361 5.827,362 2.137,363 3.344,364 2.565,365 4.73,366 2.985,367 2.054,368 2.588,370 5.213,371 1.909,372 3.247,373 2.342,374 4.659,375 2.843,376 1.882,377 2.498,379 5.182,380 1.79,381 2.864,382 1.925,383 4.1,384 2.625,385 1.644,386 2.022,388 3.401,389 1.607,390 2.724,391 1.756,392 3.73,393 2.354,394 1.414,395 1.725,397 3.207,398 1.27,399 2.658,400 1.554,401 3.603,402 2.143,403 1.155,404 1.71,406 2.842,407 1.129,408 2.125,409 1.291,410 3.19,411 1.972,412 1.023,413 1.088,415 2.13,416 0.963,417 1.417,418 0.783,419 3.163,420 1.223,421 0.288,422 0.309,424 0.625,425 0.267,426 1.204,427 0.575,428 2.663,429 0.833,430 -0.086,431 -0.104,433 -0.244,434 -0.071,435 1.096,436 0.291,437 2.633,438 0.626,439 -0.257,440 -0.331,442 -0.62,443 -0.184,444 1,445 -0.082,446 2.322,447 0.561,448 -0.353,449 -0.414,451 -0.874,452 -0.342,453 0.944,454 -0.129,455 2.171,456 0.481,457 -0.488,458 -0.56,460 -1.155,461 -0.474,462 13.181,463 0.488,464 0.81,465 0.03,466 33.75,467 1.25,468 17.5,469 0.648,470 16.25,471 0.602,472 23.003,473 0.852,474 30.619,475 0.612,476 26.02,477 0.964,478 6.397,479 0.237,480 6.379,481 0.236,482 0.203,483 0.063,484 0.228,490 0.651,491 1.213,492 0.733,493 1.211,494 0.806,495 0.969,496 0.672,497 1.079,498 0.683,499 0.96,500 0.467,501 0.983,502 1.094,503 1.043,504 0.891,505 0.986,506 0.892,507 0.978,508 1.033,509 0.978,510 1.036,511 1.116,512 0.947,513 0.904,514 1.709,515 0.814,516 0.951,517 0.807,518 1.577,519 0.861,520 0.953,521 1.006,522 0.959,523 1.029,524 0.882,525 0.984,526 1.05,527 0.862,528 1.023,529 0.933,530 1.172,531 1.02,532 0.954,533 0.969,534 0.87,535 0.95,536 0.786,537 0.999,538 7,539 0.157,540 2.667,541 2.563,542 1.253,543 0.938,544 0.469,545 0.396,546 0.275,547 0.147,548 8708,549 28201,550 1.925,551 46,552 7,553 9,556 3,557 2,558 2,560 1.698,561 1.77,562 3.545,563 0.981,565 1,569 87.44,570 1.749,571 3.681,572 4.606,573 5.189,574 5.269,575 5.269,576 3.087,577 4.431,578 4.718,579 3.776,580 1325.44,581 8.182,582 17885.4,584 1,586 1,587 282.193,588 1.632,589 4.655,590 0.25,591 0.009,592 0.07,593 0.069,594 0.034,595 0.03,596 0.015,597 0.014,598 0.011,599 0.007,600 0.509,601 0.17,602 1,603 1.891,604 136.69,605 0.047,606 0.025,607 0.149,608 -0.062,609 -0.18,610 0.037,611 0.286,612 -0.025,613 0.105,614 0.016,615 0.343,616 -0.012,617 -0.103,618 -0.019,619 0.106,620 0.046,621 -0.076,622 0.004,623 0.17,624 -0.028,625 0.122,626 -0.054,627 0.182,628 0.081,629 -0.316,630 0.136,631 -0.066,632 0.13,633 -0.256,634 0.059,635 0.05,636 0.01,637 -0.057,638 -0.016,639 0.063,640 -0.008,641 -0.082,642 0.095,643 -0.104,644 0.013,645 -0.14,646 -0.04,647 -0.03,648 -0.039,649 0.019,650 0.009,651 -0.038,652 -0.002,653 4.954,654 5.457,655 0.444,656 29.907,657 1.013,658 1.125,659 3.626,660 13.145,661 0.674,662 3.367,663 3.664,664 3.784,665 4.007,666 4.078,667 4.111,668 4.078,669 4.174,670 4.111,671 4.127,672 7.294,673 0.634,674 410.96,675 3.367,676 4.89,677 5.687,678 6.553,679 7.371,680 8.247,681 9.077,682 9.961,683 10.798,684 11.688,685 4,686 1,694 1,699 7,704 5,706 12,718 1,719 1,720 50,723 15,724 2,725 28,727 51,728 19,729 12,730 5,731 7,735 2,736 2,737 1,741 1,748 4,749 13,750 6,754 3,757 1,758 1,759 2,763 1,765 1,768 23,769 6,770 3,771 8,772 2,775 2,776 1,780 1,781 4,789 2,807 1,813 2,815 1,817 1,818 1,821 27,822 1,826 1,828 5,830 2,839 1,840 8,843 2,845 2,847 15.25,848 8.893,849 5.986,850 2.911,851 2.234,852 1.331,853 0.951,854 7.959,855 8.976,856 3.638,857 4.22,858 4.6,859 5.131,860 5.521,861 5.647,862 5.779,863 6.045,864 6.079,865 6.365,866 1,867 37,868 10.284,870 4.541,871 8.038,872 18.697,874 14.866,877 2.538,878 68.528,880 1,881 1,882 235.422,883 118.691,884 64.569,885 39.149,886 63.858,888 7.75,889 110.941,890 338.429,891 64.569,892 8.825,893 47.628,894 74.084,895 46.641,896 69.941,898 235.422,899 39.149,900 235.422,901 175.51,902 63.858,903 46.898,905 211.88,906 87.4,909 88.125,910 87.385,911 46.898,913 235.422,914 128.427,915 157.84,917 7.75,918 235.422,919 35.782,920 75.159,922 167.576,923 235.422,924 128.427,925 157.84,927 0.575,928 0.302,929 0.159,930 0.078,931 15,932 8,933 0.196,934 10,936 1,937 3.857,938 207.497,940 12,941 126.382,944 1,945 21.546,946 9.973,947 7.054,949 128.427,950 11.089,955 1.536,957 64.569,958 521.689,959 37,962 -4.038,963 7.179,964 24.915,968 0.191,969 50.633,970 56.265,971 0.31,972 0.652,973 0.816,974 0.919,975 0.934,976 0.934,977 4.86,978 1.414,979 5.7,980 3.401,981 4.344,982 4.905,983 3.298,984 6.506,985 4.215,986 6.09,987 1.155,988 7.263,989 3.207,990 4.111,991 5.027,992 0.904,993 7.703,994 3.843,995 7.432,996 1.023,997 8.949,998 2.842,999 5.974,1000 7.186,1001 5.519,1002 10.735,1003 5.691,1004 8.817,1005 0.288,1006 10.717,1007 2.13,1008 6.538,1009 8.109,1010 1.398,1011 12.825,1012 6.083,1013 10.242,1014 -0.086,1015 12.542,1016 0.625,1017 7.963,1018 9.856,1019 7.903,1020 15.508,1021 7.485,1022 11.696,1023 -0.257,1024 14.411,1025 -0.244,1026 8.901,1027 11.128,1028 1.841,1029 17.912,1030 8.251,1031 13.176,1032 -0.353,1033 16.313,1034 -0.62,1035 10.177,1036 12.74,1037 10.303,1038 20.504,1039 9.474,1040 3.436,1041 -0.488,1042 18.24,1043 -0.874,1044 11.281,1045 14.166,1046 2.286,1047 23.01,1048 10.424,1049 2.778,1050 12.878,1051 20.185,1052 -1.155,1053 12.513,1054 15.733,1055 12.705,1056 25.577,1057 11.576,1058 2.377,1059 8.204,1060 22.145,1061 4.744,1062 13.688,1063 17.227,1064 2.741,1065 28.115,1066 12.614,1067 2.236,1068 7.093,1069 24.115,1070 3.816,1071 14.911,1072 18.779,1073 15.107,1074 30.674,1075 13.74,1076 2.054,1077 5.827,1078 26.092,1079 3.384,1080 16.116,1081 20.305,1082 3.206,1083 33.224,1084 14.821,1085 1.882,1086 5.213,1087 28.076,1088 2.71,1089 17.34,1090 21.855,1091 17.51,1092 35.781,1093 15.939,1094 1.644,1095 5.182,1096 30.064,1097 2.588,1098 18.559,1099 23.395,1100 3.679,1101 38.334,1102 17.04,1103 8891,1104 16280,1105 17.682,1106 33.71,1107 40.565,1108 43.335,1109 42.026,1110 40.783,1111 40.575,1112 53.188,1113 10.92,1114 113.207,1115 37.997,1116 5.814,1117 7.26,1118 7.227,1119 5.43,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 16.707,1126 1.449,1127 1.548,1128 1.501,1129 1.457,1130 1.449,1131 1.9,1132 0.39,1133 4.043,1134 1.357,1135 4.079,1136 4.045,1137 4.737,1138 4.058,1139 7.721,1140 3.982,1141 3.897,1142 3.914,1143 3.885,1144 3.831,1145 6.999,1146 3.827,1147 3.752,1148 3.816,1149 3.84,1150 3.615,1151 5.875,1152 3.602,1153 3.587,1154 3.577,1155 3.609,1156 3.51,1157 4.919,1158 3.426,1159 3.494,1160 3.534,1161 3.358,1162 3.289,1163 4.862,1164 3.294,1165 3.197,1166 3.272,1167 3.285,1168 3.016,1169 4.792,1170 3.004,1171 3.081,1172 3.168,1173 3.031,1174 2.847,1175 4.43,1176 2.853,1177 2.879,1178 2.922,1179 2.91,1180 2.799,1181 4.336,1182 2.77,1183 0.175,1184 0.188,1185 0.264,1186 0.155,1187 0.123,1188 4.888,1189 0.169,1190 5.26,1191 0.119,1192 7.4,1193 0.46,1194 4.345,1195 0.11,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.954,1202 1.97,1203 2.019,1204 2.034,1205 1.332,1206 2.055,1207 1.878,1208 1.86,1209 1.977,1210 1.963,1211 1.151,1212 1.984,1213 1.746,1214 1.685,1215 1.952,1216 1.913,1217 1.102,1218 1.935,1219 1.458,1220 1.443,1221 1.709,1222 1.705,1223 0.946,1224 1.71,1225 1.383,1226 1.385,1227 1.515,1228 1.548,1229 0.597,1230 1.588,1231 1.183,1232 1.116,1233 1.379,1234 1.433,1235 0.485,1236 1.452,1237 1.052,1238 0.965,1239 1.151,1240 1.325,1241 0.454,1242 1.363,1243 0.868,1244 0.824,1245 1.115,1246 1.053,1247 0.168,1248 1.078,1249 4.043,1251 5.342,1253 6.819,1255 8.39,1257 10.015,1259 1.828,1260 5.962,1263 5.314,1265 3.627,1267 10.924,1273 31.711,1274 87.44,1275 184.029,1276 230.277,1277 259.438,1278 263.438,1279 263.438,1280 78.715,1281 6.743,1282 102.47,1283 110.85,1284 12,1285 12.229,1286 4,1287 3.322,1288 58.687,1289 115,1290 134,1291 0.244,1292 206.784,1293 363.14,1294 496.312,1295 7268,1296 2,1297 19.864,1298 0.736,1299 0.617,1300 20.614,1301 16.646,1302 12.776,1303 0.456,1304 0.369,1305 8.59,1306 11.316,1307 8.215,1308 6.868,1309 13.885,1310 10.328,1311 11.991,1312 0.316,1313 0.212,1314 13.643,1315 8.056,1316 8.212,1317 0.191,1318 0.127,1319 9.723,1320 5.444,1321 7.012,1322 0.13,1323 0.071,1324 8.74,1325 3.859,1326 4.703,1327 0.081,1328 0.039,1329 5.741,1330 2.251,1331 0.392,1332 91.288,1333 0.238,1334 26.5,1335 0.644,1336 132,1337 445.651,1338 198.785,1339 475.93,1340 620.49,1341 434,1342 147,1343 394.312,1344 222.895,1345 445.907,1346 642.85,1347 415,1348 5.62}
{0 CHEMBL170697,1 1.724,2 16.2,3 2.895,4 8.379,5 171.104,6 7.809,7 0.231,8 4.582,9 4.69,10 4.14,11 4.037,12 5.801,13 4.046,14 5.145,15 5.302,16 4.566,17 4.423,18 6.545,19 4.415,20 5.483,21 5.67,22 4.644,23 4.585,24 6.9,25 4.553,26 5.565,27 5.787,28 4.706,29 4.579,30 6.88,31 4.569,32 5.563,33 5.737,34 4.779,35 4.582,36 7.086,37 4.614,38 5.604,39 5.794,40 4.871,41 4.678,42 7.091,43 4.691,44 5.702,45 5.886,46 4.922,47 4.73,48 7.182,49 4.747,50 5.754,51 5.952,52 4.863,53 4.736,54 7.221,55 4.744,56 0.34,57 1.373,58 17.153,59 8.363,60 59.086,61 10.1,62 1.203,63 2.314,64 34.743,65 13.702,66 191.217,67 17.824,68 2.198,69 2.668,70 54.624,71 17.323,72 346.174,73 22.861,74 1.958,75 2.813,76 62.577,77 17.952,78 327.473,79 24.906,80 2.646,81 2.948,82 60.812,83 16.362,84 427.195,85 20.106,86 2.334,87 3.209,88 62.625,89 19.655,90 385.374,91 24.862,92 2.642,93 3.507,94 69.852,95 21.356,96 443.047,97 26.502,98 3.245,99 3.592,100 77.224,101 21.387,102 565.624,103 26.078,105 222,106 74,107 0.257,108 0.575,109 0.766,110 0.854,111 0.872,112 0.872,113 3.934,114 0.91,115 -2.16,116 -2.2,117 -2.18,120 37.8,121 3,122 6,126 1,128 3,130 1,131 1,140 9,141 2,142 1,151 1,153 5,154 1,162 2,164 2,165 14,166 2,167 2,168 7,171 6,173 6,176 17,177 2,181 1,182 6,185 4,187 7,190 8,191 2,194 1,195 16,198 1,200 10,201 1,203 2,204 1,206 6,207 10,208 2,210 3,211 2,212 6,213 1,215 3,216 1,219 3,220 13,221 2,223 4,224 2,225 4,227 7,230 3,231 22,232 1,234 3,236 5,239 8,240 2,244 5,245 11,246 1,248 4,250 8,251 1,253 9,254 3,257 1,258 11,259 1,261 3,262 1,263 8,266 19,270 6638,271 31.633,272 31.633,273 31.633,274 31.633,275 31.633,276 29.146,277 39.137,278 18.509,279 32.064,280 25.629,281 25.629,282 25.629,283 25.629,284 25.629,285 21.649,286 46.018,287 8.816,288 26.332,289 4.767,290 2.63,291 1.351,292 0.756,293 0.636,294 0.636,295 4.604,303 1648,304 7.036,306 184.014,307 420.625,313 2.544,314 124.15,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 115,326 810,327 4.636,328 4.651,329 7.669,330 4.452,331 3.521,332 3.838,333 3.524,334 13.519,335 3.276,336 4.273,337 3.951,338 6.731,339 4.122,340 3.163,341 3.662,342 2.397,343 10.873,344 3.036,345 4.154,346 3.766,347 6.446,348 4.062,349 3.118,350 3.453,351 2.341,352 10.155,353 2.923,354 4.092,355 3.65,356 6.064,357 3.739,358 2.751,359 3.421,360 2.19,361 8.625,362 2.713,363 3.944,364 3.635,365 5.921,366 3.683,367 2.696,368 3.208,369 2.012,370 8.134,371 2.652,372 3.832,373 3.591,374 5.637,375 3.58,376 2.59,377 3.002,378 1.944,379 7.83,380 2.562,381 3.628,382 3.477,383 5.327,384 3.322,385 2.329,386 2.842,387 1.899,388 6.692,389 2.302,390 3.542,391 3.17,392 5.195,393 3.222,394 2.238,395 2.704,396 1.267,397 6.343,398 2.189,399 3.502,400 2.934,401 5.096,402 3.176,403 2.18,404 2.645,405 0.635,406 5.955,407 2.141,408 3.424,409 2.733,410 4.794,411 3.068,412 2.073,413 2.555,414 0.366,415 5.284,416 2.029,417 3.192,418 2.663,419 4.667,420 2.825,421 1.834,422 2.356,423 0.242,424 4.856,425 1.796,426 3.029,427 2.578,428 4.579,429 2.746,430 1.752,431 2.073,432 0.207,433 4.509,434 1.723,435 2.922,436 2.185,437 4.356,438 2.494,439 1.482,440 2.038,441 0.086,442 3.838,443 1.493,444 2.705,445 2.104,446 4.019,447 2.33,448 1.342,449 1.758,450 0.05,451 3.184,452 1.311,453 2.619,454 1.983,455 3.675,456 2.277,457 1.28,458 1.593,460 3.014,461 1.261,462 22.505,463 0.45,464 1.805,465 0.036,466 54.5,467 1.09,468 23,469 0.46,470 31.5,471 0.63,472 60.729,473 1.215,474 58.495,475 0.65,476 64.857,477 1.297,478 11.04,479 0.221,480 12.327,481 0.247,482 0.225,483 0.044,484 0.307,486 2,490 0.697,491 1.235,492 0.755,493 1.208,494 0.628,495 1.038,496 0.502,497 1.185,498 0.733,499 1.195,500 0.485,501 1.075,502 0.886,503 0.968,504 1.053,505 1.065,506 0.811,507 1.11,508 0.965,509 1.048,510 0.832,511 0.967,512 0.996,513 0.872,514 1.416,515 1.102,516 1.19,517 0.891,518 1.429,519 0.933,520 1.031,521 1.187,522 0.884,523 1.005,524 1.03,525 0.912,526 1.225,527 1.296,528 0.999,529 1.096,530 1.258,531 0.995,532 1.457,533 1.148,534 1.185,535 0.868,536 1.461,537 0.91,538 14.5,539 0.448,540 6,541 4.368,542 3.183,543 2.379,544 2.121,545 1.484,546 1.257,547 0.715,548 42105,549 147562,550 1.897,551 44.4,553 14,556 5,557 4,558 17,560 1.858,561 1.714,562 3.933,563 2.066,569 155.197,570 1.724,571 3.862,572 5.141,573 5.736,574 5.855,575 5.855,576 3.386,577 5.309,578 5.612,579 4.164,580 5101.42,581 10.026,582 104460,587 584.267,588 1.743,589 5.522,590 0.279,591 0.006,592 0.081,593 0.058,594 0.039,595 0.028,596 0.022,597 0.015,598 0.014,599 0.008,600 0.55,601 0.17,602 0.63,603 1.639,604 300.535,605 -0.075,606 -0.08,608 -0.008,609 -0.066,610 0.018,611 0.238,612 -0.061,613 0.12,614 -0.091,615 0.18,616 -0.045,617 0.05,618 0.039,619 -0.107,620 -0.062,621 0.048,622 -0.132,623 -0.035,624 -0.083,625 0.159,626 -0.002,627 -0.041,628 0.116,629 -0.174,630 0.021,631 -0.172,632 0.044,633 -0.142,634 -0.039,635 0.03,636 -0.051,637 0.102,638 -0.001,639 0.045,640 0.06,641 -0.058,642 -0.138,643 0.011,644 -0.09,645 -0.063,646 -0.032,647 -0.186,648 0.045,649 -0.133,650 0.091,651 -0.16,652 0.02,653 5.917,654 7.516,655 0.34,656 75.101,657 1.028,658 1.141,659 0.927,660 0.859,661 0.632,662 3.97,663 4.317,664 4.466,665 4.673,666 4.787,667 4.875,668 4.97,669 5.056,670 5.112,671 5.075,672 9.717,673 0.622,674 702.78,675 3.97,676 5.533,677 6.351,678 7.233,679 8.074,680 8.959,681 9.812,682 10.7,683 11.56,684 12.449,685 4.4,692 4,699 9,704 3,706 12,720 90,723 19,724 2,725 52,727 92,728 34,729 12,730 3,731 9,735 3,736 3,741 3,743 1,745 3,748 10,749 19,750 15,751 1,754 7,759 7,763 7,766 2,768 40,769 16,770 5,771 16,775 4,780 1,781 10,786 1,788 1,789 2,798 1,800 2,801 1,802 2,810 1,811 2,813 3,817 3,819 2,821 50,827 2,828 7,829 3,830 1,833 3,834 1,835 2,839 2,840 11.1,842 2,843 7,845 1,847 29.167,848 16.469,849 10.847,850 5.221,851 1.448,852 1.182,853 0.891,854 14.164,855 9.415,856 4.19,857 4.673,858 4.984,859 5.365,860 5.705,861 5.731,862 5.918,863 6.175,864 6.198,865 6.273,866 0.909,867 75,868 19.743,870 9.687,871 8.453,872 33.642,874 27.232,877 2.953,878 147.667,882 411.989,883 167.856,884 57.157,886 272.381,887 29.92,889 167.856,890 684.37,891 87.077,892 26.476,893 74.469,894 85.286,895 282.448,896 51.872,897 6.763,898 411.989,900 411.989,901 225.013,902 302.301,905 211.88,906 502.41,908 1.824,909 100.945,910 122.244,913 441.909,914 329.538,915 167.856,918 413.813,919 54.27,920 114.886,921 54.032,922 302.301,923 411.989,924 359.458,925 167.856,927 0.591,928 0.313,929 0.16,930 0.082,931 29,932 18,933 0.185,934 17,936 1,937 5.281,938 523.453,940 17,941 271.438,945 40.198,946 17.617,947 12.253,949 359.458,950 13.031,955 0.405,957 139.399,958 939.303,959 65,964 88.139,968 -9.155,969 92.494,970 102.655,971 0.266,972 0.595,973 0.792,974 0.884,975 0.902,976 0.902,977 5.468,978 2.238,979 6.399,980 6.692,981 5.004,982 5.361,983 4.236,984 7.242,985 4.947,986 6.676,987 2.18,988 7.996,989 6.343,990 4.89,991 5.286,992 4.228,993 8.467,994 4.762,995 7.99,996 2.073,997 9.708,998 5.955,999 6.691,1000 7.351,1001 5.845,1002 11.481,1003 6.547,1004 9.331,1005 1.834,1006 11.49,1007 5.284,1008 7.334,1009 7.961,1010 6.61,1011 13.528,1012 7.101,1013 10.7,1014 1.752,1015 13.32,1016 4.856,1017 8.712,1018 9.614,1019 7.9,1020 16.197,1021 8.45,1022 12.089,1023 1.482,1024 15.186,1025 4.509,1026 9.674,1027 10.52,1028 8.979,1029 18.564,1030 9.319,1031 13.494,1032 1.342,1033 17.081,1034 3.838,1035 10.92,1036 12.019,1037 10.216,1038 21.153,1039 10.519,1040 3.521,1041 1.28,1042 18.999,1043 3.184,1044 12.022,1045 13.076,1046 11.412,1047 23.649,1048 11.532,1049 3.163,1050 13.519,1051 20.935,1052 3.014,1053 13.233,1054 14.503,1055 12.653,1056 26.227,1057 12.682,1058 3.118,1059 10.873,1060 22.888,1061 3.838,1062 14.398,1063 15.648,1064 13.889,1065 28.778,1066 13.763,1067 2.751,1068 10.155,1069 24.854,1070 3.662,1071 15.606,1072 17.035,1073 15.139,1074 31.361,1075 14.901,1076 2.696,1077 8.625,1078 26.83,1079 3.453,1080 16.802,1081 18.237,1082 16.39,1083 33.936,1084 16.016,1085 2.59,1086 8.134,1087 28.816,1088 3.421,1089 18.016,1090 19.599,1091 17.645,1092 36.525,1093 17.156,1094 2.329,1095 7.83,1096 30.81,1097 3.208,1098 19.229,1099 20.839,1100 18.901,1101 39.113,1102 18.29,1103 42224,1104 79305,1105 32.016,1106 56.909,1107 79.348,1108 82.513,1109 80.922,1110 78.01,1111 77.763,1112 93.591,1113 38.317,1114 226.901,1115 75.788,1116 5.625,1117 6.651,1118 7.471,1119 5.527,1120 5.521,1121 6.838,1122 5.246,1123 21.707,1124 5.276,1125 37.763,1126 1.526,1127 1.587,1128 1.556,1129 1.5,1130 1.495,1131 1.8,1132 0.737,1133 4.363,1134 1.457,1135 4.009,1136 4.046,1137 3.948,1138 3.903,1139 8.363,1140 3.904,1141 3.925,1142 3.959,1143 3.86,1144 3.853,1145 7.999,1146 3.848,1147 3.896,1148 3.934,1149 3.82,1150 3.751,1151 7.478,1152 3.763,1153 3.771,1154 3.81,1155 3.717,1156 3.584,1157 7.472,1158 3.599,1159 3.73,1160 3.756,1161 3.658,1162 3.545,1163 7.439,1164 3.567,1165 3.677,1166 3.722,1167 3.559,1168 3.515,1169 7.43,1170 3.516,1171 3.495,1172 3.528,1173 3.424,1174 3.268,1175 7.425,1176 3.296,1177 3.436,1178 3.457,1179 3.368,1180 3.172,1181 7.422,1182 3.212,1183 0.089,1184 0.089,1185 0.147,1186 0.086,1187 0.068,1188 4.636,1189 0.074,1190 4.651,1191 0.068,1192 7.669,1193 0.26,1194 4.452,1195 0.063,1196 3.521,1197 3.838,1198 3.524,1199 13.519,1200 3.276,1201 1.931,1202 1.903,1203 2.057,1204 2.04,1205 1.253,1206 2.04,1207 1.919,1208 1.892,1209 2.031,1210 2.012,1211 1.233,1212 2.02,1213 1.752,1214 1.71,1215 1.951,1216 1.968,1217 1.209,1218 1.953,1219 1.689,1220 1.645,1221 1.912,1222 1.888,1223 1.169,1224 1.897,1225 1.665,1226 1.625,1227 1.865,1228 1.861,1229 1.117,1230 1.852,1231 1.576,1232 1.533,1233 1.764,1234 1.772,1235 0.987,1236 1.774,1237 1.484,1238 1.433,1239 1.655,1240 1.73,1241 0.9,1242 1.711,1243 1.38,1244 1.35,1245 1.567,1246 1.635,1247 0.702,1248 1.606,1249 4.654,1251 5.994,1252 2.398,1253 7.494,1254 4.595,1255 9.07,1256 6.605,1257 10.69,1259 4.755,1261 31.031,1264 18.21,1265 -1.371,1266 6.575,1267 5.195,1270 -4.622,1271 1.082,1272 -5.607,1273 56.009,1274 155.197,1275 347.571,1276 462.679,1277 516.228,1278 526.983,1279 526.983,1280 314.124,1281 7.967,1282 208.51,1283 208.51,1284 17,1285 12.985,1286 4.322,1287 3.807,1288 125.057,1289 284,1290 320,1291 0.204,1292 346.21,1293 647.6,1294 836.512,1295 33649,1296 2.2,1297 37.225,1298 0.745,1299 0.555,1300 35.432,1301 27.742,1302 23.367,1303 0.449,1304 0.303,1305 15.489,1306 22.15,1307 15.13,1308 12.491,1309 22.606,1310 15.775,1311 22.942,1312 0.31,1313 0.172,1314 21.75,1315 12.735,1316 16.125,1317 0.187,1318 0.087,1319 14.602,1320 7.525,1321 12.88,1322 0.122,1323 0.05,1324 12.568,1325 5.279,1326 9.129,1327 0.077,1328 0.027,1329 8.865,1330 3.185,1331 0.323,1332 149.422,1333 0.177,1334 42.723,1335 0.557,1336 252,1337 1037.05,1338 296.597,1339 918.193,1340 1161.57,1341 840,1342 286,1343 779.821,1344 325.761,1345 763.085,1346 1116.49,1347 713,1348 5.403}
{0 CHEMBL171769,1 1.836,2 15.68,3 2.084,4 4.342,5 173.138,6 8.133,7 0.231,8 4.577,9 4.682,10 4.262,11 4.051,12 5.772,13 4.047,14 5.149,15 5.3,16 4.633,17 4.433,18 6.63,19 4.421,20 5.48,21 5.661,22 4.703,23 4.591,24 6.929,25 4.557,26 5.563,27 5.777,28 4.745,29 4.576,30 6.911,31 4.568,32 5.556,33 5.732,34 4.798,35 4.577,36 7.095,37 4.602,38 5.592,39 5.78,40 4.88,41 4.67,42 7.076,43 4.681,44 5.693,45 5.875,46 4.993,47 4.727,48 7.228,49 4.744,50 5.752,51 5.944,52 4.931,53 4.734,54 7.328,55 4.743,56 0.384,57 1.412,58 19.214,59 8.426,60 73.201,61 9.814,62 1.329,63 2.34,64 36.253,65 14.098,66 222.451,67 17.519,68 2.275,69 2.673,70 55.763,71 17.796,72 355.505,73 22.472,74 2.169,75 2.804,76 64.085,77 17.893,78 369.453,79 23.892,80 2.771,81 2.935,82 61.443,83 16.769,84 441.571,85 19.995,86 2.433,87 3.185,88 62.058,89 19.494,90 418.533,91 23.924,92 2.85,93 3.54,94 71.132,95 21.924,96 505.619,97 26.391,98 3.687,99 3.574,100 77.339,101 21.34,102 661.361,103 25.557,105 246,106 76,107 0.273,108 0.594,109 0.772,110 0.855,111 0.865,112 0.865,113 3.934,114 0.978,115 -1.29,116 -1.38,117 -1.44,120 36,121 3,122 5,126 1,128 3,130 1,131 1,140 9,141 1,142 2,151 1,153 4,154 1,158 1,159 1,160 1,162 1,164 1,165 11,166 1,167 3,168 6,170 2,171 7,173 5,176 14,177 1,181 1,182 9,185 4,187 7,190 6,192 2,194 1,195 16,198 1,200 8,201 1,203 1,205 1,206 6,207 10,208 2,210 5,211 3,212 6,214 1,215 3,217 1,219 3,220 11,221 2,223 3,224 1,225 3,227 7,230 5,231 21,233 1,234 4,236 5,239 8,240 2,244 4,245 10,246 1,248 3,250 7,251 1,253 8,254 3,257 3,258 11,260 1,261 4,262 1,263 7,266 17,270 6554,271 31.244,272 31.244,273 31.244,274 31.244,275 31.244,276 28.662,277 36.531,278 17.997,279 31.825,280 25.604,281 25.604,282 25.604,283 25.604,284 25.604,285 21.411,286 40.203,287 8.539,288 26.559,289 4.64,290 2.486,291 1.29,292 0.734,293 0.666,294 0.666,295 4.601,303 1595,304 7.176,306 183.897,307 419.989,313 2.427,314 130.475,317 0.25,318 0.33,319 0.33,320 0.7,321 1,322 0.17,324 0.4,325 115.5,326 784,327 4.805,328 4.663,329 7.669,330 4.453,331 3.521,332 4.665,333 3.524,334 13.519,335 3.276,336 4.634,337 4.65,338 7.116,339 4.234,340 3.319,341 3.826,342 2.341,343 11.69,344 3.037,345 4.273,346 3.951,347 6.731,348 4.122,349 3.163,350 3.464,351 2.19,352 10.873,353 3.007,354 4.154,355 3.766,356 6.446,357 4.062,358 3.118,359 3.422,360 2.012,361 10.155,362 2.923,363 3.961,364 3.65,365 6.064,366 3.712,367 2.728,368 3.406,369 1.944,370 8.622,371 2.674,372 3.875,373 3.591,374 5.919,375 3.589,376 2.6,377 3.208,378 1.899,379 8.101,380 2.57,381 3.83,382 3.477,383 5.447,384 3.452,385 2.476,386 2.997,387 1.267,388 7.241,389 2.415,390 3.556,391 3.17,392 5.284,393 3.258,394 2.277,395 2.711,396 0.635,397 6.598,398 2.222,399 3.514,400 2.921,401 5.171,402 3.183,403 2.182,404 2.664,405 0.366,406 5.989,407 2.16,408 3.427,409 2.685,410 4.805,411 3.071,412 2.076,413 2.556,414 0.207,415 5.288,416 2.031,417 3.088,418 2.578,419 4.698,420 2.788,421 1.789,422 2.234,423 0.086,424 4.889,425 1.766,426 3.001,427 2.479,428 4.6,429 2.624,430 1.646,431 2.058,432 0.05,433 4.631,434 1.598,435 2.91,436 2.104,437 4.455,438 2.457,439 1.451,440 2.031,442 3.75,443 1.456,444 2.668,445 1.983,446 4.019,447 2.311,448 1.313,449 1.677,451 3.182,452 1.298,453 2.6,454 1.64,455 3.676,456 2.247,457 1.253,458 1.59,460 3.006,461 1.227,462 22.738,463 0.455,464 1.988,465 0.04,466 56,467 1.12,468 24.5,469 0.49,470 31.5,471 0.63,472 60.585,473 1.212,474 58.862,475 0.661,476 66.891,477 1.338,478 10.995,479 0.22,480 12.19,481 0.244,482 0.241,483 0.081,484 0.281,486 2,490 0.653,491 1.264,492 0.784,493 1.284,494 0.648,495 1.031,496 0.515,497 1.168,498 0.777,499 1.167,500 0.488,501 1.054,502 0.896,503 0.978,504 1.006,505 1.045,506 0.806,507 1.099,508 1.039,509 1.049,510 0.831,511 0.927,512 1.067,513 0.884,514 1.35,515 1.072,516 1.092,517 0.857,518 1.353,519 0.925,520 1.073,521 1.165,522 0.827,523 0.933,524 1.051,525 0.914,526 1.109,527 1.293,528 0.827,529 1.051,530 1.13,531 0.976,532 1.36,533 1.08,534 1.015,535 0.807,536 1.336,537 0.905,538 15.5,539 0.448,540 6.889,541 4.493,542 3.361,543 2.448,544 2.122,545 1.578,546 1.232,547 0.755,548 41713,549 153145,550 1.882,551 43.8,553 14,556 6,557 2,558 17,560 1.858,561 1.69,562 3.895,563 2.836,569 163.381,570 1.836,571 3.99,572 5.185,573 5.742,574 5.81,575 5.81,576 3.327,577 5.254,578 5.614,579 4.14,580 5070.91,581 10.027,582 103553,587 576.34,588 1.8,589 5.51,590 0.298,591 0.006,592 0.091,593 0.058,594 0.041,595 0.028,596 0.023,597 0.016,598 0.013,599 0.009,600 0.583,601 0.17,602 0.63,603 1.588,604 300.139,605 -0.047,606 -0.08,607 0.101,608 -0.028,609 -0.093,610 0.031,611 0.252,612 -0.045,613 0.096,614 -0.076,615 0.215,616 -0.032,617 0.042,618 0.021,619 -0.09,620 -0.062,621 0.054,622 -0.122,623 -0.075,624 -0.095,625 0.102,626 -0.007,627 -0.081,628 0.09,629 -0.143,630 0.03,631 -0.152,632 0.041,633 -0.12,634 -0.03,635 -0.017,636 -0.046,637 0.064,638 0.005,639 0.006,640 0.049,641 0.03,642 -0.155,643 0.101,644 -0.09,645 0.013,646 -0.009,647 -0.087,648 0.088,649 -0.073,650 0.089,651 -0.055,652 0.014,653 5.991,654 7.491,655 0.34,656 73.286,657 1.031,658 1.142,659 0.061,660 0.004,661 0.638,662 3.97,663 4.344,664 4.489,665 4.673,666 4.804,667 4.875,668 4.997,669 5.043,670 5.112,671 5.088,672 9.619,673 0.626,674 723.83,675 3.97,676 5.549,677 6.372,678 7.263,679 8.109,680 9.001,681 9.858,682 10.75,683 11.615,684 12.507,685 5.6,689 1,692 4,699 9,704 3,706 12,720 89,723 20,724 2,725 52,727 91,728 32,729 12,730 3,731 9,735 3,736 3,741 3,743 1,745 3,748 9,749 18,750 14,751 1,754 8,757 1,759 8,763 6,766 2,768 39,769 17,770 6,771 18,772 1,775 5,780 1,781 10,786 1,788 1,789 2,798 1,800 2,801 1,802 1,810 1,811 1,813 3,815 1,817 3,819 2,821 50,822 1,824 1,827 1,828 6,829 3,830 1,833 3,834 1,835 2,839 2,840 11.2,842 1,843 8,845 1,847 29.583,848 16.186,849 10.681,850 5.033,851 1.511,852 1.19,853 0.909,854 13.634,855 9.478,856 4.205,857 4.736,858 5.043,859 5.406,860 5.777,861 5.801,862 6.093,863 6.103,864 6.299,865 6.297,866 1,867 77,868 20.151,870 10.332,871 8.508,872 33.565,874 27.479,877 3.008,878 150.417,882 388.446,883 168.585,884 88.448,886 248.866,887 29.92,888 5.807,889 162.777,890 637.312,891 118.368,892 26.476,893 71.935,894 122.385,895 258.023,896 50.237,897 6.763,898 388.446,900 388.446,901 251.225,902 278.786,903 5.807,905 188.338,906 478.895,908 1.824,909 98.411,910 150.991,911 5.807,913 418.367,914 337.314,915 168.585,917 5.807,918 390.27,919 49.191,920 114.886,921 54.032,922 310.077,923 388.446,924 367.234,925 168.585,927 0.6,928 0.319,929 0.156,930 0.081,931 31,932 19,933 0.176,934 16,936 1,937 5.224,938 527.814,940 17,941 269.438,944 1,945 40.481,946 16.84,947 11.826,949 367.234,950 11.895,955 -0.533,957 128.007,958 924.265,959 66,962 -4.254,964 100.319,968 -8.186,969 91.789,970 101.659,971 0.283,972 0.616,973 0.801,974 0.887,975 0.897,976 0.897,977 5.497,978 2.277,979 6.447,980 7.241,981 5.03,982 5.425,983 4.089,984 7.323,985 4.955,986 6.736,987 2.182,988 8.071,989 6.598,990 5.017,991 5.551,992 4.097,993 8.659,994 4.852,995 8.084,996 2.076,997 9.813,998 5.989,999 6.777,1000 7.564,1001 5.718,1002 11.648,1003 6.586,1004 9.465,1005 1.789,1006 11.624,1007 5.288,1008 7.502,1009 8.442,1010 6.516,1011 13.748,1012 7.206,1013 10.877,1014 1.646,1015 13.481,1016 4.889,1017 8.865,1018 10.082,1019 7.819,1020 16.403,1021 8.529,1022 12.312,1023 1.451,1024 15.37,1025 4.631,1026 9.876,1027 11.286,1028 8.924,1029 18.78,1030 9.439,1031 13.765,1032 1.313,1033 17.283,1034 3.75,1035 11.122,1036 12.825,1037 10.173,1038 21.355,1039 10.628,1040 3.521,1041 1.253,1042 19.214,1043 3.182,1044 12.249,1045 14.188,1046 11.383,1047 23.842,1048 11.662,1049 3.319,1050 13.519,1051 21.16,1052 3.006,1053 13.463,1054 15.703,1055 12.632,1056 26.403,1057 12.809,1058 3.163,1059 11.69,1060 23.117,1061 4.665,1062 14.64,1063 17.147,1064 13.875,1065 28.939,1066 13.898,1067 3.118,1068 10.873,1069 25.085,1070 3.826,1071 15.85,1072 18.663,1073 15.129,1074 31.505,1075 15.035,1076 2.728,1077 10.155,1078 27.06,1079 3.464,1080 17.05,1081 20.151,1082 16.383,1083 34.066,1084 16.152,1085 2.6,1086 8.622,1087 29.043,1088 3.422,1089 18.263,1090 21.671,1091 17.64,1092 36.64,1093 17.29,1094 2.476,1095 8.101,1096 31.031,1097 3.406,1098 19.476,1099 23.183,1100 18.898,1101 39.215,1102 18.422,1103 41850,1104 80551,1105 31.611,1106 56.801,1107 80.143,1108 84.054,1109 81.54,1110 79.078,1111 78.793,1112 96.316,1113 33.037,1114 236.238,1115 76.193,1116 5.794,1117 6.663,1118 7.471,1119 5.527,1120 5.521,1121 7.665,1122 5.246,1123 21.708,1124 5.276,1125 39.043,1126 1.541,1127 1.616,1128 1.568,1129 1.521,1130 1.515,1131 1.852,1132 0.635,1133 4.543,1134 1.465,1135 4.076,1136 4.072,1137 4.729,1138 4.053,1139 8.363,1140 3.972,1141 3.974,1142 4,1143 3.926,1144 3.879,1145 7.999,1146 3.872,1147 3.896,1148 3.935,1149 3.822,1150 3.753,1151 7.726,1152 3.764,1153 3.775,1154 3.81,1155 3.78,1156 3.593,1157 7.475,1158 3.605,1159 3.753,1160 3.773,1161 3.681,1162 3.58,1163 7.44,1164 3.578,1165 3.68,1166 3.725,1167 3.638,1168 3.527,1169 7.43,1170 3.519,1171 3.623,1172 3.629,1173 3.557,1174 3.497,1175 7.425,1176 3.46,1177 3.445,1178 3.472,1179 3.386,1180 3.192,1181 7.422,1182 3.227,1183 0.092,1184 0.09,1185 0.147,1186 0.086,1187 0.068,1188 4.805,1189 0.09,1190 4.663,1191 0.068,1192 7.669,1193 0.26,1194 4.453,1195 0.063,1196 3.521,1197 4.665,1198 3.524,1199 13.519,1200 3.276,1201 1.957,1202 1.962,1203 2.057,1204 2.045,1205 1.253,1206 2.067,1207 1.927,1208 1.898,1209 1.984,1210 2.019,1211 1.233,1212 2.034,1213 1.752,1214 1.71,1215 1.951,1216 1.968,1217 1.209,1218 1.953,1219 1.689,1220 1.647,1221 1.912,1222 1.888,1223 1.152,1224 1.897,1225 1.666,1226 1.627,1227 1.865,1228 1.862,1229 1.117,1230 1.854,1231 1.58,1232 1.544,1233 1.763,1234 1.776,1235 0.986,1236 1.78,1237 1.492,1238 1.478,1239 1.653,1240 1.731,1241 0.9,1242 1.726,1243 1.45,1244 1.427,1245 1.438,1246 1.652,1247 0.574,1248 1.671,1249 4.654,1251 6.014,1252 2.398,1253 7.533,1254 4.595,1255 9.125,1256 6.605,1257 10.759,1259 4.731,1261 30.981,1263 5.061,1264 9.19,1265 -1.043,1266 6.403,1267 5.186,1270 -4.705,1271 1.062,1272 -5.691,1273 55.691,1274 163.381,1275 355.104,1276 461.507,1277 511.056,1278 517.056,1279 517.056,1280 324.929,1281 7.967,1282 231.37,1283 239.75,1284 17,1285 13.04,1286 4.392,1287 3.907,1288 125.051,1289 282,1290 276,1291 0.206,1292 347.878,1293 645.15,1294 840.581,1295 33367,1296 2.2,1297 37.441,1298 0.749,1299 0.566,1300 35.898,1301 28.298,1302 23.184,1303 0.446,1304 0.326,1305 15.256,1306 21.211,1307 14.774,1308 12.202,1309 23.318,1310 16.959,1311 23.51,1312 0.309,1313 0.186,1314 23.704,1315 14.099,1316 16.436,1317 0.187,1318 0.095,1319 15.656,1320 8.316,1321 12.674,1322 0.12,1323 0.053,1324 12.89,1325 5.656,1326 9.219,1327 0.076,1328 0.029,1329 9.441,1330 3.5,1331 0.325,1332 157.365,1333 0.178,1334 42.642,1335 0.563,1336 256,1337 1060.81,1338 334.71,1339 963.814,1340 1222.01,1341 876,1342 292,1343 804.482,1344 373.046,1345 823.98,1346 1202.47,1347 767,1348 5.987}
{0 CHEMBL173276,1 1.949,2 8.739,3 3.327,4 11.066,5 91.363,6 10.618,7 0.24,8 3.664,9 3.718,10 3.564,11 3.262,12 4.979,13 3.254,14 4.158,15 4.234,16 4.051,17 3.654,18 5.606,19 3.63,20 4.253,21 4.352,22 4.003,23 3.732,24 5.596,25 3.691,26 4.359,27 4.474,28 3.975,29 3.72,30 5.801,31 3.66,32 4.238,33 4.336,34 3.934,35 3.602,36 5.769,37 3.544,38 4.135,39 4.206,40 3.934,41 3.46,42 5.704,43 3.44,44 4.009,45 4.088,46 3.775,47 3.275,48 5.801,49 3.273,50 3.8,51 3.906,52 3.543,53 3.11,54 5.358,55 3.075,56 0.226,57 0.466,58 2.34,59 2.886,60 18.105,61 2.481,62 0.581,63 0.772,64 10.782,65 5.46,66 59.553,67 3.997,68 0.441,69 0.832,70 9.77,71 6.298,72 48.02,73 5.369,74 0.646,75 0.928,76 16.924,77 7.653,78 80.529,79 5.764,80 0.684,81 0.814,82 15.884,83 6.979,84 90.175,85 5.445,86 0.613,87 0.758,88 15.807,89 6.39,90 71.965,91 3.986,92 0.692,93 0.624,94 9.807,95 4.723,96 110.354,97 3.364,98 0.361,99 0.532,100 11.752,101 4.681,102 52.388,103 3.666,105 31,106 36,107 0.357,108 0.749,109 0.846,110 0.868,111 0.88,112 0.88,113 3.189,114 0.921,115 -3.29,116 -3.28,117 -3.14,120 42.4,126 1,127 1,134 1,135 2,138 1,140 2,141 1,142 3,153 1,154 1,161 2,165 3,167 3,168 6,176 3,182 13,190 3,194 1,195 9,203 2,206 3,207 5,215 3,219 4,220 5,227 2,230 6,231 1,239 2,244 2,245 1,253 2,258 4,266 1,270 692,271 15.301,272 15.301,273 15.301,274 15.301,275 15.301,276 13.737,277 20.232,278 8.887,279 15.855,280 12.277,281 12.277,282 12.277,283 12.277,284 12.277,285 9.645,286 22.332,287 4.096,288 13.197,289 3.095,290 0.955,291 0.424,292 0.303,293 0.242,294 0.242,295 3.862,300 1,301 1,302 1,303 426,304 3.162,306 114.841,307 58.561,310 94.379,313 1.251,314 38.436,316 1,317 1,318 1,319 1,320 0.4,322 0.83,323 1,324 0.75,325 52,326 201,327 4.531,328 4.909,329 6.66,330 4.12,331 3.178,332 4.259,333 4.507,334 10.627,335 3.028,336 4.35,337 3.81,338 6.502,339 3.997,340 3.062,341 3.689,342 2.612,343 10.17,344 2.839,345 3.999,346 3.684,347 6.019,348 3.567,349 2.623,350 3.498,351 1.392,352 8.53,353 2.463,354 3.607,355 3.31,356 5.458,357 3.101,358 2.164,359 2.88,360 1.22,361 6.714,362 2.025,363 3.287,364 3.289,365 4.942,366 2.777,367 1.818,368 2.46,369 0.587,370 5.368,371 1.72,372 2.996,373 2.468,374 4.636,375 2.491,376 1.644,377 2.024,378 0.532,379 4.562,380 1.36,381 2.904,382 2.137,383 4.293,384 2.383,385 1.433,386 2.004,387 0.401,388 3.813,389 1.345,390 2.687,391 2.024,392 3.536,393 2.145,394 1.153,395 1.543,397 2.492,398 1.138,399 2.201,400 1.753,401 3.433,402 2.045,403 1.064,404 1.177,406 2.148,407 1.033,408 1.92,409 1.674,410 3.301,411 1.532,412 0.593,413 0.727,415 1.528,416 0.55,417 1.775,418 1.188,419 2.904,420 1.178,421 0.2,422 0.29,424 0.398,425 0.192,426 1.183,427 1.132,428 2.604,429 0.723,430 -0.185,431 -0.232,433 -0.466,434 -0.16,435 1,436 1,437 2.338,438 0.281,439 -0.689,440 -0.902,442 -1.419,443 -0.622,444 0.724,445 0.337,446 2.253,447 0.227,448 -0.719,449 -0.965,451 -1.822,452 -0.671,453 0.665,454 -0.176,455 1.939,456 0.105,457 -0.818,458 -1.167,460 -2,461 -0.775,462 11.133,463 0.484,464 0.665,465 0.029,466 30.25,467 1.315,468 15,469 0.652,470 15.25,471 0.663,472 16.853,473 0.733,474 24.267,475 0.735,476 23.048,477 1.002,478 6.11,479 0.266,480 4.898,481 0.213,482 0.21,484 0.386,490 0.607,491 1.034,492 0.565,493 0.763,494 0.554,495 0.78,496 0.818,497 0.914,498 0.589,499 0.673,500 0.51,501 0.703,502 0.822,503 1.079,504 0.802,505 0.964,506 0.729,507 0.965,508 1.117,509 0.977,510 1.193,511 1.071,512 1.133,513 1.044,514 0.986,515 1.078,516 1.206,517 1.113,518 1.203,519 1.006,520 1.073,521 1.175,522 1.408,523 1.428,524 1.377,525 1.096,526 0.974,527 0.947,528 0.935,529 0.937,530 1.356,531 0.91,532 0.712,533 1.269,534 1.168,535 1.485,536 0.688,537 1.193,538 5,539 0.032,540 3.111,541 2.458,542 1.409,543 0.928,544 0.649,545 0.446,546 0.233,547 0.115,548 5045,549 21142,550 2.016,551 30.3,553 8,554 2,560 1.662,561 1.84,562 3.099,563 -0.601,565 1,567 1,569 64.333,570 1.949,571 4.09,572 4.62,573 4.741,574 4.802,575 4.802,576 2.509,577 4.35,578 4.496,579 3.233,580 818.069,581 7.767,582 9118.14,583 1,584 1,585 1,586 1,587 166.465,588 1.538,589 4.428,590 0.2,591 0.005,592 0.086,593 0.068,594 0.043,595 0.03,596 0.022,597 0.018,598 0.012,599 0.01,600 0.496,601 0.33,602 1,603 1.178,604 105.959,605 0.076,606 -0.034,607 0.032,608 0.01,609 -0.036,610 -0.021,611 0.071,612 0.084,613 0.196,614 0.203,615 0.127,616 0.138,617 -0.075,618 -0.127,619 0.031,620 -0.063,621 -0.023,622 -0.035,623 -0.199,624 0.015,625 -0.162,626 -0.051,627 -0.12,628 -0.059,629 0.016,630 -0.098,631 -0.099,632 -0.029,633 -0.07,634 -0.017,635 0.03,636 -0.101,637 -0.205,638 -0.268,639 -0.135,640 -0.187,641 0.261,642 0.051,643 0.034,644 0.037,645 0.141,646 -0.033,647 0.207,648 -0.259,649 0.003,650 -0.375,651 0.192,652 -0.176,653 2.529,654 5.301,655 0.609,656 16.707,657 1.046,658 1.107,659 2.061,660 4.249,661 0.746,662 3.258,663 3.611,664 3.912,665 4.19,666 4.331,667 4.431,668 4.564,669 4.644,670 4.605,671 4.605,672 5.265,673 0.73,674 350.4,675 3.258,676 4.812,677 5.68,678 6.578,679 7.467,680 8.368,681 9.264,682 10.167,683 11.064,684 11.967,685 6.1,692 1,696 1,699 2,704 4,706 6,715 1,718 2,720 33,723 12,724 1,725 25,727 35,728 14,729 6,730 4,731 2,732 3,735 3,736 4,749 12,750 2,754 6,755 1,756 1,759 3,760 1,761 2,763 3,764 1,765 1,768 10,769 6,771 9,772 2,775 2,777 1,780 0.667,781 5,788 2,789 1,792 1,804 1,805 3,810 1,813 2,815 2,821 23,828 2,830 2,831 1,834 1,840 15.2,843 1,845 2,846 2,847 12.5,848 6.15,849 5.083,850 1.754,851 2.231,852 1.32,853 0.958,854 4.499,855 9.208,856 3.555,857 4.119,858 4.637,859 5.175,860 5.685,861 6.029,862 6.394,863 6.633,864 6.821,865 7.007,866 0.833,867 36,868 8.495,870 3.729,871 8.246,872 15.339,874 12.369,877 2.746,878 63.167,882 117.711,883 162.524,884 8.794,886 97.892,888 77.412,889 85.112,890 215.603,891 8.794,892 5.67,893 27.647,894 37.905,895 31.4,896 38.429,897 23.542,898 126.388,899 95.939,900 117.711,901 93.907,902 97.892,903 77.412,905 117.711,906 47.145,907 50.747,909 11.88,910 55.853,911 26.173,912 77.412,913 117.711,914 106.686,915 162.524,918 117.711,919 63.66,920 46.699,922 158.851,923 117.711,924 106.686,925 162.524,927 0.586,928 0.354,929 0.197,930 0.102,931 18,932 9,933 0.114,934 4,935 1,936 1.143,937 3.395,938 187.141,939 0.143,940 14,941 102.042,942 1,943 1,945 16.142,946 6.411,947 3.029,949 101.016,950 2.777,955 0.818,958 386.921,959 34,960 3.577,961 -0.529,964 34.794,965 5.141,966 3.013,968 0.412,969 34.527,970 36.544,971 0.386,972 0.811,973 0.916,974 0.94,975 0.952,976 0.952,977 4.816,978 1.153,979 5.694,980 3.813,981 4.29,982 4.804,983 4.071,984 6.553,985 4.16,986 6.036,987 1.064,988 7.29,989 2.492,990 4.007,991 4.796,992 3.428,993 7.535,994 3.809,995 7.364,996 0.593,997 8.985,998 2.148,999 5.932,1000 6.977,1001 6.661,1002 10.648,1003 5.683,1004 8.728,1005 0.2,1006 10.735,1007 1.528,1008 6.463,1009 7.757,1010 6.607,1011 12.43,1012 6.145,1013 10.122,1014 -0.185,1015 12.52,1016 0.398,1017 7.886,1018 9.463,1019 9.531,1020 15.051,1021 7.524,1022 11.537,1023 -0.689,1024 14.327,1025 -0.466,1026 8.766,1027 10.581,1028 9.786,1029 17.155,1030 8.336,1031 12.969,1032 -0.719,1033 16.15,1034 -1.419,1035 10.005,1036 12.117,1037 12.461,1038 19.602,1039 9.53,1040 3.178,1041 -0.818,1042 17.985,1043 -1.822,1044 11.033,1045 13.389,1046 12.944,1047 21.842,1048 10.493,1049 3.062,1050 10.627,1051 19.828,1052 -2,1053 12.204,1054 14.86,1055 15.411,1056 24.224,1057 11.617,1058 2.623,1059 10.17,1060 21.679,1061 4.259,1062 13.295,1063 16.208,1064 16.074,1065 26.522,1066 12.647,1067 2.164,1068 8.53,1069 23.535,1070 3.689,1071 14.443,1072 17.653,1073 18.372,1074 28.879,1075 13.746,1076 1.818,1077 6.714,1078 25.396,1079 3.498,1080 15.561,1081 19.041,1082 19.178,1083 31.204,1084 14.806,1085 1.644,1086 5.368,1087 27.26,1088 2.88,1089 16.702,1090 20.478,1091 21.34,1092 33.553,1093 15.896,1094 1.433,1095 4.562,1096 29.127,1097 2.46,1098 17.831,1099 21.889,1100 22.262,1101 35.89,1102 16.971,1103 5028,1104 10422,1105 16.126,1106 24.625,1107 38.593,1108 43.102,1109 40.006,1110 37.994,1111 37.863,1112 49.103,1113 22.501,1114 112.697,1115 35.386,1116 5.413,1117 6.909,1118 6.419,1119 5.241,1120 5.178,1121 7.259,1122 8.641,1123 17.654,1124 5.028,1125 13.2,1126 1.544,1127 1.724,1128 1.6,1129 1.52,1130 1.515,1131 1.964,1132 0.9,1133 4.508,1134 1.415,1135 4.043,1136 4.053,1137 4.217,1138 3.937,1139 7.815,1140 3.939,1141 3.793,1142 3.815,1143 3.981,1144 3.721,1145 7.428,1146 3.676,1147 3.579,1148 3.584,1149 3.56,1150 3.391,1151 6.999,1152 3.365,1153 3.478,1154 3.517,1155 3.427,1156 3.172,1157 4.994,1158 3.235,1159 3.187,1160 3.216,1161 3.405,1162 3.043,1163 4.789,1164 3.012,1165 2.93,1166 2.978,1167 3.031,1168 2.771,1169 4.661,1170 2.762,1171 2.783,1172 2.801,1173 2.882,1174 2.621,1175 4.346,1176 2.626,1177 2.71,1178 2.717,1179 2.687,1180 2.539,1181 3.979,1182 2.526,1183 0.181,1184 0.196,1185 0.266,1186 0.165,1187 0.127,1188 4.531,1189 0.17,1190 4.909,1191 0.18,1192 6.66,1193 0.425,1194 4.12,1195 0.121,1196 3.178,1197 4.259,1198 4.507,1199 10.627,1200 3.028,1201 1.917,1202 1.905,1203 1.969,1204 2.075,1205 1.123,1206 2.027,1207 1.635,1208 1.584,1209 1.834,1210 1.822,1211 0.928,1212 1.826,1213 1.413,1214 1.415,1215 1.476,1216 1.653,1217 0.613,1218 1.569,1219 1.191,1220 1.181,1221 1.429,1222 1.519,1223 0.574,1224 1.482,1225 1.183,1226 1.169,1227 1.256,1228 1.507,1229 0.228,1230 1.468,1231 1.116,1232 1.09,1233 1.192,1234 1.277,1235 0.149,1236 1.326,1237 0.763,1238 0.741,1239 0.955,1240 0.924,1242 0.948,1243 0.613,1244 0.532,1245 0.777,1246 0.826,1248 0.895,1249 3.932,1251 5.273,1252 3.045,1253 6.799,1254 5.416,1255 8.415,1256 7.496,1257 10.082,1265 0.308,1267 10.373,1268 1.097,1271 1.387,1273 24.098,1274 64.333,1275 134.955,1276 152.465,1277 156.465,1278 158.465,1279 158.465,1280 50.913,1281 6.977,1282 86.28,1283 146.61,1284 16,1285 12.488,1286 3.7,1287 3.322,1288 36.658,1289 72,1290 80,1291 0.254,1292 155.296,1293 284.63,1294 370.681,1295 8803,1297 16.56,1298 0.72,1299 0.579,1300 17.414,1301 13.316,1302 11.007,1303 0.44,1304 0.307,1305 6.41,1306 9.736,1307 6.203,1308 5.104,1309 11.704,1310 7.678,1311 10.111,1312 0.281,1313 0.174,1314 11.286,1315 6.278,1316 8.511,1317 0.174,1318 0.093,1319 9.659,1320 4.568,1321 7.243,1322 0.111,1323 0.053,1324 8.547,1325 3.414,1326 5.39,1327 0.072,1328 0.029,1329 6.535,1330 2.19,1331 0.387,1332 77.843,1333 0.249,1334 22.136,1335 0.733,1336 122,1337 493.689,1338 185.572,1339 501.724,1340 656.64,1341 462,1342 146,1343 443.546,1344 197.296,1345 462.718,1346 681.56,1347 430,1348 4.569}
{0 CHEMBL190743,1 1.728,2 8.591,3 4.191,4 17.567,5 95.774,6 13.102,7 0.64,8 3.603,9 3.667,10 3.711,11 3.432,12 4.778,13 3.343,14 4.103,15 4.193,16 4.216,17 3.877,18 5.285,19 3.757,20 4.317,21 4.432,22 4.248,23 3.955,24 5.647,25 3.795,26 4.297,27 4.449,28 4.11,29 3.838,30 5.474,31 3.664,32 4.135,33 4.267,34 4.292,35 3.661,36 5.468,37 3.515,38 3.996,39 4.157,40 4.023,41 3.507,42 5.232,43 3.374,44 3.798,45 3.934,46 3.637,47 3.442,48 5.025,49 3.283,50 3.706,51 3.828,52 4.074,53 3.4,54 5.035,55 3.191,56 0.021,57 0.33,58 2.268,59 1.945,60 4.524,61 2.495,62 0.105,63 0.615,64 5.411,65 3.857,66 8.889,67 4.416,68 0.246,69 0.841,70 34.367,71 8.55,72 41.779,73 7.388,74 0.178,75 0.84,76 24.659,77 7.734,78 30.481,79 7.171,80 0.198,81 0.704,82 15.707,83 7.111,84 37.664,85 5.597,86 0.178,87 0.639,88 16.878,89 6.39,90 28.71,91 5.423,92 0.096,93 0.499,94 29.854,95 6.034,96 14.74,97 4.864,98 0.078,99 0.399,100 20.082,101 4.654,102 16.228,103 3.774,105 10,106 37,107 0.315,108 0.615,109 0.751,110 0.888,111 0.899,112 0.899,113 3.148,114 1.039,115 -5.1,116 -5,117 -4.68,120 53.1,126 1,140 8,141 2,142 2,147 2,152 1,153 1,165 7,167 1,168 3,176 12,181 2,182 6,190 10,195 4,203 2,207 8,215 4,220 6,227 6,231 3,239 6,245 4,253 10,258 2,266 5,270 594,271 14.878,272 14.878,273 14.878,274 14.878,275 14.878,276 12.83,277 14.094,278 8.534,279 15.329,280 12.334,281 12.334,282 12.334,283 12.334,284 12.334,285 9.095,286 18.545,287 4.076,288 13.163,289 3.272,290 1.625,291 0.875,292 0.125,293 0.063,294 0.063,295 3.844,301 1,302 1,303 421,304 2.345,306 79.47,307 104.735,310 154.852,313 1.227,314 21.295,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 45.9,326 189,327 4.606,328 3.983,329 6.978,330 4.304,331 3.32,332 4.403,333 1.23,334 11.772,335 3.269,336 4.452,337 3.095,338 6.245,339 3.916,340 2.975,341 4.169,342 0.521,343 9.483,344 2.796,345 3.795,346 2.962,347 5.707,348 3.332,349 2.42,350 3.206,352 7.491,353 2.203,354 3.538,355 2.879,356 5.552,357 3.184,358 2.204,359 2.859,361 6.726,362 2.148,363 3.326,364 2.586,365 5.073,366 2.88,367 1.938,368 2.577,370 5.94,371 1.792,372 3.174,373 2.27,374 4.898,375 2.722,376 1.793,377 2.336,379 5.376,380 1.437,381 3.032,382 1.575,383 4.414,384 2.478,385 1.532,386 2.298,388 4.312,389 1.432,390 2.844,391 1.532,392 3.791,393 2.357,394 1.37,395 1.997,397 2.98,398 1.342,399 2.449,400 1.378,401 3.6,402 1.959,403 0.97,404 1.369,406 2.508,407 0.929,408 1.957,409 1.159,410 3.183,411 1.39,412 0.347,413 0.521,415 0.86,416 0.331,417 1.847,418 0.347,419 3,420 1.264,421 0.317,422 0.474,424 0.778,425 0.306,426 1.17,427 0.337,428 2.682,429 0.732,430 -0.13,431 -0.161,433 -0.322,434 -0.041,435 0.779,436 0.008,437 2.466,438 0.315,439 -0.613,440 -0.789,442 -1.604,443 -0.422,444 0.691,445 -0.174,446 2.331,447 0.194,448 -0.783,449 -1.095,451 -2.182,452 -0.711,453 0.5,454 -0.752,455 2,456 0.055,457 -0.919,458 -1.296,460 -2.432,461 -0.857,462 12.043,463 0.547,464 0.627,465 0.028,466 31.25,467 1.42,468 17.5,469 0.795,470 13.75,471 0.625,472 17.289,473 0.786,474 20.357,475 0.636,476 18.855,477 0.857,478 5.722,479 0.26,480 4.909,481 0.223,482 0.192,484 0.365,490 0.539,491 0.879,492 0.456,493 0.521,494 0.488,495 0.635,496 0.61,497 0.874,498 0.552,499 0.59,500 0.557,501 0.717,502 0.68,503 1.196,504 0.965,505 1.088,506 0.672,507 1.111,508 1.152,509 1.083,510 0.736,511 0.85,512 1.061,513 1.059,514 1.541,515 1.119,516 0.788,517 0.966,518 1.634,519 0.97,520 1.244,521 0.885,522 0.61,523 0.761,524 1.241,525 0.782,526 0.988,527 0.863,528 1.194,529 1.165,530 0.931,531 1.005,532 1.132,533 0.912,534 0.665,535 0.656,536 1.191,537 0.965,538 4.5,539 0.038,540 2.667,541 2.59,542 1.116,543 0.824,544 0.34,545 0.397,546 0.146,547 0.11,548 5003,549 16614,550 2.148,551 31.3,553 10,560 1.646,561 2,562 3.093,563 -0.762,565 1,568 1,569 55.294,570 1.728,571 3.375,572 4.125,573 4.875,574 4.938,575 4.938,576 2.487,577 3.754,578 4.434,579 3.208,580 741.139,581 7.621,582 7879.79,584 1,586 1,587 160,588 1.437,589 4.388,590 0.18,591 0.009,592 0.072,593 0.072,594 0.038,595 0.032,596 0.015,597 0.019,598 0.008,599 0.011,600 0.456,601 0.5,602 1,603 0.595,604 99.56,605 -0.012,606 -0.048,607 -0.001,608 0.006,609 -0.035,610 0.02,611 0.056,612 0.06,613 0.002,614 0.041,615 -0.007,616 0.014,617 0.234,618 -0.212,619 -0.091,620 -0.174,621 0.199,622 -0.2,623 -0.134,624 -0.074,625 -0.032,626 -0.033,627 -0.071,628 -0.102,629 -0.135,630 -0.12,631 0.038,632 -0.046,633 -0.142,634 -0.003,635 -0.066,636 0.152,637 0.057,638 0.058,639 -0.062,640 0.216,641 -0.089,642 0.094,643 -0.128,644 -0.129,645 -0.022,646 -0.01,647 -0.1,648 -0.072,649 0.138,650 0.168,651 -0.041,652 -0.058,653 2.102,654 5.272,655 0.818,656 14.818,657 1.01,658 1.082,659 3.874,660 15.004,661 0.845,662 3.258,663 3.638,664 3.97,665 4.29,666 4.511,667 4.564,668 4.718,669 4.868,670 4.82,671 4.898,672 5.127,673 0.768,674 419.25,675 3.258,676 4.828,677 5.714,678 6.624,679 7.528,680 8.442,681 9.352,682 10.269,683 11.182,684 12.099,685 3.1,692 1,698 2,699 8,703 1,704 4,706 16,708 1,719 1,720 32,723 18,724 2,725 25,727 35,728 17,729 14,730 5,731 7,732 2,735 4,736 6,749 16,750 1,754 2,759 2,763 2,765 1,768 10,769 3,771 5,772 2,773 1,775 1,780 0.5,781 2,788 2,789 2,792 2,801 1,813 2,815 1,820 1,821 22,828 1,834 1,837 1,839 1,840 6.3,843 2,847 11,848 6.01,849 4.667,850 1.888,851 3.279,852 1.446,853 1.074,854 3.439,855 10.63,856 3.584,857 4.245,858 4.891,859 5.498,860 6.012,861 6.252,862 6.642,863 7.041,864 7.081,865 7.466,866 0.833,867 36,868 8.177,870 3.653,871 7.808,872 15.559,874 13.349,877 2.308,878 50.787,882 117.711,883 188.093,884 3.124,886 50.29,888 88.06,889 100.033,890 168.001,891 3.124,893 5.23,894 75.81,895 60.128,896 10.175,897 2.104,898 205.771,900 117.711,901 103.157,902 50.29,903 31.278,904 56.782,905 117.711,906 50.29,909 5.23,910 97.927,912 88.06,913 117.711,914 53.414,915 131.311,916 56.782,918 117.711,919 55.501,920 135.716,922 50.29,923 117.711,924 53.414,925 131.311,926 56.782,927 0.597,928 0.361,929 0.202,930 0.112,931 21,932 9,933 0.057,934 2,935 2,936 1.222,937 3.425,938 184.878,939 0.222,940 18,941 98.107,942 1,945 14.182,946 5.335,947 2.37,948 2.363,949 53.414,950 15.768,954 1.659,955 3.265,958 359.218,959 35,964 24.402,968 -0.843,969 32.32,970 34.634,971 0.346,972 0.675,973 0.825,974 0.975,975 0.988,976 0.988,977 4.836,978 1.37,979 5.727,980 4.312,981 4.317,982 4.931,983 1.487,984 6.597,985 4.211,986 6.075,987 0.97,988 7.323,989 2.98,990 4.007,991 4.832,992 0.325,993 7.576,994 3.817,995 7.407,996 0.347,997 9.018,998 2.508,999 5.969,1000 7.199,1001 1.615,1002 10.73,1003 5.795,1004 8.776,1005 0.317,1006 10.77,1007 0.86,1008 6.479,1009 7.921,1010 0.74,1011 12.564,1012 6.262,1013 10.177,1014 -0.13,1015 12.559,1016 0.778,1017 7.937,1018 9.769,1019 1.853,1020 15.244,1021 7.72,1022 11.601,1023 -0.613,1024 14.375,1025 -0.322,1026 8.823,1027 10.882,1028 1.168,1029 17.445,1030 8.584,1031 13.045,1032 -0.783,1033 16.211,1034 -1.604,1035 10.096,1036 12.516,1037 2.14,1038 19.969,1039 9.849,1040 3.32,1041 -0.919,1042 18.063,1043 -2.182,1044 11.151,1045 13.816,1046 1.605,1047 22.322,1048 10.889,1049 2.975,1050 11.772,1051 19.928,1052 -2.432,1053 12.357,1054 15.356,1055 2.456,1056 24.796,1057 12.086,1058 2.42,1059 9.483,1060 21.805,1061 4.403,1062 13.484,1063 16.743,1064 2.049,1065 27.211,1066 13.201,1067 2.204,1068 7.491,1069 23.691,1070 4.169,1071 14.671,1072 18.242,1073 2.793,1074 29.672,1075 14.377,1076 1.938,1077 6.726,1078 25.585,1079 3.206,1080 15.829,1081 19.671,1082 2.494,1083 32.113,1084 15.525,1085 1.793,1086 5.94,1087 27.486,1088 2.859,1089 17.011,1090 21.152,1091 3.145,1092 34.572,1093 16.697,1094 1.532,1095 5.376,1096 29.392,1097 2.577,1098 18.185,1099 22.6,1100 2.938,1101 37.024,1102 17.86,1103 4707,1104 8701,1105 16.819,1106 27.029,1107 39.241,1108 40.558,1109 39.762,1110 38.805,1111 38.374,1112 52.414,1113 3.503,1114 116.451,1115 35.971,1116 5.511,1117 5.983,1118 6.661,1119 5.424,1120 5.32,1121 7.403,1122 2.335,1123 19.005,1124 5.269,1125 9.761,1126 1.57,1127 1.622,1128 1.59,1129 1.552,1130 1.535,1131 2.097,1132 0.14,1133 4.658,1134 1.439,1135 4.095,1136 4.105,1137 10.695,1138 4.118,1139 7.497,1140 4.06,1141 3.982,1142 3.994,1143 4.331,1144 4.038,1145 7.352,1146 3.928,1147 3.507,1148 3.539,1149 3.942,1150 3.58,1151 4.87,1152 3.41,1153 3.363,1154 3.371,1155 3.48,1156 3.365,1157 4.678,1158 3.268,1159 3.006,1160 3.053,1161 3.321,1162 3.027,1163 4.21,1164 2.864,1165 2.899,1166 2.947,1167 2.981,1168 2.852,1169 3.823,1170 2.803,1171 2.76,1172 2.824,1173 2.867,1174 2.807,1175 3.696,1176 2.657,1177 2.608,1178 2.597,1179 2.594,1180 2.544,1181 3.615,1182 2.497,1183 0.184,1184 0.159,1185 0.279,1186 0.172,1187 0.133,1188 4.606,1189 0.176,1190 3.983,1191 0.049,1192 6.978,1193 0.471,1194 4.304,1195 0.131,1196 3.32,1197 4.403,1198 1.23,1199 11.772,1200 3.269,1201 1.919,1202 1.902,1203 2.009,1204 1.973,1205 1.139,1206 1.992,1207 1.881,1208 1.865,1209 1.924,1210 1.932,1211 1.121,1212 1.948,1213 1.597,1214 1.58,1215 1.674,1216 1.75,1217 0.96,1218 1.739,1219 1.307,1220 1.314,1221 1.362,1222 1.466,1223 0.419,1224 1.452,1225 1.012,1226 0.974,1227 1.215,1228 1.166,1229 0.29,1230 1.187,1231 0.946,1232 0.929,1233 1.091,1234 1.017,1235 0.256,1236 1.076,1237 0.798,1238 0.752,1239 0.979,1240 0.951,1241 0.114,1242 0.979,1243 0.74,1244 0.692,1245 0.854,1246 0.885,1247 0.009,1248 0.924,1249 3.932,1251 5.293,1252 3.045,1253 6.845,1254 5.533,1255 8.481,1256 7.719,1257 10.163,1262 2.15,1265 0.442,1271 1.582,1273 24.589,1274 55.294,1275 108,1276 132,1277 156,1278 158,1279 158,1280 34.585,1281 7.352,1282 39.07,1283 67.31,1284 22,1285 12.61,1286 4.248,1287 3.459,1288 29.878,1289 67,1290 62,1291 0.222,1292 161.423,1293 269.13,1294 385.631,1295 14676,1296 3.1,1297 15.267,1298 0.694,1299 0.652,1300 17.121,1301 14.35,1302 10.631,1303 0.425,1304 0.346,1305 6.85,1306 9.235,1307 6.563,1308 5.365,1309 11.905,1310 8.66,1311 10.006,1312 0.27,1313 0.204,1314 11.899,1315 7.546,1316 8.891,1317 0.171,1318 0.106,1319 10.431,1320 5.496,1321 7.579,1322 0.105,1323 0.059,1324 9.085,1325 4.245,1326 6.304,1327 0.07,1328 0.034,1329 7.963,1330 3.081,1331 0.338,1332 83.129,1333 0.244,1334 21.327,1335 0.636,1336 124,1337 361.625,1338 305.598,1339 415.081,1340 556.54,1341 386,1342 151,1343 362.846,1344 229.137,1345 400.374,1346 594.5,1347 378,1348 6}
{0 CHEMBL1907778,1 1.657,2 12.176,3 2.563,4 6.567,5 139.167,6 7.052,7 0.167,8 4.351,9 4.483,10 4.001,11 3.89,12 5.278,13 3.803,14 4.977,15 5.173,16 4.292,17 4.328,18 6.033,19 4.208,20 5.302,21 5.529,22 4.453,23 4.543,24 6.234,25 4.385,26 5.472,27 5.736,28 4.562,29 4.553,30 6.453,31 4.386,32 5.36,33 5.593,34 4.501,35 4.47,36 6.549,37 4.329,38 5.302,39 5.541,40 4.409,41 4.449,42 6.333,43 4.287,44 5.268,45 5.474,46 4.425,47 4.452,48 6.395,49 4.309,50 5.327,51 5.542,52 4.351,53 4.446,54 6.514,55 4.311,56 0.102,57 1.157,58 21.296,59 7.752,60 20.322,61 10.184,62 0.49,63 1.873,64 39.949,65 13.864,66 75.789,67 18.075,68 0.447,69 2.36,70 56.044,71 18.53,72 71.602,73 24.621,74 0.905,75 2.479,76 75.02,77 20.337,78 120.548,79 26.648,80 1.02,81 2.314,82 64.539,83 18.493,84 174.24,85 23.234,86 0.799,87 2.213,88 62.982,89 18.102,90 120.509,91 22.262,92 0.728,93 2.107,94 64.184,95 18.4,96 118.028,97 22.038,98 1.083,99 2.138,100 59.052,101 16.862,102 195.067,103 21.866,105 61,106 51,107 0.261,108 0.545,109 0.781,110 0.852,111 0.852,112 0.852,113 3.561,114 1.234,115 -3.56,116 -3.53,117 -3.37,120 32.9,121 2,122 5,123 1,124 1,126 7,128 1,140 3,141 1,142 2,153 1,158 1,159 1,160 1,165 10,167 2,168 2,171 2,173 3,176 11,179 1,182 3,185 2,187 7,190 5,195 9,198 2,199 1,200 4,203 4,205 1,206 4,207 7,212 5,215 3,220 7,225 2,227 5,231 14,234 2,235 1,236 4,238 1,239 3,245 6,247 2,248 2,253 8,258 4,260 2,261 2,263 3,266 9,270 2360,271 22.386,272 22.386,273 22.386,274 22.386,275 22.386,276 21.265,277 24.25,278 13.365,279 22.971,280 17.695,281 17.695,282 17.695,283 17.695,284 17.695,285 15.796,286 23.631,287 6.223,288 18.621,289 4.533,290 2.733,291 1.237,292 0.788,293 0.788,294 0.788,295 4.237,302 1,303 860,304 5.05,307 329.888,311 171.868,313 1.785,314 53.954,317 0.75,318 0.67,319 0.67,320 0.9,321 1,322 0.83,323 1,324 0.83,325 74.5,326 414,327 4.906,328 4.712,329 7.437,330 4.413,331 3.48,332 4.758,333 2.95,334 13.084,335 3.281,336 4.334,337 4.238,338 6.774,339 4.213,340 3.228,341 3.779,342 1.984,343 11.143,344 3.12,345 4.095,346 3.794,347 6.399,348 3.911,349 2.944,350 3.254,351 0.596,352 9.705,353 2.838,354 3.931,355 3.343,356 6.13,357 3.599,358 2.616,359 3.102,360 0.4,361 8.859,362 2.569,363 3.509,364 2.74,365 5.41,366 3.462,367 2.47,368 2.516,369 0.076,370 7.063,371 2.447,372 3.076,373 2.66,374 5.157,375 2.946,376 2.028,377 2.213,379 6.073,380 1.857,381 2.987,382 2.504,383 4.867,384 2.649,385 1.717,386 2.084,388 5.023,389 1.611,390 2.914,391 2.206,392 4.218,393 2.605,394 1.639,395 2.018,397 3.607,398 1.558,399 2.715,400 1.961,401 3.837,402 2.467,403 1.479,404 1.711,406 3.41,407 1.46,408 2.349,409 1.861,410 3.637,411 2.124,412 1.194,413 1.268,415 2.44,416 1.085,417 2.056,418 1.781,419 3.58,420 1.984,421 1.036,422 1.046,424 2.275,425 0.983,426 2.012,427 1.506,428 3.414,429 1.909,430 1,431 1,433 2.073,434 0.879,435 2,436 1.395,437 3.242,438 1.799,439 0.848,440 0.957,442 1.822,443 0.801,444 1.917,445 1.08,446 3.129,447 1.639,448 0.682,449 0.786,451 1.426,452 0.637,453 1.184,454 1.077,455 2.898,456 1.035,457 0.139,458 0.143,460 0.247,461 0.122,462 16.552,463 0.487,464 1.007,465 0.03,466 31.75,467 0.934,468 11,469 0.324,470 20.75,471 0.61,472 44.82,473 1.318,474 41.048,475 0.562,476 25.729,477 0.757,478 4.819,479 0.142,480 11.345,481 0.334,482 0.162,483 0.081,484 0.205,485 1,490 0.59,491 1.32,492 0.881,493 1.238,494 0.625,495 1.129,496 0.698,497 1.109,498 1.051,499 1.113,500 0.599,501 1.071,502 0.767,503 1.141,504 1.024,505 1.181,506 0.734,507 1.156,508 0.976,509 0.911,510 0.948,511 0.983,512 1.015,513 0.893,514 1.274,515 1.059,516 1.115,517 1.069,518 1.328,519 0.976,520 1.397,521 0.928,522 1.307,523 1.071,524 1.409,525 0.952,526 1.341,527 1.029,528 1.543,529 1.378,530 1.434,531 1.082,532 1.587,533 0.887,534 1.217,535 0.98,536 1.725,537 1.052,538 8.5,539 0.28,540 4.667,541 3.063,542 2.498,543 1.465,544 1.239,545 0.606,546 0.501,547 0.341,548 14896,549 37494,550 1.963,551 53.4,552 9,553 18,556 4,558 6,559 2,560 1.767,561 1.805,562 3.533,563 1.575,569 120.933,570 1.657,571 3.457,572 4.953,573 5.402,574 5.402,575 5.402,576 3.033,577 4.595,578 5.053,579 3.735,580 2095.22,581 8.904,582 31999.3,587 451.857,588 1.665,589 4.985,590 0.236,591 0.007,592 0.092,593 0.057,594 0.046,595 0.028,596 0.025,597 0.011,598 0.01,599 0.008,600 0.52,601 0.17,602 0.88,603 1.549,604 181.215,605 0.033,606 -0.056,607 0.162,608 0.012,609 -0.085,610 0.044,611 0.113,612 0.039,613 -0.02,614 0.013,615 0.124,616 0.008,617 0.005,618 -0.116,619 -0.018,620 -0.104,621 -0.011,622 -0.106,623 0.022,624 -0.007,625 0.141,626 0.044,627 -0.019,628 0.083,629 0.031,630 -0.028,631 0.027,633 0.044,634 0.006,635 -0.158,636 0.114,637 -0.059,638 0.07,639 -0.142,640 0.042,641 -0.119,642 -0.053,643 -0.168,644 -0.114,645 -0.077,646 -0.046,647 -0.185,648 0.039,649 -0.169,650 0.014,651 -0.141,652 -0.092,653 4.848,654 6.496,655 0.471,656 38.201,657 0.999,658 1.141,659 2.331,660 5.435,661 0.635,662 3.611,663 3.951,664 4.159,665 4.407,666 4.644,667 4.71,668 4.844,669 4.82,670 4.905,671 4.868,672 7.302,673 0.582,674 514.81,675 3.611,676 5.165,677 5.999,678 6.893,679 7.754,680 8.656,681 9.531,682 10.436,683 11.32,684 12.227,685 5.5,686 1,687 1,690 1,692 1,699 3,704 3,706 6,714 1,720 73,723 9,724 1,725 36,727 75,728 24,729 6,730 3,731 3,734 1,735 3,736 4,741 4,742 1,744 1,745 3,746 1,748 6,749 7,750 17,751 1,754 3,757 1,759 3,763 1,766 1,768 39,769 8,770 4,771 10,772 2,775 4,780 0.667,781 3,789 3,793 1,801 1,807 1,813 2,814 1,815 2,817 2,819 1,821 34,822 1,824 1,828 12,829 2,831 1,833 2,834 1,835 1,839 1,840 4.1,843 3,847 18.833,848 12.926,849 7.569,850 4.495,851 1.264,852 1.168,853 0.936,854 9.968,855 8.768,856 3.761,857 4.27,858 4.642,859 5.09,860 5.542,861 5.687,862 6.016,863 6.029,864 6.228,865 6.154,866 1,867 54,868 13.13,870 5.941,871 7.892,872 24.801,874 21.197,877 2.392,878 81.333,882 411.989,883 127.669,884 70.437,886 69.458,887 14.96,888 38.027,889 89.642,890 481.446,891 85.397,892 17.65,893 67.386,894 50.641,895 92.173,896 7.493,897 14.96,898 444.208,900 411.989,901 160.079,902 84.418,903 38.027,905 332.78,906 163.627,909 101.442,910 40.626,911 23.818,912 32.22,913 426.949,914 139.895,915 127.669,917 5.807,918 411.989,919 75.782,920 49.203,921 34.416,922 117.315,923 411.989,924 154.855,925 127.669,927 0.578,928 0.324,929 0.17,930 0.098,931 22,932 11,933 0.133,934 10,935 1,936 1.125,937 4.261,938 311.877,939 0.125,940 16,941 164.974,942 1,944 1,945 27.573,946 12.292,947 7.494,949 154.855,950 5.312,955 1.782,957 67.313,958 694.512,959 42,962 -3.932,964 40.374,968 -0.207,969 72.959,970 83.275,971 0.268,972 0.558,973 0.8,974 0.873,975 0.873,976 0.873,977 5.047,978 1.639,979 6.043,980 5.023,981 4.635,982 4.956,983 3.256,984 6.923,985 4.546,986 6.252,987 1.479,988 7.656,989 3.607,990 4.511,991 5.121,992 1.668,993 8.26,994 4.4,995 7.603,996 1.194,997 9.39,998 3.41,999 6.368,1000 7.159,1001 5.154,1002 11.267,1003 6.2,1004 8.995,1005 1.036,1006 11.196,1007 2.44,1008 7.04,1009 8.17,1010 3.205,1011 13.366,1012 6.835,1013 10.429,1014 1,1015 13.048,1016 2.275,1017 8.449,1018 9.828,1019 7.237,1020 16.018,1021 8.192,1022 11.891,1023 0.848,1024 14.929,1025 2.073,1026 9.439,1027 11.163,1028 4.673,1029 18.385,1030 9.134,1031 13.375,1032 0.682,1033 16.831,1034 1.822,1035 10.704,1036 12.729,1037 9.37,1038 20.948,1039 10.347,1040 3.48,1041 0.139,1042 18.749,1043 1.426,1044 11.824,1045 14.19,1046 6.097,1047 23.42,1048 11.413,1049 3.228,1050 13.084,1051 20.68,1052 0.247,1053 13.046,1054 15.738,1055 11.521,1056 25.965,1057 12.581,1058 2.944,1059 11.143,1060 22.619,1061 4.758,1062 14.22,1063 17.25,1064 7.497,1065 28.482,1066 13.698,1067 2.616,1068 9.705,1069 24.567,1070 3.779,1071 15.433,1072 18.798,1073 13.679,1074 31.028,1075 14.855,1076 2.47,1077 8.859,1078 26.522,1079 3.254,1080 16.633,1081 20.334,1082 8.884,1083 33.567,1084 15.996,1085 2.028,1086 7.063,1087 28.483,1088 3.102,1089 17.847,1090 21.884,1091 15.84,1092 36.119,1093 17.153,1094 1.717,1095 6.073,1096 30.449,1097 2.516,1098 19.059,1099 23.431,1100 10.263,1101 38.67,1102 18.306,1103 14861,1104 23746,1105 22.94,1106 46.324,1107 52.97,1108 59.617,1109 55.353,1110 52.928,1111 52.999,1112 61.266,1113 12.012,1114 156.497,1115 50.496,1116 5.906,1117 6.712,1118 7.373,1119 5.51,1120 5.48,1121 7.758,1122 5.9,1123 21.1,1124 5.281,1125 20.62,1126 1.471,1127 1.656,1128 1.538,1129 1.47,1130 1.472,1131 1.702,1132 0.334,1133 4.347,1134 1.403,1135 4.122,1136 4.121,1137 4.739,1138 4.094,1139 8.195,1140 4.026,1141 3.906,1142 3.961,1143 3.91,1144 3.771,1145 7.717,1146 3.764,1147 3.822,1148 3.838,1149 3.862,1150 3.734,1151 7.426,1152 3.677,1153 3.667,1154 3.726,1155 3.757,1156 3.597,1157 6.999,1158 3.536,1159 3.585,1160 3.646,1161 3.472,1162 3.455,1163 5.007,1164 3.428,1165 3.492,1166 3.528,1167 3.44,1168 3.339,1169 4.728,1170 3.316,1171 3.355,1172 3.398,1173 3.274,1174 3.179,1175 4.294,1176 3.156,1177 3.111,1178 3.206,1179 3.115,1180 2.941,1181 4.271,1182 2.91,1183 0.136,1184 0.131,1185 0.207,1186 0.123,1187 0.097,1188 4.906,1189 0.132,1190 4.712,1191 0.082,1192 7.437,1193 0.363,1194 4.413,1195 0.091,1196 3.48,1197 4.758,1198 2.95,1199 13.084,1200 3.281,1201 2.023,1202 2.016,1203 2.107,1204 2.111,1205 1.467,1206 2.133,1207 1.874,1208 1.821,1209 2.075,1210 2.046,1211 1.41,1212 2.058,1213 1.742,1214 1.723,1215 1.88,1216 1.885,1217 1.229,1218 1.924,1219 1.657,1220 1.607,1221 1.854,1222 1.825,1223 1.127,1224 1.861,1225 1.561,1226 1.508,1227 1.746,1228 1.754,1229 1.025,1230 1.766,1231 1.398,1232 1.37,1233 1.64,1234 1.632,1235 0.935,1236 1.651,1237 1.293,1238 1.256,1239 1.513,1240 1.458,1241 0.825,1242 1.508,1243 1.153,1244 1.064,1245 1.417,1246 1.376,1247 0.639,1248 1.429,1249 4.29,1251 5.624,1253 7.154,1255 8.778,1257 10.456,1259 4.29,1261 12.699,1263 5.588,1265 6.678,1266 6.026,1268 1.532,1270 -0.573,1271 1.729,1272 0.037,1273 42.47,1274 120.933,1275 252.347,1276 361.593,1277 394.347,1278 394.347,1279 394.347,1280 126.349,1281 7.504,1282 104.53,1283 138.21,1284 18,1285 12.749,1286 3.322,1287 2.807,1288 66.928,1289 142,1290 184,1291 0.22,1292 269.723,1293 478.68,1294 649.884,1295 17796,1296 1.4,1297 24.769,1298 0.729,1299 0.646,1300 24.666,1301 21.949,1302 16.165,1303 0.449,1304 0.411,1305 12.248,1306 14.334,1307 11.661,1308 9.649,1309 16.986,1310 14.811,1311 15.099,1312 0.296,1313 0.254,1314 16.498,1315 12.954,1316 11.478,1317 0.182,1318 0.147,1319 12.971,1320 9.292,1321 9.394,1322 0.116,1323 0.089,1324 10.933,1325 7.184,1326 7.637,1327 0.074,1328 0.053,1329 9.214,1330 5.44,1331 0.343,1332 114.602,1333 0.209,1334 31.265,1335 0.614,1336 174,1337 518.662,1338 245.56,1339 508.928,1340 662.29,1341 470,1342 201,1343 409.426,1344 279.304,1345 457.552,1346 669.61,1347 426,1348 4.923}
{0 CHEMBL2115235,1 1.51,2 13.74,3 3.529,4 12.45,5 187.261,6 6.831,7 0.296,8 4.687,9 4.812,10 4.162,11 4.17,12 5.715,13 4.142,14 5.285,15 5.468,16 4.515,17 4.591,18 6.284,19 4.528,20 5.623,21 5.852,22 4.587,23 4.769,24 6.621,25 4.669,26 5.692,27 5.93,28 4.623,29 4.787,30 6.716,31 4.691,32 5.719,33 5.943,34 4.751,35 4.807,36 6.932,37 4.736,38 5.779,39 6.001,40 4.83,41 4.883,42 6.911,43 4.818,44 5.893,45 6.119,46 4.891,47 4.953,48 7.011,49 4.896,50 5.916,51 6.132,52 4.943,53 5.023,54 7.091,55 4.959,56 0.057,57 1.435,58 23.183,59 9.631,60 17.833,61 13.207,62 0.568,63 2.325,64 44.656,65 16.317,66 67.891,67 23.125,68 1.13,69 2.901,70 65.327,71 21.594,72 142.894,73 31.236,74 0.949,75 3.012,76 70.362,77 22.615,78 144.985,79 32.835,80 1.544,81 3.078,82 73.148,83 22.624,84 260.619,85 32.561,86 1.229,87 3.338,88 76.937,89 23.674,90 199.488,91 34.491,92 1.438,93 3.632,94 87.491,95 25.059,96 213.812,97 36.625,98 1.794,99 3.805,100 89.079,101 26.774,102 274.795,103 38.596,105 54,106 73,107 0.22,108 0.543,109 0.769,110 0.844,111 0.866,112 0.872,113 3.935,114 0.998,115 -3.17,116 -3.16,117 -3.04,120 37.6,121 2,122 9,123 2,126 4,128 4,140 7,141 3,144 1,146 1,153 4,155 1,165 21,167 2,168 6,171 3,173 3,176 27,181 1,182 5,185 3,186 2,187 6,190 23,195 9,198 3,200 4,203 16,206 5,207 9,210 5,211 1,212 10,215 12,219 3,220 17,223 1,224 2,225 12,227 8,231 25,234 3,236 8,239 8,244 3,245 18,248 5,250 9,253 12,257 6,258 15,262 1,263 10,266 15,270 6446,271 33.62,272 33.62,273 33.62,274 33.62,275 33.62,276 31.191,277 30.807,278 20.27,279 34.22,280 26.683,281 26.683,282 26.683,283 26.683,284 26.683,285 22.892,286 31.53,287 9.688,288 27.552,289 5.148,290 2.925,291 1.373,292 0.857,293 0.708,294 0.668,295 4.631,303 1464,304 6.083,306 179.991,307 764.174,311 285.141,313 1.902,314 76.395,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 109.5,326 687,327 4.499,328 3.877,329 6.523,330 4.068,331 3.069,332 4.431,333 2.504,334 10.274,335 3.066,336 4.142,337 3.823,338 6.378,339 3.977,340 3.004,341 3.507,342 1.97,343 9.646,344 2.919,345 4.054,346 3.725,347 6.187,348 3.874,349 2.889,350 3.266,351 1.94,352 9.146,353 2.837,354 3.983,355 3.596,356 6.045,357 3.757,358 2.786,359 3.206,360 1.891,361 8.674,362 2.706,363 3.841,364 3.1,365 5.857,366 3.563,367 2.584,368 3.06,369 0.86,370 8.032,371 2.517,372 3.731,373 2.797,374 5.432,375 3.496,376 2.511,377 2.953,378 0.555,379 7.134,380 2.471,381 3.546,382 2.722,383 5.306,384 3.371,385 2.406,386 2.804,387 0.513,388 6.801,389 2.31,390 3.465,391 2.568,392 5.179,393 3.123,394 2.184,395 2.561,396 0.313,397 6.153,398 2.062,399 3.203,400 2.472,401 5.035,402 3.047,403 2.046,404 2.427,405 0.062,406 5.877,407 2.016,408 3.118,409 2.333,410 4.507,411 2.765,412 1.805,413 2.209,415 4.569,416 1.722,417 2.959,418 2.321,419 4.389,420 2.707,421 1.732,422 1.959,424 4.25,425 1.672,426 2.883,427 2.012,428 4.19,429 2.618,430 1.618,431 1.903,433 3.823,434 1.618,435 2.772,436 1.94,437 4.071,438 2.441,439 1.457,440 1.881,442 3.5,443 1.429,444 2.698,445 1.798,446 3.793,447 2.324,448 1.334,449 1.715,451 3.049,452 1.31,453 2.56,454 1.618,455 3.606,456 2.268,457 1.274,458 1.537,460 2.915,461 1.264,462 23.333,463 0.467,464 1.171,465 0.023,466 52,467 1.04,468 20,469 0.4,470 32,471 0.64,472 66.601,473 1.332,474 57.667,475 0.571,476 52.441,477 1.049,478 9.678,479 0.194,480 14.495,481 0.29,482 0.114,484 0.317,490 0.769,491 1.432,492 0.875,493 1.244,494 0.61,495 1.097,496 0.784,497 1.221,498 0.974,499 1.165,500 0.587,501 1.109,502 0.976,503 0.986,504 1.036,505 1.004,506 0.895,507 1.025,508 1.108,509 1.033,510 1.003,511 1.018,512 1.336,513 0.996,514 1.113,515 0.987,516 0.963,517 0.958,518 1.364,519 0.941,520 1.159,521 1.103,522 0.974,523 1.024,524 1.268,525 0.972,526 1.496,527 0.997,528 1.062,529 0.911,530 1.67,531 0.905,532 1.352,533 0.972,534 1.079,535 0.92,536 1.479,537 0.945,538 9.5,539 0.526,540 5.111,541 3.16,542 2.613,543 1.868,544 1.445,545 1.194,546 1.025,547 0.722,548 43561,549 105451,550 2.05,551 50.5,552 13,553 19,554 1,555 1,556 4,557 5,558 8,560 1.863,561 1.923,562 3.716,563 1.298,569 152.503,570 1.51,571 3.734,572 5.285,573 5.801,574 5.95,575 5.99,576 3.058,577 5.109,578 5.618,579 3.94,580 4826.06,581 10.061,582 98070.4,587 672.479,588 1.387,589 5.576,590 0.176,591 0.005,592 0.07,593 0.042,594 0.034,595 0.021,596 0.015,597 0.012,598 0.01,599 0.007,600 0.392,601 0.17,602 0.5,603 0.961,604 297.383,605 -0.046,606 -0.118,607 0.041,608 -0.03,609 -0.028,610 0.014,611 0.076,612 -0.047,613 -0.02,614 -0.064,615 0.047,616 -0.062,617 0.021,618 0.055,619 -0.049,620 0.01,621 0.006,622 -0.026,623 -0.062,624 -0.028,625 -0.006,626 -0.022,627 -0.089,628 -0.007,629 0.119,630 0.022,631 0.062,632 0.026,633 0.119,634 0.029,635 0.014,636 -0.068,637 0.043,638 -0.034,639 0.018,640 0.003,641 -0.158,642 0.019,643 -0.016,644 0.042,645 -0.15,646 0.04,647 -0.052,648 0.064,649 -0.044,650 0.059,651 -0.019,652 0.016,653 2.907,654 7.273,655 0.54,656 61.197,657 1.001,658 1.134,659 1.936,660 3.747,661 0.631,662 4.007,663 4.304,664 4.533,665 4.754,666 4.934,667 4.963,668 5.094,669 5.226,670 5.333,671 5.361,672 8.893,673 0.596,674 689.94,675 4.007,676 5.541,677 6.372,678 7.231,679 8.078,680 8.941,681 9.796,682 10.662,683 11.521,684 12.388,685 5,692 3,693 1,695 1,698 2,699 9,700 1,701 1,704 2,706 16,720 101,723 20,724 2,725 54,727 105,728 38,729 13,730 3,731 7,735 5,736 6,741 2,745 5,746 1,748 13,749 17,750 21,751 2,754 4,759 4,763 4,768 51,769 11,770 4,771 12,774 1,775 5,780 0.8,781 7,783 1,788 1,789 4,793 1,800 2,801 1,803 1,811 1,812 1,813 4,817 2,821 50,827 1,828 13,829 2,830 2,833 6,834 1,840 6.9,841 1,843 4,844 1,845 1,847 26,848 17.85,849 11.111,850 6.489,851 2.268,852 1.28,853 0.925,854 14.124,855 10.368,856 4.205,857 4.68,858 5.123,859 5.584,860 5.973,861 6.163,862 6.495,863 6.814,864 7.117,865 6.974,866 0.889,867 75,868 18.971,870 8.341,871 7.827,872 35.957,874 30.075,877 2.327,878 116.333,882 553.242,883 170.251,884 72.717,886 165.263,889 170.251,890 718.505,891 72.717,892 17.65,893 75.353,894 118.064,895 170.06,896 38.874,897 11.771,898 529.7,900 553.242,901 242.968,902 165.263,905 459.073,906 205.748,907 53.683,909 121.164,910 105.018,911 16.786,913 553.242,914 237.98,915 170.251,918 553.242,919 68.6,920 104.774,921 52.807,922 182.048,923 553.242,924 237.98,925 170.251,927 0.574,928 0.328,929 0.175,930 0.093,931 30,932 15,933 0.152,934 16,935 1,936 1.074,937 5.462,938 545.175,939 0.074,940 27,941 270.193,945 37.792,946 18.686,947 11.021,948 2.017,949 221.194,950 16.953,951 4.288,952 2.891,955 1.467,957 95.49,958 961.472,959 66,964 54.766,968 -1.951,969 101.123,970 114.507,971 0.227,972 0.561,973 0.794,974 0.871,975 0.894,976 0.9,977 5.451,978 2.184,979 6.34,980 6.801,981 4.99,982 5.368,983 3.497,984 7.109,985 4.937,986 6.601,987 2.046,988 7.875,989 6.153,990 4.511,991 5.066,992 3.071,993 7.919,994 4.459,995 7.872,996 1.805,997 9.51,998 5.877,999 6.544,1000 7.384,1001 4.69,1002 11.01,1003 6.447,1004 9.172,1005 1.732,1006 11.206,1007 4.569,1008 6.889,1009 7.957,1010 4.962,1011 12.647,1012 6.794,1013 10.508,1014 1.618,1015 12.939,1016 4.25,1017 8.37,1018 9.762,1019 6.143,1020 15.236,1021 8.242,1022 11.866,1023 1.457,1024 14.699,1025 3.823,1026 9.096,1027 10.772,1028 6.723,1029 17.219,1030 8.966,1031 13.244,1032 1.334,1033 16.478,1034 3.5,1035 10.349,1036 12.378,1037 7.736,1038 19.624,1039 10.195,1040 3.069,1041 1.274,1042 18.27,1043 3.049,1044 11.259,1045 13.62,1046 8.473,1047 21.765,1048 11.101,1049 3.004,1050 10.274,1051 20.072,1052 2.915,1053 12.413,1054 15.147,1055 9.42,1056 24.098,1057 12.237,1058 2.889,1059 9.646,1060 21.883,1061 4.431,1062 13.415,1063 16.51,1064 10.239,1065 26.316,1066 13.232,1067 2.786,1068 9.146,1069 23.7,1070 3.507,1071 14.528,1072 18.008,1073 11.161,1074 28.623,1075 14.332,1076 2.584,1077 8.674,1078 25.522,1079 3.266,1080 15.574,1081 19.433,1082 12.025,1083 30.879,1084 15.371,1085 2.511,1086 8.032,1087 27.349,1088 3.206,1089 16.672,1090 20.921,1091 12.94,1092 33.178,1093 16.459,1094 2.406,1095 7.134,1096 29.179,1097 3.06,1098 17.741,1099 22.377,1100 13.828,1101 35.455,1102 17.521,1103 41536,1104 64860,1105 35.887,1106 63.722,1107 80.689,1108 83.305,1109 81.499,1110 79.493,1111 79.619,1112 95.379,1113 21.221,1114 220.242,1115 77.402,1116 5.499,1117 5.877,1118 6.325,1119 5.172,1120 5.069,1121 7.431,1122 4.26,1123 17.159,1124 5.066,1125 26.053,1126 1.494,1127 1.543,1128 1.509,1129 1.472,1130 1.474,1131 1.766,1132 0.393,1133 4.079,1134 1.433,1135 4.108,1136 4.133,1137 4.056,1138 4.065,1139 7.439,1140 4.059,1141 3.965,1142 4.016,1143 3.891,1144 3.824,1145 7.43,1146 3.823,1147 3.894,1148 3.953,1149 3.792,1150 3.74,1151 7.426,1152 3.75,1153 3.838,1154 3.886,1155 3.75,1156 3.651,1157 7.422,1158 3.667,1159 3.742,1160 3.787,1161 3.645,1162 3.539,1163 6.443,1164 3.558,1165 3.698,1166 3.738,1167 3.603,1168 3.507,1169 4.989,1170 3.519,1171 3.603,1172 3.659,1173 3.487,1174 3.419,1175 4.894,1176 3.421,1177 3.495,1178 3.548,1179 3.366,1180 3.367,1181 4.615,1182 3.36,1183 0.083,1184 0.072,1185 0.121,1186 0.075,1187 0.057,1188 4.499,1189 0.082,1190 3.877,1191 0.046,1192 6.523,1193 0.19,1194 4.068,1195 0.057,1196 3.069,1197 4.431,1198 2.504,1199 10.274,1200 3.066,1201 2.087,1202 2.068,1203 2.173,1204 2.141,1205 1.532,1206 2.153,1207 1.911,1208 1.861,1209 2.125,1210 2.056,1211 1.383,1212 2.079,1213 1.786,1214 1.745,1215 1.955,1216 1.996,1217 1.221,1218 1.984,1219 1.719,1220 1.672,1221 1.904,1222 1.938,1223 1.19,1224 1.927,1225 1.649,1226 1.607,1227 1.884,1228 1.873,1229 1.142,1230 1.871,1231 1.61,1232 1.563,1233 1.826,1234 1.794,1235 1.098,1236 1.807,1237 1.552,1238 1.489,1239 1.777,1240 1.747,1241 1.051,1242 1.759,1243 1.46,1244 1.418,1245 1.649,1246 1.687,1247 0.825,1248 1.664,1249 4.691,1251 5.994,1252 2.398,1253 7.476,1254 4.443,1255 9.039,1256 6.26,1257 10.646,1259 3.403,1264 11.143,1265 7.615,1266 5.853,1267 10.744,1270 -4.572,1271 1.717,1273 60.227,1274 152.503,1275 377.103,1276 533.769,1277 585.95,1278 600.97,1279 604.97,1280 173.748,1281 8.1,1282 162.95,1283 162.95,1284 29,1285 12.935,1286 4.392,1287 3.7,1288 89.382,1289 261,1290 252,1291 0.156,1292 368.056,1293 658.95,1294 889.817,1295 36870,1297 35.459,1298 0.709,1299 0.583,1300 35.459,1301 29.144,1302 24.173,1303 0.448,1304 0.333,1305 17.724,1306 23.194,1307 17.359,1308 14.308,1309 24.173,1310 17.967,1311 21.544,1312 0.295,1313 0.19,1314 21.544,1315 13.848,1316 17.372,1317 0.189,1318 0.106,1319 17.372,1320 9.717,1321 14.062,1322 0.122,1323 0.061,1324 14.062,1325 7.055,1326 10.929,1327 0.079,1328 0.036,1329 10.929,1330 4.964,1331 0.243,1332 152.085,1333 0.167,1334 42.287,1335 0.435,1336 254,1337 748.852,1338 281.843,1339 702.249,1340 929.82,1341 656,1342 292,1343 647.734,1344 318.935,1345 646.367,1346 941.46,1347 610,1348 4}
{0 CHEMBL22389,1 1.532,2 11.107,3 2.632,4 6.926,5 106.821,6 7.76,7 0.6,8 3.953,9 4.072,10 3.548,11 3.537,12 5.157,13 3.517,14 4.412,15 4.563,16 3.824,17 3.874,18 5.598,19 3.826,20 4.681,21 4.888,22 3.852,23 3.949,24 5.831,25 3.875,26 4.694,27 4.927,28 3.778,29 3.819,30 5.882,31 3.756,32 4.609,33 4.831,34 3.75,35 3.771,36 5.812,37 3.726,38 4.588,39 4.804,40 3.764,41 3.829,42 5.75,43 3.764,44 4.632,45 4.847,46 3.779,47 3.866,48 5.791,49 3.806,50 4.61,51 4.815,52 3.809,53 3.893,54 5.876,55 3.829,56 0.051,57 0.693,58 8.657,59 4.077,60 8.714,61 5.159,62 0.165,63 1.055,64 14.927,65 6.429,66 22.634,67 8.418,68 0.241,69 1.298,70 22.484,71 8.614,72 44.989,73 11.555,74 0.38,75 1.282,76 24.702,77 8.178,78 63.721,79 10.967,80 0.402,81 1.197,82 22.46,83 7.014,84 67.596,85 9.204,86 0.301,87 1.178,88 21.141,89 7.53,90 47.685,91 10.211,92 0.282,93 1.207,94 22.439,95 7.882,96 55.597,97 10.329,98 0.331,99 1.197,100 21.219,101 7.89,102 64.661,103 10.437,105 5,106 38,107 0.257,108 0.531,109 0.689,110 0.818,111 0.868,112 0.875,113 3.374,114 0.886,115 -3.75,116 -3.71,117 -3.53,120 45.8,122 1,128 1,140 12,141 3,143 2,149 1,153 2,163 1,165 15,168 4,171 2,173 3,176 15,181 1,182 6,185 1,187 4,190 8,194 1,195 6,198 1,199 1,200 6,203 2,206 2,207 6,212 4,215 3,220 7,223 2,225 5,227 7,231 6,236 5,239 11,244 1,245 7,248 1,250 4,253 15,258 6,263 1,266 16,270 1550,271 19.242,272 19.242,273 19.242,274 19.242,275 19.242,276 16.598,277 12.709,278 12.018,279 19.382,280 14.855,281 14.855,282 14.855,283 14.855,284 14.855,285 11.03,286 11.568,287 5.769,288 15.027,289 4.053,290 2.425,291 1.485,292 0.714,293 0.417,294 0.375,295 4.06,300 1,301 1,302 1,303 660,304 3.937,307 336.329,313 1.472,314 25.893,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 60,326 311,327 4.162,328 3.581,329 6.054,330 3.841,331 2.844,332 3.677,333 1.114,334 8.716,335 2.832,336 4.142,337 3.549,338 6.018,339 3.787,340 2.782,341 3.671,342 0.98,343 8.537,344 2.789,345 3.932,346 2.948,347 5.557,348 3.6,349 2.602,350 3.457,351 0.873,352 7.591,353 2.594,354 3.529,355 2.498,356 5.047,357 3.192,358 2.214,359 2.741,361 6.118,362 2.161,363 3.299,364 2.187,365 4.319,366 2.827,367 1.848,368 2.563,370 4.29,371 1.803,372 3.188,373 2.175,374 4.182,375 2.727,376 1.718,377 2.389,379 3.918,380 1.726,381 2.899,382 1.684,383 3.607,384 2.434,385 1.44,386 2.041,388 3.062,389 1.43,390 2.679,391 1.471,392 3.537,393 2.243,394 1.275,395 1.705,397 2.82,398 1.232,399 2.551,400 1.324,401 3.432,402 2.04,403 1.031,404 1.5,406 2.457,407 1.033,408 2.5,409 1.323,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.5,418 1,419 3.247,420 2,421 1,422 1.5,424 2.136,425 1,426 2.5,427 1,428 3.247,429 1.956,430 1,431 1.489,433 2.136,434 0.953,435 2.352,436 1,437 3.147,438 1.786,439 0.778,440 1.128,442 1.763,443 0.775,444 1.182,445 0.632,446 2.704,447 0.926,448 -0.077,449 -0.09,451 -0.192,452 -0.077,453 1.106,454 0.371,455 2.502,456 0.754,457 -0.242,458 -0.292,460 -0.581,461 -0.238,462 13.267,463 0.474,464 0.452,465 0.016,466 39.5,467 1.411,468 22.5,469 0.804,470 17,471 0.607,472 18.4,473 0.657,474 28.733,475 0.599,476 30.133,477 1.076,478 8.362,479 0.299,480 5.358,481 0.191,482 0.05,484 0.226,490 0.641,491 1.079,492 0.755,493 0.957,494 0.551,495 0.883,496 0.658,497 1.193,498 0.968,499 1.133,500 0.63,501 1.099,502 0.902,503 1.154,504 1.007,505 1.137,506 0.886,507 1.097,508 1.286,509 1.035,510 1.022,511 0.98,512 1.285,513 0.963,514 1.558,515 0.975,516 1.086,517 0.84,518 1.501,519 0.876,520 0.994,521 1.086,522 0.965,523 0.986,524 0.982,525 0.971,526 1.361,527 0.994,528 1.025,529 0.912,530 1.358,531 0.915,532 0.989,533 0.934,534 0.989,535 0.966,536 0.899,537 0.968,538 4,539 0.112,540 2.222,541 1.438,542 0.773,543 0.59,544 0.386,545 0.302,546 0.247,547 0.224,548 10232,549 28750,550 2.076,551 41.7,553 13,555 3,556 2,558 2,560 1.715,561 2,562 3.442,563 0.212,564 1,565 1,569 73.532,570 1.532,571 3.16,572 4.1,573 4.871,574 5.168,575 5.21,576 2.802,577 3.968,578 4.78,579 3.611,580 1364.88,581 8.334,582 19176.9,584 1,586 1,587 268.078,588 1.095,589 4.765,590 0.133,591 0.004,592 0.058,593 0.039,594 0.023,595 0.018,596 0.011,597 0.009,598 0.007,599 0.007,600 0.309,601 0.33,602 1,603 0.444,604 142.307,605 0.011,606 0.04,607 0.028,608 0.023,609 -0.035,610 0.026,611 0.091,612 -0.113,613 -0.125,614 -0.162,615 0.008,616 -0.175,617 0.035,618 -0.156,619 -0.052,620 -0.166,621 0.014,622 -0.131,623 -0.012,624 -0.043,625 0.019,626 -0.041,627 -0.017,628 -0.015,629 -0.158,630 0.059,631 -0.049,632 0.076,633 -0.132,634 0.038,635 0.044,636 -0.079,637 0.019,638 -0.029,639 0.004,640 -0.014,641 -0.181,642 -0.004,643 -0.025,644 0.05,645 -0.139,646 0.04,647 0.058,648 0.07,649 -0.022,650 0.003,651 0.145,652 -0.011,653 2.03,654 5.495,655 0.643,656 26.929,657 1.003,658 1.119,659 2.516,660 6.329,661 0.688,662 3.434,663 3.664,664 3.85,665 4.007,666 4.143,667 4.007,668 4.078,669 4.111,670 4.174,671 4.205,672 6.915,673 0.661,674 372.46,675 3.434,676 4.92,677 5.72,678 6.541,679 7.353,680 8.178,681 8.994,682 9.82,683 10.638,684 11.465,685 8.3,692 2,694 1,695 1,699 14,700 1,704 3,706 18,710 1,720 48,723 21,724 2,725 30,727 50,728 22,729 17,730 2,731 10,732 2,735 3,736 3,738 1,748 2,749 20,750 2,754 3,759 2,761 1,762 1,763 2,764 1,765 1,768 20,769 6,770 2,771 6,775 4,780 1,781 2,785 1,789 3,813 3,821 28,828 1,829 2,833 1,840 4.2,843 2,847 14,848 8.317,849 6.389,850 2.681,851 2.539,852 1.376,853 0.97,854 6.917,855 9.293,856 3.761,857 4.256,858 4.738,859 5.187,860 5.625,861 5.429,862 5.674,863 5.759,864 6.067,865 6.332,866 1,867 37,868 10.318,870 4.274,871 7.863,872 19.338,874 15.141,877 2.363,878 66.167,881 1,882 211.88,883 162.358,884 69.348,886 50.29,889 162.358,890 262.17,891 69.348,893 38.434,894 113.715,895 120.845,896 44.315,898 176.567,900 211.88,901 231.705,902 50.29,905 188.338,906 73.832,909 73.191,910 132.681,911 25.833,913 211.88,914 119.637,915 162.358,918 211.88,919 21.501,920 140.857,921 35.899,922 83.738,923 211.88,924 119.637,925 162.358,927 0.557,928 0.316,929 0.166,930 0.086,931 15,932 6,933 0.14,934 7,936 1,937 4.123,938 221.63,940 18,941 126.606,945 19.311,946 10.029,947 6.05,949 119.637,950 25.106,951 3.908,955 2.02,957 35.899,958 493.875,959 42,964 24.571,966 1.53,967 4.024,968 -0.566,969 48.131,970 53.734,971 0.274,972 0.566,973 0.734,974 0.872,975 0.925,976 0.933,977 4.931,978 1.275,979 5.638,980 3.062,981 4.344,982 4.942,983 1.936,984 6.323,985 4.325,986 6.086,987 1.031,988 7.114,989 2.82,990 3.611,991 4.27,993 6.952,994 3.621,995 7.332,996 1,997 8.692,998 2.457,999 5.808,1000 6.973,1001 1.959,1002 10.022,1003 5.776,1004 8.611,1005 1,1006 10.333,1007 2.136,1008 5.943,1009 7.128,1011 11.524,1012 5.945,1013 9.921,1014 1,1015 12.017,1016 2.136,1017 7.537,1018 9.255,1019 2.013,1020 14.041,1021 7.501,1022 11.253,1023 0.778,1024 13.73,1025 2.136,1026 8.099,1027 9.837,1029 15.894,1030 8.093,1031 12.603,1032 -0.077,1033 15.463,1034 1.763,1035 9.407,1036 11.661,1037 2.095,1038 18.199,1039 9.372,1040 2.844,1041 -0.242,1042 17.209,1043 -0.192,1044 10.19,1045 12.491,1047 20.207,1048 10.178,1049 2.782,1050 8.716,1051 18.966,1052 -0.581,1053 11.356,1054 14.134,1055 2.203,1056 22.424,1057 11.324,1058 2.602,1059 8.537,1060 20.73,1061 3.677,1062 12.255,1063 15.12,1065 24.504,1066 12.238,1067 2.214,1068 7.591,1069 22.499,1070 3.671,1071 13.35,1072 16.648,1073 2.331,1074 26.683,1075 13.32,1076 1.848,1077 6.118,1078 24.272,1079 3.457,1080 14.311,1081 17.735,1083 28.799,1084 14.289,1085 1.718,1086 4.29,1087 26.049,1088 2.741,1089 15.371,1090 19.186,1091 2.477,1092 30.962,1093 15.341,1094 1.44,1095 3.918,1096 27.829,1097 2.563,1098 16.364,1099 20.341,1101 33.095,1102 16.338,1103 9860,1104 16672,1105 20.455,1106 33.023,1107 44.063,1108 45.227,1109 43.751,1110 43.039,1111 43.066,1112 58.724,1113 5.934,1114 111.358,1115 42.655,1116 5.056,1117 5.581,1118 5.855,1119 4.878,1120 4.844,1121 6.677,1122 2.229,1123 14.912,1124 4.832,1125 9.479,1126 1.469,1127 1.508,1128 1.458,1129 1.435,1130 1.436,1131 1.957,1132 0.198,1133 3.712,1134 1.422,1135 3.971,1136 4.007,1137 3.906,1138 3.891,1139 7.431,1140 3.887,1141 3.889,1142 3.918,1143 3.832,1144 3.831,1145 7.427,1146 3.824,1147 3.881,1148 3.915,1149 3.816,1150 3.772,1151 4.886,1152 3.781,1153 3.621,1154 3.685,1155 3.536,1156 3.445,1157 4.774,1158 3.457,1159 3.352,1160 3.409,1161 3.292,1162 3.077,1163 4.721,1164 3.122,1165 3.179,1166 3.207,1167 3.101,1168 2.999,1169 4.671,1170 3.017,1171 2.973,1172 3.029,1173 2.859,1174 2.814,1175 4.024,1176 2.815,1177 2.854,1178 2.925,1179 2.687,1180 2.735,1181 3.815,1182 2.715,1183 0.139,1184 0.119,1185 0.202,1186 0.128,1187 0.095,1188 4.162,1189 0.123,1190 3.581,1191 0.037,1192 6.054,1193 0.291,1194 3.841,1195 0.094,1196 2.844,1197 3.677,1198 1.114,1199 8.716,1200 2.832,1201 1.933,1202 1.903,1203 2.06,1204 2.036,1205 1.241,1206 2.043,1207 1.895,1208 1.869,1209 2.014,1210 1.979,1211 1.074,1212 1.991,1213 1.84,1214 1.807,1215 1.944,1216 1.975,1217 0.962,1218 1.969,1219 1.573,1220 1.514,1221 1.751,1222 1.777,1223 0.901,1224 1.772,1225 1.212,1226 1.163,1227 1.368,1228 1.529,1229 0.375,1230 1.482,1231 1.109,1232 1.078,1233 1.286,1234 1.331,1235 0.287,1236 1.318,1237 0.945,1238 0.89,1239 1.181,1240 1.151,1241 0.229,1242 1.155,1243 0.886,1244 0.821,1245 1.181,1246 1.062,1247 0.218,1248 1.107,1249 4.111,1251 5.361,1253 6.804,1255 8.323,1257 9.878,1265 0.547,1266 5.411,1270 -0.385,1273 31.73,1274 73.532,1275 151.7,1276 196.794,1277 233.814,1278 248.078,1279 250.078,1280 54.963,1281 6.753,1282 83.45,1283 83.45,1284 18,1285 12.042,1286 4.459,1287 3.7,1288 49.415,1289 109,1290 118,1291 0.201,1292 199.663,1293 349.28,1294 478.937,1295 7106,1297 19.606,1298 0.7,1299 0.541,1300 19.606,1301 15.156,1302 13.72,1303 0.457,1304 0.295,1305 8.761,1306 13.31,1307 8.588,1308 7.182,1309 13.72,1310 8.856,1311 11.523,1312 0.303,1313 0.16,1314 11.523,1315 6.097,1316 9.278,1317 0.202,1318 0.087,1319 9.278,1320 3.995,1321 7.315,1322 0.135,1323 0.048,1324 7.315,1325 2.598,1326 5.581,1327 0.09,1328 0.027,1329 5.581,1330 1.651,1331 0.317,1332 85.339,1333 0.221,1334 27.12,1335 0.543,1336 136,1337 417.427,1338 146.979,1339 410.167,1340 548.99,1341 382,1342 152,1343 390.456,1344 162.981,1345 398.332,1346 566.95,1347 374,1348 4.414}
{0 CHEMBL23910,1 1.759,2 13.732,3 1.067,4 1.138,5 145.459,6 8.367,7 0.409,8 4.307,9 4.422,10 3.946,11 3.835,12 5.563,13 3.847,14 4.817,15 4.965,16 4.334,17 4.197,18 6.207,19 4.199,20 5.112,21 5.286,22 4.484,23 4.324,24 6.68,25 4.312,26 5.188,27 5.394,28 4.418,29 4.292,30 6.562,31 4.287,32 5.18,33 5.366,34 4.505,35 4.305,36 6.69,37 4.328,38 5.231,39 5.415,40 4.586,41 4.32,42 6.82,43 4.363,44 5.236,45 5.411,46 4.548,47 4.306,48 6.82,49 4.352,50 5.217,51 5.412,52 4.462,53 4.302,54 6.688,55 4.321,56 0.198,57 1.141,58 10.649,59 5.643,60 33.75,61 6.482,62 0.679,63 1.932,64 20.762,65 9.292,66 94.822,67 11.002,68 1.387,69 2.181,70 32.482,71 12.321,72 236.266,73 15.217,74 1.37,75 2.282,76 39.195,77 12.639,78 219.509,79 15.26,80 1.379,81 2.407,82 37.534,83 12.908,84 232.836,85 14.376,86 1.478,87 2.429,88 40.092,89 13.064,90 238.746,91 14.761,92 1.656,93 2.66,94 40.324,95 13.233,96 248.881,97 13.196,98 1.49,99 2.439,100 41.025,101 13.248,102 249.666,103 14.425,105 50,106 61,107 0.274,108 0.599,109 0.745,110 0.836,111 0.867,112 0.881,113 3.742,114 0.852,115 -2.86,116 -2.87,117 -2.78,120 43.3,122 1,126 2,128 1,131 1,137 1,138 1,140 12,141 3,143 2,151 1,153 4,158 1,159 1,160 1,165 15,167 2,168 4,171 2,173 2,176 15,181 1,182 4,184 3,185 5,187 3,190 8,194 4,195 6,198 1,200 4,203 1,206 3,207 9,210 3,211 1,212 6,217 1,219 2,220 11,222 1,223 1,224 1,225 4,226 1,229 1,230 2,231 13,233 1,234 3,236 5,239 2,242 1,244 3,245 10,248 1,250 5,253 5,256 1,258 10,260 1,261 1,263 4,266 10,268 1,270 3938,271 27.222,272 27.222,273 27.222,274 27.222,275 27.222,276 24.057,277 24.472,278 16.186,279 27.583,280 21.658,281 21.658,282 21.658,283 21.658,284 21.658,285 16.909,286 25.393,287 7.689,288 22.253,289 4.308,290 2.228,291 1.291,292 0.709,293 0.507,294 0.418,295 4.429,302 1,303 1196,304 5.148,307 644.654,313 2.08,314 83.097,317 0.75,318 0.5,319 0.67,320 0.5,322 0.5,324 0.42,325 92,326 563,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.894,333 3.524,334 13.509,335 3.271,336 4.448,337 3.823,338 6.747,339 4.123,340 3.168,341 3.814,342 1.973,343 10.959,344 3.023,345 3.97,346 3.597,347 5.987,348 3.675,349 2.693,350 3.455,351 1.905,352 8.341,353 2.635,354 3.948,355 3.441,356 5.937,357 3.566,358 2.575,359 3.439,360 1.274,361 8.122,362 2.548,363 3.894,364 3.033,365 5.36,366 3.511,367 2.518,368 3.411,369 1.251,370 6.988,371 2.5,372 3.723,373 2.908,374 5.304,375 3.384,376 2.387,377 2.921,378 0.78,379 6.722,380 2.372,381 3.468,382 2.717,383 5.22,384 3.134,385 2.127,386 2.644,387 0.532,388 6.152,389 2.135,390 3.317,391 2.661,392 4.917,393 2.827,394 1.862,395 2.549,396 0.315,397 5.14,398 1.783,399 3.087,400 2.146,401 4.585,402 2.636,403 1.674,404 2.143,405 0.155,406 4.291,407 1.6,408 2.974,409 2.142,410 4.333,411 2.556,412 1.591,413 2.104,415 4.003,416 1.524,417 2.903,418 1.984,419 3.76,420 2.465,421 1.459,422 2.059,424 3.121,425 1.466,426 2.712,427 1.646,428 3.603,429 2.328,430 1.349,431 1.719,433 3.014,434 1.301,435 2.674,436 1.578,437 3.569,438 2.157,439 1.193,440 1.681,442 2.759,443 1.144,444 2.5,445 1.491,446 3.498,447 2,448 1,449 1.5,451 2.136,452 1,453 2.5,454 1.268,455 3.247,456 2,457 1,458 1.5,460 2.136,461 1,462 18.805,463 0.459,464 1.095,465 0.027,466 53.5,467 1.305,468 27,469 0.659,470 26.5,471 0.646,472 36.326,473 0.886,474 44.195,475 0.66,476 54.904,477 1.339,478 11.384,479 0.278,480 8.279,481 0.202,482 0.123,483 0.027,484 0.287,486 2,490 0.64,491 1.111,492 0.685,493 1.018,494 0.592,495 0.891,496 0.636,497 1.098,498 0.803,499 1.101,500 0.628,501 1.023,502 0.652,503 0.998,504 0.884,505 1.112,506 0.728,507 1.09,508 1.148,509 0.958,510 1.037,511 0.93,512 1.185,513 0.942,514 1.355,515 1.229,516 1.052,517 1.032,518 1.352,519 0.961,520 1.312,521 1.151,522 0.915,523 0.945,524 1.313,525 0.838,526 1.814,527 1.312,528 1.256,529 1.024,530 1.851,531 0.979,532 1.568,533 1.15,534 1.141,535 0.902,536 1.586,537 0.889,538 8.5,539 0.413,540 5.333,541 3.063,542 2.498,543 1.937,544 1.384,545 0.96,546 0.748,547 0.624,548 26340,549 84667,550 2.015,551 38.8,553 17,554 1,555 2,556 4,558 2,560 1.813,561 1.871,562 3.69,563 1.459,569 117.825,570 1.759,571 3.838,572 4.775,573 5.357,574 5.559,575 5.648,576 3.184,577 4.949,578 5.328,579 3.899,580 3197.46,581 9.456,582 56227.8,587 406.428,588 1.557,589 5.274,590 0.193,591 0.006,592 0.087,593 0.046,594 0.04,595 0.028,596 0.019,597 0.014,598 0.012,599 0.01,600 0.456,601 0.17,602 0.63,603 0.566,604 231.635,605 -0.069,606 -0.079,607 0.01,608 0.004,609 -0.077,610 0.03,611 0.136,612 -0.022,613 0.006,614 -0.101,615 0.072,616 -0.093,617 0.309,618 -0.008,619 0.044,620 -0.132,621 0.236,622 -0.139,623 -0.052,624 0.024,625 -0.022,626 0.02,627 -0.083,628 0.01,629 -0.073,630 -0.06,631 -0.037,632 -0.054,633 -0.058,634 -0.033,635 -0.036,636 -0.132,637 0.115,638 0.009,639 0.032,640 0.086,641 -0.229,642 -0.005,643 -0.196,644 -0.049,645 -0.211,646 -0.095,647 -0.218,648 -0.027,649 -0.088,650 0.069,651 -0.184,652 0.044,653 5.71,654 7.145,655 0.585,656 48.443,657 1.025,658 1.135,659 1.631,660 2.661,661 0.673,662 3.807,663 4.127,664 4.369,665 4.543,666 4.745,667 4.754,668 4.812,669 4.89,670 4.956,671 4.99,672 8.232,673 0.665,674 560.61,675 3.807,676 5.352,677 6.192,678 7.06,679 7.92,680 8.795,681 9.663,682 10.542,683 11.414,684 12.297,685 9,686 1,692 3,694 1,695 1,699 14,700 1,704 3,706 18,720 67,723 24,724 2,725 44,727 70,728 29,729 17,730 2,731 10,732 4,735 4,736 4,743 1,748 3,749 24,750 5,754 6,759 4,761 1,762 1,763 6,766 2,768 26,769 12,770 4,771 12,775 6,776 1,780 1,781 4,785 1,789 4,798 1,800 2,801 1,805 1,807 1,813 4,819 2,821 41,822 1,828 3,829 2,833 1,834 1,835 1,839 2,840 6,843 4,847 21.917,848 11.719,849 9.056,850 3.674,851 2.557,852 1.331,853 0.976,854 9.461,855 10.287,856 4.094,857 4.62,858 5.095,859 5.497,860 5.967,861 5.95,862 6.234,863 6.475,864 6.708,865 6.81,866 1,867 66,868 15.957,870 7.713,871 8.258,872 27.634,874 22.274,877 2.758,878 113.083,882 258.964,883 183.316,884 105.614,886 100.58,887 29.92,889 183.316,890 359.544,891 135.534,893 87.836,894 113.715,895 165.24,896 76.181,897 11.771,898 223.651,900 258.964,901 288.93,902 130.5,905 235.422,906 154.042,908 1.824,909 113.669,910 153.894,911 19.542,913 288.884,914 206.194,915 183.316,918 260.788,919 40.635,920 143.982,921 36.022,922 196.968,923 258.964,924 236.114,925 183.316,927 0.583,928 0.342,929 0.171,930 0.094,931 26,932 13,933 0.157,934 11,936 1,937 4.85,938 407.928,940 24,941 207.66,945 29.412,946 13.188,947 7.343,949 236.114,950 22.637,951 3.977,955 1.422,957 68.919,958 678.394,959 59,964 51.437,966 1.134,967 4.13,968 -5.475,969 68.665,970 76.074,971 0.29,972 0.633,973 0.787,974 0.883,975 0.916,976 0.931,977 5.335,978 1.862,979 6.196,980 6.152,981 4.812,982 5.308,983 3.694,984 7.031,985 4.755,986 6.538,987 1.674,988 7.784,989 5.14,990 4.511,991 5.007,992 3.758,993 8.199,994 4.381,995 7.842,996 1.591,997 9.493,998 4.291,999 6.46,1000 7.374,1001 5.396,1002 11.288,1003 6.32,1004 9.182,1005 1.459,1006 11.28,1007 4.003,1008 7.013,1009 7.837,1010 6.325,1011 13.351,1012 6.778,1013 10.555,1014 1.349,1015 13.121,1016 3.121,1017 8.466,1018 9.704,1019 7.653,1020 16.058,1021 8.204,1022 11.953,1023 1.193,1024 15.002,1025 3.014,1026 9.397,1027 10.525,1028 8.832,1029 18.452,1030 9.035,1031 13.371,1032 1,1033 16.913,1034 2.759,1035 10.683,1036 12.168,1037 10.102,1038 21.065,1039 10.273,1040 3.517,1041 1,1042 18.847,1043 2.136,1044 11.783,1045 13.184,1046 11.342,1047 23.581,1048 11.276,1049 3.168,1050 13.509,1051 20.801,1052 2.136,1053 13.018,1054 14.705,1055 12.603,1056 26.174,1057 12.449,1058 2.693,1059 10.959,1060 22.769,1061 3.894,1062 14.193,1063 15.838,1064 13.858,1065 28.736,1066 13.533,1067 2.575,1068 8.341,1069 24.75,1070 3.814,1071 15.42,1072 17.287,1073 15.118,1074 31.327,1075 14.687,1076 2.518,1077 8.122,1078 26.74,1079 3.455,1080 16.628,1081 18.494,1082 16.376,1083 33.909,1084 15.81,1085 2.387,1086 6.988,1087 28.738,1088 3.439,1089 17.858,1090 19.899,1091 17.635,1092 36.502,1093 16.963,1094 2.127,1095 6.722,1096 30.743,1097 3.411,1098 19.083,1099 21.154,1100 18.895,1101 39.093,1102 18.107,1103 25286,1104 45570,1105 28.72,1106 45.103,1107 67.181,1108 68.447,1109 67.381,1110 65.418,1111 65.274,1112 84.556,1113 23.419,1114 186.599,1115 63.508,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.894,1122 5.246,1123 21.66,1124 5.271,1125 22.381,1126 1.527,1127 1.556,1128 1.531,1129 1.487,1130 1.484,1131 1.922,1132 0.532,1133 4.241,1134 1.443,1135 3.998,1136 4.036,1137 3.949,1138 3.894,1139 8.363,1140 3.895,1141 3.924,1142 3.96,1143 3.874,1144 3.843,1145 7.999,1146 3.835,1147 3.904,1148 3.937,1149 3.829,1150 3.812,1151 7.436,1152 3.824,1153 3.765,1154 3.797,1155 3.729,1156 3.587,1157 7.426,1158 3.616,1159 3.72,1160 3.756,1161 3.672,1162 3.539,1163 7.423,1164 3.57,1165 3.54,1166 3.586,1167 3.48,1168 3.296,1169 7.411,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.15,1175 5.081,1176 3.162,1177 3.166,1178 3.233,1179 3.044,1180 2.988,1181 4.909,1182 2.99,1183 0.105,1184 0.106,1185 0.174,1186 0.101,1187 0.08,1188 4.631,1189 0.088,1190 4.65,1191 0.08,1192 7.668,1193 0.307,1194 4.449,1195 0.074,1196 3.517,1197 3.894,1198 3.524,1199 13.509,1200 3.271,1201 1.929,1202 1.9,1203 2.057,1204 2.05,1205 1.244,1206 2.041,1207 1.91,1208 1.88,1209 2.04,1210 2.02,1211 1.151,1212 2.017,1213 1.879,1214 1.843,1215 1.968,1216 2,1217 1.037,1218 2.01,1219 1.68,1220 1.645,1221 1.801,1222 1.877,1223 0.928,1224 1.857,1225 1.626,1226 1.596,1227 1.734,1228 1.835,1229 0.835,1230 1.803,1231 1.423,1232 1.379,1233 1.591,1234 1.695,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.52,1240 1.528,1241 0.588,1242 1.526,1243 1.12,1244 1.068,1245 1.307,1246 1.357,1247 0.411,1248 1.348,1249 4.489,1251 5.808,1253 7.324,1255 8.926,1257 10.572,1261 30.289,1263 5.715,1265 -1.237,1266 4.357,1270 -1.797,1271 0.955,1272 -4.46,1273 44.549,1274 117.825,1275 257.154,1276 319.899,1277 358.918,1278 372.428,1279 378.428,1280 144.933,1281 7.73,1282 149.07,1283 149.07,1284 24,1285 12.833,1286 4.644,1287 4,1288 75.598,1289 194,1290 233,1291 0.177,1292 274.611,1293 501.82,1294 661.811,1295 24986,1296 3,1297 29.407,1298 0.717,1299 0.528,1300 27.614,1301 21.667,1302 19.663,1303 0.447,1304 0.284,1305 12.286,1306 18.831,1307 12.1,1308 9.992,1309 18.902,1310 12.499,1311 17.808,1312 0.292,1313 0.149,1314 16.615,1315 9.087,1316 14.957,1317 0.192,1318 0.078,1319 13.445,1320 6.12,1321 11.104,1322 0.119,1323 0.043,1324 10.712,1325 4.042,1326 8.884,1327 0.078,1328 0.023,1329 8.785,1330 2.639,1331 0.277,1332 124.428,1333 0.187,1334 36.46,1335 0.488,1336 210,1337 814.078,1338 240.127,1339 730.118,1340 949.81,1341 674,1342 244,1343 656.818,1344 275.655,1345 651.52,1346 960.59,1347 611,1348 6.767}
{0 CHEMBL24071,1 1.799,2 13.2,3 0.825,4 0.68,5 138.828,6 8.292,7 0.286,8 4.302,9 4.413,10 3.916,11 3.787,12 5.579,13 3.805,14 4.82,15 4.972,16 4.32,17 4.15,18 6.271,19 4.157,20 5.122,21 5.294,22 4.467,23 4.292,24 6.712,25 4.288,26 5.204,27 5.406,28 4.423,29 4.288,30 6.606,31 4.286,32 5.192,33 5.37,34 4.5,35 4.305,36 6.708,37 4.329,38 5.258,39 5.444,40 4.58,41 4.329,42 6.871,43 4.367,44 5.262,45 5.429,46 4.561,47 4.329,48 6.94,49 4.359,50 5.272,51 5.481,52 4.45,53 4.31,54 6.755,55 4.31,56 0.281,57 1.109,58 11.19,59 5.794,60 51.311,61 6.65,62 0.847,63 1.867,64 22.231,65 9.545,66 137.63,67 11.619,68 1.598,69 2.09,70 34.173,71 12.106,72 280.437,73 15.048,74 1.619,75 2.206,76 40.81,77 12.525,78 269.185,79 15.665,80 1.586,81 2.354,82 38.268,83 12.841,84 282.992,85 14.483,86 1.853,87 2.41,88 42.476,89 13.076,90 331.748,91 15.3,92 2.097,93 2.451,94 41.337,95 13.178,96 361.581,97 14.647,98 1.812,99 2.293,100 45.238,101 13.619,102 329.451,103 16.777,105 108,106 59,107 0.283,108 0.639,109 0.799,110 0.875,111 0.896,112 0.896,113 3.718,114 0.863,115 -2.7,116 -2.71,117 -2.64,120 40.3,121 1,122 2,126 2,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,162 1,164 1,165 14,166 1,167 2,168 3,171 3,173 3,176 16,181 1,182 5,184 3,185 5,187 1,188 1,190 10,194 2,195 8,198 2,199 1,200 2,203 2,206 3,207 12,208 1,210 3,211 1,212 5,217 1,219 2,220 11,222 1,223 2,224 1,225 6,226 1,229 2,230 1,231 13,232 1,234 1,236 7,239 2,242 2,244 4,245 10,248 2,250 7,251 1,253 4,254 1,256 3,258 10,260 1,261 2,262 1,263 3,266 8,267 1,268 1,270 3562,271 25.808,272 25.808,273 25.808,274 25.808,275 25.808,276 23.162,277 26.401,278 15.143,279 26.117,280 20.641,281 20.641,282 20.641,283 20.641,284 20.641,285 16.543,286 23.644,287 7.173,288 21.156,289 4.267,290 2.006,291 0.986,292 0.5,293 0.369,294 0.369,295 4.39,303 1089,304 5.523,307 462.885,313 1.87,314 91.558,317 0.5,318 0.5,319 0.5,320 0.8,321 0.5,322 0.33,324 0.45,325 91.5,326 528,327 4.63,328 4.65,329 7.668,330 4.448,331 3.517,332 3.937,333 3.524,334 13.509,335 3.27,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 2.341,343 10.975,344 3.034,345 4.042,346 3.603,347 5.987,348 3.678,349 2.694,350 3.518,351 1.973,352 8.35,353 2.649,354 3.945,355 3.59,356 5.958,357 3.642,358 2.646,359 3.451,360 1.904,361 8.231,362 2.622,363 3.728,364 3.438,365 5.32,366 3.388,367 2.39,368 2.939,369 1.269,370 6.735,371 2.377,372 3.596,373 3.054,374 5.275,375 3.244,376 2.245,377 2.88,378 1.25,379 6.36,380 2.223,381 3.552,382 2.888,383 5.05,384 3.198,385 2.21,386 2.714,387 0.78,388 5.861,389 2.175,390 3.444,391 2.676,392 4.816,393 3.096,394 2.081,395 2.592,396 0.316,397 5.213,398 2.098,399 3.099,400 2.544,401 4.663,402 2.688,403 1.727,404 2.148,405 0.159,406 4.851,407 1.646,408 2.954,409 2.142,410 4.549,411 2.584,412 1.613,413 2.09,414 0.084,415 4.243,416 1.554,417 2.915,418 1.988,419 4.21,420 2.389,421 1.414,422 2.01,424 3.659,425 1.372,426 2.744,427 1.849,428 3.739,429 2.387,430 1.405,431 1.741,433 3.062,434 1.361,435 2.61,436 1.638,437 3.545,438 2.118,439 1.126,440 1.639,442 2.542,443 1.115,444 2.5,445 1.491,446 3.479,447 2,448 1,449 1.5,451 2.136,452 1,453 2.217,454 1.475,455 3.247,456 1.924,457 0.909,458 1.067,460 2.065,461 0.91,462 18.071,463 0.452,464 1.277,465 0.032,466 48,467 1.2,468 22.5,469 0.563,470 25.5,471 0.638,472 38.696,473 0.967,474 44.929,475 0.671,476 52.173,477 1.304,478 10.284,479 0.257,480 8.61,481 0.215,482 0.192,483 0.028,484 0.326,486 2,490 0.682,491 1.139,492 0.711,493 1.071,494 0.637,495 0.93,496 0.564,497 1.119,498 0.733,499 1.123,500 0.567,501 1.018,502 0.723,503 0.976,504 0.914,505 1.076,506 0.784,507 1.076,508 1.059,509 0.976,510 1.001,511 0.912,512 1.096,513 0.929,514 1.262,515 1.263,516 1.077,517 1.063,518 1.254,519 1.009,520 1.177,521 1.136,522 0.944,523 0.919,524 1.135,525 0.852,526 1.298,527 1.238,528 1.168,529 1.101,530 1.317,531 1.086,532 1.132,533 1.031,534 1.007,535 0.903,536 1.134,537 0.902,538 10,539 0.471,540 5.556,541 3.438,542 2.618,543 1.958,544 1.404,545 0.941,546 0.752,547 0.584,548 22784,549 82149,550 1.933,551 40.3,552 3,553 14,554 1,556 5,557 2,558 2,560 1.808,561 1.758,562 3.644,563 2.235,569 120.545,570 1.799,571 4.06,572 5.08,573 5.566,574 5.697,575 5.697,576 3.09,577 4.903,578 5.292,579 3.855,580 3006.81,581 9.388,582 51832.3,587 406.428,588 1.679,589 5.213,590 0.238,591 0.008,592 0.094,593 0.054,594 0.042,595 0.029,596 0.02,597 0.014,598 0.012,599 0.009,600 0.52,601 0.17,602 0.63,603 1.564,604 223.999,605 -0.088,606 -0.063,607 -0.009,608 0.025,609 -0.086,610 0.04,611 0.18,612 -0.022,613 0.086,614 -0.072,615 0.124,616 -0.041,617 0.207,618 0.035,619 0.005,620 -0.083,621 0.144,622 -0.118,623 -0.053,624 0.014,625 -0.011,626 0.047,627 -0.089,628 0.033,629 -0.111,630 -0.062,631 -0.098,632 -0.067,633 -0.103,634 -0.072,635 -0.027,636 -0.045,637 0.062,638 0.043,639 0.037,640 0.083,641 -0.02,642 -0.02,643 -0.168,644 -0.116,645 -0.009,646 -0.173,647 -0.069,648 -0.038,649 0.017,650 0.056,651 -0.044,652 0.069,653 5.84,654 6.864,655 0.45,656 45.255,657 1.031,658 1.14,659 1.468,660 2.156,661 0.653,662 3.761,663 4.094,664 4.304,665 4.477,666 4.673,667 4.727,668 4.779,669 4.852,670 4.898,671 4.927,672 8.019,673 0.649,674 555.59,675 3.761,676 5.313,677 6.146,678 7.02,679 7.877,680 8.758,681 9.626,682 10.511,683 11.384,684 12.272,685 7.5,686 1,692 3,694 1,699 9,704 3,706 12,720 67,723 19,724 2,725 42,727 69,728 27,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 4,749 20,750 7,754 7,759 5,761 1,762 1,763 7,766 2,768 27,769 13,770 5,771 13,775 5,776 1,780 1,781 6,789 3,798 1,800 2,801 1,802 1,805 1,807 1,811 1,813 3,817 1,819 2,821 40,822 1,827 1,828 4,829 2,833 1,834 1,835 1,839 2,840 9,842 1,843 5,847 22.75,848 11.969,849 8.806,850 3.688,851 2.376,852 1.313,853 0.935,854 10.135,855 9.962,856 4.025,857 4.543,858 4.97,859 5.358,860 5.821,861 5.915,862 6.188,863 6.439,864 6.672,865 6.788,866 0.889,867 64,868 15.702,870 7.714,871 8.456,872 26.605,874 21.281,877 2.956,878 118.25,882 258.964,883 149.062,884 88.829,886 168.408,887 29.92,889 149.062,890 427.372,891 118.749,892 8.825,893 90.371,894 85.286,895 193.65,896 58.087,897 11.771,898 247.193,900 258.964,901 237.891,902 198.328,905 235.422,906 221.87,908 1.824,909 106.934,910 126.376,911 2.757,913 288.884,914 257.237,915 149.062,918 260.788,919 44.079,920 106.283,921 36.022,922 248.011,923 258.964,924 287.157,925 149.062,927 0.588,928 0.333,929 0.162,930 0.089,931 24,932 14,933 0.174,934 12,936 1,937 4.638,938 388.69,940 18,941 202.877,945 30.451,946 13.313,947 7.969,949 287.157,950 14.851,955 1.745,957 111.602,958 695.183,959 55,964 61.511,966 1.139,967 4.165,968 -7.146,969 69.101,970 76.41,971 0.297,972 0.669,973 0.838,974 0.918,975 0.939,976 0.939,977 5.283,978 2.081,979 6.172,980 5.861,981 4.779,982 5.231,983 3.876,984 7.015,985 4.727,986 6.498,987 1.727,988 7.77,989 5.213,990 4.575,991 5.085,992 3.937,993 8.204,994 4.451,995 7.813,996 1.613,997 9.486,998 4.851,999 6.441,1000 7.291,1001 5.548,1002 11.283,1003 6.307,1004 9.16,1005 1.414,1006 11.276,1007 4.243,1008 7.04,1009 7.874,1010 6.427,1011 13.348,1012 6.812,1013 10.539,1014 1.405,1015 13.118,1016 3.659,1017 8.455,1018 9.628,1019 7.735,1020 16.057,1021 8.199,1022 11.94,1023 1.126,1024 14.999,1025 3.062,1026 9.408,1027 10.544,1028 8.883,1029 18.452,1030 9.053,1031 13.361,1032 1,1033 16.91,1034 2.542,1035 10.678,1036 12.11,1037 10.14,1038 21.067,1039 10.274,1040 3.517,1041 0.909,1042 18.845,1043 2.136,1044 11.788,1045 13.201,1046 11.366,1047 23.583,1048 11.289,1049 3.173,1050 13.509,1051 20.799,1052 2.065,1053 13.018,1054 14.672,1055 12.62,1056 26.175,1057 12.455,1058 2.694,1059 10.975,1060 22.768,1061 3.937,1062 14.197,1063 15.863,1064 13.869,1065 28.738,1066 13.545,1067 2.646,1068 8.35,1069 24.749,1070 3.813,1071 15.421,1072 17.283,1073 15.125,1074 31.328,1075 14.697,1076 2.39,1077 8.231,1078 26.739,1079 3.518,1080 16.632,1081 18.534,1082 16.381,1083 33.91,1084 15.823,1085 2.245,1086 6.735,1087 28.738,1088 3.451,1089 17.861,1090 19.924,1091 17.639,1092 36.503,1093 16.975,1094 2.21,1095 6.36,1096 30.743,1097 2.939,1098 19.087,1099 21.213,1100 18.897,1101 39.094,1102 18.12,1103 22697,1104 43323,1105 26.353,1106 43.767,1107 64.323,1108 66.226,1109 65.589,1110 62.556,1111 62.409,1112 78.786,1113 27.201,1114 180.754,1115 60.867,1116 5.606,1117 6.65,1118 7.47,1119 5.518,1120 5.517,1121 6.937,1122 5.246,1123 21.658,1124 5.27,1125 27.147,1126 1.532,1127 1.577,1128 1.562,1129 1.489,1130 1.486,1131 1.876,1132 0.648,1133 4.304,1134 1.449,1135 4.007,1136 4.042,1137 3.959,1138 3.913,1139 8.363,1140 3.915,1141 3.932,1142 3.963,1143 3.873,1144 3.863,1145 7.999,1146 3.858,1147 3.797,1148 3.829,1149 3.752,1150 3.622,1151 7.475,1152 3.649,1153 3.762,1154 3.8,1155 3.711,1156 3.57,1157 7.436,1158 3.603,1159 3.644,1160 3.685,1161 3.554,1162 3.441,1163 7.426,1164 3.458,1165 3.5,1166 3.528,1167 3.448,1168 3.251,1169 7.423,1170 3.292,1171 3.308,1172 3.354,1173 3.216,1174 3.103,1175 7.411,1176 3.119,1177 3.196,1178 3.271,1179 3.063,1180 3.051,1181 6.351,1182 3.039,1183 0.11,1184 0.111,1185 0.183,1186 0.106,1187 0.084,1188 4.63,1189 0.094,1190 4.65,1191 0.084,1192 7.668,1193 0.322,1194 4.448,1195 0.078,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.27,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.245,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.161,1212 2.031,1213 1.711,1214 1.674,1215 1.846,1216 1.913,1217 1.081,1218 1.893,1219 1.665,1220 1.631,1221 1.816,1222 1.887,1223 0.95,1224 1.869,1225 1.573,1226 1.529,1227 1.735,1228 1.795,1229 0.875,1230 1.777,1231 1.366,1232 1.335,1233 1.537,1234 1.644,1235 0.63,1236 1.595,1237 1.236,1238 1.191,1239 1.53,1240 1.488,1241 0.568,1242 1.477,1243 1.211,1244 1.141,1245 1.4,1246 1.419,1247 0.456,1248 1.459,1249 4.443,1251 5.771,1253 7.286,1255 8.886,1257 10.535,1259 1.813,1261 29.727,1263 5.712,1264 8.664,1265 -2.361,1266 3.935,1270 -1.873,1271 0.959,1272 -4.59,1273 43.484,1274 120.545,1275 272.05,1276 340.389,1277 372.918,1278 381.673,1279 381.673,1280 180.346,1281 7.586,1282 173.48,1283 173.48,1284 18,1285 12.805,1286 4.322,1287 3.807,1288 86.686,1289 187,1290 218,1291 0.216,1292 269.873,1293 502.34,1294 650.249,1295 20120,1296 3,1297 29.449,1298 0.736,1299 0.535,1300 27.656,1301 21.395,1302 18.895,1303 0.45,1304 0.288,1305 11.852,1306 17.985,1307 11.637,1308 9.607,1309 18.134,1310 12.077,1311 17.686,1312 0.3,1313 0.152,1314 16.493,1315 8.946,1316 13.971,1317 0.191,1318 0.08,1319 12.458,1320 5.805,1321 10.283,1322 0.118,1323 0.044,1324 9.898,1325 3.836,1326 8.006,1327 0.076,1328 0.023,1329 7.849,1330 2.475,1331 0.337,1332 120.475,1333 0.195,1334 35.604,1335 0.599,1336 202,1337 842.318,1338 235.167,1339 748.133,1340 955.57,1341 686,1342 233,1343 647.372,1344 265.648,1345 637.958,1346 939.08,1347 597,1348 5.845}
{0 CHEMBL24211,1 1.747,2 11.405,3 1.326,4 1.759,5 132.941,6 7.993,7 0.308,8 4.246,9 4.367,10 3.842,11 3.742,12 5.478,13 3.747,14 4.778,15 4.951,16 4.252,17 4.108,18 6.135,19 4.109,20 5.043,21 5.205,22 4.432,23 4.27,24 6.643,25 4.259,26 5.195,27 5.406,28 4.392,29 4.27,30 6.579,31 4.262,32 5.171,33 5.36,34 4.427,35 4.269,36 6.689,37 4.284,38 5.19,39 5.381,40 4.465,41 4.292,42 6.703,43 4.306,44 5.206,45 5.394,46 4.41,47 4.308,48 6.66,49 4.304,50 5.245,51 5.474,52 4.368,53 4.287,54 6.612,55 4.266,56 0.17,57 1.076,58 11.349,59 5.546,60 29.509,61 6.782,62 0.706,63 1.816,64 23.325,65 8.953,66 93.766,67 11.387,68 1.284,69 2.031,70 31.15,71 11.715,72 210.479,73 14.748,74 1.342,75 2.228,76 41.658,77 12.669,78 218.713,79 16.227,80 1.507,81 2.386,82 39.894,83 12.761,84 255.424,85 14.199,86 1.384,87 2.158,88 40.059,89 12.251,90 229.382,91 15.213,92 1.359,93 2.329,94 40.125,95 12.745,96 197.332,97 15.157,98 1.362,99 2.199,100 45.546,101 13.786,102 226.47,103 17.856,105 105,106 56,107 0.278,108 0.617,109 0.772,110 0.838,111 0.859,112 0.859,113 3.642,114 0.87,115 -3.21,116 -3.2,117 -3.08,120 40.6,121 1,122 1,125 2,126 1,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 4,158 1,159 1,160 1,165 14,167 3,168 2,171 1,173 1,176 16,181 1,182 5,184 3,185 5,187 1,190 10,194 3,195 7,200 2,203 2,206 3,207 13,210 4,212 4,217 1,219 1,220 11,222 1,223 1,224 1,225 5,226 1,229 2,230 2,231 15,236 4,239 1,242 2,244 4,245 12,250 5,253 3,256 3,258 9,260 1,261 1,263 1,266 6,268 1,270 2634,271 23.739,272 23.739,273 23.739,274 23.739,275 23.739,276 21.325,277 24.136,278 13.703,279 24.092,280 19.126,281 19.126,282 19.126,283 19.126,284 19.126,285 15.359,286 21.867,287 6.448,288 19.696,289 4.253,290 2.122,291 1.149,292 0.735,293 0.598,294 0.598,295 4.313,302 1,303 871,304 5.244,307 418.412,313 1.508,314 78.233,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.83,323 1,324 0.76,325 83.5,326 422,327 4.655,328 4.663,329 7.709,330 4.473,331 3.541,332 3.937,333 3.525,334 13.691,335 3.292,336 4.457,337 3.824,338 6.75,339 4.13,340 3.173,341 3.839,342 1.975,343 10.975,344 3.034,345 4.042,346 3.615,347 6.085,348 3.699,349 2.716,350 3.518,351 1.915,352 8.482,353 2.663,354 3.956,355 3.476,356 5.96,357 3.645,358 2.648,359 3.453,360 1.324,361 8.244,362 2.635,363 3.746,364 3.054,365 5.456,366 3.401,367 2.405,368 2.957,369 1.252,370 6.819,371 2.39,372 3.607,373 2.956,374 5.286,375 3.26,376 2.277,377 2.892,378 0.78,379 6.484,380 2.239,381 3.526,382 2.686,383 5.155,384 3.165,385 2.183,386 2.689,387 0.464,388 6.087,389 2.144,390 3.13,391 2.544,392 4.945,393 2.874,394 1.939,395 2.192,396 0.313,397 5.484,398 1.784,399 3.03,400 2.142,401 4.69,402 2.635,403 1.665,404 2.113,405 0.154,406 4.682,407 1.602,408 2.915,409 1.99,410 4.211,411 2.425,412 1.428,413 2.01,415 3.66,416 1.416,417 2.835,418 1.958,419 4.051,420 2.389,421 1.414,422 1.897,424 3.091,425 1.372,426 2.61,427 1.849,428 3.578,429 2.118,430 1.126,431 1.64,433 2.543,434 1.115,435 2.5,436 1.491,437 3.48,438 2,439 1,440 1.5,442 2.136,443 1,444 2.264,445 1.475,446 3.26,447 1.876,448 0.835,449 1.063,451 2.109,452 0.857,453 2.032,454 1.165,455 3.247,456 1.517,457 0.509,458 0.671,460 1.191,461 0.489,462 16.905,463 0.457,464 1.26,465 0.034,466 44.75,467 1.209,468 21,469 0.568,470 23.75,471 0.642,472 35.493,473 0.959,474 41.295,475 0.645,476 47.478,477 1.283,478 9.587,479 0.259,480 7.825,481 0.211,482 0.225,483 0.03,484 0.343,486 2,490 0.625,491 1.2,492 0.714,493 1.129,494 0.595,495 0.98,496 0.634,497 1,498 0.714,499 0.949,500 0.602,501 0.866,502 0.639,503 1.044,504 0.893,505 1.198,506 0.738,507 1.152,508 1.138,509 1.002,510 0.957,511 0.909,512 1.179,513 0.886,514 1.584,515 1.318,516 1.219,517 1.035,518 1.542,519 1.007,520 1.17,521 0.988,522 0.958,523 0.911,524 1.157,525 0.875,526 1.38,527 1.147,528 1.216,529 1.105,530 1.386,531 1.102,532 1.123,533 0.943,534 0.915,535 0.855,536 1.147,537 0.829,538 9.5,539 0.425,540 5.556,541 3.438,542 2.458,543 1.792,544 1.2,545 1.003,546 0.727,547 0.583,548 17905,549 58731,550 1.927,551 42.2,552 3,553 18,554 1,556 3,558 2,560 1.789,561 1.741,562 3.479,563 0.836,569 111.797,570 1.747,571 3.878,572 4.851,573 5.265,574 5.402,575 5.402,576 2.776,577 4.757,578 5.185,579 3.671,580 2444.67,581 9.17,582 39559.7,587 384,588 1.708,589 5.092,590 0.244,591 0.008,592 0.099,593 0.055,594 0.041,595 0.029,596 0.018,597 0.017,598 0.012,599 0.011,600 0.534,601 0.33,602 0.88,603 1.214,604 201.081,605 -0.056,606 -0.13,607 0.015,608 -0.041,609 -0.08,610 0.001,611 0.149,612 0.081,613 0.146,614 0.071,615 0.097,616 0.101,617 0.325,619 0.007,620 -0.185,621 0.233,622 -0.199,623 -0.048,624 -0.044,625 0.051,626 0.046,627 -0.064,628 0.068,629 -0.155,630 0.04,631 -0.183,632 -0.035,633 -0.131,634 -0.091,635 -0.051,636 -0.056,637 0.028,638 0.033,639 0.014,640 0.052,641 -0.166,642 -0.034,643 -0.227,644 -0.132,645 -0.152,646 -0.179,647 -0.067,648 -0.036,649 0.114,650 0.1,651 -0.053,652 0.15,653 5.626,654 6.758,655 0.486,656 35.309,657 1.023,658 1.14,659 1.982,660 3.93,661 0.654,662 3.689,663 4.043,664 4.277,665 4.454,666 4.625,667 4.663,668 4.71,669 4.82,670 4.844,671 4.875,672 7.294,673 0.641,674 511.58,675 3.689,676 5.252,677 6.098,678 6.982,679 7.848,680 8.737,681 9.611,682 10.503,683 11.38,684 12.274,685 7.8,686 1,692 3,694 1,699 9,704 3,706 12,720 64,723 18,724 2,725 39,727 66,728 26,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 19,750 7,754 6,759 4,761 1,762 1,763 6,766 2,768 27,769 11,770 3,771 11,775 5,776 1,780 1,781 4,789 3,798 1,800 1,801 2,805 1,807 1,813 3,817 3,819 2,821 37,822 1,828 2,829 1,833 1,834 2,835 1,839 2,840 6.3,843 4,847 21.25,848 12.302,849 8.083,850 3.484,851 2.422,852 1.324,853 0.949,854 8.696,855 9.896,856 3.951,857 4.489,858 4.956,859 5.339,860 5.803,861 5.879,862 6.163,863 6.428,864 6.661,865 6.778,866 1,867 62,868 14.424,870 6.945,871 8.313,872 24.9,874 19.915,877 2.813,878 104.083,882 282.506,883 160.305,884 73.942,886 100.58,887 29.92,889 160.305,890 383.086,891 103.862,892 25.618,893 70.844,894 85.286,895 124.912,896 58.087,897 11.771,898 270.735,900 282.506,901 234.247,902 130.5,905 258.964,906 154.042,908 1.824,909 87.408,910 142.258,911 2.757,913 312.427,914 174.522,915 160.305,918 284.331,919 38.529,920 126.2,921 18.011,922 180.183,923 282.506,924 204.442,925 160.305,927 0.595,928 0.348,929 0.171,930 0.09,931 24,932 14,933 0.136,934 9,936 1,937 4.35,938 355.902,940 18,941 182.75,945 27.854,946 11.551,947 6.535,949 204.442,950 15.217,955 1.892,957 50.908,958 647.253,959 51,964 50.691,966 1.17,967 4.188,968 -5.17,969 65.447,970 72.991,971 0.291,972 0.646,973 0.808,974 0.878,975 0.9,976 0.9,977 5.22,978 1.939,979 6.138,980 6.087,981 4.727,982 5.176,983 3.696,984 7.006,985 4.668,986 6.445,987 1.665,988 7.755,989 5.484,990 4.575,991 5.047,992 3.767,993 8.227,994 4.435,995 7.768,996 1.428,997 9.488,998 4.682,999 6.418,1000 7.259,1001 5.4,1002 11.32,1003 6.272,1004 9.124,1005 1.414,1006 11.291,1007 3.66,1008 7.057,1009 7.859,1010 6.329,1011 13.396,1012 6.815,1013 10.512,1014 1.126,1015 13.144,1016 3.091,1017 8.461,1018 9.617,1019 7.656,1020 16.123,1021 8.193,1022 11.923,1023 1,1024 15.034,1025 2.543,1026 9.438,1027 10.546,1028 8.834,1029 18.527,1030 9.072,1031 13.352,1032 0.835,1033 16.951,1034 2.136,1035 10.707,1036 12.114,1037 10.105,1038 21.158,1039 10.292,1040 3.541,1041 0.509,1042 18.892,1043 2.109,1044 11.831,1045 13.215,1046 11.345,1047 23.687,1048 11.323,1049 3.173,1050 13.691,1051 20.85,1052 1.191,1053 13.065,1054 14.688,1055 12.606,1056 26.295,1057 12.493,1058 2.716,1059 10.975,1060 22.824,1061 3.937,1062 14.254,1063 15.886,1064 13.861,1065 28.872,1066 13.593,1067 2.648,1068 8.482,1069 24.809,1070 3.839,1071 15.484,1072 17.307,1073 15.121,1074 31.478,1075 14.751,1076 2.405,1077 8.244,1078 26.805,1079 3.518,1080 16.703,1081 18.564,1082 16.379,1083 34.074,1084 15.885,1085 2.277,1086 6.819,1087 28.808,1088 3.453,1089 17.939,1090 19.955,1091 17.639,1092 36.682,1093 17.044,1094 2.183,1095 6.484,1096 30.818,1097 2.957,1098 19.173,1099 21.248,1100 18.898,1101 39.287,1102 18.197,1103 17825,1104 32480,1105 24.274,1106 41.858,1107 60.593,1108 62.322,1109 62.065,1110 58.777,1111 58.568,1112 73.846,1113 23.402,1114 173.467,1115 56.904,1116 5.625,1117 6.663,1118 7.511,1119 5.543,1120 5.541,1121 6.937,1122 5.247,1123 22.041,1124 5.292,1125 25.518,1126 1.554,1127 1.598,1128 1.591,1129 1.507,1130 1.502,1131 1.893,1132 0.6,1133 4.448,1134 1.459,1135 4.006,1136 4.041,1137 3.959,1138 3.913,1139 8.363,1140 3.915,1141 3.933,1142 3.963,1143 3.874,1144 3.863,1145 7.999,1146 3.858,1147 3.796,1148 3.829,1149 3.755,1150 3.621,1151 7.436,1152 3.649,1153 3.76,1154 3.798,1155 3.711,1156 3.566,1157 7.425,1158 3.602,1159 3.587,1160 3.647,1161 3.507,1162 3.349,1163 7.423,1164 3.378,1165 3.404,1166 3.455,1167 3.305,1168 3.18,1169 7.411,1170 3.199,1171 3.212,1172 3.286,1173 3.084,1174 3.054,1175 5.077,1176 3.043,1177 3.186,1178 3.257,1179 3.048,1180 2.986,1181 4.788,1182 2.993,1183 0.119,1184 0.12,1185 0.198,1186 0.115,1187 0.091,1188 4.655,1189 0.101,1190 4.663,1191 0.09,1192 7.709,1193 0.351,1194 4.473,1195 0.084,1196 3.541,1197 3.937,1198 3.525,1199 13.691,1200 3.292,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.245,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.023,1211 1.161,1212 2.031,1213 1.711,1214 1.674,1215 1.831,1216 1.91,1217 0.954,1218 1.891,1219 1.657,1220 1.625,1221 1.801,1222 1.883,1223 0.888,1224 1.859,1225 1.506,1226 1.44,1227 1.722,1228 1.761,1229 0.838,1230 1.75,1231 1.322,1232 1.273,1233 1.537,1234 1.579,1235 0.63,1236 1.557,1237 1.214,1238 1.142,1239 1.526,1240 1.424,1241 0.568,1242 1.464,1243 1.135,1244 1.08,1245 1.417,1246 1.394,1247 0.469,1248 1.381,1249 4.369,1251 5.714,1253 7.248,1255 8.867,1257 10.532,1259 4.033,1261 29.516,1263 5.721,1265 -0.942,1266 2.283,1270 -1.749,1271 1.609,1272 -4.376,1273 41.054,1274 111.797,1275 248.194,1276 310.451,1277 336.98,1278 345.735,1279 345.735,1280 149.827,1281 7.474,1282 127.39,1283 127.39,1284 18,1285 12.804,1286 4.248,1287 3.7,1288 76.404,1289 162,1290 146,1291 0.226,1292 255.215,1293 470.1,1294 614.485,1295 17206,1296 3.1,1297 27.328,1298 0.739,1299 0.556,1300 25.535,1301 20.573,1302 17.412,1303 0.446,1304 0.29,1305 11.097,1306 16.61,1307 10.763,1308 8.971,1309 16.651,1310 11.31,1311 16.492,1312 0.295,1313 0.156,1314 15.284,1315 8.746,1316 13.455,1317 0.19,1318 0.078,1319 12.088,1320 5.57,1321 9.903,1322 0.117,1323 0.044,1324 9.129,1325 3.717,1326 7.484,1327 0.074,1328 0.023,1329 7.547,1330 2.348,1331 0.35,1332 110.712,1333 0.203,1334 33.169,1335 0.635,1336 190,1337 749.745,1338 218.767,1339 665.967,1340 859.63,1341 612,1342 222,1343 591.128,1344 252.822,1345 587.96,1346 868.06,1347 547,1348 4.863}
{0 CHEMBL24670,1 1.767,2 14.405,3 2.423,4 5.871,5 147.832,6 8.494,7 0.4,8 4.322,9 4.433,10 3.97,11 3.858,12 5.593,13 3.871,14 4.835,15 4.977,16 4.37,17 4.222,18 6.255,19 4.227,20 5.142,21 5.316,22 4.518,23 4.347,24 6.731,25 4.341,26 5.209,27 5.411,28 4.436,29 4.311,30 6.596,31 4.309,32 5.197,33 5.384,34 4.519,35 4.328,36 6.703,37 4.349,38 5.247,39 5.426,40 4.618,41 4.351,42 6.847,43 4.391,44 5.271,45 5.447,46 4.591,47 4.33,48 6.854,49 4.385,50 5.249,51 5.436,52 4.524,53 4.318,54 6.803,55 4.351,56 0.233,57 1.202,58 10.402,59 5.938,60 41.835,61 6.564,62 0.719,63 2.043,64 20.38,65 9.866,66 103.533,67 11.27,68 1.514,69 2.337,70 33.295,71 13.026,72 261.378,73 15.425,74 1.489,75 2.38,76 39.709,77 13.087,78 250.255,79 15.339,80 1.489,81 2.461,82 37.932,83 13.319,84 254.811,85 14.67,86 1.594,87 2.546,88 39.909,89 13.849,90 259.045,91 15.5,92 1.769,93 2.818,94 41.612,95 13.899,96 286.102,97 13.57,98 1.809,99 2.638,100 42.013,101 13.791,102 322.698,103 14.094,105 65,106 63,107 0.275,108 0.587,109 0.721,110 0.82,111 0.851,112 0.865,113 3.765,114 0.85,115 -4.14,116 -4.09,117 -3.87,120 44.1,122 1,126 2,128 1,131 1,137 1,138 1,140 14,141 3,142 1,151 1,153 4,158 1,159 1,160 1,165 17,167 2,168 2,171 2,173 2,176 18,181 1,182 5,184 3,185 5,187 3,190 10,194 2,195 8,198 1,200 4,203 1,206 3,207 10,210 3,211 1,212 6,217 1,219 1,220 13,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 14,234 1,236 7,239 2,242 2,244 3,245 10,248 1,250 5,253 6,256 1,258 10,260 1,261 1,263 4,266 12,268 1,270 4180,271 27.669,272 27.669,273 27.669,274 27.669,275 27.669,276 24.48,277 26.099,278 16.273,279 28.028,280 22.124,281 22.124,282 22.124,283 22.124,284 22.124,285 17.314,286 26.055,287 7.726,288 22.751,289 4.32,290 2.317,291 1.453,292 0.816,293 0.618,294 0.529,295 4.451,302 1,303 1282,304 5.196,307 661.94,313 1.995,314 91.99,317 0.75,318 0.5,319 0.67,320 0.5,322 0.67,323 0.5,324 0.51,325 95,326 605,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.92,333 3.524,334 13.509,335 3.271,336 4.452,337 3.823,338 6.747,339 4.125,340 3.17,341 3.814,342 1.973,343 10.961,344 3.027,345 4.024,346 3.597,347 5.987,348 3.676,349 2.694,350 3.508,351 1.905,352 8.342,353 2.637,354 3.949,355 3.441,356 5.942,357 3.613,358 2.625,359 3.455,360 1.274,361 8.149,362 2.589,363 3.894,364 3.062,365 5.361,366 3.511,367 2.518,368 3.439,369 1.251,370 6.988,371 2.5,372 3.726,373 2.908,374 5.305,375 3.385,376 2.387,377 2.984,378 0.78,379 6.724,380 2.372,381 3.64,382 2.839,383 5.243,384 3.21,385 2.26,386 2.91,387 0.532,388 6.287,389 2.154,390 3.452,391 2.717,392 5.044,393 3.107,394 2.101,395 2.602,396 0.315,397 5.932,398 2.076,399 3.106,400 2.661,401 4.854,402 2.698,403 1.74,404 2.166,405 0.155,406 4.969,407 1.652,408 2.975,409 2.142,410 4.569,411 2.601,412 1.63,413 2.115,415 4.246,416 1.571,417 2.939,418 2,419 4.253,420 2.465,421 1.459,422 2.059,424 3.744,425 1.466,426 2.903,427 1.963,428 3.76,429 2.37,430 1.414,431 2.007,433 3.121,434 1.34,435 2.707,436 1.646,437 3.603,438 2.327,439 1.348,440 1.692,442 3.014,443 1.3,444 2.5,445 1.492,446 3.51,447 2,448 1,449 1.5,451 2.275,452 1,453 2.5,454 1.486,455 3.414,456 2,457 1,458 1.5,460 2.136,461 1,462 19.19,463 0.457,464 1.201,465 0.029,466 53.75,467 1.28,468 27,469 0.643,470 26.75,471 0.637,472 38.166,473 0.909,474 45.61,475 0.671,476 56.707,477 1.35,478 11.507,479 0.274,480 8.55,481 0.204,482 0.135,483 0.026,484 0.307,486 2,488 1,490 0.613,491 1.022,492 0.668,493 0.995,494 0.584,495 0.88,496 0.612,497 1.068,498 0.772,499 1.118,500 0.612,501 1.035,502 0.704,503 0.976,504 0.9,505 1.092,506 0.76,507 1.084,508 1.109,509 0.953,510 1.057,511 0.94,512 1.125,513 0.962,514 1.202,515 1.077,516 1.03,517 0.982,518 1.192,519 0.942,520 1.127,521 1.04,522 0.874,523 0.976,524 1.168,525 0.876,526 1.677,527 1.281,528 1.206,529 1.015,530 1.691,531 0.952,532 1.534,533 1.154,534 1.175,535 0.902,536 1.546,537 0.898,538 9.5,539 0.438,540 5.778,541 3.125,542 2.689,543 2.049,544 1.505,545 1.031,546 0.842,547 0.636,548 28057,549 94868,550 2.001,551 38.2,553 19,554 1,556 4,558 2,560 1.818,561 1.846,562 3.744,563 1.438,569 120.165,570 1.767,571 3.77,572 4.634,573 5.271,574 5.47,575 5.558,576 3.219,577 4.916,578 5.362,579 3.941,580 3392.85,581 9.525,582 60709.3,587 413.947,588 1.6,589 5.302,590 0.211,591 0.007,592 0.092,593 0.046,594 0.043,595 0.03,596 0.02,597 0.014,598 0.012,599 0.009,600 0.484,601 0.17,602 0.75,603 0.584,604 239.176,605 -0.06,606 -0.044,607 0.005,608 0.023,609 -0.071,610 0.04,611 0.123,612 -0.046,613 0.017,614 -0.117,615 0.071,616 -0.101,617 0.236,618 -0.004,619 0.025,620 -0.118,621 0.18,622 -0.134,623 -0.087,624 -0.018,625 -0.054,626 0.003,627 -0.1,628 -0.007,629 -0.075,630 -0.023,631 -0.036,632 -0.02,633 -0.059,634 -0.008,635 0.009,636 -0.096,637 0.128,638 -0.021,639 0.03,640 0.061,641 -0.25,642 -0.08,643 -0.158,644 -0.049,645 -0.219,646 -0.059,647 -0.199,648 -0.024,649 -0.124,650 0.06,651 -0.17,652 0.018,653 5.74,654 7.154,655 0.571,656 50.907,657 1.029,658 1.137,659 2.914,660 8.494,661 0.673,662 3.829,663 4.159,664 4.394,665 4.564,666 4.779,667 4.804,668 4.86,669 4.949,670 5.037,671 5.043,672 8.416,673 0.668,674 577.61,675 3.829,676 5.38,677 6.221,678 7.091,679 7.951,680 8.827,681 9.695,682 10.576,683 11.448,684 12.331,685 7.4,686 1,692 3,694 1,699 14,704 4,706 18,719 1,720 68,723 24,724 3,725 45,727 71,728 30,729 18,730 4,731 14,732 4,735 4,736 4,743 1,748 3,749 25,750 5,754 6,759 4,761 1,762 1,763 6,766 3,768 26,769 12,770 4,771 12,775 5,776 1,780 1,781 4,789 4,798 1,800 2,801 1,805 1,807 1,813 4,819 3,821 42,822 1,828 3,829 2,833 1,834 1,835 1,839 3,840 5.9,843 4,847 22.75,848 11.912,849 9.222,850 3.743,851 2.594,852 1.332,853 0.978,854 9.691,855 10.404,856 4.111,857 4.649,858 5.122,859 5.524,860 6.009,861 6.039,862 6.285,863 6.555,864 6.817,865 6.916,866 0.9,867 68,868 16.399,870 8.003,871 8.351,872 28.184,874 22.827,877 2.851,878 119.75,882 258.964,883 193.295,884 88.829,886 100.58,887 44.88,889 193.295,890 359.544,891 133.709,893 87.836,894 132.667,895 124.912,896 67.208,897 26.731,898 247.193,900 258.964,901 282.123,902 145.46,905 250.382,906 154.042,908 1.824,909 95.574,910 181.968,911 2.757,913 303.845,914 189.408,915 193.295,918 260.788,919 49.756,920 144.839,921 36.022,922 195.143,923 258.964,924 234.289,925 193.295,927 0.587,928 0.342,929 0.167,930 0.093,931 27,932 14,933 0.155,934 11,936 1,937 4.904,938 421.817,940 24,941 212.477,945 30.389,946 13.394,947 7.595,949 234.289,950 21.262,955 0.712,957 68.919,958 686.548,959 60,964 51.468,966 1.075,967 4.078,968 -5.799,969 69.96,970 77.331,971 0.29,972 0.619,973 0.761,974 0.866,975 0.899,976 0.913,977 5.359,978 2.101,979 6.232,980 6.287,981 4.844,982 5.338,983 3.694,984 7.067,985 4.786,986 6.569,987 1.74,988 7.823,989 5.932,990 4.575,991 5.094,992 3.758,993 8.228,994 4.433,995 7.879,996 1.63,997 9.53,998 4.969,999 6.497,1000 7.418,1001 5.396,1002 11.308,1003 6.355,1004 9.222,1005 1.459,1006 11.313,1007 4.246,1008 7.057,1009 7.92,1010 6.325,1011 13.361,1012 6.814,1013 10.597,1014 1.414,1015 13.149,1016 3.744,1017 8.496,1018 9.757,1019 7.653,1020 16.065,1021 8.236,1022 11.995,1023 1.348,1024 15.024,1025 3.121,1026 9.426,1027 10.605,1028 8.832,1029 18.455,1030 9.06,1031 13.412,1032 1,1033 16.93,1034 3.014,1035 10.705,1036 12.228,1037 10.102,1038 21.068,1039 10.298,1040 3.517,1041 1,1042 18.86,1043 2.275,1044 11.801,1045 13.263,1046 11.342,1047 23.582,1048 11.296,1049 3.17,1050 13.509,1051 20.81,1052 2.136,1053 13.033,1054 14.771,1055 12.603,1056 26.174,1057 12.468,1058 2.694,1059 10.961,1060 22.776,1061 3.92,1062 14.205,1063 15.917,1064 13.858,1065 28.737,1066 13.548,1067 2.625,1068 8.342,1069 24.755,1070 3.814,1071 15.429,1072 17.359,1073 15.118,1074 31.327,1075 14.702,1076 2.518,1077 8.149,1078 26.744,1079 3.508,1080 16.636,1081 18.575,1082 16.376,1083 33.909,1084 15.823,1085 2.387,1086 6.988,1087 28.741,1088 3.455,1089 17.864,1090 19.977,1091 17.635,1092 36.502,1093 16.975,1094 2.26,1095 6.724,1096 30.745,1097 3.439,1098 19.089,1099 21.239,1100 18.895,1101 39.094,1102 18.117,1103 27011,1104 49899,1105 29.126,1106 45.796,1107 68.77,1108 70.236,1109 69.495,1110 67.218,1111 66.98,1112 86.449,1113 23.419,1114 193.077,1115 65.093,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.92,1122 5.246,1123 21.66,1124 5.271,1125 24.637,1126 1.528,1127 1.561,1128 1.544,1129 1.494,1130 1.488,1131 1.921,1132 0.52,1133 4.291,1134 1.447,1135 4.007,1136 4.042,1137 3.962,1138 3.906,1139 8.363,1140 3.909,1141 3.935,1142 3.966,1143 3.882,1144 3.855,1145 8.201,1146 3.855,1147 3.904,1148 3.937,1149 3.829,1150 3.842,1151 7.999,1152 3.834,1153 3.777,1154 3.809,1155 3.734,1156 3.607,1157 7.436,1158 3.635,1159 3.737,1160 3.764,1161 3.705,1162 3.548,1163 7.426,1164 3.583,1165 3.54,1166 3.586,1167 3.481,1168 3.296,1169 7.423,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.15,1175 7.411,1176 3.162,1177 3.167,1178 3.234,1179 3.059,1180 2.988,1181 5.076,1182 2.99,1183 0.103,1184 0.103,1185 0.17,1186 0.099,1187 0.078,1188 4.631,1189 0.087,1190 4.65,1191 0.078,1192 7.668,1193 0.3,1194 4.449,1195 0.073,1196 3.517,1197 3.92,1198 3.524,1199 13.509,1200 3.271,1201 1.93,1202 1.901,1203 2.057,1204 2.054,1205 1.245,1206 2.043,1207 1.917,1208 1.89,1209 2.04,1210 2.023,1211 1.151,1212 2.023,1213 1.91,1214 1.88,1215 2.005,1216 2,1217 1.099,1218 2.015,1219 1.695,1220 1.66,1221 1.808,1222 1.885,1223 0.94,1224 1.867,1225 1.632,1226 1.606,1227 1.738,1228 1.841,1229 0.859,1230 1.807,1231 1.423,1232 1.379,1233 1.591,1234 1.695,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.52,1240 1.528,1241 0.591,1242 1.526,1243 1.12,1244 1.068,1245 1.307,1246 1.357,1247 0.411,1248 1.348,1249 4.511,1251 5.838,1253 7.357,1255 8.96,1257 10.606,1261 43.755,1263 5.695,1265 -1.356,1266 4.305,1270 -1.837,1271 0.882,1272 -4.49,1273 45.438,1274 120.165,1275 256.39,1276 315.135,1277 358.438,1278 371.947,1279 377.947,1280 162.796,1281 7.81,1282 136.18,1283 136.18,1284 24,1285 12.868,1286 4.644,1287 4,1288 78.558,1289 204,1290 242,1291 0.175,1292 278.607,1293 514.19,1294 671.561,1295 27721,1296 4.4,1297 30.277,1298 0.721,1299 0.526,1300 27.614,1301 22.098,1302 20.057,1303 0.446,1304 0.283,1305 12.527,1306 19.181,1307 12.348,1308 10.175,1309 18.902,1310 12.749,1311 18.43,1312 0.293,1313 0.148,1314 16.615,1315 9.352,1316 15.368,1317 0.192,1318 0.079,1319 13.445,1320 6.303,1321 11.256,1322 0.118,1323 0.044,1324 10.712,1325 4.146,1326 9.113,1327 0.077,1328 0.023,1329 8.785,1330 2.742,1331 0.275,1332 127.158,1333 0.185,1334 37.188,1335 0.483,1336 216,1337 888.544,1338 248.57,1339 774.971,1340 999.76,1341 714,1342 251,1343 686.038,1344 284.067,1345 674.39,1346 995.29,1347 633,1348 5.484}
{0 CHEMBL24697,1 1.684,2 13.7,3 2.905,4 8.44,5 146.518,6 7.585,7 0.286,8 4.363,9 4.49,10 3.912,11 3.865,12 5.538,13 3.854,14 4.909,15 5.086,16 4.299,17 4.232,18 6.2,19 4.204,20 5.208,21 5.411,22 4.463,23 4.371,24 6.689,25 4.331,26 5.281,27 5.507,28 4.418,29 4.362,30 6.575,31 4.33,32 5.269,33 5.471,34 4.501,35 4.371,36 6.705,37 4.367,38 5.323,39 5.529,40 4.56,41 4.389,42 6.807,43 4.402,44 5.317,45 5.501,46 4.525,47 4.393,48 6.799,49 4.402,50 5.345,51 5.558,52 4.469,53 4.377,54 6.753,55 4.368,56 0.134,57 1.19,58 14.256,59 6.584,60 29.062,61 8.427,62 0.625,63 1.999,64 28.06,65 10.949,66 96.271,67 14.525,68 1.377,69 2.246,70 41.384,71 13.831,72 240.705,73 18.941,74 1.229,75 2.359,76 46.584,77 13.898,78 206.506,79 18.981,80 1.279,81 2.498,82 45.171,83 14.088,84 228.498,85 17.734,86 1.438,87 2.541,88 48.595,89 14.026,90 248.323,91 17.837,92 1.426,93 2.669,94 47.561,95 14.375,96 236.094,97 17.042,98 1.445,99 2.564,100 50.659,101 14.755,102 255.648,103 18.445,105 90,106 58,107 0.261,108 0.597,109 0.79,110 0.871,111 0.889,112 0.889,113 3.718,114 0.929,115 -3.8,116 -3.76,117 -3.57,120 39.7,121 2,122 4,126 2,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 4,158 1,159 1,160 1,165 17,167 2,168 2,171 2,173 2,176 18,181 1,182 5,184 3,185 5,187 2,190 11,194 2,195 8,198 1,200 3,203 2,206 3,207 13,210 3,211 1,212 6,217 1,219 1,220 12,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 15,234 1,236 7,239 2,242 2,244 3,245 11,248 1,250 8,253 5,256 3,258 10,260 1,261 1,263 3,266 10,268 1,270 3596,271 26.23,272 26.23,273 26.23,274 26.23,275 26.23,276 23.792,277 25.09,278 15.677,279 26.535,280 20.624,281 20.624,282 20.624,283 20.624,284 20.624,285 16.846,286 22.868,287 7.396,288 21.135,289 4.506,290 2.345,291 1.1,292 0.579,293 0.459,294 0.459,295 4.392,302 1,303 1132,304 5.431,307 463.051,313 2.1,314 80.422,317 0.75,318 0.5,319 0.67,320 0.9,321 1,322 0.67,323 0.5,324 0.71,325 89.5,326 548,327 4.63,328 4.65,329 7.668,330 4.448,331 3.517,332 3.937,333 3.524,334 13.509,335 3.27,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 1.973,343 10.975,344 3.034,345 4.042,346 3.596,347 5.987,348 3.677,349 2.694,350 3.518,351 1.904,352 8.35,353 2.649,354 3.945,355 3.439,356 5.958,357 3.642,358 2.646,359 3.451,360 1.269,361 8.231,362 2.622,363 3.727,364 3.054,365 5.32,366 3.388,367 2.39,368 2.938,369 1.25,370 6.735,371 2.376,372 3.594,373 2.889,374 5.275,375 3.208,376 2.22,377 2.879,378 0.78,379 6.36,380 2.191,381 3.454,382 2.676,383 5.05,384 3.111,385 2.1,386 2.602,387 0.316,388 5.859,389 2.113,390 3.101,391 2.544,392 4.812,393 2.802,394 1.841,395 2.15,396 0.159,397 4.885,398 1.767,399 2.966,400 2.142,401 4.567,402 2.655,403 1.68,404 2.093,405 0.084,406 4.345,407 1.626,408 2.915,409 1.988,410 4.21,411 2.535,412 1.538,413 2.01,415 3.659,416 1.524,417 2.809,418 1.849,419 3.828,420 2.389,421 1.414,422 1.828,424 3.227,425 1.372,426 2.641,427 1.837,428 3.616,429 2.365,430 1.387,431 1.643,433 3.02,434 1.338,435 2.609,436 1.491,437 3.502,438 2.118,439 1.126,440 1.608,442 2.542,443 1.114,444 2.5,445 1.475,446 3.475,447 2,448 1,449 1.5,451 2.136,452 1,453 2.176,454 1.296,455 3.247,456 1.942,457 0.933,458 1.025,460 1.909,461 0.935,462 18.405,463 0.46,464 1.133,465 0.028,466 46,467 1.15,468 21,469 0.525,470 25,471 0.625,472 41.78,473 1.045,474 45.195,475 0.619,476 48.143,477 1.204,478 9.386,479 0.235,480 9.653,481 0.241,482 0.18,483 0.027,484 0.293,486 2,490 0.625,491 1.175,492 0.767,493 1.131,494 0.585,495 1.008,496 0.577,497 1.117,498 0.783,499 1.131,500 0.576,501 1.035,502 0.619,503 0.963,504 0.831,505 1.051,506 0.682,507 1.015,508 1.095,509 0.986,510 0.947,511 0.913,512 1.116,513 0.891,514 1.34,515 1.247,516 1.038,517 1.034,518 1.338,519 0.965,520 1.405,521 1.11,522 0.981,523 0.878,524 1.369,525 0.818,526 1.761,527 1.33,528 1.264,529 1.099,530 1.804,531 1.056,532 1.578,533 1.157,534 1.122,535 0.913,536 1.608,537 0.899,538 9,539 0.405,540 5.333,541 3.313,542 2.618,543 1.903,544 1.363,545 0.972,546 0.727,547 0.584,548 22944,549 67548,550 1.946,551 45.2,552 10,553 14,554 1,556 4,558 4,560 1.808,561 1.784,562 3.673,563 1.456,569 122.901,570 1.684,571 3.844,572 5.09,573 5.611,574 5.731,575 5.731,576 3.203,577 4.953,578 5.291,579 3.878,580 3024.49,581 9.386,582 52167.3,587 451.857,588 1.64,589 5.222,590 0.214,591 0.007,592 0.092,593 0.052,594 0.042,595 0.028,596 0.019,597 0.015,598 0.011,599 0.009,600 0.49,601 0.17,602 0.75,603 1.682,604 224.23,605 -0.053,606 -0.071,607 0.011,608 -0.002,609 -0.065,610 0.02,611 0.182,612 -0.029,613 0.093,614 -0.07,615 0.114,616 -0.028,617 0.335,618 0.033,619 0.124,620 -0.056,621 0.261,622 -0.038,623 -0.015,624 -0.001,625 0.057,626 0.043,627 -0.042,628 0.064,629 -0.04,630 -0.062,631 -0.015,632 -0.05,633 -0.04,634 -0.028,635 -0.066,636 -0.019,637 0.061,638 0.069,639 -0.004,640 0.099,641 -0.213,642 -0.054,643 -0.208,644 -0.111,645 -0.202,646 -0.146,647 -0.185,648 -0.053,649 -0.063,650 0.041,651 -0.157,652 0.026,653 5.638,654 6.996,655 0.45,656 46.19,657 1.015,658 1.14,659 2.569,660 6.599,661 0.646,662 3.761,663 4.078,664 4.304,665 4.477,666 4.673,667 4.718,668 4.771,669 4.86,670 4.898,671 4.927,672 8.086,673 0.625,674 553.67,675 3.761,676 5.303,677 6.138,678 7.008,679 7.867,680 8.746,681 9.615,682 10.499,683 11.374,684 12.262,685 6.8,686 1,692 3,694 1,699 9,704 3,706 12,720 73,723 18,724 2,725 42,727 75,728 29,729 12,730 3,731 9,732 4,735 3,736 3,741 2,743 1,748 6,749 19,750 10,754 6,759 4,761 1,762 1,763 6,766 2,768 33,769 11,770 4,771 11,775 5,776 1,780 1,781 4,789 3,798 1,800 2,801 1,805 1,807 1,813 3,817 2,819 2,821 40,822 1,828 6,829 2,833 1,834 1,835 1,839 2,840 5.5,843 4,847 22.417,848 13.352,849 8.972,850 4.471,851 2.36,852 1.311,853 0.947,854 10.834,855 9.946,856 4.007,857 4.511,858 4.963,859 5.353,860 5.818,861 5.902,862 6.181,863 6.434,864 6.67,865 6.785,866 1,867 64,868 15.598,870 7.406,871 8.215,872 27.384,874 21.951,877 2.715,878 108.583,882 341.362,883 162.046,884 88.829,886 100.58,887 29.92,889 162.046,890 441.942,891 118.749,892 17.65,893 95.44,894 85.286,895 124.912,896 58.087,897 11.771,898 329.591,900 341.362,901 250.875,902 130.5,905 294.278,906 177.584,908 1.824,909 120.828,910 125.466,911 2.757,913 371.282,914 189.408,915 162.046,918 343.186,919 48.238,920 115.108,921 36.022,922 180.183,923 341.362,924 219.328,925 162.046,927 0.579,928 0.336,929 0.166,930 0.091,931 23,932 13,933 0.173,934 13,936 1,937 4.673,938 386.961,940 18,941 202.877,945 30.809,946 14.066,947 8.144,949 219.328,950 15.289,955 1.903,957 68.919,958 722.737,959 54,964 51.263,966 1.176,967 4.208,968 -5.164,969 74.098,970 83.237,971 0.272,972 0.621,973 0.822,974 0.906,975 0.926,976 0.926,977 5.257,978 1.841,979 6.151,980 5.859,981 4.762,982 5.198,983 3.68,984 6.993,985 4.71,986 6.459,987 1.68,988 7.746,989 4.885,990 4.511,991 5.007,992 3.758,993 8.184,994 4.381,995 7.77,996 1.538,997 9.463,998 4.345,999 6.418,1000 7.257,1001 5.394,1002 11.274,1003 6.282,1004 9.115,1005 1.414,1006 11.256,1007 3.659,1008 7.004,1009 7.828,1010 6.325,1011 13.344,1012 6.769,1013 10.496,1014 1.387,1015 13.102,1016 3.227,1017 8.436,1018 9.602,1019 7.653,1020 16.055,1021 8.176,1022 11.901,1023 1.126,1024 14.987,1025 3.02,1026 9.389,1027 10.518,1028 8.832,1029 18.451,1030 9.028,1031 13.326,1032 1,1033 16.902,1034 2.542,1035 10.667,1036 12.094,1037 10.102,1038 21.066,1039 10.258,1040 3.517,1041 0.933,1042 18.839,1043 2.136,1044 11.779,1045 13.187,1046 11.342,1047 23.582,1048 11.275,1049 3.173,1050 13.509,1051 20.795,1052 1.909,1053 13.012,1054 14.663,1055 12.603,1056 26.175,1057 12.445,1058 2.694,1059 10.975,1060 22.765,1061 3.937,1062 14.193,1063 15.856,1064 13.858,1065 28.738,1066 13.537,1067 2.646,1068 8.35,1069 24.747,1070 3.813,1071 15.419,1072 17.278,1073 15.117,1074 31.328,1075 14.692,1076 2.39,1077 8.231,1078 26.738,1079 3.518,1080 16.63,1081 18.531,1082 16.376,1083 33.91,1084 15.819,1085 2.22,1086 6.735,1087 28.737,1088 3.451,1089 17.859,1090 19.922,1091 17.635,1092 36.503,1093 16.973,1094 2.1,1095 6.36,1096 30.743,1097 2.938,1098 19.086,1099 21.211,1100 18.895,1101 39.094,1102 18.118,1103 22849,1104 39485,1105 26.641,1106 47.142,1107 63.275,1108 65.047,1109 65.034,1110 61.765,1111 61.605,1112 76.882,1113 22.519,1114 176.752,1115 60.104,1116 5.607,1117 6.65,1118 7.604,1119 5.518,1120 5.517,1121 6.937,1122 5.246,1123 21.658,1124 5.27,1125 25.62,1126 1.507,1127 1.549,1128 1.548,1129 1.471,1130 1.467,1131 1.831,1132 0.536,1133 4.208,1134 1.431,1135 4.008,1136 4.043,1137 3.959,1138 3.914,1139 8.363,1140 3.916,1141 3.933,1142 3.964,1143 3.873,1144 3.863,1145 7.999,1146 3.858,1147 3.802,1148 3.843,1149 3.752,1150 3.633,1151 7.436,1152 3.654,1153 3.767,1154 3.811,1155 3.711,1156 3.596,1157 7.426,1158 3.613,1159 3.691,1160 3.739,1161 3.552,1162 3.529,1163 7.423,1164 3.535,1165 3.533,1166 3.584,1167 3.455,1168 3.295,1169 7.411,1170 3.327,1171 3.37,1172 3.435,1173 3.24,1174 3.168,1175 5.077,1176 3.173,1177 3.236,1178 3.307,1179 3.078,1180 3.058,1181 4.788,1182 3.049,1183 0.11,1184 0.111,1185 0.183,1186 0.106,1187 0.084,1188 4.63,1189 0.094,1190 4.65,1191 0.084,1192 7.668,1193 0.322,1194 4.448,1195 0.078,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.27,1201 1.945,1202 1.918,1203 2.058,1204 2.059,1205 1.315,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.023,1211 1.244,1212 2.031,1213 1.747,1214 1.69,1215 2.004,1216 1.939,1217 1.161,1218 1.957,1219 1.706,1220 1.664,1221 1.822,1222 1.895,1223 0.953,1224 1.884,1225 1.629,1226 1.597,1227 1.756,1228 1.835,1229 0.921,1230 1.813,1231 1.442,1232 1.385,1233 1.707,1234 1.706,1235 0.873,1236 1.698,1237 1.326,1238 1.268,1239 1.537,1240 1.571,1241 0.63,1242 1.565,1243 1.216,1244 1.149,1245 1.53,1246 1.444,1247 0.568,1248 1.466,1249 4.443,1251 5.759,1253 7.269,1255 8.87,1257 10.522,1259 3.768,1261 29.992,1263 5.749,1265 1.108,1266 4.415,1270 -1.751,1271 1.016,1272 -4.388,1273 45.635,1274 122.901,1275 280.643,1276 371.553,1277 409.593,1278 418.347,1279 418.347,1280 172.1,1281 7.586,1282 136.18,1283 136.18,1284 18,1285 12.796,1286 4.248,1287 3.7,1288 86.707,1289 188,1290 254,1291 0.214,1292 283.992,1293 522,1294 684.701,1295 20188,1296 2.7,1297 29.286,1298 0.732,1299 0.561,1300 27.493,1301 22.454,1302 19.039,1303 0.453,1304 0.31,1305 12.807,1306 18.278,1307 12.512,1308 10.439,1309 18.278,1310 13.002,1311 17.21,1312 0.297,1313 0.164,1314 16.017,1315 9.509,1316 14.043,1317 0.192,1318 0.086,1319 12.531,1320 6.247,1321 10.328,1322 0.119,1323 0.047,1324 9.943,1325 4.13,1326 8.088,1327 0.076,1328 0.025,1329 7.938,1330 2.632,1331 0.335,1332 120.186,1333 0.194,1334 35.663,1335 0.594,1336 200,1337 754.433,1338 228.739,1339 671.047,1340 868.85,1341 618,1342 231,1343 598.705,1344 260.99,1345 592.228,1346 876.28,1347 555,1348 6.346}
{0 CHEMBL24707,1 1.725,2 14.659,3 1.517,4 2.3,5 158.036,6 7.804,7 0.255,8 4.446,9 4.568,10 4.024,11 3.94,12 5.624,13 3.94,14 5.005,15 5.178,16 4.425,17 4.327,18 6.294,19 4.31,20 5.317,21 5.515,22 4.58,23 4.482,24 6.786,25 4.448,26 5.388,27 5.606,28 4.517,29 4.457,30 6.694,31 4.429,32 5.358,33 5.56,34 4.592,35 4.437,36 6.829,37 4.439,38 5.381,39 5.584,40 4.665,41 4.446,42 6.942,43 4.463,44 5.373,45 5.555,46 4.634,47 4.452,48 6.882,49 4.471,50 5.419,51 5.625,52 4.603,53 4.437,54 6.867,55 4.454,56 0.183,57 1.292,58 14.624,59 6.863,60 34.434,61 8.648,62 0.771,63 2.187,64 29.754,65 11.455,66 102.836,67 15.086,68 1.597,69 2.483,70 44.926,71 15.148,72 261.612,73 20.358,74 1.49,75 2.558,76 51.208,77 15.339,78 248.599,79 20.469,80 1.621,81 2.651,82 49.008,83 14.988,84 278.522,85 18.78,86 1.838,87 2.633,88 50.568,89 14.504,90 294.205,91 18.904,92 1.619,93 2.801,94 48.803,95 15.05,96 260.938,97 17.872,98 1.787,99 2.879,100 54.231,101 15.875,102 306.635,103 18.638,105 82,106 66,107 0.263,108 0.593,109 0.774,110 0.854,111 0.871,112 0.871,113 3.81,114 0.907,115 -3.06,116 -3.06,117 -2.94,120 39.7,121 1,122 4,126 4,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,165 16,167 3,168 4,171 2,173 1,176 17,181 1,182 6,184 3,185 7,187 1,190 10,194 2,195 9,198 1,200 2,203 2,206 5,207 13,210 3,211 1,212 7,217 1,219 1,220 10,222 1,223 1,224 1,225 7,226 1,229 2,230 3,231 15,234 1,236 6,239 1,242 2,244 3,245 13,248 3,250 7,253 3,256 3,258 12,260 1,261 1,263 2,266 6,268 1,270 4800,271 28.876,272 28.876,273 28.876,274 28.876,275 28.876,276 26.308,277 30.318,278 16.948,279 29.258,280 23.102,281 23.102,282 23.102,283 23.102,284 23.102,285 19.052,286 27.805,287 8.018,288 23.725,289 4.56,290 2.401,291 1.209,292 0.686,293 0.574,294 0.574,295 4.495,303 1364,304 5.477,307 702.011,313 2.265,314 93.372,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 99,326 645,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.814,342 1.991,343 10.975,344 3.034,345 4.042,346 3.727,347 6.025,348 3.747,349 2.786,350 3.518,351 1.971,352 8.548,353 2.676,354 3.959,355 3.594,356 5.981,357 3.672,358 2.69,359 3.451,360 1.901,361 8.344,362 2.644,363 3.931,364 3.434,365 5.958,366 3.641,367 2.645,368 3.104,369 1.268,370 8.23,371 2.613,372 3.726,373 3.054,374 5.319,375 3.387,376 2.389,377 2.936,378 1.25,379 6.735,380 2.375,381 3.594,382 2.885,383 5.275,384 3.207,385 2.219,386 2.877,387 0.78,388 6.36,389 2.188,390 3.447,391 2.676,392 5.05,393 3.106,394 2.094,395 2.594,396 0.597,397 5.859,398 2.108,399 3.1,400 2.544,401 4.814,402 2.847,403 1.863,404 2.149,405 0.316,406 4.906,407 1.829,408 2.985,409 2.389,410 4.576,411 2.668,412 1.694,413 2.092,414 0.163,415 4.503,416 1.635,417 2.918,418 2.142,419 4.282,420 2.553,421 1.566,422 2.01,423 0.129,424 3.863,425 1.535,426 2.914,427 1.988,428 4.21,429 2.389,430 1.414,431 1.949,433 3.658,434 1.372,435 2.713,436 1.849,437 3.716,438 2.369,439 1.393,440 1.692,442 3.056,443 1.341,444 2.61,445 1.491,446 3.55,447 2.119,448 1.127,449 1.637,451 2.582,452 1.115,453 2.5,454 1.475,455 3.48,456 2.081,457 1.089,458 1.5,460 2.541,461 1.07,462 20.138,463 0.458,464 1.291,465 0.029,466 51,467 1.159,468 22.5,469 0.511,470 28.5,471 0.648,472 46.489,473 1.057,474 49.462,475 0.634,476 55.426,477 1.26,478 10.497,479 0.239,480 10.47,481 0.238,482 0.156,483 0.025,484 0.313,486 2,490 0.63,491 1.226,492 0.734,493 1.138,494 0.568,495 0.992,496 0.599,497 1.113,498 0.793,499 1.103,500 0.567,501 1.019,502 0.661,503 0.943,504 0.886,505 1.066,506 0.713,507 1.05,508 1.135,509 0.995,510 1.002,511 0.955,512 1.165,513 0.943,514 1.277,515 1.205,516 1.024,517 1.006,518 1.275,519 0.95,520 1.123,521 1.011,522 0.878,523 0.879,524 1.113,525 0.816,526 1.532,527 1.311,528 1.138,529 1.094,530 1.582,531 1.021,532 1.702,533 1.276,534 1.138,535 0.921,536 1.749,537 0.88,538 10,539 0.488,540 6.222,541 3.625,542 2.729,543 2.111,544 1.505,545 1.132,546 0.863,547 0.7,548 31903,549 94094,550 1.988,551 43.6,552 5,553 18,554 1,556 4,558 6,560 1.829,561 1.827,562 3.785,563 1.422,569 134.588,570 1.725,571 3.884,572 5.076,573 5.599,574 5.712,575 5.712,576 3.257,577 5.124,578 5.43,579 4.005,580 3789.17,581 9.656,582 70336.9,587 490.261,588 1.621,589 5.365,590 0.213,591 0.007,592 0.094,593 0.05,594 0.04,595 0.029,596 0.019,597 0.015,598 0.012,599 0.01,600 0.489,601 0.17,602 0.63,603 0.592,604 254.404,605 -0.057,606 -0.114,607 0.019,608 -0.022,609 -0.053,610 0.015,611 0.152,612 -0.017,613 0.068,614 -0.058,615 0.098,616 -0.03,617 0.274,618 0.052,619 0.059,620 -0.071,621 0.21,622 -0.077,623 -0.061,624 -0.029,625 0.002,626 0.006,627 -0.075,628 0.019,629 -0.016,630 -0.054,631 -0.002,632 -0.03,633 -0.011,634 -0.012,635 0.106,636 0.026,637 0.146,638 0.066,639 0.139,640 0.111,641 -0.123,642 -0.101,643 -0.108,644 -0.107,645 -0.121,646 -0.102,647 -0.208,648 -0.042,649 -0.057,650 0.05,651 -0.208,652 0.042,653 5.822,654 7.254,655 0.545,656 56.05,657 1.02,658 1.14,659 1.829,660 3.344,661 0.649,662 3.871,663 4.205,664 4.443,665 4.615,666 4.812,667 4.836,668 4.89,669 4.97,670 5.024,671 5.075,672 8.773,673 0.633,674 608.71,675 3.871,676 5.425,677 6.267,678 7.14,679 8.001,680 8.878,681 9.746,682 10.627,683 11.499,684 12.383,685 7.7,686 1,692 4,694 1,699 9,704 3,706 12,720 78,723 19,724 2,725 47,727 81,728 31,729 12,730 3,731 9,732 4,735 4,736 4,741 1,743 1,745 3,748 6,749 20,750 11,754 7,759 5,761 1,762 1,763 7,766 2,768 34,769 13,770 4,771 13,775 6,776 1,780 1,781 5,789 4,798 1,800 2,801 2,805 1,807 1,813 4,817 1,819 2,821 44,822 1,828 8,829 2,833 1,834 2,835 1,839 2,840 6.4,843 5,847 24.083,848 13.969,849 9.667,850 4.638,851 2.226,852 1.283,853 0.96,854 10.881,855 10.098,856 4.111,857 4.615,858 5.056,859 5.426,860 5.881,861 5.955,862 6.226,863 6.466,864 6.699,865 6.823,866 0.9,867 72,868 17.271,870 8.41,871 8.233,872 30.17,874 24.668,877 2.733,878 120.25,882 353.133,883 162.137,884 91.953,886 125.725,887 29.92,889 162.137,890 478.858,891 121.873,892 8.825,893 102.776,894 85.286,895 154.761,896 58.087,897 11.771,898 341.362,900 353.133,901 254.09,902 155.645,905 282.506,906 226.271,908 1.824,909 119.339,910 130.17,911 2.757,913 383.053,914 217.677,915 162.137,918 354.957,919 57.154,920 109.407,921 36.022,922 205.328,923 353.133,924 247.598,925 162.137,927 0.588,928 0.344,929 0.17,930 0.093,931 28,932 15,933 0.136,934 11,936 1,937 5.022,938 448.996,940 24,941 228.215,945 32.815,946 14.589,947 8.307,949 247.598,950 15.068,955 1.802,957 68.919,958 762.868,959 60,964 64.214,966 1.158,967 4.203,968 -6.168,969 79.527,970 88.944,971 0.275,972 0.618,973 0.808,974 0.891,975 0.909,976 0.909,977 5.375,978 2.094,979 6.282,980 6.36,981 4.89,982 5.303,983 3.848,984 7.122,985 4.835,986 6.574,987 1.863,988 7.877,989 5.859,990 4.635,991 5.121,992 3.854,993 8.28,994 4.509,995 7.884,996 1.694,997 9.587,998 4.906,999 6.547,1000 7.343,1001 5.485,1002 11.362,1003 6.406,1004 9.227,1005 1.566,1006 11.372,1007 4.503,1008 7.116,1009 7.919,1010 6.366,1011 13.401,1012 6.885,1013 10.603,1014 1.414,1015 13.207,1016 3.863,1017 8.549,1018 9.669,1019 7.687,1020 16.102,1021 8.289,1022 12.002,1023 1.393,1024 15.08,1025 3.658,1026 9.481,1027 10.585,1028 8.847,1029 18.48,1030 9.126,1031 13.421,1032 1.127,1033 16.982,1034 3.056,1035 10.754,1036 12.144,1037 10.113,1038 21.088,1039 10.351,1040 3.517,1041 1.089,1042 18.908,1043 2.582,1044 11.849,1045 13.234,1046 11.348,1047 23.596,1048 11.354,1049 3.173,1050 13.509,1051 20.853,1052 2.541,1053 13.076,1054 14.699,1055 12.607,1056 26.184,1057 12.518,1058 2.786,1059 10.975,1060 22.814,1061 3.937,1062 14.244,1063 15.889,1064 13.86,1065 28.744,1066 13.598,1067 2.69,1068 8.548,1069 24.787,1070 3.814,1071 15.463,1072 17.304,1073 15.119,1074 31.332,1075 14.746,1076 2.645,1077 8.344,1078 26.771,1079 3.518,1080 16.666,1081 18.553,1082 16.376,1083 33.913,1084 15.865,1085 2.389,1086 8.23,1087 28.764,1088 3.451,1089 17.89,1090 19.939,1091 17.636,1092 36.505,1093 17.013,1094 2.219,1095 6.735,1096 30.764,1097 3.104,1098 19.111,1099 21.226,1100 18.895,1101 39.095,1102 18.152,1103 30767,1104 53155,1105 30.224,1106 50.603,1107 71.883,1108 74.236,1109 72.964,1110 70.186,1111 70.007,1112 86.321,1113 27.78,1114 202.56,1115 68.229,1116 5.631,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.661,1124 5.271,1125 26.998,1126 1.529,1127 1.579,1128 1.552,1129 1.493,1130 1.49,1131 1.837,1132 0.591,1133 4.31,1134 1.452,1135 4.012,1136 4.048,1137 3.962,1138 3.915,1139 8.363,1140 3.917,1141 3.934,1142 3.966,1143 3.875,1144 3.863,1145 7.999,1146 3.858,1147 3.865,1148 3.923,1149 3.775,1150 3.699,1151 7.438,1152 3.703,1153 3.784,1154 3.821,1155 3.723,1156 3.616,1157 7.428,1158 3.641,1159 3.748,1160 3.78,1161 3.7,1162 3.556,1163 7.424,1164 3.59,1165 3.573,1166 3.625,1167 3.494,1168 3.345,1169 7.422,1170 3.373,1171 3.436,1172 3.473,1173 3.35,1174 3.209,1175 7.411,1176 3.238,1177 3.272,1178 3.325,1179 3.174,1180 3.076,1181 5.077,1182 3.09,1183 0.099,1184 0.099,1185 0.163,1186 0.095,1187 0.075,1188 4.631,1189 0.084,1190 4.65,1191 0.075,1192 7.668,1193 0.287,1194 4.449,1195 0.07,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.058,1204 2.059,1205 1.396,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.029,1211 1.244,1212 2.034,1213 1.826,1214 1.765,1215 2.047,1216 2.016,1217 1.161,1218 2.028,1219 1.709,1220 1.672,1221 1.823,1222 1.901,1223 0.953,1224 1.886,1225 1.644,1226 1.616,1227 1.755,1228 1.865,1229 0.885,1230 1.831,1231 1.486,1232 1.434,1233 1.678,1234 1.741,1235 0.848,1236 1.723,1237 1.335,1238 1.297,1239 1.537,1240 1.591,1241 0.825,1242 1.562,1243 1.216,1244 1.159,1245 1.526,1246 1.451,1247 0.63,1248 1.465,1249 4.554,1251 5.883,1253 7.404,1255 9.009,1257 10.657,1259 1.829,1261 30.509,1263 5.76,1265 1.687,1266 4.151,1270 -1.851,1271 2.459,1272 -4.572,1273 49.371,1274 134.588,1275 302.955,1276 395.958,1277 436.752,1278 445.506,1279 445.506,1280 178.065,1281 7.873,1282 156.49,1283 156.49,1284 24,1285 12.919,1286 4.322,1287 3.807,1288 84.641,1289 222,1290 268,1291 0.173,1292 303.647,1293 561.39,1294 732.658,1295 30289,1296 2.6,1297 31.855,1298 0.724,1299 0.551,1300 30.062,1301 24.224,1302 20.967,1303 0.446,1304 0.302,1305 13.971,1306 20.043,1307 13.714,1308 11.32,1309 20.206,1310 14.209,1311 19.314,1312 0.293,1313 0.162,1314 18.121,1315 10.671,1316 16.062,1317 0.191,1318 0.087,1319 14.549,1320 7.29,1321 11.902,1322 0.119,1323 0.05,1324 11.51,1325 4.964,1326 9.423,1327 0.077,1328 0.027,1329 9.33,1330 3.307,1331 0.272,1332 132.908,1333 0.182,1334 38.639,1335 0.473,1336 226,1337 853.813,1338 259.368,1339 761.451,1340 986.23,1341 702,1342 263,1343 679.158,1344 297.897,1345 670.682,1346 992.22,1347 629,1348 5.447}
{0 CHEMBL24734,1 1.808,2 13.833,3 2.882,4 8.306,5 152.42,6 8.736,7 0.4,8 4.32,9 4.428,10 3.995,11 3.877,12 5.569,13 3.88,14 4.832,15 4.972,16 4.404,17 4.249,18 6.225,19 4.24,20 5.138,21 5.307,22 4.55,23 4.379,24 6.701,25 4.355,26 5.206,27 5.405,28 4.485,29 4.34,30 6.578,31 4.326,32 5.2,33 5.382,34 4.576,35 4.347,36 6.712,37 4.363,38 5.246,39 5.421,40 4.667,41 4.385,42 6.823,43 4.414,44 5.274,45 5.441,46 4.648,47 4.373,48 6.86,49 4.406,50 5.238,51 5.425,52 4.578,53 4.34,54 6.748,55 4.358,56 0.207,57 1.115,58 9.997,59 5.817,60 35.321,61 6.519,62 0.679,63 1.913,64 19.967,65 9.819,66 95.073,67 11.321,68 1.438,69 2.197,70 34.655,71 13.302,72 242.38,73 15.84,74 1.387,75 2.31,76 40.516,77 13.524,78 224.273,79 15.672,80 1.478,81 2.432,82 39.365,83 13.579,84 239.216,85 14.686,86 1.456,87 2.439,88 40.111,89 14.285,90 239.583,91 15.451,92 1.766,93 2.697,94 45.195,95 14.528,96 266.999,97 13.811,98 1.623,99 2.464,100 42.833,101 14.024,102 265.7,103 14.712,105 65,106 63,107 0.281,108 0.587,109 0.721,110 0.829,111 0.869,112 0.883,113 3.765,114 0.875,115 -4.24,116 -4.18,117 -3.95,120 44.1,122 1,126 2,128 1,131 1,137 1,138 1,140 14,141 3,142 1,151 1,153 4,158 1,159 1,160 1,165 17,167 2,168 2,171 2,173 2,176 20,181 1,182 5,184 3,185 5,187 3,190 12,194 2,195 6,198 1,200 4,203 2,206 3,207 14,210 3,211 1,212 6,217 1,219 1,220 12,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 15,234 1,236 5,239 2,242 1,244 3,245 12,248 1,250 9,253 6,256 3,258 10,260 1,261 1,263 4,266 11,268 1,270 4152,271 27.669,272 27.669,273 27.669,274 27.669,275 27.669,276 24.48,277 26.073,278 16.309,279 28.102,280 22.141,281 22.141,282 22.141,283 22.141,284 22.141,285 17.32,286 26.034,287 7.745,288 22.91,289 4.28,290 2.317,291 1.455,292 0.76,293 0.5,294 0.412,295 4.451,298 1,302 1,303 1231,304 5.196,307 659.806,313 2.127,314 85.639,317 0.75,318 0.5,319 0.67,320 0.5,322 0.67,323 0.5,324 0.51,325 93.833,326 581,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.128,340 3.173,341 3.814,342 1.973,343 10.975,344 3.028,345 4.042,346 3.597,347 5.988,348 3.677,349 2.697,350 3.518,351 1.905,352 8.352,353 2.636,354 3.949,355 3.441,356 5.958,357 3.623,358 2.646,359 3.455,360 1.274,361 8.231,362 2.581,363 3.894,364 3.095,365 5.361,366 3.511,367 2.518,368 3.439,369 1.251,370 6.988,371 2.5,372 3.725,373 2.908,374 5.306,375 3.385,376 2.387,377 2.938,378 0.78,379 6.729,380 2.372,381 3.594,382 2.823,383 5.271,384 3.164,385 2.217,386 2.878,387 0.532,388 6.355,389 2.139,390 3.446,391 2.717,392 5.047,393 3.061,394 2.084,395 2.598,396 0.315,397 5.851,398 1.928,399 3.1,400 2.661,401 4.807,402 2.68,403 1.727,404 2.158,405 0.155,406 4.861,407 1.624,408 2.974,409 2.142,410 4.558,411 2.594,412 1.625,413 2.112,415 4.234,416 1.558,417 2.915,418 1.991,419 4.21,420 2.465,421 1.459,422 2.059,424 3.659,425 1.466,426 2.903,427 1.928,428 3.76,429 2.358,430 1.414,431 2.01,433 3.121,434 1.304,435 2.708,436 1.646,437 3.603,438 2.327,439 1.348,440 1.695,442 3.014,443 1.285,444 2.61,445 1.499,446 3.512,447 2.113,448 1.126,449 1.637,451 2.542,452 1.102,453 2.5,454 1.491,455 3.477,456 2,457 1,458 1.5,460 2.136,461 1,462 19.619,463 0.467,464 1.201,465 0.029,466 53.75,467 1.28,468 27,469 0.643,470 26.75,471 0.637,472 39.284,473 0.935,474 45.181,475 0.664,476 55.821,477 1.329,478 11.376,479 0.271,480 8.681,481 0.207,482 0.154,483 0.025,484 0.301,486 2,490 0.625,491 1.059,492 0.613,493 0.934,494 0.592,495 0.853,496 0.612,497 1.09,498 0.712,499 1.048,500 0.616,501 1.003,502 0.671,503 0.978,504 0.907,505 1.083,506 0.732,507 1.082,508 1.149,509 1.003,510 0.943,511 0.912,512 1.178,513 0.934,514 1.31,515 1.195,516 0.948,517 0.995,518 1.336,519 0.942,520 1.279,521 1.163,522 0.8,523 0.915,524 1.303,525 0.828,526 1.817,527 1.337,528 1.264,529 1.045,530 1.845,531 0.985,532 1.482,533 1.164,534 0.954,535 0.909,536 1.554,537 0.885,538 9.5,539 0.43,540 5.556,541 3.25,542 2.689,543 2.049,544 1.446,545 1.082,546 0.748,547 0.644,548 27905,549 93764,550 2.001,551 38.2,553 19,554 1,556 4,558 2,560 1.819,561 1.846,562 3.709,563 1.438,569 122.92,570 1.808,571 3.77,572 4.632,573 5.328,574 5.587,575 5.676,576 3.204,577 5.011,578 5.363,579 3.924,580 3378.73,581 9.526,582 60386.3,587 413.947,588 1.6,589 5.302,590 0.211,591 0.006,592 0.088,593 0.048,594 0.042,595 0.029,596 0.019,597 0.015,598 0.011,599 0.01,600 0.479,602 0.75,603 0.584,604 238.966,605 -0.064,606 -0.042,607 0.001,608 0.026,609 -0.078,610 0.04,611 0.142,612 -0.02,613 0.021,614 -0.086,615 0.08,616 -0.089,617 0.281,618 0.007,619 -0.005,620 -0.12,621 0.223,622 -0.139,623 -0.074,624 -0.011,625 -0.02,626 0.026,627 -0.088,628 0.014,629 -0.051,630 -0.012,631 -0.028,632 -0.04,633 -0.056,634 -0.026,635 -0.044,636 -0.134,637 0.119,638 0.035,639 0.023,640 0.097,641 -0.254,642 -0.035,643 -0.197,644 -0.066,645 -0.221,646 -0.1,647 -0.146,648 -0.027,649 -0.006,650 0.045,651 -0.145,652 0.038,653 5.719,654 7.177,655 0.571,656 50.177,657 1.026,658 1.131,659 3.008,660 9.048,661 0.687,662 3.829,663 4.159,664 4.394,665 4.575,666 4.779,667 4.804,668 4.86,669 4.956,670 5.011,671 5.05,672 8.361,673 0.675,674 594.06,675 3.829,676 5.38,677 6.221,678 7.093,679 7.953,680 8.83,681 9.698,682 10.58,683 11.453,684 12.338,685 7.4,686 1,692 3,694 1,699 14,704 4,706 18,719 1,720 68,723 24,724 3,725 45,727 71,728 30,729 18,730 4,731 14,732 4,735 4,736 4,737 1,743 1,748 3,749 25,750 5,754 6,759 4,761 1,762 1,763 6,766 2,768 26,769 11,770 4,771 12,772 1,775 5,776 1,780 1,781 4,789 4,798 1,800 2,801 1,805 1,807 1,813 4,818 1,819 2,821 42,822 1,828 3,829 2,833 1,834 1,835 1,839 3,840 5.9,843 4,847 22.75,848 11.912,849 9.222,850 3.743,851 2.603,852 1.333,853 0.977,854 9.971,855 10.413,856 4.111,857 4.649,858 5.122,859 5.533,860 6.009,861 6.024,862 6.297,863 6.551,864 6.795,865 6.899,866 1,867 68,868 16.343,870 7.909,871 8.259,872 28.324,874 22.935,877 2.759,878 115.861,882 258.964,883 187.674,884 88.829,885 39.149,886 100.58,887 29.92,889 187.674,890 398.693,891 118.749,893 87.836,894 132.667,895 124.912,896 61.587,897 11.771,898 247.193,899 39.149,900 258.964,901 276.503,902 130.5,903 39.149,905 235.422,906 154.042,908 1.824,909 95.574,910 176.348,911 41.905,913 288.884,914 189.408,915 226.823,918 260.788,919 44.135,920 144.839,921 36.022,922 219.331,923 258.964,924 219.328,925 226.823,927 0.586,928 0.341,929 0.17,930 0.093,931 27,932 14,933 0.155,934 11,936 1,937 4.891,938 422.809,940 24,941 216.477,945 30.731,946 13.628,947 7.753,949 219.328,950 22.825,955 1.751,957 68.919,958 705.116,959 60,964 51.62,966 1.128,967 4.153,968 -5.536,969 69.771,970 76.935,971 0.297,972 0.619,973 0.761,974 0.875,975 0.918,976 0.932,977 5.359,978 2.084,979 6.232,980 6.355,981 4.844,982 5.338,983 3.694,984 7.069,985 4.776,986 6.569,987 1.727,988 7.823,989 5.851,990 4.575,991 5.094,992 3.758,993 8.228,994 4.411,995 7.879,996 1.625,997 9.531,998 4.861,999 6.497,1000 7.418,1001 5.396,1002 11.313,1003 6.342,1004 9.222,1005 1.459,1006 11.314,1007 4.234,1008 7.057,1009 7.92,1010 6.325,1011 13.363,1012 6.797,1013 10.597,1014 1.414,1015 13.15,1016 3.659,1017 8.498,1018 9.759,1019 7.653,1020 16.07,1021 8.224,1022 11.996,1023 1.348,1024 15.025,1025 3.121,1026 9.428,1027 10.61,1028 8.832,1029 18.458,1030 9.049,1031 13.413,1032 1.126,1033 16.932,1034 3.014,1035 10.707,1036 12.234,1037 10.102,1038 21.071,1039 10.289,1040 3.517,1041 1,1042 18.862,1043 2.542,1044 11.805,1045 13.274,1046 11.342,1047 23.585,1048 11.289,1049 3.173,1050 13.509,1051 20.812,1052 2.136,1053 13.037,1054 14.783,1055 12.603,1056 26.177,1057 12.462,1058 2.697,1059 10.975,1060 22.778,1061 3.937,1062 14.209,1063 15.936,1064 13.858,1065 28.738,1066 13.544,1067 2.646,1068 8.352,1069 24.757,1070 3.814,1071 15.433,1072 17.378,1073 15.118,1074 31.329,1075 14.698,1076 2.518,1077 8.231,1078 26.745,1079 3.518,1080 16.64,1081 18.601,1082 16.376,1083 33.91,1084 15.82,1085 2.387,1086 6.988,1087 28.743,1088 3.455,1089 17.868,1090 20.004,1091 17.635,1092 36.503,1093 16.973,1094 2.217,1095 6.729,1096 30.746,1097 3.439,1098 19.093,1099 21.271,1100 18.895,1101 39.094,1102 18.116,1103 26865,1104 49481,1105 29.126,1106 46.716,1107 68.868,1108 70.459,1109 69.496,1110 67.303,1111 66.932,1112 86.39,1113 23.419,1114 192.944,1115 64.589,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.271,1125 24.551,1126 1.53,1127 1.566,1128 1.544,1129 1.496,1130 1.487,1131 1.92,1132 0.52,1133 4.288,1134 1.435,1135 4.006,1136 4.04,1137 4.031,1138 3.912,1139 8.363,1140 3.913,1141 3.934,1142 3.964,1143 3.902,1144 3.862,1145 7.999,1146 3.858,1147 3.904,1148 3.937,1149 3.829,1150 3.842,1151 7.436,1152 3.835,1153 3.775,1154 3.804,1155 3.788,1156 3.611,1157 7.426,1158 3.637,1159 3.735,1160 3.762,1161 3.723,1162 3.55,1163 7.423,1164 3.584,1165 3.54,1166 3.586,1167 3.483,1168 3.297,1169 7.411,1170 3.335,1171 3.347,1172 3.401,1173 3.318,1174 3.15,1175 5.081,1176 3.162,1177 3.166,1178 3.234,1179 3.247,1180 2.989,1181 4.942,1182 2.99,1183 0.103,1184 0.103,1185 0.17,1186 0.099,1187 0.078,1188 4.631,1189 0.087,1190 4.65,1191 0.078,1192 7.668,1193 0.3,1194 4.449,1195 0.073,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.93,1202 1.902,1203 2.057,1204 2.049,1205 1.245,1206 2.042,1207 1.918,1208 1.893,1209 2.04,1210 2.02,1211 1.151,1212 2.02,1213 1.91,1214 1.88,1215 1.996,1216 2,1217 1.107,1218 2.014,1219 1.697,1220 1.662,1221 1.808,1222 1.877,1223 0.942,1224 1.864,1225 1.633,1226 1.606,1227 1.738,1228 1.836,1229 0.862,1230 1.807,1231 1.423,1232 1.379,1233 1.591,1234 1.695,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.52,1240 1.528,1241 0.592,1242 1.526,1243 1.12,1244 1.068,1245 1.307,1246 1.357,1247 0.411,1248 1.348,1249 4.511,1251 5.838,1253 7.357,1255 8.961,1257 10.609,1260 6.07,1261 30.354,1263 5.734,1265 -1.267,1266 4.357,1270 -1.809,1271 0.949,1272 -4.469,1273 45.882,1274 122.92,1275 256.39,1276 314.993,1277 362.296,1278 379.947,1279 385.947,1280 154.012,1281 7.81,1282 136.18,1283 136.18,1284 24,1285 12.873,1286 4.644,1287 4,1288 78.544,1289 203,1290 242,1291 0.176,1292 285.742,1293 523.33,1294 688.97,1295 27721,1296 4.4,1297 30.277,1298 0.721,1299 0.544,1300 28.985,1301 22.854,1302 20.057,1303 0.446,1304 0.292,1305 12.583,1306 18.991,1307 12.348,1308 10.176,1309 19.584,1310 13.127,1311 18.442,1312 0.293,1313 0.155,1314 17.658,1315 9.792,1316 15.285,1317 0.191,1318 0.081,1319 14.035,1320 6.518,1321 11.412,1322 0.119,1323 0.045,1324 11.273,1325 4.365,1326 9.086,1327 0.077,1328 0.024,1329 9.192,1330 2.854,1331 0.277,1332 129.467,1333 0.185,1334 37.147,1335 0.487,1336 216,1337 828.636,1338 260.259,1339 775.036,1340 999.78,1341 714,1342 251,1343 669.568,1344 290.915,1345 674.527,1346 995.58,1347 633,1348 6.339}
{0 CHEMBL247767,1 1.605,2 15.205,3 2.123,4 4.507,5 161.937,6 7.15,7 0.261,8 4.511,9 4.647,10 4.002,11 3.975,12 5.662,13 3.959,14 5.053,15 5.235,16 4.345,17 4.368,18 6.212,19 4.311,20 5.405,21 5.634,22 4.429,23 4.541,24 6.48,25 4.458,26 5.515,27 5.762,28 4.493,29 4.544,30 6.623,31 4.48,32 5.515,33 5.736,34 4.656,35 4.548,36 6.946,37 4.521,38 5.563,39 5.786,40 4.615,41 4.593,42 6.832,43 4.56,44 5.589,45 5.806,46 4.636,47 4.64,48 6.838,49 4.598,50 5.647,51 5.872,52 4.659,53 4.704,54 6.957,55 4.637,56 0.143,57 1.246,58 18.461,59 7.191,60 27.192,61 10.126,62 0.603,63 1.931,64 33.838,65 12.382,66 92.433,67 17.874,68 0.998,69 2.396,70 51.596,71 15.744,72 142.233,73 23.751,74 1.051,75 2.467,76 59.665,77 16.242,78 180.807,79 25.063,80 1.725,81 2.501,82 59.613,83 15.315,84 296.923,85 23.536,86 1.434,87 2.578,88 62.756,89 16.203,90 235.096,91 24.216,92 1.373,93 2.652,94 64,95 17.674,96 245.939,97 25.787,98 1.795,99 2.847,100 67.854,101 18.705,102 312.691,103 28.269,105 92,106 61,107 0.242,108 0.558,109 0.743,110 0.819,111 0.851,112 0.858,113 3.81,114 0.949,115 -1.93,116 -1.98,117 -1.98,120 36.5,121 2,122 4,123 1,126 1,128 5,140 10,141 2,149 1,153 3,154 2,158 1,159 1,160 1,162 1,164 1,165 17,168 1,170 1,171 7,172 2,173 4,174 1,175 1,176 19,177 1,182 3,185 4,186 4,187 6,190 10,191 1,195 7,196 1,198 1,199 1,200 11,201 1,203 2,204 2,205 1,206 4,207 10,210 7,211 4,212 12,214 1,215 1,216 2,219 1,220 11,222 1,223 4,224 2,225 9,226 1,227 3,228 1,230 1,231 11,232 1,233 1,234 3,235 2,236 12,237 2,238 1,239 7,240 1,244 3,245 9,248 5,249 3,250 11,253 9,256 1,257 1,258 8,259 1,260 1,261 3,262 1,263 11,264 1,265 1,266 11,267 1,268 2,269 1,270 4862,271 29.007,272 29.007,273 29.007,274 29.007,275 29.007,276 26.493,277 30.405,278 17.552,279 29.305,280 22.677,281 22.677,282 22.677,283 22.677,284 22.677,285 18.904,286 31.999,287 8.338,288 23.123,289 4.805,290 2.709,291 1.481,292 0.977,293 0.771,294 0.724,295 4.487,303 1382,304 6.083,307 587.092,313 2.187,314 72.76,317 0.25,318 0.33,319 0.33,320 0.7,321 1,322 0.17,324 0.4,325 97.5,326 669,327 4.167,328 3.847,329 6.486,330 4.02,331 3.045,332 3.471,333 2.375,334 10.11,335 2.964,336 4.028,337 3.775,338 6.076,339 3.825,340 2.842,341 3.46,342 1.987,343 8.822,344 2.786,345 3.988,346 3.684,347 6,348 3.788,349 2.805,350 3.314,351 1.928,352 8.572,353 2.752,354 3.896,355 3.462,356 5.557,357 3.603,358 2.61,359 3.12,360 1.652,361 7.592,362 2.592,363 3.787,364 3.184,365 5.288,366 3.405,367 2.426,368 3.053,369 1.38,370 6.743,371 2.384,372 3.721,373 3.032,374 5.263,375 3.322,376 2.366,377 2.943,378 1.233,379 6.572,380 2.242,381 3.484,382 2.731,383 5.044,384 3.212,385 2.224,386 2.641,387 0.382,388 6.083,389 2.193,390 3.384,391 2.672,392 4.928,393 3.098,394 2.097,395 2.465,396 0.279,397 5.622,398 2.077,399 3.117,400 2.458,401 4.732,402 2.993,403 1.992,404 2.142,405 0.268,406 5.023,407 1.99,408 3.067,409 2.329,410 4.613,411 2.756,412 1.777,413 2.082,414 0.14,415 4.87,416 1.719,417 2.918,418 2.005,419 3.972,420 2.488,421 1.487,422 2.075,423 0.019,424 3.207,425 1.484,426 2.856,427 1.971,428 3.758,429 2.424,430 1.425,431 1.975,433 3.138,434 1.424,435 2.5,436 1.795,437 3.607,438 2.204,439 1.238,440 1.5,442 2.942,443 1.189,444 2.5,445 1.52,446 3.547,447 2.057,448 1.085,449 1.5,451 2.555,452 1.044,453 2.391,454 1.491,455 3.48,456 2.014,457 1.018,458 1.317,460 2.467,461 1,462 20.3,463 0.461,464 1.123,465 0.026,466 48.75,467 1.108,468 21,469 0.477,470 27.75,471 0.631,472 49.917,473 1.134,474 50.5,475 0.594,476 50.542,477 1.149,478 9.962,479 0.226,480 11.087,481 0.252,482 0.167,484 0.32,490 0.793,491 1.391,492 0.87,493 1.155,494 0.645,495 1.032,496 0.493,497 1.252,498 0.911,499 1.231,500 0.495,501 1.167,502 0.873,503 1.062,504 1.054,505 1.084,506 0.879,507 1.096,508 1.172,509 1.065,510 0.961,511 0.96,512 1.166,513 0.92,514 1.049,515 1.008,516 0.938,517 0.94,518 1.041,519 0.911,520 1.478,521 0.956,522 1.094,523 0.911,524 1.481,525 0.919,526 1.455,527 1.027,528 1.086,529 0.982,530 1.527,531 0.969,532 1.11,533 1.022,534 1.083,535 0.997,536 1.115,537 1.026,538 10,539 0.455,540 3.778,541 3,542 2.764,543 1.444,544 1.426,545 1.04,546 0.811,547 0.631,548 31048,549 88726,550 1.957,551 48.2,552 7,553 17,555 1,556 8,558 6,559 2,560 1.83,561 1.808,562 3.856,563 4.506,569 136.397,570 1.605,571 3.701,572 4.929,573 5.433,574 5.639,575 5.686,576 3.326,577 5.005,578 5.43,579 4.029,580 3811.24,581 9.662,582 71740.4,587 544.798,588 1.488,589 5.373,590 0.217,591 0.006,592 0.062,593 0.048,594 0.041,595 0.019,596 0.019,597 0.014,598 0.011,599 0.008,600 0.445,601 0.17,602 0.5,603 0.981,604 255.234,605 -0.106,606 -0.049,607 -0.002,608 0.033,609 -0.061,610 0.041,611 0.211,612 -0.04,613 -0.01,614 -0.118,615 0.111,616 -0.119,617 0.013,618 0.012,619 -0.091,620 -0.079,621 -0.068,622 -0.104,623 -0.105,624 -0.088,625 0.046,626 -0.005,627 -0.104,628 0.045,629 0.214,630 0.02,631 0.095,632 -0.009,633 0.228,634 0.018,635 -0.152,636 0.054,637 -0.053,638 0.021,639 -0.122,640 0.008,641 -0.152,642 -0.028,643 -0.057,644 -0.015,645 -0.137,646 -0.02,647 0.062,648 -0.007,649 -0.07,650 -0.032,651 0.077,652 -0.07,653 2.911,654 6.698,655 0.409,656 57.455,657 1.008,658 1.139,659 0.697,660 0.486,661 0.632,662 3.85,663 4.127,664 4.29,665 4.5,666 4.682,667 4.605,668 4.7,669 4.771,670 4.762,671 4.745,672 8.918,673 0.605,674 607.79,675 3.85,676 5.371,677 6.176,678 7.026,679 7.852,680 8.704,681 9.54,682 10.392,683 11.233,684 12.087,685 8.2,686 1,687 1,692 4,694 1,699 10,704 2,706 12,720 85,723 18,724 2,725 46,727 87,728 31,729 12,730 2,731 10,735 3,736 3,739 1,740 1,741 2,745 2,748 9,749 18,750 13,751 1,754 6,759 5,761 1,762 1,763 5,768 41,769 13,770 8,771 13,775 7,780 1,781 6,789 3,795 1,800 2,802 1,807 1,808 1,811 1,813 3,817 2,821 44,822 1,827 1,828 5,829 5,833 6,840 7.1,842 1,843 5,847 24.333,848 14.733,849 9.944,850 4.929,851 1.394,852 1.187,853 0.91,854 13.803,855 8.848,856 4.078,857 4.511,858 4.824,859 5.194,860 5.605,861 5.394,862 5.576,863 5.789,864 5.839,865 5.76,866 1,867 63,868 16.589,870 7.214,871 8.083,872 30.431,874 24.506,877 2.583,878 113.667,882 388.446,883 158.946,884 139.736,886 168.408,889 158.946,890 556.854,891 139.736,892 17.65,893 117.184,894 112.773,895 201.922,896 23.157,897 6.175,898 376.675,900 388.446,901 298.683,902 168.408,905 294.278,906 262.577,909 169.631,910 117.628,911 11.424,913 388.446,914 308.144,915 158.946,918 388.446,919 35.109,920 123.837,921 90.054,922 218.091,923 388.446,924 308.144,925 158.946,927 0.569,928 0.314,929 0.168,930 0.099,931 22,932 13,933 0.172,934 15,936 1,937 5.044,938 428.512,940 18,941 230.215,945 34.708,946 17.499,947 11.683,949 308.144,950 18.019,955 1.565,957 165.634,958 855.537,959 58,964 63.824,966 0.649,967 4.073,968 -3.278,969 85.698,970 96.803,971 0.25,972 0.577,973 0.769,974 0.848,975 0.88,976 0.887,977 5.308,978 2.097,979 6.146,980 6.083,981 4.812,982 5.198,983 3.547,984 6.887,985 4.774,986 6.461,987 1.992,988 7.665,989 5.622,990 4.369,991 4.82,992 3.017,993 7.647,994 4.317,995 7.719,996 1.777,997 9.28,998 5.023,999 6.34,1000 7.103,1001 4.61,1002 10.703,1003 6.257,1004 9,1005 1.487,1006 10.951,1007 4.87,1008 6.661,1009 7.423,1010 4.781,1011 12.271,1012 6.563,1013 10.306,1014 1.425,1015 12.657,1016 3.207,1017 8.122,1018 9.249,1019 5.928,1020 14.843,1021 7.994,1022 11.63,1023 1.238,1024 14.39,1025 3.138,1026 8.807,1027 9.887,1028 6.432,1029 16.779,1030 8.662,1031 12.966,1032 1.085,1033 16.141,1034 2.942,1035 10.049,1036 11.516,1037 7.399,1038 19.167,1039 9.876,1040 3.045,1041 1.018,1042 17.907,1043 2.555,1044 10.921,1045 12.325,1046 8.073,1047 21.283,1048 10.728,1049 2.842,1050 10.11,1051 19.686,1052 2.467,1053 12.064,1054 13.847,1055 8.966,1056 23.601,1057 11.845,1058 2.805,1059 8.822,1060 21.474,1061 3.471,1062 13.035,1063 14.762,1064 9.727,1065 25.804,1066 12.793,1067 2.61,1068 8.572,1069 23.271,1070 3.46,1071 14.136,1072 16.216,1073 10.591,1074 28.099,1075 13.868,1076 2.426,1077 7.592,1078 25.076,1079 3.314,1080 15.158,1081 17.204,1082 11.398,1083 30.347,1084 14.866,1085 2.366,1086 6.743,1087 26.886,1088 3.12,1089 16.243,1090 18.608,1091 12.253,1092 32.636,1093 15.925,1094 2.224,1095 6.572,1096 28.702,1097 3.053,1098 17.294,1099 19.651,1100 13.084,1101 34.908,1102 16.95,1103 30624,1104 51976,1105 29.531,1106 53.711,1107 68.69,1108 71.289,1109 69.502,1110 67.058,1111 66.916,1112 81.501,1113 23.286,1114 181.706,1115 65.751,1116 5.147,1117 5.847,1118 6.288,1119 5.092,1120 5.045,1121 6.471,1122 3.989,1123 16.936,1124 4.964,1125 27.437,1126 1.493,1127 1.55,1128 1.511,1129 1.458,1130 1.455,1131 1.772,1132 0.506,1133 3.95,1134 1.429,1135 3.985,1136 4.029,1137 3.907,1138 3.892,1139 7.475,1140 3.887,1141 3.919,1142 3.952,1143 3.844,1144 3.854,1145 7.453,1146 3.846,1147 3.882,1148 3.931,1149 3.805,1150 3.724,1151 7.435,1152 3.736,1153 3.787,1154 3.844,1155 3.689,1156 3.631,1157 7.427,1158 3.632,1159 3.664,1160 3.71,1161 3.597,1162 3.445,1163 7.423,1164 3.473,1165 3.61,1166 3.664,1167 3.491,1168 3.435,1169 6.351,1170 3.442,1171 3.529,1172 3.578,1173 3.44,1174 3.299,1175 5.144,1176 3.326,1177 3.369,1178 3.417,1179 3.27,1180 3.143,1181 4.763,1182 3.163,1183 0.091,1184 0.084,1185 0.141,1186 0.087,1187 0.066,1188 4.167,1189 0.075,1190 3.847,1191 0.052,1192 6.486,1193 0.22,1194 4.02,1195 0.064,1196 3.045,1197 3.471,1198 2.375,1199 10.11,1200 2.964,1201 1.926,1202 1.896,1203 2.058,1204 2.048,1205 1.324,1206 2.043,1207 1.924,1208 1.895,1209 2.054,1210 2.021,1211 1.291,1212 2.032,1213 1.825,1214 1.772,1215 2.014,1216 2.007,1217 1.23,1218 2.013,1219 1.765,1220 1.707,1221 1.969,1222 1.945,1223 1.23,1224 1.96,1225 1.573,1226 1.527,1227 1.764,1228 1.819,1229 0.908,1230 1.794,1231 1.567,1232 1.519,1233 1.733,1234 1.782,1235 0.89,1236 1.779,1237 1.442,1238 1.387,1239 1.642,1240 1.696,1241 0.832,1242 1.677,1243 1.293,1244 1.239,1245 1.516,1246 1.553,1247 0.743,1248 1.54,1249 4.533,1251 5.82,1253 7.279,1255 8.814,1257 10.391,1259 3.769,1263 5.853,1264 9.724,1265 1.184,1266 13.336,1270 -5.05,1273 51.394,1274 136.397,1275 314.547,1276 418.95,1277 461.779,1278 479.288,1279 483.288,1280 197.541,1281 7.455,1282 204.11,1283 204.11,1284 18,1285 12.645,1286 4.248,1287 3.7,1288 101.226,1289 227,1290 256,1291 0.203,1292 322.362,1293 584.04,1294 778.322,1295 16780,1297 32.062,1298 0.729,1299 0.565,1300 32.062,1301 24.864,1302 21.049,1303 0.458,1304 0.316,1305 14.35,1306 20.204,1307 14.03,1308 11.688,1309 21.049,1310 14.555,1311 18.846,1312 0.309,1313 0.182,1314 18.846,1315 11.114,1316 13.924,1317 0.193,1318 0.098,1319 13.924,1320 7.043,1321 11.189,1322 0.126,1323 0.055,1324 11.189,1325 4.871,1326 9.192,1327 0.086,1328 0.03,1329 9.192,1330 3.187,1331 0.32,1332 132.672,1333 0.184,1334 38.762,1335 0.554,1336 214,1337 689.449,1338 239.86,1339 657.075,1340 850.46,1341 606,1342 240,1343 579.12,1344 263.315,1345 581.959,1346 834.88,1347 546,1348 8.029}
{0 CHEMBL25114,1 1.802,2 11.257,3 1.517,4 2.3,5 121.325,6 8.5,7 0.324,8 4.148,9 4.253,10 3.786,11 3.655,12 5.447,13 3.675,14 4.657,15 4.798,16 4.206,17 4.019,18 6.148,19 4.034,20 4.955,21 5.109,22 4.373,23 4.164,24 6.674,25 4.166,26 5.046,27 5.248,28 4.276,29 4.159,30 6.464,31 4.152,32 5.024,33 5.199,34 4.35,35 4.175,36 6.541,37 4.187,38 5.099,39 5.288,40 4.404,41 4.19,42 6.653,43 4.217,44 5.078,45 5.246,46 4.35,47 4.159,48 6.661,49 4.187,50 5.069,51 5.267,52 4.249,53 4.082,54 6.563,55 4.098,56 0.253,57 0.96,58 8.904,59 4.989,60 47.86,61 5.449,62 0.747,63 1.655,64 17.644,65 8.226,66 128.855,67 9.512,68 1.508,69 1.804,70 26.789,71 10.543,72 279.427,73 12.462,74 1.385,75 1.899,76 33.899,77 10.918,78 242.21,79 13.497,80 1.297,81 1.939,82 30.604,83 11.062,84 225.945,85 12.767,86 1.481,87 1.969,88 35.497,89 11.486,90 254.851,91 13.518,92 1.521,93 2.061,94 33.144,95 11.386,96 257.102,97 12.036,98 1.54,99 1.859,100 36.642,101 11.299,102 274.381,103 12.939,105 85,106 53,107 0.293,108 0.656,109 0.794,110 0.864,111 0.889,112 0.889,113 3.589,114 0.844,115 -3.21,116 -3.2,117 -3.08,120 42.1,121 1,122 1,126 1,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 4,158 1,159 1,160 1,162 1,164 1,165 14,167 2,168 2,171 2,173 1,176 16,181 1,182 5,183 1,184 3,185 5,187 1,190 10,194 2,195 7,198 1,200 2,201 1,203 2,204 1,206 3,207 12,210 3,211 1,212 5,216 1,217 1,219 1,220 10,221 1,222 1,223 1,224 1,225 6,226 1,228 2,229 2,230 1,231 13,232 1,234 1,236 6,239 1,240 2,242 2,244 3,245 10,248 1,250 7,253 3,254 1,256 3,258 8,259 2,260 1,261 1,263 2,266 6,267 1,268 1,270 2241,271 22.532,272 22.532,273 22.532,274 22.532,275 22.532,276 20.041,277 21.792,278 13.023,279 22.801,280 18.158,281 18.158,282 18.158,283 18.158,284 18.158,285 14.372,286 19.377,287 6.131,288 18.643,289 4.031,290 1.798,291 0.948,292 0.518,293 0.364,294 0.364,295 4.261,302 1,303 817,304 4.95,307 390.072,313 1.45,314 77.118,317 1,318 0.67,319 0.83,320 0.8,322 0.83,323 0.5,324 0.66,325 80,326 394,327 4.618,328 4.657,329 7.646,330 4.433,331 3.505,332 3.937,333 3.59,334 13.367,335 3.246,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.799,342 2.118,343 10.975,344 3.034,345 4.042,346 3.599,347 5.965,348 3.67,349 2.687,350 3.518,351 1.96,352 8.302,353 2.646,354 3.942,355 3.444,356 5.95,357 3.639,358 2.645,359 3.45,360 1.438,361 8.21,362 2.608,363 3.722,364 3.054,365 5.305,366 3.384,367 2.387,368 2.934,369 1.252,370 6.719,371 2.369,372 3.592,373 2.888,374 5.266,375 3.2,376 2.215,377 2.873,378 0.78,379 6.335,380 2.177,381 3.42,382 2.676,383 5.028,384 3.077,385 2.067,386 2.56,387 0.315,388 5.805,389 2.073,390 3.094,391 2.544,392 4.77,393 2.659,394 1.688,395 2.14,396 0.156,397 4.78,398 1.624,399 2.929,400 2.142,401 4.445,402 2.498,403 1.493,404 2.075,406 3.662,407 1.492,408 2.915,409 1.988,410 4.209,411 2.389,412 1.414,413 2.01,415 3.45,416 1.372,417 2.66,418 1.849,419 3.614,420 2.264,421 1.294,422 1.645,424 2.968,425 1.225,426 2.609,427 1.491,428 3.482,429 2.117,430 1.125,431 1.599,433 2.541,434 1.113,435 2.5,436 1.475,437 3.411,438 2,439 1,440 1.5,442 2.136,443 1,444 2.145,445 1.165,446 3.247,447 1.656,448 0.651,449 0.848,451 1.648,452 0.627,453 1.916,454 1,455 3.178,456 1.384,457 0.368,458 0.49,460 0.924,461 0.367,462 15.838,463 0.453,464 1.171,465 0.033,466 43.25,467 1.236,468 21,469 0.6,470 22.25,471 0.636,472 31.421,473 0.898,474 38.762,475 0.68,476 44.534,477 1.272,478 9.272,479 0.265,480 7.229,481 0.207,482 0.198,483 0.032,484 0.341,486 2,490 0.673,491 1.069,492 0.687,493 1.021,494 0.651,495 0.893,496 0.562,497 1.083,498 0.697,499 1.086,500 0.576,501 0.979,502 0.576,503 1.002,504 0.871,505 1.109,506 0.629,507 1.112,508 0.932,509 0.887,510 0.979,511 0.908,512 0.936,513 0.938,514 0.988,515 1.104,516 0.997,517 1.076,518 0.994,519 1.045,520 1.028,521 0.938,522 0.892,523 0.89,524 0.993,525 0.845,526 1.357,527 1.16,528 1.209,529 1.124,530 1.377,531 1.106,532 1.282,533 1.006,534 1.068,535 0.895,536 1.319,537 0.902,538 9,539 0.351,540 5.111,541 2.938,542 2.298,543 1.681,544 1.2,545 0.847,546 0.678,547 0.554,548 15579,549 56583,550 1.939,551 38.6,552 3,553 12,554 1,556 4,558 2,560 1.775,561 1.757,562 3.442,563 1.576,565 1,569 102.718,570 1.802,571 4.035,572 4.885,573 5.315,574 5.469,575 5.469,576 2.752,577 4.729,578 5.105,579 3.628,580 2158.42,581 9.006,582 33575.5,587 332.475,588 1.704,589 5.016,590 0.243,591 0.007,592 0.096,593 0.051,594 0.043,595 0.029,596 0.02,597 0.015,598 0.013,599 0.011,600 0.529,601 0.17,602 0.88,603 1.09,604 187.055,605 -0.085,606 -0.045,607 -0.01,608 0.038,609 -0.099,610 0.047,611 0.186,612 -0.005,613 0.101,614 -0.054,615 0.127,616 -0.025,617 0.344,618 0.01,619 0.021,620 -0.121,621 0.293,622 -0.171,623 -0.018,624 0.039,626 0.043,627 -0.023,628 0.036,629 -0.011,630 -0.078,631 -0.056,632 -0.102,633 -0.016,634 -0.097,635 -0.03,636 -0.035,637 0.098,638 0.055,639 0.025,640 0.111,641 -0.167,642 -0.049,643 -0.223,644 -0.15,645 -0.154,646 -0.187,647 -0.156,648 -0.079,649 -0.019,650 0.054,651 -0.157,652 0.063,653 5.977,654 6.028,655 0.514,656 32.426,657 1.033,658 1.138,659 1.983,660 3.932,661 0.663,662 3.638,663 3.989,664 4.22,665 4.382,666 4.585,667 4.625,668 4.673,669 4.754,670 4.796,671 4.812,672 7.061,673 0.661,674 484.5,675 3.638,676 5.198,677 6.043,678 6.923,679 7.789,680 8.673,681 9.546,682 10.433,683 11.309,684 12.197,685 7,686 1,692 2,694 1,699 9,704 3,706 12,720 57,723 18,724 2,725 37,727 59,728 24,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 19,750 5,754 6,759 4,761 1,762 1,763 6,766 2,768 22,769 11,770 4,771 11,775 4,776 1,780 1,781 5,789 3,798 1,800 1,801 1,802 1,805 1,807 1,811 1,813 3,817 1,819 2,821 35,822 1,827 1,828 2,829 1,833 1,834 1,835 1,839 2,840 8.8,842 1,843 4,847 19.917,848 10.302,849 7.639,850 3.084,851 2.468,852 1.334,853 0.942,854 7.903,855 9.861,856 3.912,857 4.454,858 4.913,859 5.31,860 5.785,861 5.868,862 6.154,863 6.408,864 6.647,865 6.758,866 1,867 58,868 13.857,870 7.062,871 8.474,872 23.187,874 18.683,877 2.974,878 104.083,882 211.88,883 139.717,884 70.818,886 143.263,887 29.92,889 139.717,890 355.143,891 100.738,892 8.825,893 67.72,894 85.286,895 163.8,896 58.087,897 11.771,898 200.109,900 211.88,901 210.535,902 173.183,905 188.338,906 196.725,908 1.824,909 84.283,910 121.671,911 2.757,913 241.8,914 214.081,915 139.717,918 213.704,919 34.734,920 106.283,921 18.011,922 222.866,923 211.88,924 244.001,925 139.717,927 0.595,928 0.348,929 0.166,930 0.091,931 23,932 13,933 0.153,934 9,936 1,937 4.237,938 328.647,940 18,941 171.525,945 25.888,946 10.685,947 6.044,949 244.001,950 14.854,955 1.772,957 93.591,958 595.598,959 49,964 48.896,966 1.142,967 4.141,968 -6.488,969 58.905,970 64.872,971 0.309,972 0.692,973 0.837,974 0.911,975 0.938,976 0.938,977 5.176,978 1.688,979 6.08,980 5.805,981 4.673,982 5.142,983 3.742,984 6.942,985 4.617,986 6.403,987 1.493,988 7.694,989 4.78,990 4.511,991 5.007,992 3.858,993 8.167,994 4.372,995 7.727,996 1.414,997 9.424,998 3.662,999 6.361,1000 7.229,1001 5.492,1002 11.237,1003 6.217,1004 9.083,1005 1.294,1006 11.226,1007 3.45,1008 6.995,1009 7.82,1010 6.44,1011 13.309,1012 6.747,1013 10.47,1014 1.125,1015 13.077,1016 2.968,1017 8.402,1018 9.587,1019 7.777,1020 16.007,1021 8.129,1022 11.879,1023 1,1024 14.964,1025 2.541,1026 9.374,1027 10.507,1028 8.972,1029 18.394,1030 8.995,1031 13.306,1032 0.651,1033 16.879,1034 2.136,1035 10.641,1036 12.082,1037 10.257,1038 20.997,1039 10.214,1040 3.505,1041 0.368,1042 18.816,1043 1.648,1044 11.757,1045 13.174,1046 11.514,1047 23.502,1048 11.232,1049 3.173,1050 13.367,1051 20.77,1052 0.924,1053 12.985,1054 14.651,1055 12.792,1056 26.083,1057 12.395,1058 2.687,1059 10.975,1060 22.738,1061 3.937,1062 14.165,1063 15.842,1064 14.064,1065 28.634,1066 13.482,1067 2.645,1068 8.302,1069 24.718,1070 3.799,1071 15.387,1072 17.264,1073 15.342,1074 31.212,1075 14.63,1076 2.387,1077 8.21,1078 26.706,1079 3.518,1080 16.595,1081 18.514,1082 16.618,1083 33.782,1084 15.751,1085 2.215,1086 6.719,1087 28.703,1088 3.45,1089 17.821,1090 19.905,1091 17.896,1092 36.364,1093 16.898,1094 2.067,1095 6.335,1096 30.705,1097 2.934,1098 19.044,1099 21.193,1100 19.174,1101 38.943,1102 18.037,1103 15473,1104 29736,1105 23.175,1106 37.784,1107 57.387,1108 58.579,1109 58.586,1110 55.698,1111 55.544,1112 70.884,1113 23.218,1114 163.927,1115 54.056,1116 5.584,1117 6.657,1118 7.448,1119 5.502,1120 5.505,1121 6.937,1122 5.335,1123 21.393,1124 5.246,1125 23.332,1126 1.551,1127 1.583,1128 1.583,1129 1.505,1130 1.501,1131 1.916,1132 0.628,1133 4.43,1134 1.461,1135 4.004,1136 4.038,1137 3.956,1138 3.912,1139 8.364,1140 3.914,1141 3.931,1142 3.961,1143 3.869,1144 3.863,1145 7.999,1146 3.857,1147 3.784,1148 3.819,1149 3.737,1150 3.616,1151 7.468,1152 3.643,1153 3.738,1154 3.759,1155 3.705,1156 3.543,1157 7.433,1158 3.579,1159 3.52,1160 3.55,1161 3.47,1162 3.26,1163 7.424,1164 3.306,1165 3.298,1166 3.345,1167 3.201,1168 3.099,1169 7.416,1170 3.114,1171 3.195,1172 3.27,1173 3.061,1174 3.051,1175 6.35,1176 3.039,1177 3.016,1178 3.095,1179 2.877,1180 2.855,1181 5.077,1182 2.853,1183 0.125,1184 0.126,1185 0.207,1186 0.12,1187 0.095,1188 4.618,1189 0.106,1190 4.657,1191 0.097,1192 7.646,1193 0.361,1194 4.433,1195 0.088,1196 3.505,1197 3.937,1198 3.59,1199 13.367,1200 3.246,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.926,1208 1.898,1209 2.05,1210 2.02,1211 1.161,1212 2.031,1213 1.708,1214 1.67,1215 1.821,1216 1.898,1217 0.95,1218 1.884,1219 1.627,1220 1.603,1221 1.741,1222 1.843,1223 0.875,1224 1.805,1225 1.373,1226 1.346,1227 1.537,1228 1.665,1229 0.63,1230 1.608,1231 1.23,1232 1.188,1233 1.531,1234 1.479,1235 0.568,1236 1.473,1237 1.209,1238 1.14,1239 1.379,1240 1.418,1241 0.406,1242 1.456,1243 0.98,1244 0.925,1245 1.192,1246 1.232,1247 0.239,1248 1.224,1249 4.317,1251 5.659,1253 7.192,1255 8.809,1257 10.47,1259 1.818,1261 28.056,1263 5.669,1264 8.797,1265 -1.083,1266 2.151,1270 -1.872,1271 0.957,1272 -4.727,1273 37.694,1274 102.718,1275 229.971,1276 278.436,1277 302.965,1278 311.72,1279 311.72,1280 130.688,1281 7.394,1282 144.38,1283 144.38,1284 18,1285 12.73,1286 4.248,1287 3.7,1288 69.946,1289 149,1290 135,1291 0.226,1292 233.232,1293 433.29,1294 560.847,1295 15668,1296 3.5,1297 25.75,1298 0.736,1299 0.531,1300 23.957,1301 18.573,1302 16.501,1303 0.446,1304 0.281,1305 10.225,1306 15.737,1307 10.025,1308 8.285,1309 15.74,1310 10.415,1311 15.614,1312 0.295,1313 0.148,1314 14.457,1315 7.852,1316 12.77,1317 0.191,1318 0.077,1319 11.049,1320 5.164,1321 9.155,1322 0.116,1323 0.043,1324 9.014,1325 3.436,1326 7.238,1327 0.075,1328 0.023,1329 7.2,1330 2.238,1331 0.35,1332 105.081,1333 0.208,1334 31.726,1335 0.636,1336 180,1337 752.249,1338 209.232,1339 665.587,1340 852.93,1341 610,1342 210,1343 582.045,1344 240.012,1345 574.58,1346 850.16,1347 537,1348 4.747}
{0 CHEMBL25169,1 1.814,2 12.59,3 0.188,4 0.035,5 136.101,6 8.317,7 0.293,8 4.272,9 4.393,10 3.89,11 3.757,12 5.554,13 3.777,14 4.786,15 4.941,16 4.298,17 4.12,18 6.225,19 4.13,20 5.082,21 5.248,22 4.453,23 4.264,24 6.707,25 4.263,26 5.172,27 5.378,28 4.399,29 4.263,30 6.562,31 4.263,32 5.162,33 5.339,34 4.503,35 4.281,36 6.744,37 4.308,38 5.231,39 5.416,40 4.577,41 4.304,42 6.91,43 4.342,44 5.23,45 5.408,46 4.48,47 4.306,48 6.794,49 4.325,50 5.237,51 5.446,52 4.412,53 4.28,54 6.668,55 4.28,56 0.26,57 1.107,58 10.782,59 5.374,60 47.889,61 6.3,62 0.776,63 1.84,64 21.316,65 9.042,66 123.371,67 11.078,68 1.561,69 2.037,70 31.997,71 11.527,72 270.392,73 14.194,74 1.485,75 2.156,76 39.336,77 11.985,78 253.543,79 15.078,80 1.565,81 2.306,82 36.692,83 12.433,84 288.668,85 14.198,86 1.882,87 2.325,88 40.918,89 12.341,90 338.381,91 14.921,92 1.76,93 2.397,94 40.115,95 12.845,96 298.421,97 14.289,98 1.636,99 2.189,100 43.288,101 13.03,102 286.086,103 16.091,105 107,106 58,107 0.287,108 0.62,109 0.775,110 0.871,111 0.892,112 0.892,113 3.693,114 0.852,115 -2.09,116 -2.14,117 -2.12,120 40,121 1,122 1,126 2,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 2,159 2,160 2,165 14,167 2,168 2,170 1,171 3,173 1,176 16,181 1,182 5,184 3,185 6,186 1,187 1,189 1,190 10,194 2,195 7,198 1,200 2,203 2,206 4,207 12,209 1,210 4,211 1,212 5,217 1,219 1,220 10,222 1,223 1,224 1,225 6,226 1,229 2,230 2,231 13,233 1,234 2,236 6,239 1,242 2,244 3,245 11,248 2,249 1,250 8,252 1,253 3,256 4,258 9,260 1,261 1,263 3,266 6,268 2,270 3218,271 25.1,272 25.1,273 25.1,274 25.1,275 25.1,276 22.455,277 24.981,278 14.657,279 25.372,280 20.141,281 20.141,282 20.141,283 20.141,284 20.141,285 16.043,286 21.979,287 6.944,288 20.604,289 4.208,290 2.105,291 1.12,292 0.516,293 0.381,294 0.381,295 4.365,303 1013,304 5.431,307 447.892,313 1.673,314 87.731,317 0.25,318 0.33,319 0.33,320 0.7,322 0.17,324 0.25,325 89,326 491,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 1.974,343 10.975,344 3.034,345 4.042,346 3.602,347 5.987,348 3.678,349 2.695,350 3.518,351 1.943,352 8.351,353 2.649,354 3.946,355 3.53,356 5.958,357 3.642,358 2.646,359 3.451,360 1.896,361 8.231,362 2.623,363 3.73,364 3.424,365 5.321,366 3.39,367 2.391,368 2.94,369 1.267,370 6.736,371 2.379,372 3.6,373 3.054,374 5.275,375 3.26,376 2.252,377 2.882,378 1.25,379 6.363,380 2.257,381 3.556,382 2.883,383 5.053,384 3.191,385 2.202,386 2.727,387 0.78,388 5.872,389 2.171,390 3.419,391 2.675,392 4.83,393 3.076,394 2.06,395 2.56,396 0.316,397 5.283,398 2.081,399 3.097,400 2.544,401 4.673,402 2.671,403 1.7,404 2.145,405 0.205,406 4.796,407 1.635,408 2.945,409 2.142,410 4.496,411 2.547,412 1.556,413 2.085,414 0.151,415 4.035,416 1.53,417 2.915,418 1.988,419 4.21,420 2.389,421 1.414,422 2.01,424 3.659,425 1.372,426 2.717,427 1.849,428 3.695,429 2.351,430 1.376,431 1.698,433 3.048,434 1.32,435 2.61,436 1.491,437 3.526,438 2.118,439 1.126,440 1.637,442 2.542,443 1.114,444 2.5,445 1.475,446 3.477,447 2,448 1,449 1.5,451 2.136,452 1,453 2.163,454 1.438,455 3.247,456 1.719,457 0.702,458 0.898,460 1.805,461 0.693,462 17.638,463 0.452,464 1.277,465 0.033,466 47.5,467 1.218,468 22.5,469 0.577,470 25,471 0.641,472 36.828,473 0.944,474 43.562,475 0.67,476 51.445,477 1.319,478 10.236,479 0.262,480 8.159,481 0.209,482 0.201,483 0.028,484 0.335,486 2,490 0.67,491 1.131,492 0.709,493 1.044,494 0.629,495 0.908,496 0.591,497 1.11,498 0.721,499 1.109,500 0.593,501 0.994,502 0.717,503 0.957,504 0.931,505 1.096,506 0.814,507 1.104,508 1.092,509 0.975,510 0.988,511 0.915,512 1.094,513 0.91,514 1.209,515 1.27,516 1.029,517 1.09,518 1.183,519 1.014,520 1.084,521 1.022,522 0.901,523 0.913,524 1.039,525 0.856,526 1.443,527 1.231,528 1.237,529 1.109,530 1.422,531 1.099,532 1.181,533 0.981,534 1.019,535 0.907,536 1.215,537 0.91,538 10,539 0.421,540 5.556,541 3.313,542 2.698,543 1.958,544 1.282,545 0.941,546 0.703,547 0.664,548 20995,549 74858,550 1.931,551 40,552 3,553 14,554 1,556 6,558 2,560 1.802,561 1.753,562 3.586,563 3.042,569 117.912,570 1.814,571 3.917,572 4.902,573 5.507,574 5.642,575 5.642,576 2.98,577 5.029,578 5.258,579 3.787,580 2805.93,581 9.319,582 47340.5,587 391.454,588 1.69,589 5.174,590 0.244,591 0.007,592 0.096,593 0.053,594 0.044,595 0.029,596 0.018,597 0.015,598 0.012,599 0.011,600 0.528,601 0.17,602 0.63,603 1.452,604 216.191,605 -0.093,606 -0.047,607 -0.009,608 0.037,609 -0.094,610 0.052,611 0.166,612 -0.013,613 0.098,614 -0.058,615 0.104,616 -0.021,617 0.252,618 0.062,619 -0.019,620 -0.098,621 0.158,622 -0.156,623 -0.076,624 0.007,625 0.004,626 0.051,627 -0.089,628 0.058,629 -0.025,630 -0.075,631 -0.049,632 -0.084,633 -0.012,634 -0.074,635 0.075,636 0.007,637 0.101,638 0.046,639 0.14,640 0.076,641 -0.169,642 -0.026,643 -0.235,644 -0.114,645 -0.142,646 -0.174,647 -0.115,648 -0.05,649 0.001,650 0.052,651 -0.12,652 0.062,653 5.857,654 6.785,655 0.462,656 41.525,657 1.031,658 1.143,659 0.864,660 0.747,661 0.655,662 3.738,663 4.078,664 4.29,665 4.466,666 4.673,667 4.718,668 4.745,669 4.836,670 4.883,671 4.927,672 7.744,673 0.65,674 540.58,675 3.738,676 5.293,677 6.129,678 7.006,679 7.866,680 8.748,681 9.618,682 10.505,683 11.38,684 12.269,685 9.2,686 1,692 4,694 1,699 9,704 3,706 12,720 65,723 19,724 2,725 41,727 67,728 26,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 20,750 6,754 7,759 5,761 1,762 1,763 7,766 2,768 26,769 13,770 6,771 13,775 6,776 1,780 1,781 5,789 3,798 1,799 1,800 2,801 1,805 1,807 1,813 3,817 1,819 2,821 39,822 2,828 3,829 2,833 1,834 1,835 1,839 2,840 7.7,843 5,847 22.25,848 11.602,849 8.556,850 3.471,851 2.396,852 1.317,853 0.956,854 9.547,855 9.946,856 4.007,857 4.533,858 4.963,859 5.353,860 5.83,861 5.907,862 6.181,863 6.431,864 6.669,865 6.794,866 1,867 63,868 15.311,870 7.554,871 8.442,872 25.88,874 20.686,877 2.942,878 114.75,882 235.422,883 150.322,884 121.726,886 125.725,887 29.92,889 150.322,890 361.147,891 151.646,892 8.825,893 120.734,894 85.286,895 154.761,896 58.087,897 11.771,898 223.651,900 235.422,901 272.048,902 155.645,905 211.88,906 179.187,908 1.824,909 137.297,910 130.17,911 2.757,913 265.342,914 247.45,915 150.322,918 237.246,919 45.339,920 106.283,921 36.022,922 238.225,923 235.422,924 277.371,925 150.322,927 0.59,928 0.335,929 0.163,930 0.093,931 24,932 14,933 0.164,934 11,936 1,937 4.538,938 377.998,940 18,941 198.131,945 29.465,946 12.636,947 7.487,949 277.371,950 14.861,955 1.752,957 101.816,958 663.115,959 54,964 61.562,966 1.14,967 4.163,968 -6.953,969 66.992,970 74.283,971 0.301,972 0.65,973 0.814,974 0.914,975 0.937,976 0.937,977 5.268,978 2.06,979 6.159,980 5.872,981 4.762,982 5.22,983 3.827,984 7.008,985 4.713,986 6.487,987 1.7,988 7.762,989 5.283,990 4.575,991 5.085,992 3.845,993 8.204,994 4.459,995 7.805,996 1.556,997 9.481,998 4.796,999 6.431,1000 7.287,1001 5.476,1002 11.282,1003 6.301,1004 9.155,1005 1.414,1006 11.273,1007 4.035,1008 7.04,1009 7.874,1010 6.361,1011 13.348,1012 6.819,1013 10.535,1014 1.376,1015 13.116,1016 3.659,1017 8.45,1018 9.626,1019 7.682,1020 16.058,1021 8.198,1022 11.938,1023 1.126,1024 14.998,1025 3.048,1026 9.408,1027 10.544,1028 8.845,1029 18.452,1030 9.057,1031 13.359,1032 1,1033 16.91,1034 2.542,1035 10.676,1036 12.11,1037 10.111,1038 21.067,1039 10.275,1040 3.517,1041 0.702,1042 18.845,1043 2.136,1044 11.788,1045 13.201,1046 11.347,1047 23.583,1048 11.292,1049 3.173,1050 13.509,1051 20.799,1052 1.805,1053 13.018,1054 14.673,1055 12.606,1056 26.175,1057 12.457,1058 2.695,1059 10.975,1060 22.768,1061 3.937,1062 14.197,1063 15.864,1064 13.859,1065 28.738,1066 13.547,1067 2.646,1068 8.351,1069 24.749,1070 3.813,1071 15.422,1072 17.284,1073 15.118,1074 31.328,1075 14.699,1076 2.391,1077 8.231,1078 26.74,1079 3.518,1080 16.633,1081 18.535,1082 16.376,1083 33.91,1084 15.825,1085 2.252,1086 6.736,1087 28.738,1088 3.451,1089 17.861,1090 19.925,1091 17.636,1092 36.503,1093 16.977,1094 2.202,1095 6.363,1096 30.743,1097 2.94,1098 19.088,1099 21.214,1100 18.895,1101 39.094,1102 18.122,1103 20914,1104 39717,1105 25.66,1106 42.557,1107 63.082,1108 65.176,1109 64.238,1110 61.252,1111 61.114,1112 77.485,1113 26.616,1114 178.182,1115 59.724,1116 5.604,1117 6.65,1118 7.47,1119 5.518,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.271,1125 26.608,1126 1.539,1127 1.59,1128 1.567,1129 1.494,1130 1.491,1131 1.89,1132 0.649,1133 4.346,1134 1.457,1135 4.006,1136 4.041,1137 3.959,1138 3.913,1139 8.363,1140 3.915,1141 3.932,1142 3.963,1143 3.873,1144 3.863,1145 7.999,1146 3.858,1147 3.795,1148 3.827,1149 3.753,1150 3.62,1151 7.442,1152 3.648,1153 3.76,1154 3.797,1155 3.711,1156 3.563,1157 7.432,1158 3.6,1159 3.618,1160 3.668,1161 3.539,1162 3.378,1163 7.426,1164 3.41,1165 3.476,1166 3.51,1167 3.423,1168 3.223,1169 7.423,1170 3.262,1171 3.286,1172 3.341,1173 3.189,1174 3.081,1175 7.411,1176 3.097,1177 3.195,1178 3.27,1179 3.061,1180 3.049,1181 5.077,1182 3.038,1183 0.113,1184 0.113,1185 0.187,1186 0.109,1187 0.086,1188 4.631,1189 0.096,1190 4.65,1191 0.086,1192 7.668,1193 0.329,1194 4.449,1195 0.08,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.161,1212 2.031,1213 1.71,1214 1.673,1215 1.823,1216 1.908,1217 0.953,1218 1.888,1219 1.651,1220 1.622,1221 1.764,1222 1.882,1223 0.882,1224 1.85,1225 1.519,1226 1.467,1227 1.704,1228 1.779,1229 0.824,1230 1.756,1231 1.345,1232 1.31,1233 1.537,1234 1.627,1235 0.63,1236 1.58,1237 1.218,1238 1.165,1239 1.527,1240 1.472,1241 0.568,1242 1.468,1243 1.202,1244 1.139,1245 1.365,1246 1.418,1247 0.413,1248 1.451,1249 4.419,1251 5.753,1253 7.272,1255 8.877,1257 10.529,1259 1.815,1261 29.57,1263 10.571,1265 -2.012,1266 3.802,1270 -1.874,1271 0.96,1272 -4.607,1273 42.264,1274 117.912,1275 254.612,1276 318.66,1277 357.944,1278 366.699,1279 366.699,1280 169.303,1281 7.55,1282 179.27,1283 179.27,1284 18,1285 12.801,1286 4.322,1287 3.807,1288 83.172,1289 178,1290 189,1291 0.22,1292 263.078,1293 487.25,1294 633.671,1295 19079,1296 3.1,1297 28.742,1298 0.737,1299 0.534,1300 26.949,1301 20.818,1302 18.395,1303 0.449,1304 0.284,1305 11.422,1306 17.523,1307 11.201,1308 9.263,1309 17.634,1310 11.642,1311 17.332,1312 0.299,1313 0.15,1314 16.139,1315 8.695,1316 13.729,1317 0.191,1318 0.078,1319 12.217,1320 5.604,1321 10.034,1322 0.117,1323 0.043,1324 9.641,1325 3.721,1326 8.045,1327 0.076,1328 0.023,1329 7.966,1330 2.42,1331 0.342,1332 117.187,1333 0.197,1334 34.774,1335 0.613,1336 198,1337 815.48,1338 229.981,1339 726.352,1340 930.21,1341 666,1342 229,1343 633.187,1344 261.235,1345 625.876,1346 921.18,1347 585,1348 5.842}
{0 CHEMBL25199,1 1.77,2 13.756,3 0.742,4 0.551,5 145.746,6 8.009,7 0.279,8 4.35,9 4.473,10 3.94,11 3.831,12 5.583,13 3.84,14 4.879,15 5.048,16 4.336,17 4.19,18 6.247,19 4.188,20 5.167,21 5.35,22 4.496,23 4.331,24 6.733,25 4.321,26 5.24,27 5.444,28 4.45,29 4.331,30 6.617,31 4.326,32 5.247,33 5.432,34 4.537,35 4.348,36 6.781,37 4.364,38 5.305,39 5.504,40 4.614,41 4.369,42 6.911,43 4.395,44 5.294,45 5.472,46 4.554,47 4.373,48 6.835,49 4.393,50 5.329,51 5.535,52 4.5,53 4.353,54 6.779,55 4.361,56 0.221,57 1.184,58 12.688,59 6.018,60 37.112,61 7.419,62 0.778,63 1.959,64 25.427,65 9.898,66 109.415,67 12.768,68 1.582,69 2.166,70 37.502,71 12.544,72 261.343,73 16.328,74 1.443,75 2.279,76 42.803,77 12.897,78 240.947,79 16.625,80 1.592,81 2.441,82 42.005,83 13.343,84 278.881,85 15.968,86 1.857,87 2.455,88 46.086,89 13.276,90 304.016,91 17.002,92 1.675,93 2.572,94 44.076,95 13.804,96 270.912,97 15.998,98 1.735,99 2.509,100 48.676,101 14.269,102 293.239,103 17.2,105 109,106 60,107 0.275,108 0.608,109 0.785,110 0.869,111 0.892,112 0.892,113 3.741,114 0.884,115 -2.49,116 -2.51,117 -2.46,120 39.4,121 2,122 1,126 3,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,165 14,167 2,168 2,171 3,173 2,176 16,181 1,182 5,184 3,185 6,186 1,187 1,190 10,194 2,195 8,198 1,200 2,203 2,206 4,207 12,210 4,211 1,212 6,217 1,219 1,220 10,222 1,223 1,224 1,225 6,226 1,229 2,230 2,231 14,234 2,236 6,239 1,242 2,244 3,245 11,248 2,249 1,250 8,253 3,256 3,258 10,260 1,261 1,263 3,266 6,268 1,270 3869,271 26.678,272 26.678,273 26.678,274 26.678,275 26.678,276 24.085,277 28.11,278 15.725,279 27.045,280 21.09,281 21.09,282 21.09,283 21.09,284 21.09,285 17.01,286 25.275,287 7.361,288 21.643,289 4.379,290 2.241,291 1.103,292 0.567,293 0.416,294 0.416,295 4.415,303 1163,304 5.612,307 477.671,313 2.104,314 89.342,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 93,326 564,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 1.976,343 10.975,344 3.034,345 4.042,346 3.613,347 5.988,348 3.679,349 2.695,350 3.518,351 1.958,352 8.352,353 2.65,354 3.946,355 3.572,356 5.958,357 3.642,358 2.646,359 3.451,360 1.899,361 8.231,362 2.624,363 3.733,364 3.43,365 5.322,366 3.399,367 2.399,368 2.943,369 1.268,370 6.738,371 2.389,372 3.655,373 3.054,374 5.276,375 3.359,376 2.361,377 2.887,378 1.25,379 6.372,380 2.342,381 3.59,382 2.884,383 5.075,384 3.201,385 2.215,386 2.82,387 0.78,388 6.108,389 2.181,390 3.434,391 2.676,392 5.009,393 3.091,394 2.077,395 2.579,396 0.318,397 5.825,398 2.095,399 3.098,400 2.544,401 4.8,402 2.676,403 1.709,404 2.145,405 0.284,406 4.847,407 1.638,408 2.947,409 2.142,410 4.55,411 2.561,412 1.582,413 2.086,414 0.155,415 4.172,416 1.538,417 2.915,418 1.988,419 4.21,420 2.389,421 1.414,422 2.01,423 0.038,424 3.659,425 1.372,426 2.722,427 1.849,428 3.723,429 2.366,430 1.392,431 1.708,433 3.055,434 1.335,435 2.61,436 1.514,437 3.541,438 2.118,439 1.126,440 1.638,442 2.542,443 1.114,444 2.5,445 1.491,446 3.478,447 2.036,448 1.061,449 1.5,451 2.136,452 1.026,453 2.182,454 1.475,455 3.247,456 2,457 1,458 1.119,460 1.972,461 1,462 18.638,463 0.455,464 1.239,465 0.03,466 48.75,467 1.189,468 22.5,469 0.549,470 26.25,471 0.64,472 40.667,473 0.992,474 46.162,475 0.65,476 53.231,477 1.298,478 10.396,479 0.254,480 9.037,481 0.22,482 0.195,483 0.027,484 0.317,486 2,490 0.652,491 1.199,492 0.729,493 1.114,494 0.594,495 0.968,496 0.601,497 1.118,498 0.75,499 1.1,500 0.597,501 0.995,502 0.713,503 0.931,504 0.887,505 1.036,506 0.79,507 1.027,508 1.153,509 1.017,510 1.004,511 0.951,512 1.179,513 0.933,514 1.277,515 1.261,516 1.06,517 1.065,518 1.275,519 1.005,520 1.078,521 1.001,522 0.865,523 0.875,524 1.057,525 0.811,526 1.485,527 1.291,528 1.182,529 1.121,530 1.515,531 1.069,532 1.457,533 1.14,534 1.097,535 0.918,536 1.493,537 0.902,538 10,539 0.438,540 5.778,541 3.438,542 2.698,543 2.014,544 1.404,545 1.035,546 0.727,547 0.664,548 24437,549 80936,550 1.934,551 42.3,552 3,553 16,554 1,556 5,558 5,560 1.813,561 1.763,562 3.689,563 2.208,569 125.7,570 1.77,571 3.909,572 5.047,573 5.583,574 5.734,575 5.734,576 3.195,577 5.114,578 5.328,579 3.896,580 3194.89,581 9.458,582 56106.7,587 436.632,588 1.667,589 5.251,590 0.233,591 0.007,592 0.096,593 0.052,594 0.042,595 0.029,596 0.019,597 0.015,598 0.011,599 0.01,600 0.514,601 0.17,602 0.63,603 1.673,604 231.52,605 -0.075,606 -0.093,607 0.004,608 -0.007,609 -0.075,610 0.023,611 0.162,612 -0.021,613 0.101,614 -0.053,615 0.093,616 -0.011,617 0.267,618 0.084,619 0.051,620 -0.045,621 0.186,622 -0.071,623 -0.08,624 -0.018,625 -0.014,626 0.018,627 -0.094,628 0.022,629 -0.037,630 -0.072,631 -0.062,632 -0.071,633 -0.03,634 -0.071,635 0.1,636 0.03,637 0.149,638 0.076,639 0.14,640 0.121,641 -0.145,642 -0.076,643 -0.171,644 -0.123,645 -0.135,646 -0.146,647 -0.176,648 -0.05,649 -0.051,650 0.047,651 -0.169,652 0.038,653 5.832,654 6.991,655 0.439,656 48.118,657 1.025,658 1.142,659 1.258,660 1.582,661 0.649,662 3.784,663 4.111,664 4.331,665 4.5,666 4.691,667 4.745,668 4.787,669 4.875,670 4.913,671 4.956,672 8.207,673 0.638,674 568.64,675 3.784,676 5.333,677 6.168,678 7.04,679 7.898,680 8.777,681 9.645,682 10.529,683 11.402,684 12.289,685 8.5,686 1,692 4,694 1,699 9,704 3,706 12,720 71,723 19,724 2,725 43,727 73,728 28,729 12,730 3,731 9,732 4,735 3,736 3,741 2,743 1,748 3,749 20,750 8,754 7,759 5,761 1,762 1,763 7,766 2,768 30,769 13,770 5,771 13,775 6,776 1,780 1,781 5,789 3,798 1,800 3,801 1,805 1,807 1,813 3,817 2,819 2,821 41,822 1,828 4,829 3,833 1,834 1,835 1,839 2,840 7,843 5,847 23.25,848 13.019,849 9.139,850 4.076,851 2.356,852 1.309,853 0.948,854 10.734,855 9.978,856 4.043,857 4.554,858 4.99,859 5.372,860 5.836,861 5.918,862 6.194,863 6.441,864 6.676,865 6.799,866 1,867 66,868 16.08,870 7.804,871 8.348,872 27.536,874 21.882,877 2.848,878 116.75,882 294.278,883 161.253,884 106.839,886 125.725,887 29.92,889 161.253,890 420.002,891 136.76,892 17.65,893 107.953,894 85.286,895 154.761,896 58.087,897 11.771,898 282.506,900 294.278,901 268.093,902 155.645,905 235.422,906 214.5,908 1.824,909 133.341,910 130.17,911 2.757,913 324.198,914 232.564,915 161.253,918 296.102,919 47.445,920 115.108,921 54.032,922 205.328,923 294.278,924 262.484,925 161.253,927 0.584,928 0.338,929 0.166,930 0.089,931 24,932 14,933 0.164,934 12,936 1,937 4.713,938 401.284,940 18,941 211.66,945 31.437,946 14,947 8.212,949 262.484,950 14.963,955 1.779,957 86.929,958 718.015,959 56,964 62.777,966 1.149,967 4.181,968 -6.456,969 72.76,970 81.114,971 0.288,972 0.636,973 0.821,974 0.908,975 0.932,976 0.932,977 5.298,978 2.077,979 6.188,980 6.108,981 4.796,982 5.242,983 3.834,984 7.031,985 4.743,986 6.508,987 1.709,988 7.786,989 5.825,990 4.575,991 5.085,992 3.845,993 8.214,994 4.459,995 7.822,996 1.582,997 9.501,998 4.847,999 6.457,1000 7.301,1001 5.48,1002 11.294,1003 6.323,1004 9.169,1005 1.414,1006 11.29,1007 4.172,1008 7.048,1009 7.882,1010 6.363,1011 13.353,1012 6.828,1013 10.548,1014 1.392,1015 13.131,1016 3.659,1017 8.468,1018 9.636,1019 7.684,1020 16.062,1021 8.215,1022 11.95,1023 1.126,1024 15.01,1025 3.055,1026 9.417,1027 10.552,1028 8.846,1029 18.454,1030 9.068,1031 13.371,1032 1.061,1033 16.919,1034 2.542,1035 10.687,1036 12.117,1037 10.112,1038 21.068,1039 10.287,1040 3.517,1041 1,1042 18.852,1043 2.136,1044 11.795,1045 13.207,1046 11.347,1047 23.583,1048 11.301,1049 3.173,1050 13.509,1051 20.804,1052 1.972,1053 13.024,1054 14.678,1055 12.606,1056 26.176,1057 12.465,1058 2.695,1059 10.975,1060 22.772,1061 3.937,1062 14.202,1063 15.868,1064 13.859,1065 28.738,1066 13.554,1067 2.646,1068 8.352,1069 24.752,1070 3.813,1071 15.425,1072 17.287,1073 15.118,1074 31.328,1075 14.704,1076 2.399,1077 8.231,1078 26.742,1079 3.518,1080 16.635,1081 18.538,1082 16.376,1083 33.91,1084 15.829,1085 2.361,1086 6.738,1087 28.74,1088 3.451,1089 17.863,1090 19.927,1091 17.636,1092 36.503,1093 16.981,1094 2.215,1095 6.372,1096 30.744,1097 2.943,1098 19.089,1099 21.215,1100 18.895,1101 39.094,1102 18.125,1103 24353,1104 44549,1105 27.046,1106 46.08,1107 65.469,1108 67.828,1109 67.033,1110 63.687,1111 63.56,1112 79.893,1113 26.901,1114 183.571,1115 61.998,1116 5.608,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.271,1125 27.536,1126 1.523,1127 1.577,1128 1.559,1129 1.481,1130 1.478,1131 1.858,1132 0.626,1133 4.269,1134 1.442,1135 4.007,1136 4.042,1137 3.959,1138 3.913,1139 8.363,1140 3.915,1141 3.932,1142 3.963,1143 3.874,1144 3.863,1145 7.999,1146 3.858,1147 3.798,1148 3.832,1149 3.755,1150 3.621,1151 7.439,1152 3.649,1153 3.764,1154 3.805,1155 3.712,1156 3.567,1157 7.428,1158 3.603,1159 3.668,1160 3.72,1161 3.582,1162 3.444,1163 7.425,1164 3.466,1165 3.525,1166 3.579,1167 3.458,1168 3.282,1169 7.423,1170 3.313,1171 3.372,1172 3.432,1173 3.236,1174 3.166,1175 7.411,1176 3.171,1177 3.244,1178 3.303,1179 3.103,1180 3.056,1181 5.077,1182 3.055,1183 0.108,1184 0.108,1185 0.178,1186 0.103,1187 0.082,1188 4.631,1189 0.092,1190 4.65,1191 0.082,1192 7.668,1193 0.314,1194 4.449,1195 0.076,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.161,1212 2.031,1213 1.71,1214 1.673,1215 1.866,1216 1.919,1217 1.009,1218 1.896,1219 1.661,1220 1.627,1221 1.822,1222 1.891,1223 0.952,1224 1.877,1225 1.591,1226 1.532,1227 1.75,1228 1.824,1229 0.88,1230 1.805,1231 1.434,1232 1.375,1233 1.662,1234 1.702,1235 0.812,1236 1.69,1237 1.318,1238 1.266,1239 1.537,1240 1.566,1241 0.63,1242 1.553,1243 1.214,1244 1.145,1245 1.525,1246 1.436,1247 0.568,1248 1.464,1249 4.466,1251 5.79,1253 7.303,1255 8.904,1257 10.552,1259 3.425,1261 29.982,1263 5.73,1265 -1.627,1266 6.314,1270 -1.859,1271 0.973,1272 -4.582,1273 45.317,1274 125.7,1275 277.551,1276 358.328,1277 396.367,1278 407.122,1279 407.122,1280 184.983,1281 7.622,1282 165.28,1283 165.28,1284 18,1285 12.823,1286 4.322,1287 3.807,1288 90.245,1289 195,1290 251,1291 0.214,1292 282.263,1293 521.85,1294 680.482,1295 21100,1296 2.8,1297 30.156,1298 0.736,1299 0.548,1300 28.363,1301 22.448,1302 19.433,1303 0.452,1304 0.295,1305 12.434,1306 18.526,1307 12.162,1308 10.096,1309 18.672,1310 12.664,1311 17.832,1312 0.297,1313 0.153,1314 16.639,1315 9.183,1316 14.426,1317 0.192,1318 0.08,1319 12.914,1320 5.964,1321 10.622,1322 0.119,1323 0.045,1324 10.229,1325 3.973,1326 8.199,1327 0.076,1328 0.023,1329 8.11,1330 2.508,1331 0.335,1332 123.58,1333 0.192,1334 36.353,1335 0.592,1336 206,1337 828.501,1338 238.674,1339 737.137,1340 948.53,1341 678,1342 238,1343 648.032,1344 271.233,1345 639.543,1346 943.18,1347 599,1348 5.854}
{0 CHEMBL25833,1 1.698,2 13.833,3 2.704,4 7.311,5 152.657,6 8.08,7 0.4,8 4.353,9 4.469,10 3.964,11 3.895,12 5.578,13 3.894,14 4.871,15 5.024,16 4.359,17 4.264,18 6.224,19 4.251,20 5.165,21 5.339,22 4.51,23 4.4,24 6.701,25 4.372,26 5.26,27 5.473,28 4.444,29 4.373,30 6.588,31 4.349,32 5.24,33 5.431,34 4.532,35 4.376,36 6.713,37 4.383,38 5.289,39 5.478,40 4.617,41 4.399,42 6.831,43 4.428,44 5.308,45 5.483,46 4.587,47 4.404,48 6.846,49 4.431,50 5.322,51 5.526,52 4.512,53 4.387,54 6.762,55 4.39,56 0.156,57 1.166,58 12.159,59 6.253,60 28.824,61 7.404,62 0.623,63 1.994,64 23.635,65 10.421,66 89.938,67 12.741,68 1.324,69 2.3,70 35.369,71 13.559,72 226.542,73 17.016,74 1.263,75 2.434,76 43.418,77 14.091,78 209.474,79 17.665,80 1.287,81 2.545,82 41.201,83 14.103,84 219.669,85 16.256,86 1.364,87 2.568,88 43.726,89 14.17,90 219.954,91 16.449,92 1.475,93 2.841,94 44.135,95 14.714,96 225.076,97 15.349,98 1.466,99 2.629,100 47.54,101 15.16,102 252.712,103 17.31,105 65,106 63,107 0.262,108 0.571,109 0.716,110 0.819,111 0.865,112 0.878,113 3.765,114 0.871,115 -3.97,116 -3.92,117 -3.72,120 43.7,121 1,122 1,126 2,128 1,131 1,137 1,138 1,140 14,141 4,151 1,153 4,158 1,159 1,160 1,165 20,167 2,168 2,171 2,173 2,176 22,181 1,182 5,184 3,185 5,187 3,190 13,194 2,195 8,198 1,200 4,203 2,206 3,207 14,210 3,211 1,212 6,217 1,219 1,220 13,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 16,234 1,236 7,239 2,242 2,244 3,245 12,248 1,250 9,253 6,256 3,258 10,260 1,261 1,263 4,266 12,268 1,270 4152,271 27.669,272 27.669,273 27.669,274 27.669,275 27.669,276 24.48,277 26.897,278 16.309,279 27.965,280 22.141,281 22.141,282 22.141,283 22.141,284 22.141,285 17.32,286 26.863,287 7.745,288 22.642,289 4.452,290 2.449,291 1.512,292 0.845,293 0.546,294 0.461,295 4.451,302 1,303 1231,304 5.196,307 659.806,313 2.127,314 82.11,317 0.75,318 0.5,319 0.67,320 0.5,321 0.5,322 0.67,323 0.5,324 0.58,325 93.5,326 581,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.814,342 1.973,343 10.975,344 3.034,345 4.042,346 3.597,347 5.988,348 3.68,349 2.697,350 3.518,351 1.905,352 8.352,353 2.65,354 3.949,355 3.441,356 5.958,357 3.643,358 2.646,359 3.455,360 1.274,361 8.231,362 2.626,363 3.894,364 3.054,365 5.361,366 3.511,367 2.518,368 3.439,369 1.251,370 6.988,371 2.5,372 3.725,373 2.908,374 5.306,375 3.385,376 2.387,377 2.938,378 0.78,379 6.729,380 2.373,381 3.594,382 2.717,383 5.271,384 3.204,385 2.217,386 2.878,387 0.532,388 6.355,389 2.185,390 3.446,391 2.661,392 5.047,393 3.098,394 2.084,395 2.598,396 0.315,397 5.851,398 2.102,399 3.1,400 2.544,401 4.807,402 2.69,403 1.727,404 2.158,405 0.155,406 4.861,407 1.649,408 2.974,409 2.142,410 4.558,411 2.598,412 1.625,413 2.112,415 4.234,416 1.571,417 2.915,418 1.988,419 4.21,420 2.465,421 1.459,422 2.059,424 3.659,425 1.466,426 2.903,427 1.849,428 3.76,429 2.389,430 1.414,431 2.01,433 3.121,434 1.372,435 2.708,436 1.646,437 3.603,438 2.328,439 1.348,440 1.695,442 3.014,443 1.301,444 2.61,445 1.491,446 3.512,447 2.118,448 1.126,449 1.637,451 2.542,452 1.114,453 2.5,454 1.475,455 3.477,456 2,457 1,458 1.5,460 2.136,461 1,462 19.405,463 0.462,464 1.201,465 0.029,466 53.5,467 1.274,468 27,469 0.643,470 26.5,471 0.631,472 39.408,473 0.938,474 45.395,475 0.639,476 55.698,477 1.326,478 11.344,479 0.27,480 8.713,481 0.207,482 0.145,483 0.026,484 0.304,486 2,490 0.623,491 1.073,492 0.712,493 1.011,494 0.59,495 0.905,496 0.596,497 1.072,498 0.779,499 1.08,500 0.605,501 1.002,502 0.635,503 1.009,504 0.904,505 1.13,506 0.718,507 1.111,508 1.122,509 0.992,510 1.01,511 0.939,512 1.142,513 0.938,514 1.337,515 1.222,516 1.044,517 1.025,518 1.322,519 0.96,520 1.332,521 1.118,522 0.918,523 0.906,524 1.298,525 0.814,526 1.816,527 1.37,528 1.261,529 1.089,530 1.827,531 1.031,532 1.56,533 1.136,534 1.105,535 0.897,536 1.59,537 0.878,538 9.5,539 0.43,540 5.556,541 3.25,542 2.689,543 2.049,544 1.446,545 1.082,546 0.748,547 0.644,548 27905,549 84824,550 2.001,551 40.8,552 3,553 19,554 1,556 4,558 2,560 1.819,561 1.846,562 3.709,563 1.415,569 120.561,570 1.698,571 3.701,572 4.638,573 5.304,574 5.604,575 5.688,576 3.204,577 5.011,578 5.363,579 3.924,580 3378.73,581 9.526,582 60386.3,587 436.632,588 1.6,589 5.302,590 0.211,591 0.006,592 0.088,593 0.048,594 0.042,595 0.029,596 0.019,597 0.015,598 0.011,599 0.01,600 0.479,601 0.17,602 0.75,603 0.584,604 238.966,605 -0.058,606 -0.042,607 0.011,608 0.022,609 -0.078,610 0.037,611 0.168,612 -0.003,613 0.053,614 -0.069,615 0.089,616 -0.051,617 0.325,618 -0.007,619 0.02,620 -0.149,621 0.239,622 -0.162,623 -0.036,624 -0.011,625 0.002,626 0.011,627 -0.064,628 0.016,629 -0.044,630 -0.047,631 -0.026,632 -0.054,633 -0.037,634 -0.035,635 -0.039,636 -0.083,637 0.109,638 0.038,639 0.039,640 0.101,641 -0.227,642 -0.066,643 -0.209,644 -0.113,645 -0.198,646 -0.142,647 -0.182,648 -0.042,649 -0.038,650 0.063,651 -0.159,652 0.056,653 5.705,654 7.189,655 0.571,656 50.177,657 1.019,658 1.132,659 2.74,660 7.508,661 0.671,662 3.829,663 4.159,664 4.394,665 4.575,666 4.779,667 4.804,668 4.86,669 4.956,670 5.011,671 5.05,672 8.361,673 0.656,674 573.65,675 3.829,676 5.38,677 6.221,678 7.093,679 7.953,680 8.83,681 9.698,682 10.58,683 11.453,684 12.338,685 7,686 1,692 3,694 1,699 14,704 4,706 18,720 71,723 24,724 3,725 45,727 74,728 31,729 18,730 4,731 14,732 4,735 4,736 4,741 1,743 1,748 3,749 25,750 6,754 6,759 4,761 1,762 1,763 6,766 2,768 29,769 11,770 4,771 11,775 5,776 1,780 1,781 4,789 4,798 1,800 2,801 1,805 1,807 1,813 4,817 1,819 2,821 42,822 1,828 3,829 2,833 1,834 1,835 1,839 2,840 5.6,843 4,847 22.75,848 12.769,849 9.222,850 3.958,851 2.603,852 1.333,853 0.975,854 9.742,855 10.413,856 4.111,857 4.649,858 5.122,859 5.533,860 6.009,861 6.024,862 6.297,863 6.551,864 6.795,865 6.899,866 1,867 68,868 16.347,870 7.866,871 8.208,872 28.538,874 23.101,877 2.708,878 113.75,882 294.278,883 196.184,884 88.829,886 100.58,887 29.92,889 196.184,890 394.857,891 118.749,892 8.825,893 87.836,894 132.667,895 124.912,896 61.272,897 11.771,898 282.506,900 294.278,901 285.013,902 130.5,905 270.735,906 154.042,908 1.824,909 104.4,910 176.033,911 2.757,913 324.198,914 189.408,915 196.184,918 296.102,919 43.82,920 153.664,921 36.022,922 180.183,923 294.278,924 219.328,925 196.184,927 0.586,928 0.341,929 0.17,930 0.093,931 27,932 14,933 0.149,934 11,936 1,937 4.891,938 422.809,940 24,941 212.477,945 30.452,946 13.437,947 7.625,949 219.328,950 23.6,955 2.433,957 68.919,958 709.791,959 60,964 51.704,966 1.171,967 4.211,968 -5.312,969 72.33,970 80.406,971 0.276,972 0.602,973 0.754,974 0.863,975 0.911,976 0.925,977 5.359,978 2.084,979 6.232,980 6.355,981 4.844,982 5.338,983 3.694,984 7.069,985 4.796,986 6.569,987 1.727,988 7.823,989 5.851,990 4.575,991 5.094,992 3.758,993 8.228,994 4.454,995 7.879,996 1.625,997 9.531,998 4.861,999 6.497,1000 7.418,1001 5.396,1002 11.313,1003 6.371,1004 9.222,1005 1.459,1006 11.314,1007 4.234,1008 7.057,1009 7.92,1010 6.325,1011 13.363,1012 6.835,1013 10.597,1014 1.414,1015 13.15,1016 3.659,1017 8.498,1018 9.759,1019 7.653,1020 16.07,1021 8.254,1022 11.996,1023 1.348,1024 15.025,1025 3.121,1026 9.428,1027 10.61,1028 8.832,1029 18.458,1030 9.081,1031 13.413,1032 1.126,1033 16.932,1034 3.014,1035 10.707,1036 12.234,1037 10.102,1038 21.071,1039 10.317,1040 3.517,1041 1,1042 18.862,1043 2.542,1044 11.805,1045 13.274,1046 11.342,1047 23.585,1048 11.316,1049 3.173,1050 13.509,1051 20.812,1052 2.136,1053 13.037,1054 14.783,1055 12.603,1056 26.177,1057 12.486,1058 2.697,1059 10.975,1060 22.778,1061 3.937,1062 14.209,1063 15.936,1064 13.858,1065 28.738,1066 13.567,1067 2.646,1068 8.352,1069 24.757,1070 3.814,1071 15.433,1072 17.378,1073 15.118,1074 31.329,1075 14.719,1076 2.518,1077 8.231,1078 26.745,1079 3.518,1080 16.64,1081 18.601,1082 16.376,1083 33.91,1084 15.839,1085 2.387,1086 6.988,1087 28.743,1088 3.455,1089 17.868,1090 20.004,1091 17.635,1092 36.503,1093 16.991,1094 2.217,1095 6.729,1096 30.746,1097 3.439,1098 19.093,1099 21.271,1100 18.895,1101 39.094,1102 18.132,1103 26865,1104 47099,1105 29.126,1106 47.62,1107 68.868,1108 70.398,1109 69.496,1110 67.076,1111 66.932,1112 86.39,1113 23.419,1114 192.944,1115 65.43,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.271,1125 24.551,1126 1.53,1127 1.564,1128 1.544,1129 1.491,1130 1.487,1131 1.92,1132 0.52,1133 4.288,1134 1.454,1135 4.013,1136 4.048,1137 3.963,1138 3.919,1139 8.363,1140 3.921,1141 3.938,1142 3.97,1143 3.881,1144 3.866,1145 7.999,1146 3.862,1147 3.904,1148 3.937,1149 3.829,1150 3.842,1151 7.436,1152 3.835,1153 3.783,1154 3.819,1155 3.734,1156 3.616,1157 7.426,1158 3.643,1159 3.741,1160 3.768,1161 3.705,1162 3.551,1163 7.423,1164 3.586,1165 3.541,1166 3.586,1167 3.481,1168 3.297,1169 7.411,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.151,1175 5.077,1176 3.163,1177 3.198,1178 3.275,1179 3.069,1180 3.053,1181 4.792,1182 3.041,1183 0.103,1184 0.103,1185 0.17,1186 0.099,1187 0.078,1188 4.631,1189 0.087,1190 4.65,1191 0.078,1192 7.668,1193 0.3,1194 4.449,1195 0.073,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.058,1204 2.059,1205 1.245,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.026,1211 1.161,1212 2.033,1213 1.91,1214 1.88,1215 2.04,1216 2,1217 1.151,1218 2.016,1219 1.708,1220 1.671,1221 1.822,1222 1.898,1223 0.951,1224 1.884,1225 1.636,1226 1.61,1227 1.746,1228 1.847,1229 0.877,1230 1.813,1231 1.423,1232 1.379,1233 1.592,1234 1.696,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.536,1240 1.528,1241 0.63,1242 1.527,1243 1.213,1244 1.142,1245 1.52,1246 1.421,1247 0.568,1248 1.463,1249 4.511,1251 5.838,1253 7.357,1255 8.961,1257 10.609,1259 1.839,1261 30.379,1263 5.761,1265 -1.197,1266 4.394,1270 -1.787,1271 1.008,1272 -4.455,1273 46.581,1274 120.561,1275 262.752,1276 329.313,1277 376.616,1278 397.877,1279 403.877,1280 150.847,1281 7.81,1282 136.18,1283 136.18,1284 24,1285 12.873,1286 4.644,1287 4,1288 78.544,1289 203,1290 242,1291 0.176,1292 287.001,1293 525.42,1294 692.043,1295 27721,1296 2.8,1297 30.277,1298 0.721,1299 0.541,1300 28.485,1301 22.72,1302 20.057,1303 0.446,1304 0.29,1305 12.864,1306 19.299,1307 12.591,1308 10.434,1309 19.296,1310 13.06,1311 18.442,1312 0.293,1313 0.154,1314 17.249,1315 9.715,1316 15.285,1317 0.191,1318 0.081,1319 13.772,1320 6.477,1321 11.412,1322 0.119,1323 0.045,1324 11.019,1325 4.331,1326 9.086,1327 0.077,1328 0.024,1329 8.987,1330 2.832,1331 0.277,1332 126.292,1333 0.185,1334 37.147,1335 0.487,1336 216,1337 802.433,1338 244.739,1339 721.8,1340 940.98,1341 666,1342 251,1343 652.705,1344 281.156,1345 649.734,1346 958.44,1347 609,1348 5.717}
{0 CHEMBL25884,1 1.73,2 13.93,3 1.297,4 1.682,5 155.39,6 7.749,7 0.267,8 4.422,9 4.547,10 3.987,11 3.9,12 5.624,13 3.9,14 4.965,15 5.145,16 4.382,17 4.26,18 6.277,19 4.25,20 5.247,21 5.437,22 4.559,23 4.42,24 6.765,25 4.403,26 5.345,27 5.546,28 4.518,29 4.449,30 6.696,31 4.427,32 5.402,33 5.611,34 4.576,35 4.458,36 6.852,37 4.445,38 5.41,39 5.632,40 4.651,41 4.444,42 6.939,43 4.453,44 5.355,45 5.532,46 4.623,47 4.436,48 6.883,49 4.457,50 5.412,51 5.617,52 4.581,53 4.42,54 6.884,55 4.436,56 0.184,57 1.261,58 14.576,59 6.656,60 31.576,61 8.517,62 0.781,63 2.085,64 29.378,65 10.736,66 101.828,67 14.41,68 1.576,69 2.338,70 41.909,71 13.695,72 252.556,73 18.358,74 1.408,75 2.505,76 47.766,77 14.737,78 235.827,79 19.41,80 1.701,81 2.685,82 52.055,83 15.626,84 291.179,85 20.142,86 1.887,87 2.624,88 53.676,89 14.82,90 296.378,91 20.184,92 1.592,93 2.746,94 47.924,95 14.774,96 254.984,97 17.685,98 1.824,99 2.829,100 54.157,101 15.508,102 305.802,103 18.397,105 133,106 63,107 0.265,108 0.593,109 0.773,110 0.843,111 0.861,112 0.861,113 3.788,114 0.908,115 -2.87,116 -2.88,117 -2.78,120 39,121 3,122 1,126 4,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,165 14,167 3,168 4,171 2,173 1,176 16,181 1,182 5,184 3,185 7,187 1,190 10,194 2,195 9,198 1,200 2,203 3,206 5,207 12,210 3,211 1,212 7,217 1,219 1,220 10,222 1,223 1,224 1,225 6,226 1,229 2,230 3,231 15,234 1,236 6,239 1,242 2,244 3,245 12,248 3,250 7,253 3,256 3,258 12,260 1,261 1,263 2,266 6,268 1,270 4476,271 28.048,272 28.048,273 28.048,274 28.048,275 28.048,276 25.479,277 30.318,278 16.249,279 28.501,280 21.941,281 21.941,282 21.941,283 21.941,284 21.941,285 17.89,286 27.805,287 7.457,288 22.592,289 4.536,290 2.397,291 1.225,292 0.766,293 0.653,294 0.653,295 4.46,303 1231,304 5.874,307 507.451,313 2.168,314 92.245,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 97,326 599,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.814,342 1.991,343 10.975,344 3.034,345 4.042,346 3.724,347 6.008,348 3.722,349 2.757,350 3.518,351 1.971,352 8.416,353 2.661,354 3.953,355 3.593,356 5.975,357 3.668,358 2.688,359 3.451,360 1.901,361 8.328,362 2.64,363 3.92,364 3.434,365 5.958,366 3.64,367 2.645,368 3.092,369 1.268,370 8.229,371 2.604,372 3.725,373 3.054,374 5.319,375 3.387,376 2.389,377 2.936,378 1.25,379 6.735,380 2.375,381 3.594,382 2.885,383 5.275,384 3.206,385 2.219,386 2.877,387 0.78,388 6.36,389 2.187,390 3.446,391 2.676,392 5.05,393 3.103,394 2.091,395 2.593,396 0.597,397 5.858,398 2.106,399 3.099,400 2.544,401 4.813,402 2.708,403 1.757,404 2.148,405 0.316,406 4.889,407 1.659,408 2.955,409 2.284,410 4.573,411 2.616,412 1.648,413 2.089,414 0.163,415 4.387,416 1.581,417 2.915,418 2.142,419 4.21,420 2.459,421 1.452,422 2.01,423 0.129,424 3.66,425 1.454,426 2.775,427 1.988,428 4.154,429 2.389,430 1.414,431 1.778,433 3.383,434 1.372,435 2.639,436 1.849,437 3.686,438 2.3,439 1.308,440 1.641,442 3.026,443 1.274,444 2.609,445 1.491,446 3.524,447 2.118,448 1.126,449 1.572,451 2.542,452 1.114,453 2.5,454 1.475,455 3.477,456 2,457 1,458 1.5,460 2.136,461 1,462 19.638,463 0.457,464 1.291,465 0.03,466 50,467 1.163,468 22.5,469 0.523,470 27.5,471 0.64,472 45.49,473 1.058,474 48.762,475 0.633,476 55.4,477 1.288,478 10.541,479 0.245,480 9.841,481 0.229,482 0.211,483 0.025,484 0.321,486 2,490 0.638,491 1.261,492 0.748,493 1.174,494 0.586,495 1.019,496 0.613,497 1.107,498 0.753,499 1.061,500 0.587,501 0.963,502 0.713,503 0.924,504 0.872,505 1.012,506 0.764,507 0.994,508 1.164,509 1.074,510 1.055,511 1.051,512 1.205,513 1.03,514 1.232,515 1.182,516 1.041,517 1.019,518 1.239,519 0.981,520 1.029,521 0.94,522 0.801,523 0.807,524 1.008,525 0.742,526 1.529,527 1.347,528 1.139,529 1.131,530 1.588,531 1.046,532 1.727,533 1.285,534 1.168,535 0.928,536 1.761,537 0.897,538 10.5,539 0.504,540 6.444,541 3.813,542 2.698,543 2.069,544 1.527,545 1.128,546 0.801,547 0.664,548 27911,549 87046,550 1.924,551 44.2,552 3,553 18,554 1,556 4,558 8,560 1.824,561 1.749,562 3.727,563 1.442,569 133.243,570 1.73,571 3.87,572 5.042,573 5.5,574 5.614,575 5.614,576 3.214,577 5.147,578 5.397,579 3.959,580 3574.8,581 9.594,582 65200.6,587 482.543,588 1.677,589 5.316,590 0.233,591 0.007,592 0.102,593 0.054,594 0.04,595 0.029,596 0.02,597 0.015,598 0.011,599 0.01,600 0.521,601 0.17,602 0.63,603 1.719,604 246.629,605 -0.059,606 -0.136,607 0.014,608 -0.042,609 -0.068,611 0.161,612 -0.008,613 0.124,614 -0.018,615 0.097,616 0.028,617 0.271,618 0.106,619 0.073,620 -0.017,621 0.206,622 -0.033,623 -0.078,624 -0.065,625 -0.074,626 -0.067,627 -0.092,628 -0.071,629 -0.018,630 -0.065,631 -0.019,632 -0.041,633 -0.02,634 -0.032,635 0.132,636 0.06,637 0.231,638 0.131,639 0.159,640 0.199,641 -0.121,642 -0.123,643 -0.113,644 -0.131,645 -0.121,646 -0.121,647 -0.225,648 -0.049,649 -0.088,650 0.043,651 -0.208,652 0.022,653 5.835,654 7.177,655 0.419,656 53.174,657 1.02,658 1.142,659 1.641,660 2.692,661 0.644,662 3.829,663 4.159,664 4.394,665 4.543,666 4.71,667 4.771,668 4.828,669 4.913,670 4.942,671 4.984,672 8.553,673 0.628,674 596.7,675 3.829,676 5.38,677 6.221,678 7.093,679 7.953,680 8.83,681 9.698,682 10.58,683 11.453,684 12.338,685 7.8,686 1,692 4,694 1,699 9,704 3,706 12,720 77,723 19,724 2,725 45,727 79,728 30,729 12,730 3,731 9,732 4,735 3,736 3,741 3,743 1,748 3,749 20,750 10,754 7,759 5,761 1,762 1,763 7,766 2,768 34,769 13,770 4,771 13,775 6,776 1,780 1,781 5,789 3,798 1,800 2,801 2,805 1,807 1,813 3,817 3,819 2,821 43,822 1,828 5,829 2,833 1,834 2,835 1,839 2,840 6.5,843 5,847 24.583,848 14.469,849 9.667,850 4.638,851 2.318,852 1.301,853 0.941,854 11.563,855 10.01,856 4.078,857 4.585,858 5.03,859 5.395,860 5.841,861 5.929,862 6.206,863 6.45,864 6.682,865 6.803,866 1,867 71,868 16.865,870 8.117,871 8.285,872 29.135,874 23.156,877 2.785,878 119.75,882 353.133,883 172.184,884 91.953,886 125.725,887 29.92,889 172.184,890 478.858,891 121.873,892 26.476,893 95.172,894 85.286,895 154.761,896 58.087,897 11.771,898 341.362,900 353.133,901 264.137,902 155.645,905 258.964,906 249.814,908 1.824,909 129.386,910 130.17,911 2.757,913 383.053,914 217.677,915 172.184,918 354.957,919 49.551,920 127.058,921 36.022,922 205.328,923 353.133,924 247.598,925 172.184,927 0.585,928 0.35,929 0.169,930 0.085,931 25,932 15,933 0.165,934 13,936 1,937 4.829,938 428.234,940 18,941 221.329,945 33.412,946 14.881,947 8.483,949 247.598,950 15.012,955 1.786,957 68.919,958 772.915,959 58,964 63.825,966 1.153,967 4.194,968 -6.296,969 78.527,970 87.944,971 0.276,972 0.618,973 0.805,974 0.878,975 0.896,976 0.896,977 5.338,978 2.091,979 6.244,980 6.36,981 4.844,982 5.273,983 3.848,984 7.093,985 4.786,986 6.546,987 1.757,988 7.849,989 5.858,990 4.635,991 5.121,992 3.854,993 8.28,994 4.509,995 7.862,996 1.648,997 9.568,998 4.889,999 6.515,1000 7.329,1001 5.485,1002 11.35,1003 6.371,1004 9.21,1005 1.452,1006 11.359,1007 4.387,1008 7.116,1009 7.919,1010 6.366,1011 13.398,1012 6.885,1013 10.59,1014 1.414,1015 13.198,1016 3.66,1017 8.528,1018 9.662,1019 7.687,1020 16.096,1021 8.265,1022 11.992,1023 1.308,1024 15.073,1025 3.383,1026 9.478,1027 10.584,1028 8.847,1029 18.477,1030 9.123,1031 13.413,1032 1.126,1033 16.978,1034 3.026,1035 10.741,1036 12.14,1037 10.113,1038 21.085,1039 10.336,1040 3.517,1041 1,1042 18.905,1043 2.542,1044 11.844,1045 13.233,1046 11.348,1047 23.594,1048 11.349,1049 3.173,1050 13.509,1051 20.85,1052 2.136,1053 13.067,1054 14.697,1055 12.607,1056 26.183,1057 12.507,1058 2.757,1059 10.975,1060 22.811,1061 3.937,1062 14.238,1063 15.888,1064 13.86,1065 28.743,1066 13.592,1067 2.688,1068 8.416,1069 24.785,1070 3.814,1071 15.457,1072 17.302,1073 15.119,1074 31.331,1075 14.738,1076 2.645,1077 8.328,1078 26.77,1079 3.518,1080 16.661,1081 18.552,1082 16.376,1083 33.912,1084 15.86,1085 2.389,1086 8.229,1087 28.763,1088 3.451,1089 17.885,1090 19.938,1091 17.636,1092 36.504,1093 17.007,1094 2.219,1095 6.735,1096 30.763,1097 3.092,1098 19.107,1099 21.225,1100 18.895,1101 39.095,1102 18.148,1103 27836,1104 49425,1105 28.145,1106 49.603,1107 68.274,1108 70.649,1109 70.792,1110 66.553,1111 66.409,1112 82.725,1113 27.78,1114 193.29,1115 64.629,1116 5.611,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.661,1124 5.271,1125 29.9,1126 1.517,1127 1.57,1128 1.573,1129 1.479,1130 1.476,1131 1.838,1132 0.617,1133 4.295,1134 1.436,1135 4.009,1136 4.044,1137 3.96,1138 3.914,1139 8.363,1140 3.916,1141 3.933,1142 3.964,1143 3.874,1144 3.863,1145 7.999,1146 3.858,1147 3.811,1148 3.856,1149 3.76,1150 3.625,1151 7.438,1152 3.653,1153 3.772,1154 3.815,1155 3.713,1156 3.58,1157 7.428,1158 3.611,1159 3.717,1160 3.757,1161 3.644,1162 3.515,1163 7.424,1164 3.536,1165 3.544,1166 3.597,1167 3.475,1168 3.302,1169 7.422,1170 3.334,1171 3.382,1172 3.435,1173 3.264,1174 3.171,1175 7.411,1176 3.184,1177 3.306,1178 3.407,1179 3.116,1180 3.123,1181 5.077,1182 3.089,1183 0.103,1184 0.103,1185 0.17,1186 0.099,1187 0.078,1188 4.631,1189 0.087,1190 4.65,1191 0.078,1192 7.668,1193 0.3,1194 4.449,1195 0.073,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.023,1211 1.161,1212 2.031,1213 1.715,1214 1.676,1215 1.928,1216 1.951,1217 1.13,1218 1.94,1219 1.698,1220 1.645,1221 1.822,1222 1.897,1223 0.952,1224 1.884,1225 1.629,1226 1.59,1227 1.751,1228 1.847,1229 0.88,1230 1.818,1231 1.446,1232 1.392,1233 1.725,1234 1.716,1235 0.869,1236 1.697,1237 1.351,1238 1.267,1239 1.656,1240 1.584,1241 0.808,1242 1.638,1243 1.316,1244 1.256,1245 1.537,1246 1.565,1247 0.63,1248 1.55,1249 4.511,1251 5.838,1253 7.357,1255 8.961,1257 10.609,1259 5.206,1261 30.354,1263 5.749,1265 -1.186,1266 4.088,1270 -1.86,1271 2.31,1272 -4.585,1273 48.371,1274 133.243,1275 297.991,1276 388.239,1277 423.523,1278 432.278,1279 432.278,1280 204.016,1281 7.692,1282 156.49,1283 156.49,1284 18,1285 12.873,1286 4.322,1287 3.807,1288 97.564,1289 212,1290 241,1291 0.211,1292 301.448,1293 556.45,1294 727.292,1295 23133,1296 2.6,1297 31.733,1298 0.738,1299 0.561,1300 29.941,1301 24.103,1302 20.381,1303 0.453,1304 0.303,1305 13.385,1306 19.441,1307 13.05,1308 10.842,1309 19.621,1310 13.623,1311 18.492,1312 0.294,1313 0.155,1314 17.299,1315 9.795,1316 15.46,1317 0.193,1318 0.084,1319 13.948,1320 6.697,1321 11.292,1322 0.121,1323 0.047,1324 10.9,1325 4.397,1326 8.311,1327 0.076,1328 0.023,1329 8.218,1330 2.578,1331 0.331,1332 129.393,1333 0.188,1334 37.803,1335 0.581,1336 216,1337 843.813,1338 249.368,1339 751.431,1340 970.77,1341 692,1342 251,1343 667.158,1344 285.564,1345 658.209,1346 972.82,1347 617,1348 5.708}
{0 CHEMBL26182,1 1.799,2 13.175,3 1.041,4 1.083,5 139.048,6 8.292,7 0.286,8 4.302,9 4.413,10 3.922,11 3.779,12 5.57,13 3.801,14 4.827,15 4.981,16 4.319,17 4.133,18 6.242,19 4.148,20 5.09,21 5.249,22 4.481,23 4.281,24 6.711,25 4.284,26 5.195,27 5.39,28 4.422,29 4.287,30 6.595,31 4.29,32 5.203,33 5.387,34 4.521,35 4.304,36 6.755,37 4.329,38 5.252,39 5.436,40 4.606,41 4.326,42 6.909,43 4.364,44 5.248,45 5.417,46 4.529,47 4.33,48 6.817,49 4.356,50 5.287,51 5.495,52 4.452,53 4.306,54 6.73,55 4.314,56 0.265,57 1.104,58 11.092,59 5.783,60 41.745,61 6.66,62 0.929,63 1.843,64 23.195,65 9.384,66 123.286,67 11.316,68 1.58,69 2.056,70 32.096,71 11.792,72 254.921,73 14.42,74 1.562,75 2.202,76 39.754,77 12.393,78 258.57,79 15.177,80 1.698,81 2.364,82 39.197,83 12.852,84 284.666,85 14.911,86 2.026,87 2.308,88 42.16,89 12.883,90 318.572,91 15.607,92 1.788,93 2.453,94 40.225,95 13.155,96 280.695,97 14.633,98 1.881,99 2.373,100 46.517,101 13.826,102 305.474,103 16.305,105 108,106 59,107 0.283,108 0.627,109 0.793,110 0.869,111 0.89,112 0.89,113 3.718,114 0.855,115 -2.7,116 -2.71,117 -2.64,120 40.3,121 1,122 1,125 1,126 2,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,165 14,167 3,168 2,171 2,173 1,176 16,181 1,182 5,184 3,185 7,187 1,190 10,194 2,195 7,198 1,200 2,203 2,206 5,207 12,210 3,211 1,212 5,217 1,219 1,220 10,222 1,223 1,224 1,225 6,226 1,229 2,230 3,231 13,234 1,236 6,239 1,242 2,244 3,245 12,248 3,250 7,253 3,256 3,258 10,260 1,261 1,263 2,266 6,268 1,270 3532,271 25.971,272 25.971,273 25.971,274 25.971,275 25.971,276 23.378,277 25.801,278 15.126,279 26.423,280 20.552,281 20.552,282 20.552,283 20.552,284 20.552,285 16.45,286 22.173,287 7.078,288 21.167,289 4.267,290 2.082,291 1.027,292 0.541,293 0.411,294 0.411,295 4.39,303 1087,304 5.523,307 462.698,313 1.843,314 89.273,317 0.5,318 0.5,319 0.5,320 0.8,321 0.5,322 0.33,324 0.45,325 91.5,326 527,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.27,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 2.472,343 10.975,344 3.034,345 4.042,346 3.688,347 5.988,348 3.679,349 2.695,350 3.518,351 1.973,352 8.352,353 2.649,354 3.946,355 3.592,356 5.958,357 3.642,358 2.646,359 3.451,360 1.904,361 8.231,362 2.623,363 3.732,364 3.433,365 5.322,366 3.392,367 2.395,368 2.942,369 1.27,370 6.737,371 2.379,372 3.643,373 3.054,374 5.276,375 3.316,376 2.34,377 2.886,378 1.251,379 6.368,380 2.263,381 3.589,382 2.884,383 5.065,384 3.199,385 2.214,386 2.808,387 0.78,388 5.984,389 2.173,390 3.432,391 2.676,392 4.983,393 3.086,394 2.074,395 2.577,396 0.415,397 5.788,398 2.084,399 3.097,400 2.544,401 4.797,402 2.673,403 1.706,404 2.145,405 0.315,406 4.84,407 1.636,408 2.946,409 2.142,410 4.547,411 2.554,412 1.572,413 2.086,414 0.157,415 4.143,416 1.533,417 2.915,418 1.988,419 4.21,420 2.389,421 1.414,422 2.01,423 0.053,424 3.659,425 1.372,426 2.72,427 1.849,428 3.715,429 2.357,430 1.385,431 1.704,433 3.053,434 1.324,435 2.61,436 1.491,437 3.536,438 2.118,439 1.126,440 1.638,442 2.542,443 1.114,444 2.5,445 1.475,446 3.478,447 2,448 1,449 1.5,451 2.136,452 1,453 2.165,454 1.466,455 3.247,456 1.735,457 0.733,458 0.91,460 1.834,461 0.714,462 18.071,463 0.452,464 1.239,465 0.031,466 48.25,467 1.206,468 22.5,469 0.563,470 25.75,471 0.644,472 38.266,473 0.957,474 44.929,475 0.671,476 52.863,477 1.322,478 10.487,479 0.262,480 8.446,481 0.211,482 0.201,483 0.028,484 0.326,486 2,490 0.667,491 1.176,492 0.694,493 1.127,494 0.6,495 0.957,496 0.665,497 1.065,498 0.741,499 1.028,500 0.615,501 0.938,502 0.693,503 0.99,504 0.901,505 1.1,506 0.785,507 1.094,508 1.127,509 1.023,510 1.042,511 0.96,512 1.195,513 0.966,514 1.146,515 1.235,516 1.01,517 1.03,518 1.176,519 0.972,520 0.982,521 1.048,522 0.85,523 0.905,524 1.017,525 0.838,526 1.344,527 1.262,528 1.178,529 1.127,530 1.43,531 1.096,532 1.334,533 1.086,534 1.094,535 0.889,536 1.394,537 0.897,538 10,539 0.438,540 5.778,541 3.313,542 2.698,543 2.014,544 1.363,545 0.972,546 0.703,547 0.664,548 22632,549 80477,550 1.933,551 40.3,552 3,553 17,554 1,556 4,558 2,560 1.808,561 1.758,562 3.639,563 1.506,569 120.545,570 1.799,571 3.985,572 5.039,573 5.525,574 5.655,575 5.655,576 3.09,577 4.953,578 5.293,579 3.838,580 2993.71,581 9.39,582 51514.4,587 406.428,588 1.679,589 5.213,590 0.238,591 0.007,592 0.098,593 0.051,594 0.044,595 0.03,596 0.019,597 0.015,598 0.011,599 0.011,600 0.522,601 0.17,602 0.63,603 1.564,604 223.771,605 -0.073,606 -0.1,607 0.008,608 -0.032,609 -0.076,610 0.012,611 0.143,612 0.014,613 0.102,614 0.007,615 0.089,616 0.029,617 0.255,618 0.047,619 0.001,620 -0.099,621 0.186,622 -0.147,623 -0.105,624 -0.023,625 -0.062,626 0.005,627 -0.12,628 -0.01,629 -0.01,630 -0.044,631 -0.022,632 -0.043,633 -0.007,634 -0.031,635 0.136,636 -0.008,637 0.149,638 0.053,639 0.158,640 0.099,641 -0.131,642 -0.092,643 -0.193,644 -0.14,645 -0.126,646 -0.175,647 -0.161,648 0.002,649 -0.047,650 0.074,651 -0.164,652 0.062,653 5.858,654 6.889,655 0.45,656 44.43,657 1.031,658 1.14,659 1.468,660 2.156,661 0.653,662 3.761,663 4.094,664 4.317,665 4.477,666 4.682,667 4.736,668 4.771,669 4.852,670 4.898,671 4.942,672 7.959,673 0.649,674 555.59,675 3.761,676 5.313,677 6.151,678 7.024,679 7.884,680 8.764,681 9.634,682 10.518,683 11.393,684 12.281,685 7.5,686 1,692 3,694 1,699 9,704 3,706 12,720 67,723 19,724 2,725 42,727 69,728 27,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 20,750 7,754 7,759 5,761 1,762 1,763 7,766 2,768 27,769 13,770 4,771 13,775 5,776 1,780 1,781 6,789 3,798 1,800 2,801 1,803 1,805 1,807 1,813 3,817 2,819 2,821 40,822 1,828 3,829 2,830 1,833 1,834 1,835 1,839 2,840 9,843 5,845 1,847 22.75,848 12.436,849 8.889,850 3.596,851 2.376,852 1.313,853 0.943,854 10.135,855 9.962,856 4.025,857 4.543,858 4.984,859 5.358,860 5.833,861 5.915,862 6.188,863 6.436,864 6.672,865 6.797,866 0.889,867 65,868 15.697,870 7.67,871 8.406,872 26.622,874 21.09,877 2.906,878 116.25,882 270.735,883 163.692,884 88.829,886 136.725,887 29.92,889 163.692,890 407.46,891 118.749,892 19.708,893 87.836,894 85.286,895 157.248,896 69.086,897 11.771,898 258.964,900 270.735,901 252.521,902 166.645,905 247.193,906 190.187,908 1.824,909 104.4,910 143.54,911 2.757,913 300.656,914 225.553,915 163.692,918 272.559,919 47.826,920 117.166,921 36.022,922 216.327,923 270.735,924 255.473,925 163.692,927 0.587,928 0.342,929 0.162,930 0.09,931 24,932 14,933 0.174,934 12,936 1,937 4.621,938 389.908,940 18,941 204.877,945 30.451,946 13.313,947 7.742,949 255.473,950 14.888,955 1.756,957 68.919,958 689.901,959 55,964 62.179,966 1.142,967 4.17,968 -6.844,969 69.101,970 76.41,971 0.297,972 0.657,973 0.831,974 0.911,975 0.932,976 0.932,977 5.283,978 2.074,979 6.176,980 5.984,981 4.779,982 5.231,983 3.917,984 7.022,985 4.72,986 6.498,987 1.706,988 7.778,989 5.788,990 4.575,991 5.085,992 3.937,993 8.214,994 4.451,995 7.815,996 1.572,997 9.496,998 4.84,999 6.447,1000 7.297,1001 5.593,1002 11.29,1003 6.305,1004 9.164,1005 1.414,1006 11.286,1007 4.143,1008 7.048,1009 7.882,1010 6.45,1011 13.353,1012 6.818,1013 10.544,1014 1.385,1015 13.128,1016 3.659,1017 8.462,1018 9.634,1019 7.769,1020 16.06,1021 8.2,1022 11.947,1023 1.126,1024 15.008,1025 3.053,1026 9.416,1027 10.551,1028 8.904,1029 18.454,1030 9.058,1031 13.368,1032 1,1033 16.917,1034 2.542,1035 10.684,1036 12.115,1037 10.161,1038 21.067,1039 10.276,1040 3.517,1041 0.733,1042 18.851,1043 2.136,1044 11.794,1045 13.207,1046 11.381,1047 23.583,1048 11.292,1049 3.173,1050 13.509,1051 20.803,1052 1.834,1053 13.022,1054 14.677,1055 12.632,1056 26.176,1057 12.457,1058 2.695,1059 10.975,1060 22.771,1061 3.937,1062 14.201,1063 15.868,1064 13.878,1065 28.738,1066 13.547,1067 2.646,1068 8.352,1069 24.751,1070 3.813,1071 15.424,1072 17.286,1073 15.132,1074 31.328,1075 14.699,1076 2.395,1077 8.231,1078 26.741,1079 3.518,1080 16.635,1081 18.537,1082 16.386,1083 33.91,1084 15.825,1085 2.34,1086 6.737,1087 28.739,1088 3.451,1089 17.863,1090 19.927,1091 17.642,1092 36.503,1093 16.977,1094 2.214,1095 6.368,1096 30.744,1097 2.942,1098 19.089,1099 21.215,1100 18.9,1101 39.094,1102 18.122,1103 22552,1104 42763,1105 26.353,1106 43.767,1107 63.928,1108 66.566,1109 65.963,1110 62.109,1111 62.022,1112 78.304,1113 28.226,1114 180.613,1115 60.256,1116 5.606,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.266,1123 21.66,1124 5.27,1125 27.068,1126 1.522,1127 1.585,1128 1.571,1129 1.479,1130 1.477,1131 1.864,1132 0.672,1133 4.3,1134 1.435,1135 4.006,1136 4.041,1137 3.959,1138 3.913,1139 8.363,1140 3.915,1141 3.932,1142 3.963,1143 3.873,1144 3.863,1145 7.999,1146 3.858,1147 3.795,1148 3.826,1149 3.753,1150 3.62,1151 7.44,1152 3.648,1153 3.76,1154 3.794,1155 3.711,1156 3.563,1157 7.43,1158 3.599,1159 3.621,1160 3.658,1161 3.548,1162 3.374,1163 7.425,1164 3.41,1165 3.484,1166 3.507,1167 3.434,1168 3.224,1169 7.423,1170 3.266,1171 3.301,1172 3.354,1173 3.199,1174 3.087,1175 7.411,1176 3.105,1177 3.196,1178 3.272,1179 3.062,1180 3.05,1181 5.077,1182 3.038,1183 0.11,1184 0.111,1185 0.183,1186 0.106,1187 0.084,1188 4.631,1189 0.094,1190 4.65,1191 0.084,1192 7.668,1193 0.322,1194 4.449,1195 0.078,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.27,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.161,1212 2.031,1213 1.71,1214 1.673,1215 1.823,1216 1.907,1217 0.953,1218 1.887,1219 1.65,1220 1.622,1221 1.761,1222 1.88,1223 0.882,1224 1.845,1225 1.511,1226 1.47,1227 1.703,1228 1.777,1229 0.828,1230 1.752,1231 1.348,1232 1.317,1233 1.555,1234 1.637,1235 0.63,1236 1.595,1237 1.233,1238 1.183,1239 1.536,1240 1.503,1241 0.568,1242 1.509,1243 1.211,1244 1.141,1245 1.519,1246 1.42,1247 0.568,1248 1.463,1249 4.443,1251 5.771,1253 7.29,1255 8.893,1257 10.543,1259 2.812,1261 29.778,1263 5.717,1265 -1.986,1266 3.865,1267 4.293,1270 -1.874,1271 0.963,1272 -4.608,1273 43.484,1274 120.545,1275 266.964,1276 337.634,1277 370.163,1278 378.918,1279 378.918,1280 174.064,1281 7.586,1282 162.48,1283 162.48,1284 18,1285 12.814,1286 4.322,1287 3.807,1288 86.667,1289 186,1290 220,1291 0.217,1292 269.873,1293 502.34,1294 650.249,1295 20054,1296 3,1297 29.449,1298 0.736,1299 0.541,1300 27.656,1301 21.649,1302 18.933,1303 0.451,1304 0.285,1305 11.714,1306 17.95,1307 11.452,1308 9.49,1309 18.172,1310 11.965,1311 17.452,1312 0.296,1313 0.149,1314 16.259,1315 8.805,1316 14.341,1317 0.194,1318 0.078,1319 12.829,1320 5.802,1321 10.189,1322 0.117,1323 0.043,1324 9.796,1325 3.778,1326 8.089,1327 0.076,1328 0.023,1329 8.001,1330 2.443,1331 0.339,1332 121.242,1333 0.195,1334 35.553,1335 0.604,1336 202,1337 853.904,1338 235.942,1339 754.125,1340 966.61,1341 694,1342 234,1343 654.887,1344 268.254,1345 646.72,1346 952.1,1347 603,1348 6.833}
{0 CHEMBL262398,1 1.564,2 20.203,3 4.637,4 21.499,5 231.045,6 6.63,7 0.088,8 4.962,9 5.092,10 4.395,11 4.437,12 6.006,13 3.604,14 5.573,15 5.763,16 4.818,17 4.886,18 6.617,19 3.979,20 5.942,21 6.156,22 4.947,23 5.113,24 6.969,25 4.108,26 6.111,27 6.355,28 4.986,29 5.161,30 7.157,31 4.095,32 6.095,33 6.327,34 5.021,35 5.136,36 7.342,37 4.083,38 6.082,39 6.313,40 5.04,41 5.203,42 7.167,43 4.051,44 6.179,45 6.413,46 5.113,47 5.269,48 7.246,49 3.991,50 6.289,51 6.534,52 5.161,53 5.317,54 7.462,55 3.844,56 0.227,57 1.949,58 31.936,59 13.415,60 34.67,61 5.941,62 0.875,63 3.23,64 60.848,65 22.972,66 140.094,67 10.295,68 1.49,69 4.239,70 90.429,71 31.425,72 217.71,73 12.922,74 1.805,75 4.666,76 108.966,77 33.79,78 275.371,79 13.497,80 2.907,81 4.499,82 108.93,83 32.099,84 473.378,85 12.767,86 2.144,87 4.761,88 105.275,89 35.241,90 328.216,91 12.644,92 1.71,93 4.996,94 115.31,95 36.635,96 297.713,97 12.582,98 2.953,99 5.2,100 131.006,101 39.087,102 508.32,103 12.223,104 1,105 405,106 101,107 0.217,108 0.471,109 0.69,110 0.825,111 0.85,112 0.86,113 4.176,114 1.018,115 0.33,116 0.16,117 -0.06,120 34.1,121 9,122 9,123 5,124 1,126 1,128 6,129 1,130 1,140 4,141 2,153 7,158 1,159 1,160 1,162 2,164 2,165 24,166 2,167 2,168 7,171 6,173 7,176 26,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 21,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 11,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 13,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 23,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 18,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 9,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 19,259 2,260 1,261 8,262 3,263 11,264 2,265 1,266 36,267 1,268 2,270 12362,271 40.666,272 40.666,273 40.666,274 40.666,275 40.666,276 38.926,277 46.94,278 23.053,279 41.125,280 33.388,281 33.388,282 33.388,283 33.388,284 33.388,285 30.398,286 49.327,287 10.828,288 34.129,289 5.513,290 3.676,291 2.095,292 1.123,293 0.939,294 0.865,295 4.856,303 2710,304 8,305 156.982,306 411.566,307 710.685,310 662.931,313 3.072,314 119.611,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 141.5,326 1293,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.681,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 4.108,364 3.668,365 6.223,366 3.828,367 2.843,368 3.196,369 1.956,370 9.153,371 2.796,372 3.994,373 3.612,374 6.1,375 3.788,376 2.793,377 3.146,378 1.928,379 8.796,380 2.785,381 3.882,382 3.585,383 6.063,384 3.73,385 2.751,386 3.018,387 1.905,388 8.593,389 2.697,390 3.765,391 3.527,392 5.929,393 3.582,394 2.624,395 2.914,396 0.632,397 8.225,398 2.568,399 3.663,400 3.315,401 5.799,402 3.543,403 2.562,404 2.89,405 0.382,406 7.733,407 2.435,408 3.558,409 3.009,410 5.64,411 3.329,412 2.339,413 2.69,414 0.265,415 6.788,416 2.278,417 3.526,418 2.782,419 5.303,420 3.186,421 2.179,422 2.613,423 0.159,424 6.563,425 2.166,426 3.452,427 2.645,428 5.294,429 3.072,430 2.067,431 2.6,432 0.107,433 6.093,434 2.055,435 3.246,436 2.555,437 4.69,438 3.05,439 2.056,440 2.273,441 0.014,442 5.159,443 2.018,444 3.004,445 2.441,446 4.66,447 2.923,448 1.956,449 2.005,451 5.09,452 1.884,453 2.968,454 2.316,455 4.652,456 2.812,457 1.8,458 1.968,460 4.604,461 1.812,462 29.733,463 0.465,464 2.409,465 0.038,466 57,467 0.891,468 16.5,469 0.258,470 40.5,471 0.633,472 111.088,473 1.736,474 76.467,475 0.566,476 65.064,477 1.017,478 9.572,479 0.15,480 20.363,481 0.318,482 0.266,483 0.034,484 0.389,490 0.845,491 1.458,492 0.924,493 1.31,494 0.66,495 0.915,496 0.549,497 1.28,498 0.829,499 1.174,500 0.443,501 0.981,502 0.97,503 1.167,504 1.072,505 1.182,506 0.885,507 1.068,508 1.226,509 1.162,510 1.037,511 1.101,512 1.046,513 0.956,514 1.15,515 1.021,516 1.049,517 0.959,518 1.087,519 0.959,520 1.004,521 1.132,522 1.006,523 1.126,524 0.98,525 0.92,526 1.065,527 1.158,528 1.021,529 1.121,530 0.954,531 1.017,532 1.036,533 0.906,534 0.993,535 0.881,536 1.046,537 0.966,538 18.5,539 1.042,540 10.222,541 6.347,542 5.046,543 2.98,544 2.24,545 1.886,546 1.631,547 1.202,548 88930,549 224186,550 1.925,551 52.6,552 30,553 12,554 1,556 8,557 4,558 14,559 2,560 1.911,561 1.722,562 4.218,563 4.028,569 211.091,570 1.564,571 3.401,572 4.981,573 5.954,574 6.138,575 6.212,576 3.67,577 5.633,578 5.971,579 4.475,580 9022.07,581 10.729,582 223896,587 955.37,588 1.731,589 5.872,590 0.272,591 0.009,592 0.103,593 0.06,594 0.047,595 0.027,596 0.019,597 0.015,598 0.013,599 0.009,600 0.574,601 0.17,602 0.38,603 2.151,604 413.452,605 -0.128,606 -0.066,607 0.018,608 -0.011,609 -0.061,610 0.03,611 0.194,612 -0.054,613 0.12,614 -0.004,615 0.143,616 -0.031,617 0.008,618 -0.004,619 -0.083,620 -0.073,621 -0.052,622 -0.109,623 -0.113,624 -0.043,625 -0.022,626 -0.03,627 -0.067,628 0.007,629 0.091,630 0.045,631 -0.008,632 0.054,633 0.119,634 -0.019,635 0.047,636 0.046,637 -0.005,639 0.007,640 0.036,641 -0.064,642 -0.079,643 -0.025,644 -0.083,645 -0.009,646 -0.047,647 0.055,648 0.047,649 0.022,650 0.057,651 0.078,652 0.015,653 3.01,654 7.451,655 0.328,656 111.666,657 1.002,658 1.137,659 -1.559,660 2.431,661 0.619,662 4.234,663 4.625,664 4.883,665 5.112,666 5.318,667 5.451,668 5.568,669 5.704,670 5.805,671 5.916,672 11.921,673 0.651,674 895.04,675 4.234,676 5.826,677 6.688,678 7.597,679 8.489,680 9.405,681 10.312,682 11.236,683 12.155,684 13.088,685 4.4,686 1,692 5,699 4,704 2,706 6,720 135,721 1,723 13,724 1,725 68,727 139,728 46,729 6,730 2,731 4,735 5,736 8,741 9,742 1,744 1,745 6,746 3,748 15,749 13,750 33,751 6,754 7,759 7,763 7,768 71,769 17,770 8,771 18,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 9,821 64,822 1,827 2,828 10,829 4,830 2,832 1,833 12,834 1,835 2,840 8.1,842 2,843 7,844 2,847 37.167,848 25.85,849 13.764,850 8.692,851 0.643,852 1.07,853 0.959,854 17.337,855 9.826,856 4.369,857 4.832,858 5.149,859 5.457,860 5.779,861 5.825,862 5.943,863 6.069,864 6.229,865 6.446,866 1,867 106,868 24.477,870 11.107,871 7.997,872 45.644,874 39.226,877 2.497,878 159.833,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.602,928 0.344,929 0.17,930 0.091,931 44,932 27,933 0.151,934 21,935 3,936 1.238,937 6.203,938 760.191,939 0.286,940 20,941 372,945 51.605,946 21.501,947 12.158,949 150.083,950 8.498,955 2.364,957 60.694,958 547.756,959 78,964 91.523,968 -5.944,969 135.257,970 153.524,971 0.221,972 0.481,973 0.704,974 0.841,975 0.867,976 0.878,977 5.702,978 2.624,979 6.749,980 8.593,981 5.313,982 5.521,983 3.946,984 7.655,985 5.269,986 6.898,987 2.562,988 8.387,989 8.225,990 5.231,991 5.497,992 3.633,993 8.952,994 5.167,995 8.222,996 2.339,997 10.139,998 7.733,999 7.052,1000 7.441,1001 5.157,1002 12.077,1003 6.957,1004 9.573,1005 2.179,1006 11.961,1007 6.788,1008 7.754,1009 8.145,1010 5.443,1011 14.26,1012 7.639,1013 10.958,1014 2.067,1015 13.832,1016 6.563,1017 9.155,1018 9.67,1019 6.551,1020 17.049,1021 9.011,1022 12.366,1023 2.056,1024 15.742,1025 6.093,1026 10.188,1027 10.665,1028 7.097,1029 19.581,1030 10.024,1031 13.793,1032 1.956,1033 17.682,1034 5.159,1035 11.476,1036 12.056,1037 8.039,1038 22.311,1039 11.289,1040 3.847,1041 1.8,1042 19.648,1043 5.09,1044 12.657,1045 13.183,1046 8.718,1047 24.975,1048 12.45,1049 3.203,1050 15.757,1051 21.634,1052 4.604,1053 13.931,1054 14.528,1055 9.589,1056 27.706,1057 13.704,1058 3.173,1059 12.336,1060 23.639,1061 3.847,1062 15.182,1063 15.724,1064 10.339,1065 30.421,1066 14.937,1067 2.989,1068 11.03,1069 25.658,1070 3.681,1071 16.469,1072 17.054,1073 11.182,1074 33.161,1075 16.207,1076 2.843,1077 9.697,1078 27.689,1079 3.454,1080 17.757,1081 18.292,1082 11.971,1083 35.898,1084 17.478,1085 2.793,1086 9.153,1087 29.732,1088 3.282,1089 19.062,1090 19.616,1091 12.805,1092 38.644,1093 18.765,1094 2.751,1095 8.796,1096 31.782,1097 3.196,1098 20.371,1099 20.883,1100 13.616,1101 41.39,1102 20.058,1103 86719,1104 138225,1105 41.904,1106 83.501,1107 106.176,1108 110.67,1109 110.631,1110 104.719,1111 104.595,1112 116.326,1113 32.089,1114 319.705,1115 102.479,1116 5.847,1117 5.976,1118 7.63,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 52.093,1126 1.561,1127 1.627,1128 1.627,1129 1.54,1130 1.538,1131 1.711,1132 0.472,1133 4.702,1134 1.507,1135 4.105,1136 4.138,1137 4.022,1138 4.022,1139 7.478,1140 3.921,1141 3.984,1142 4.024,1143 3.905,1144 3.913,1145 7.472,1146 3.837,1147 3.929,1148 3.968,1149 3.855,1150 3.778,1151 7.439,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.686,1157 7.429,1158 3.473,1159 3.773,1160 3.821,1161 3.684,1162 3.614,1163 7.426,1164 3.293,1165 3.698,1166 3.75,1167 3.597,1168 3.584,1169 7.423,1170 3.068,1171 3.662,1172 3.706,1173 3.556,1174 3.536,1175 7.421,1176 2.932,1177 3.643,1178 3.697,1179 3.508,1180 3.484,1181 6.352,1182 2.771,1183 0.071,1184 0.058,1185 0.12,1186 0.071,1187 0.057,1188 4.847,1189 0.057,1190 3.976,1191 0.034,1192 8.155,1193 0.232,1194 4.827,1195 0.056,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.964,1208 1.936,1209 2.098,1210 2.044,1211 1.329,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.018,1217 1.277,1218 1.892,1219 1.756,1220 1.71,1221 1.96,1222 1.962,1223 1.24,1224 1.772,1225 1.703,1226 1.657,1227 1.913,1228 1.897,1229 1.222,1230 1.588,1231 1.686,1232 1.635,1233 1.905,1234 1.858,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.855,1240 1.826,1241 1.186,1242 1.389,1243 1.598,1244 1.541,1245 1.814,1246 1.761,1247 1.05,1248 1.224,1249 4.92,1251 6.308,1252 3.045,1253 7.878,1254 5.416,1255 9.544,1256 7.564,1257 11.274,1259 17.907,1263 5.675,1264 18.332,1265 2.842,1266 10.972,1267 13.57,1269 -0.681,1270 -6.385,1271 1.511,1272 -0.353,1273 33.733,1274 211.091,1275 459.12,1276 672.485,1277 803.821,1278 828.576,1279 838.576,1280 334.925,1281 9.183,1282 255.79,1283 255.79,1284 26,1285 13.591,1286 3.807,1287 3.459,1288 134.061,1289 459,1290 472,1291 0.137,1292 479.965,1293 903.83,1294 1162.87,1295 152047,1297 47.421,1298 0.741,1299 0.609,1300 47.421,1301 38.979,1302 29.935,1303 0.44,1304 0.339,1305 22.812,1306 28.776,1307 21.971,1308 18.235,1309 29.935,1310 23.072,1311 29.431,1312 0.291,1313 0.2,1314 29.431,1315 20.235,1316 23.025,1317 0.176,1318 0.109,1319 23.025,1320 14.342,1321 18.197,1322 0.11,1323 0.061,1324 18.197,1325 10.023,1326 13.924,1327 0.069,1328 0.033,1329 13.924,1330 6.799,1331 0.219,1332 188.27,1333 0.154,1334 51.93,1335 0.365,1336 338,1337 984.575,1338 377.816,1339 921.789,1340 1202.98,1341 850,1342 401,1343 833.218,1344 438.608,1345 833.886,1346 1226.06,1347 783,1348 4.222}
{0 CHEMBL26333,1 1.712,2 14.727,3 1.332,4 1.774,5 159.94,6 7.634,7 0.261,8 4.456,9 4.583,10 4.009,11 3.935,12 5.642,13 3.931,14 5.003,15 5.186,16 4.399,17 4.297,18 6.294,19 4.28,20 5.29,21 5.488,22 4.571,23 4.454,24 6.773,25 4.431,26 5.383,27 5.587,28 4.535,29 4.485,30 6.723,31 4.456,32 5.433,33 5.642,34 4.573,35 4.501,36 6.825,37 4.477,38 5.462,39 5.692,40 4.635,41 4.484,42 6.91,43 4.478,44 5.407,45 5.606,46 4.632,47 4.461,48 6.935,49 4.468,50 5.407,51 5.615,52 4.597,53 4.45,54 6.849,55 4.452,56 0.169,57 1.299,58 15.526,59 6.99,60 31.543,61 9.059,62 0.768,63 2.147,64 31.086,65 11.306,66 102.507,67 15.349,68 1.545,69 2.414,70 44.603,71 14.221,72 256.217,73 19.471,74 1.46,75 2.577,76 50.271,77 15.462,78 238.929,79 20.548,80 1.564,81 2.76,82 53.823,83 16.605,84 278.6,85 21.436,86 1.739,87 2.761,88 57.206,89 15.993,90 288.546,91 21.703,92 1.842,93 2.782,94 52.598,95 14.981,96 281.479,97 19.234,98 1.565,99 2.701,100 53.018,101 15.621,102 276.575,103 20.036,105 134,106 64,107 0.261,108 0.584,109 0.769,110 0.846,111 0.863,112 0.863,113 3.81,114 0.921,115 -3.06,116 -3.06,117 -2.94,120 38.8,121 3,122 2,126 4,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,165 14,167 3,168 6,171 2,173 2,176 16,181 1,182 5,184 3,185 5,187 1,190 10,194 2,195 10,198 3,200 2,203 5,206 3,207 12,210 3,211 1,212 5,217 1,219 3,220 11,222 1,223 1,224 1,225 8,226 1,229 2,230 1,231 13,234 1,236 7,239 2,242 2,244 5,245 12,248 1,250 7,253 4,256 3,258 11,260 1,261 3,263 2,266 8,268 1,270 4890,271 28.755,272 28.755,273 28.755,274 28.755,275 28.755,276 26.187,277 31.937,278 16.735,279 29.217,280 22.441,281 22.441,282 22.441,283 22.441,284 22.441,285 18.39,286 29.752,287 7.684,288 23.1,289 4.61,290 2.487,291 1.273,292 0.763,293 0.653,294 0.653,295 4.483,303 1333,304 5.958,307 523.075,313 2.331,314 92.546,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 99,326 648,327 4.63,328 4.65,329 7.668,330 4.448,331 3.517,332 3.937,333 3.524,334 13.509,335 3.27,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 1.973,343 10.975,344 3.034,345 4.042,346 3.713,347 5.997,348 3.718,349 2.753,350 3.518,351 1.94,352 8.391,353 2.655,354 3.947,355 3.596,356 5.985,357 3.675,358 2.693,359 3.451,360 1.904,361 8.348,362 2.644,363 3.925,364 3.438,365 5.958,366 3.642,367 2.646,368 3.089,369 1.269,370 8.231,371 2.618,372 3.727,373 3.054,374 5.32,375 3.388,376 2.39,377 2.938,378 1.25,379 6.735,380 2.376,381 3.594,382 2.888,383 5.275,384 3.207,385 2.22,386 2.879,387 0.78,388 6.36,389 2.189,390 3.452,391 2.676,392 5.05,393 3.108,394 2.096,395 2.6,396 0.555,397 5.859,398 2.11,399 3.1,400 2.544,401 4.812,402 2.735,403 1.788,404 2.149,405 0.316,406 4.886,407 1.682,408 2.96,409 2.284,410 4.569,411 2.635,412 1.663,413 2.092,414 0.159,415 4.368,416 1.603,417 2.915,418 2.142,419 4.21,420 2.506,421 1.502,422 2.01,423 0.084,424 3.665,425 1.498,426 2.791,427 1.988,428 4.186,429 2.389,430 1.414,431 1.799,433 3.643,434 1.372,435 2.683,436 1.849,437 3.732,438 2.356,439 1.377,440 1.649,442 3.053,443 1.328,444 2.61,445 1.636,446 3.544,447 2.118,448 1.126,449 1.631,451 2.542,452 1.114,453 2.5,454 1.491,455 3.479,456 2,457 1,458 1.5,460 2.136,461 1,462 20.138,463 0.458,464 1.291,465 0.029,466 50.5,467 1.148,468 22.5,469 0.511,470 28,471 0.636,472 47.563,473 1.081,474 50.062,475 0.626,476 55.705,477 1.266,478 10.565,479 0.24,480 10.316,481 0.234,482 0.205,483 0.025,484 0.313,486 2,490 0.635,491 1.267,492 0.761,493 1.184,494 0.583,495 1.033,496 0.607,497 1.115,498 0.768,499 1.078,500 0.581,501 0.982,502 0.739,503 0.945,504 0.874,505 1.006,506 0.763,507 0.981,508 1.159,509 1.024,510 1.063,511 1.024,512 1.217,513 1.022,514 1.283,515 1.209,516 1.074,517 1.066,518 1.309,519 1.025,520 1.154,521 1.056,522 0.87,523 0.847,524 1.105,525 0.784,526 1.391,527 1.159,528 1.088,529 1.014,530 1.426,531 0.97,532 1.361,533 1.181,534 0.983,535 0.95,536 1.417,537 0.882,538 10.5,539 0.471,540 6.444,541 3.938,542 2.698,543 1.958,544 1.486,545 1.128,546 0.9,547 0.664,548 30364,549 92479,550 1.926,551 45,552 3,553 18,554 1,556 4,557 2,558 8,560 1.829,561 1.754,562 3.796,563 1.422,569 136.937,570 1.712,571 3.835,572 5.049,573 5.559,574 5.669,575 5.669,576 3.272,577 5.079,578 5.428,579 4.035,580 3817.09,581 9.654,582 71388.5,587 505.754,588 1.667,589 5.352,590 0.228,591 0.007,592 0.101,593 0.055,594 0.039,595 0.028,596 0.02,597 0.015,598 0.012,599 0.009,600 0.513,601 0.17,602 0.63,603 1.819,604 255.021,605 -0.055,606 -0.133,607 0.015,608 -0.042,609 -0.064,610 -0.001,611 0.164,612 -0.014,613 0.116,614 -0.028,615 0.1,616 0.017,617 0.243,618 0.08,619 0.08,620 -0.013,621 0.2,622 -0.016,623 -0.055,624 -0.014,625 -0.076,626 -0.041,627 -0.085,628 -0.064,629 -0.068,630 -0.091,631 -0.057,632 -0.072,633 -0.072,634 -0.065,635 0.029,636 -0.025,637 0.169,638 0.097,639 0.078,640 0.163,641 -0.007,642 0.041,643 -0.045,644 -0.041,645 -0.019,646 -0.047,647 -0.077,648 -0.119,649 0.053,650 0.02,651 -0.072,652 0.061,653 5.784,654 7.207,655 0.409,656 58.24,657 1.018,658 1.142,659 1.829,660 3.344,661 0.642,662 3.85,663 4.174,664 4.407,665 4.554,666 4.71,667 4.762,668 4.828,669 4.927,670 4.97,671 4.984,672 8.923,673 0.624,674 610.73,675 3.85,676 5.398,677 6.236,678 7.106,679 7.963,680 8.839,681 9.704,682 10.584,683 11.454,684 12.337,685 7.5,686 1,692 4,694 1,699 9,704 3,706 12,720 80,723 19,724 2,725 46,727 82,728 31,729 12,730 3,731 9,732 4,735 3,736 3,741 3,743 1,748 4,749 20,750 11,754 7,759 5,761 1,762 1,763 7,766 2,768 36,769 13,770 4,771 13,775 6,776 1,780 1,781 5,789 3,798 1,800 2,801 2,805 1,807 1,813 3,817 3,819 2,821 44,822 1,828 6,829 2,833 1,834 2,835 1,839 2,840 6.3,843 5,847 25.083,848 14.969,849 9.917,850 4.888,851 2.3,852 1.298,853 0.94,854 12.18,855 10.025,856 4.094,857 4.595,858 5.037,859 5.399,860 5.833,861 5.926,862 6.204,863 6.458,864 6.687,865 6.799,866 0.9,867 72,868 17.211,870 8.203,871 8.256,872 29.951,874 23.822,877 2.756,878 121.25,882 376.675,883 174.719,884 91.953,886 125.725,887 29.92,889 174.719,890 502.4,891 121.873,892 26.476,893 97.707,894 85.286,895 154.761,896 58.087,897 11.771,898 364.904,900 376.675,901 266.672,902 155.645,905 282.506,906 249.814,908 1.824,909 131.92,910 130.17,911 2.757,913 406.595,914 217.677,915 174.719,918 378.499,919 52.085,920 127.058,921 36.022,922 205.328,923 376.675,924 247.598,925 174.719,927 0.583,928 0.349,929 0.169,930 0.083,931 25,932 15,933 0.171,934 14,936 1,937 4.937,938 437.906,940 18,941 228.215,945 34.4,946 15.579,947 8.967,949 247.598,950 15.071,955 1.806,957 68.919,958 798.992,959 59,964 63.901,966 1.158,967 4.202,968 -5.896,969 81.41,970 91.359,971 0.271,972 0.607,973 0.799,974 0.879,975 0.897,976 0.897,977 5.352,978 2.096,979 6.256,980 6.36,981 4.86,982 5.283,983 3.836,984 7.099,985 4.803,986 6.556,987 1.788,988 7.857,989 5.859,990 4.635,991 5.121,992 3.854,993 8.28,994 4.509,995 7.869,996 1.663,997 9.573,998 4.886,999 6.524,1000 7.333,1001 5.475,1002 11.351,1003 6.382,1004 9.215,1005 1.502,1006 11.362,1007 4.368,1008 7.116,1009 7.919,1010 6.363,1011 13.398,1012 6.886,1013 10.593,1014 1.414,1015 13.2,1016 3.665,1017 8.532,1018 9.664,1019 7.682,1020 16.096,1021 8.272,1022 11.994,1023 1.377,1024 15.074,1025 3.643,1026 9.478,1027 10.584,1028 8.845,1029 18.477,1030 9.124,1031 13.414,1032 1.126,1033 16.978,1034 3.053,1035 10.742,1036 12.14,1037 10.111,1038 21.084,1039 10.34,1040 3.517,1041 1,1042 18.905,1043 2.542,1044 11.844,1045 13.233,1046 11.347,1047 23.594,1048 11.35,1049 3.173,1050 13.509,1051 20.85,1052 2.136,1053 13.067,1054 14.697,1055 12.606,1056 26.183,1057 12.51,1058 2.753,1059 10.975,1060 22.811,1061 3.937,1062 14.238,1063 15.887,1064 13.859,1065 28.742,1066 13.594,1067 2.693,1068 8.391,1069 24.785,1070 3.813,1071 15.456,1072 17.302,1073 15.118,1074 31.331,1075 14.74,1076 2.646,1077 8.348,1078 26.77,1079 3.518,1080 16.661,1081 18.551,1082 16.376,1083 33.912,1084 15.86,1085 2.39,1086 8.231,1087 28.763,1088 3.451,1089 17.884,1090 19.938,1091 17.636,1092 36.504,1093 17.007,1094 2.22,1095 6.735,1096 30.763,1097 3.089,1098 19.106,1099 21.225,1100 18.895,1101 39.095,1102 18.148,1103 30267,1104 53109,1105 28.838,1106 51.364,1107 69.499,1108 71.865,1109 72.054,1110 67.832,1111 67.711,1112 84.043,1113 27.51,1114 195.902,1115 65.927,1116 5.613,1117 6.65,1118 7.47,1119 5.518,1120 5.517,1121 6.937,1122 5.246,1123 21.658,1124 5.27,1125 30.503,1126 1.511,1127 1.562,1128 1.566,1129 1.475,1130 1.472,1131 1.827,1132 0.598,1133 4.259,1134 1.433,1135 4.01,1136 4.045,1137 3.961,1138 3.914,1139 8.363,1140 3.916,1141 3.933,1142 3.964,1143 3.874,1144 3.863,1145 7.999,1146 3.858,1147 3.815,1148 3.863,1149 3.758,1150 3.631,1151 7.438,1152 3.656,1153 3.775,1154 3.817,1155 3.713,1156 3.592,1157 7.426,1158 3.618,1159 3.732,1160 3.769,1161 3.664,1162 3.532,1163 7.425,1164 3.558,1165 3.565,1166 3.628,1167 3.486,1168 3.343,1169 7.423,1170 3.359,1171 3.439,1172 3.489,1173 3.31,1174 3.226,1175 7.411,1176 3.243,1177 3.306,1178 3.407,1179 3.163,1180 3.123,1181 5.077,1182 3.101,1183 0.101,1184 0.101,1185 0.167,1186 0.097,1187 0.076,1188 4.63,1189 0.086,1190 4.65,1191 0.077,1192 7.668,1193 0.294,1194 4.448,1195 0.071,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.27,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.245,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.023,1211 1.166,1212 2.031,1213 1.729,1214 1.681,1215 1.943,1216 1.958,1217 1.161,1218 1.953,1219 1.705,1220 1.659,1221 1.826,1222 1.898,1223 1.032,1224 1.885,1225 1.636,1226 1.601,1227 1.799,1228 1.859,1229 0.95,1230 1.833,1231 1.511,1232 1.441,1233 1.731,1234 1.749,1235 0.875,1236 1.749,1237 1.354,1238 1.315,1239 1.725,1240 1.611,1241 0.869,1242 1.638,1243 1.351,1244 1.256,1245 1.537,1246 1.584,1247 0.63,1248 1.582,1249 4.533,1251 5.855,1253 7.37,1255 8.97,1257 10.615,1259 5.35,1261 30.413,1263 5.757,1265 -0.84,1266 4.234,1270 -1.838,1271 2.466,1272 -4.534,1273 49.898,1274 136.937,1275 306.779,1276 403.941,1277 444.735,1278 453.49,1279 453.49,1280 212.29,1281 7.725,1282 156.49,1283 156.49,1284 18,1285 12.874,1286 4.322,1287 3.807,1288 101.402,1289 225,1290 268,1291 0.205,1292 311.04,1293 573.75,1294 750.698,1295 24456,1296 2.5,1297 32.441,1298 0.737,1299 0.564,1300 30.648,1301 24.81,1302 20.881,1303 0.454,1304 0.307,1305 13.885,1306 19.936,1307 13.543,1308 11.247,1309 20.121,1310 14.123,1311 18.846,1312 0.294,1313 0.158,1314 17.653,1315 10.118,1316 15.702,1317 0.194,1318 0.085,1319 14.19,1320 6.921,1321 11.525,1322 0.123,1323 0.049,1324 11.141,1325 4.571,1326 8.358,1327 0.076,1328 0.025,1329 8.202,1330 2.712,1331 0.324,1332 132.393,1333 0.186,1334 38.669,1335 0.56,1336 220,1337 847.813,1338 253.368,1339 755.418,1340 976.45,1341 696,1342 255,1343 671.158,1344 289.315,1345 661.884,1346 977.6,1347 621,1348 6.53}
{0 CHEMBL263806,1 1.669,2 19.719,3 3.853,4 14.849,5 221.381,6 7.311,7 0.254,8 4.814,9 4.935,10 4.455,11 4.34,12 5.771,13 4.289,14 5.448,15 5.638,16 4.82,17 4.787,18 6.483,19 4.712,20 5.762,21 5.978,22 4.909,23 5.006,24 6.719,25 4.884,26 5.909,27 6.155,28 4.942,29 5.025,30 6.893,31 4.886,32 5.855,33 6.089,34 4.984,35 4.958,36 7.006,37 4.845,38 5.815,39 6.041,40 4.993,41 4.985,42 6.876,43 4.873,44 5.839,45 6.043,46 5.039,47 5.067,48 6.901,49 4.955,50 5.967,51 6.196,52 5.064,53 5.098,54 7.146,55 4.983,56 0.11,57 1.79,58 28.931,59 11.389,60 20.929,61 14.863,62 0.857,63 2.987,64 56.319,65 19.195,66 92.872,67 26.102,68 1.025,69 3.758,70 81.498,71 27.642,72 110.787,73 36.814,74 1.298,75 3.969,76 100.413,77 31.268,78 171.575,79 41.817,80 1.766,81 3.824,82 101.53,83 29.058,84 257.76,85 37.513,86 1.542,87 3.783,88 93.496,89 28.126,90 185.438,91 36.16,92 0.974,93 3.927,94 96.424,95 31.047,96 146.668,97 39.44,98 2.09,99 4.183,100 106.179,101 32.28,102 328.683,103 42.617,105 67,106 91,107 0.237,108 0.51,109 0.736,110 0.846,111 0.848,112 0.848,113 4.063,114 1.078,115 -2.71,116 -2.72,117 -2.64,120 36.3,121 2,122 7,123 1,124 1,126 13,128 1,140 6,141 2,142 2,144 1,147 1,153 3,156 1,165 15,167 4,168 7,171 2,173 3,176 17,181 4,182 9,185 2,187 6,190 11,195 12,198 3,199 1,200 4,203 9,206 8,207 14,212 6,215 10,219 5,220 12,225 7,227 8,231 22,234 2,236 5,239 9,244 6,245 25,248 5,250 1,253 7,257 1,258 21,263 2,266 17,270 9941,271 38.098,272 38.098,273 38.098,274 38.098,275 38.098,276 35.608,277 44.687,278 22.233,279 39.132,280 31.089,281 31.089,282 31.089,283 31.089,284 31.089,285 26.887,286 48.897,287 10.558,288 32.741,289 5.151,290 3.227,291 1.638,292 0.863,293 0.845,294 0.845,295 4.771,303 2459,304 5.831,306 144.582,307 1187.46,310 279.789,311 307.636,313 2.987,314 89.955,317 0.5,318 0.33,319 0.5,320 0.8,321 1,322 0.33,324 0.5,325 125,326 1124,327 4.913,328 4.713,329 7.443,330 4.425,331 3.491,332 4.768,333 1.989,334 13.117,335 3.293,336 4.462,337 3.833,338 6.776,339 4.214,340 3.229,341 4.402,342 1.984,343 11.149,344 3.129,345 4.352,346 3.746,347 6.417,348 3.961,349 3.02,350 3.86,351 1.94,352 9.825,353 2.875,354 4.101,355 3.715,356 6.237,357 3.86,358 2.914,359 3.269,360 0.86,361 9.425,362 2.732,363 4.018,364 3.349,365 6.157,366 3.822,367 2.87,368 3.179,369 0.835,370 8.988,371 2.719,372 3.989,373 3.041,374 6.062,375 3.735,376 2.771,377 3.14,378 0.596,379 8.734,380 2.669,381 3.926,382 2.842,383 6.017,384 3.659,385 2.679,386 3.087,387 0.555,388 8.541,389 2.612,390 3.557,391 2.803,392 5.45,393 3.476,394 2.484,395 2.829,396 0.543,397 7.152,398 2.462,399 3.519,400 2.656,401 5.314,402 3.291,403 2.348,404 2.79,405 0.4,406 6.834,407 2.227,408 3.432,409 2.548,410 5.276,411 3.176,412 2.204,413 2.5,414 0.076,415 6.699,416 2.122,417 3.376,418 2.469,419 5.246,420 3.109,421 2.166,422 2.395,424 6.552,425 2.023,426 3.046,427 2.434,428 5.016,429 2.754,430 1.818,431 2.298,433 5.569,434 1.692,435 3.032,436 2.201,437 4.821,438 2.689,439 1.741,440 2.21,442 4.994,443 1.638,444 2.933,445 2.157,446 4.414,447 2.599,448 1.62,449 2.054,451 4.312,452 1.58,453 2.9,454 1.977,455 4.269,456 2.461,457 1.532,458 1.89,460 4.085,461 1.409,462 27.252,463 0.478,464 1.647,465 0.029,466 59.75,467 1.048,468 22,469 0.386,470 37.75,471 0.662,472 80.377,473 1.41,474 65.748,475 0.582,476 59.593,477 1.045,478 10.678,479 0.187,480 16.692,481 0.293,482 0.108,483 0.049,484 0.279,485 1,490 0.615,491 1.442,492 0.816,493 1.25,494 0.545,495 1.089,496 0.828,497 1.072,498 0.887,499 0.933,500 0.583,501 0.95,502 0.892,503 1.03,504 1.069,505 1.094,506 0.821,507 1.107,508 0.99,509 0.981,510 1.003,511 1.034,512 1.141,513 0.993,514 1.177,515 1.025,516 1.072,517 1.021,518 1.348,519 0.939,520 1.234,521 0.9,522 1.102,523 0.954,524 1.347,525 0.909,526 1.024,527 1.121,528 1.235,529 1.278,530 1.136,531 1.092,532 1.068,533 0.874,534 1.05,535 0.949,536 1.149,537 0.938,538 14,539 0.685,540 7.111,541 4.729,542 3.884,543 2.691,544 1.889,545 1.407,546 1.359,547 0.778,548 72294,549 181726,550 2.083,551 49.6,552 11,553 33,556 2,557 4,558 6,560 1.885,561 1.943,562 4.16,563 0.1,569 188.647,570 1.669,571 3.593,572 5.182,573 5.957,574 5.975,575 5.975,576 3.695,577 5.258,578 5.796,579 4.399,580 7020.21,581 10.385,582 159641,587 770.68,588 1.56,589 5.754,590 0.222,591 0.007,592 0.078,593 0.05,594 0.043,595 0.029,596 0.019,597 0.013,598 0.013,599 0.007,600 0.481,601 0.33,602 0.5,603 0.705,604 357.136,605 0.026,606 -0.203,607 0.146,608 -0.061,609 -0.041,610 0.006,611 0.049,612 0.063,613 0.054,614 0.092,615 0.088,616 0.057,617 -0.04,618 0.008,619 -0.078,620 -0.052,621 -0.039,622 -0.094,623 -0.03,624 -0.049,625 0.039,626 -0.013,627 -0.063,628 0.003,629 0.031,630 -0.022,631 0.055,632 0.024,633 0.024,634 0.035,635 -0.076,636 0.129,637 0.026,638 0.107,639 -0.089,640 0.071,641 -0.066,642 -0.127,643 -0.065,644 -0.12,645 -0.043,646 -0.062,647 0.058,648 0.058,649 0.01,650 0.062,651 0.088,652 0.036,653 5.186,654 7.615,655 0.649,656 100.397,657 1.004,658 1.135,659 1.476,660 2.18,661 0.646,662 4.159,663 4.522,664 4.771,665 5.037,666 5.293,667 5.389,668 5.565,669 5.694,670 5.826,671 5.914,672 11.144,673 0.605,674 826.18,675 4.159,676 5.733,677 6.586,678 7.48,679 8.351,680 9.248,681 10.127,682 11.027,683 11.913,684 12.815,685 6.2,687 1,688 1,690 1,692 3,695 1,698 2,699 6,700 1,703 1,704 5,706 16,714 1,720 113,723 21,724 2,725 63,727 119,728 41,729 13,730 6,731 6,734 1,735 7,736 9,741 3,742 1,744 1,745 3,746 1,748 8,749 16,750 25,751 1,754 5,757 1,759 5,763 3,766 1,768 56,769 14,770 2,771 16,772 2,775 7,780 0.714,781 6,788 1,789 6,792 1,793 1,801 3,809 1,812 1,813 5,815 2,817 2,819 1,821 57,824 1,828 20,829 2,830 1,833 2,834 4,835 1,836 1,839 1,840 5.3,843 5,844 1,847 29.333,848 20.393,849 12.236,850 7.152,851 2.739,852 1.29,853 0.971,854 13.772,855 12.181,856 4.344,857 4.896,858 5.352,859 5.862,860 6.344,861 6.591,862 6.973,863 7.265,864 7.356,865 7.544,866 1,867 94,868 21.99,870 10.116,871 7.813,872 41.591,874 36.038,877 2.313,878 131.833,882 635.64,883 196.659,884 63.699,886 130.748,887 14.96,888 37.085,889 159.573,890 766.387,891 78.659,892 17.65,893 65.826,894 79.07,895 180.587,896 15.947,897 15.706,898 666.917,900 635.64,901 223.272,902 145.708,903 37.085,905 579.973,906 190.374,907 11,909 106.08,910 82.396,911 40.604,912 31.278,913 650.6,914 194.446,915 196.659,917 5.807,918 635.64,919 116.343,920 87.005,921 34.416,922 162.493,923 635.64,924 209.406,925 196.659,927 0.59,928 0.337,929 0.178,930 0.101,931 43,932 20,933 0.101,934 12,935 2,936 1.108,937 6.107,938 665.716,939 0.108,940 37,941 313.72,942 1,944 1,945 42.248,946 18.581,947 10.658,948 1.75,949 209.406,950 11.338,951 4.734,954 1.443,955 2.848,957 34.416,958 1041.7,959 76,962 -4.269,964 69.708,968 -0.234,969 113.432,970 128.304,971 0.245,972 0.527,973 0.76,974 0.873,975 0.876,976 0.876,977 5.638,978 2.484,979 6.611,980 8.541,981 5.209,982 5.585,983 3.215,984 7.462,985 5.115,986 6.841,987 2.348,988 8.201,989 7.152,990 4.977,991 5.624,992 2.659,993 8.613,994 4.844,995 8.173,996 2.204,997 9.899,998 6.834,999 6.895,1000 7.767,1001 4.139,1002 11.642,1003 6.709,1004 9.54,1005 2.166,1006 11.662,1007 6.699,1008 7.456,1009 8.647,1010 4.258,1011 13.608,1012 7.226,1013 10.945,1014 1.818,1015 13.469,1016 6.552,1017 8.89,1018 10.36,1019 5.334,1020 16.244,1021 8.611,1022 12.376,1023 1.741,1024 15.306,1025 5.569,1026 9.796,1027 11.606,1028 5.728,1029 18.54,1030 9.466,1031 13.828,1032 1.62,1033 17.166,1034 4.994,1035 11.059,1036 13.189,1037 6.616,1038 21.082,1039 10.68,1040 3.491,1041 1.532,1042 19.044,1043 4.312,1044 12.121,1045 14.596,1046 7.144,1047 23.519,1048 11.688,1049 3.229,1050 13.117,1051 20.939,1052 4.085,1053 13.328,1054 16.14,1055 7.935,1056 26.049,1057 12.845,1058 3.02,1059 11.149,1060 22.846,1061 4.768,1062 14.464,1063 17.618,1064 8.533,1065 28.55,1066 13.925,1067 2.914,1068 9.825,1069 24.765,1070 4.402,1071 15.658,1072 19.154,1073 9.274,1074 31.088,1075 15.067,1076 2.87,1077 9.425,1078 26.694,1079 3.86,1080 16.831,1081 20.665,1082 9.909,1083 33.62,1084 16.184,1085 2.771,1086 8.988,1087 28.632,1088 3.269,1089 18.029,1090 22.201,1091 10.622,1092 36.168,1093 17.327,1094 2.679,1095 8.734,1096 30.579,1097 3.179,1098 19.223,1099 23.729,1100 11.277,1101 38.717,1102 18.464,1103 67065,1104 106628,1105 41.838,1106 73.035,1107 95.478,1108 99.73,1109 96.959,1110 94.775,1111 94.768,1112 112.785,1113 19.556,1114 280.584,1115 90.289,1116 5.913,1117 6.713,1118 7.245,1119 5.536,1120 5.491,1121 7.768,1122 3.465,1123 21.141,1124 5.293,1125 30.754,1126 1.516,1127 1.583,1128 1.539,1129 1.504,1130 1.504,1131 1.79,1132 0.31,1133 4.454,1134 1.433,1135 4.152,1136 4.159,1137 4.74,1138 4.121,1139 8.196,1140 4.063,1141 4.042,1142 4.055,1143 4.319,1144 4.038,1145 7.717,1146 3.988,1147 3.908,1148 3.964,1149 3.901,1150 3.763,1151 7.431,1152 3.76,1153 3.892,1154 3.946,1155 3.81,1156 3.749,1157 7.425,1158 3.709,1159 3.819,1160 3.838,1161 3.775,1162 3.677,1163 7.425,1164 3.672,1165 3.779,1166 3.831,1167 3.678,1168 3.581,1169 6.999,1170 3.587,1171 3.664,1172 3.715,1173 3.548,1174 3.523,1175 4.965,1176 3.524,1177 3.569,1178 3.6,1179 3.529,1180 3.449,1181 4.71,1182 3.42,1183 0.078,1184 0.075,1185 0.118,1186 0.07,1187 0.055,1188 4.913,1189 0.076,1190 4.713,1191 0.032,1192 7.443,1193 0.208,1194 4.425,1195 0.052,1196 3.491,1197 4.768,1198 1.989,1199 13.117,1200 3.293,1201 2.039,1202 2.032,1203 2.118,1204 2.123,1205 1.468,1206 2.143,1207 1.898,1208 1.88,1209 2.076,1210 2.05,1211 1.429,1212 2.059,1213 1.876,1214 1.823,1215 1.999,1216 2.041,1217 1.31,1218 2.032,1219 1.81,1220 1.747,1221 1.981,1222 1.965,1223 1.216,1224 1.979,1225 1.75,1226 1.726,1227 1.925,1228 1.954,1229 1.192,1230 1.945,1231 1.707,1232 1.658,1233 1.897,1234 1.893,1235 1.153,1236 1.926,1237 1.661,1238 1.612,1239 1.803,1240 1.823,1241 1.095,1242 1.841,1243 1.517,1244 1.501,1245 1.676,1246 1.696,1247 0.964,1248 1.712,1249 4.844,1251 6.196,1252 2.398,1253 7.732,1254 4.727,1255 9.35,1256 6.823,1257 11.012,1259 4.256,1261 13.099,1265 9.144,1266 6.215,1267 5.365,1270 -0.896,1271 7.459,1272 -0.127,1273 68.366,1274 188.647,1275 406.034,1276 585.582,1277 673.17,1278 675.17,1279 675.17,1280 181.706,1281 9.442,1282 144.49,1283 181.11,1284 41,1285 13.339,1286 4.459,1287 3.807,1288 88.892,1289 365,1290 485,1291 0.11,1292 418.026,1293 745.07,1294 1011.74,1295 225654,1296 0.9,1297 40.158,1298 0.705,1299 0.61,1300 40.054,1301 34.774,1302 27.369,1303 0.434,1304 0.359,1305 20.229,1306 24.982,1307 19.57,1308 15.998,1309 28.099,1310 22.641,1311 25.981,1312 0.286,1313 0.214,1314 27.551,1315 19.47,1316 21.043,1317 0.18,1318 0.122,1319 22.739,1320 14.332,1321 17.47,1322 0.114,1323 0.071,1324 19.231,1325 10.913,1326 14.485,1327 0.073,1328 0.041,1329 16.293,1330 8.167,1331 0.176,1332 184.882,1333 0.155,1334 47.738,1335 0.294,1336 308,1337 921.136,1338 402.376,1339 884.543,1340 1177.15,1341 824,1342 362,1343 780.847,1344 463.538,1345 834.326,1346 1228.14,1347 783,1348 4.914}
{0 CHEMBL263941,1 1.593,2 18.702,3 2.866,4 8.217,5 201.36,6 6.598,8 4.862,9 4.993,10 4.284,11 4.308,12 5.907,13 3.604,14 5.481,15 5.675,16 4.708,17 4.757,18 6.534,19 3.979,20 5.855,21 6.075,22 4.843,23 4.982,24 6.888,25 4.108,26 6.012,27 6.256,28 4.904,29 5.032,30 7.081,31 4.095,32 5.996,33 6.221,34 4.953,35 5.021,36 7.287,37 4.083,38 6.012,39 6.24,40 4.956,41 5.109,42 7.117,43 4.051,44 6.122,45 6.362,46 5.002,47 5.174,48 7.188,49 3.991,50 6.213,51 6.463,52 5.024,53 5.204,54 7.393,55 3.844,56 0.259,57 1.754,58 29.233,59 11.91,60 35.523,61 5.941,62 0.917,63 2.88,64 56.06,65 20.296,66 141.234,67 10.295,68 1.593,69 3.725,70 83.725,71 27.503,72 223.222,73 12.922,74 1.933,75 4.056,76 99.53,77 28.966,78 277.822,79 13.497,80 2.995,81 3.958,82 99.488,83 27.823,84 470.39,85 12.767,86 2.306,87 4.251,88 98.892,89 31.631,90 335.192,91 12.644,92 1.887,93 4.438,94 109.559,95 32.928,96 312.155,97 12.582,98 3.004,99 4.566,100 121.825,101 34.608,102 508.766,103 12.223,104 1,105 378,106 89,107 0.226,108 0.443,109 0.681,110 0.834,111 0.858,112 0.87,113 4.062,114 1.033,115 1.27,116 1.05,117 0.73,120 32,121 8,122 10,123 4,124 1,126 1,128 6,129 1,130 1,153 7,158 1,159 1,160 1,162 2,164 2,165 16,166 2,167 2,168 7,171 6,173 7,176 14,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 9,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 3,206 8,207 11,208 1,210 6,211 2,212 9,213 1,215 9,217 1,219 3,220 11,221 1,222 1,223 7,224 4,225 11,226 1,227 20,228 1,229 1,230 1,231 20,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 15,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 18,254 2,255 1,256 1,257 1,258 14,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 24,267 1,268 2,270 8900,271 36.158,272 36.158,273 36.158,274 36.158,275 36.158,276 35.117,277 38.451,278 20.7,279 36.617,280 29.436,281 29.436,282 29.436,283 29.436,284 29.436,285 27.517,286 42.998,287 9.68,288 30.177,289 5.337,290 3.81,291 2.131,292 1.056,293 0.886,294 0.804,295 4.735,303 2218,304 7.81,305 137.996,306 364.411,307 394.331,310 584.294,313 3.026,314 115.079,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 127.5,326 1066,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.164,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.282,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.196,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.841,368 3.146,369 1.956,370 9.149,371 2.796,372 3.882,373 3.612,374 6.098,375 3.732,376 2.757,377 3.017,378 1.928,379 8.792,380 2.697,381 3.764,382 3.585,383 6.063,384 3.58,385 2.621,386 2.909,387 1.905,388 8.591,389 2.567,390 3.619,391 3.527,392 5.799,393 3.532,394 2.561,395 2.69,396 0.632,397 7.733,398 2.373,399 3.527,400 3.315,401 5.639,402 3.186,403 2.179,404 2.626,405 0.382,406 6.574,407 2.166,408 3.452,409 2.756,410 5.302,411 3.072,412 2.068,413 2.604,414 0.265,415 6.094,416 2.055,417 3.247,418 2.622,419 4.69,420 3.051,421 2.056,422 2.274,423 0.159,424 5.159,425 2.02,426 3.004,427 2.442,428 4.66,429 2.929,430 1.962,431 2.005,432 0.107,433 5.09,434 1.891,435 2.972,436 2.316,437 4.652,438 2.812,439 1.8,440 1.972,441 0.014,442 4.605,443 1.812,444 2.769,445 2.23,446 4.633,447 2.614,448 1.62,449 1.734,451 4.429,452 1.604,453 2.639,454 2.154,455 4.555,456 2.56,457 1.547,458 1.604,460 3.936,461 1.56,462 26.233,463 0.46,464 2.145,465 0.038,466 47,467 0.825,468 10.5,469 0.184,470 36.5,471 0.64,472 98.911,473 1.735,474 69.767,475 0.572,476 52.582,477 0.922,478 7.634,479 0.134,480 18.979,481 0.333,482 0.282,483 0.038,484 0.384,490 0.855,491 1.545,492 0.931,493 1.379,494 0.657,495 0.915,496 0.549,497 1.343,498 0.827,499 1.225,500 0.439,501 0.981,502 0.966,503 1.165,504 1.045,505 1.175,506 0.875,507 1.068,508 1.241,509 1.169,510 1.014,511 1.091,512 1.048,513 0.956,514 1.175,515 1.063,516 1.063,517 0.995,518 1.1,519 0.959,520 1.021,521 1.149,522 1.047,523 1.162,524 0.977,525 0.92,526 1.022,527 1.121,528 1.039,529 1.093,530 0.942,531 1.017,532 0.955,533 0.928,534 1.022,535 0.92,536 1.008,537 0.966,538 16.5,539 0.758,540 9.111,541 6.097,542 4.704,543 2.653,544 2.2,545 1.711,546 1.404,547 1.007,548 64220,549 166841,550 1.898,551 53.3,552 28,553 8,554 1,556 8,557 4,558 14,559 2,560 1.884,561 1.693,562 4.138,563 4.197,569 194.402,570 1.593,571 3.12,572 4.799,573 5.875,574 6.045,575 6.127,576 3.597,577 5.482,578 5.806,579 4.382,580 6993.13,581 10.384,582 159264,587 845.55,588 1.745,589 5.698,590 0.275,591 0.008,592 0.105,593 0.065,594 0.048,595 0.026,596 0.021,597 0.016,598 0.013,599 0.01,600 0.586,601 0.17,602 0.5,603 2.406,604 357.345,605 -0.136,606 -0.096,607 0.013,608 -0.028,609 -0.057,610 0.03,611 0.192,612 -0.089,613 0.12,614 -0.028,615 0.145,616 -0.031,617 0.006,618 0.005,619 -0.055,620 -0.056,621 -0.047,622 -0.109,623 -0.125,624 -0.034,625 0.003,626 -0.007,627 -0.067,628 0.007,629 0.074,630 0.045,631 -0.016,632 0.05,633 0.113,634 -0.019,635 0.019,636 0.041,637 -0.047,638 -0.022,639 -0.01,640 0.036,641 -0.079,642 -0.083,643 -0.052,644 -0.084,645 -0.021,646 -0.047,647 0.052,648 0.011,649 -0.021,650 0.008,651 0.072,652 0.015,653 3.007,654 7.237,655 0.263,656 90.719,657 1.005,658 1.142,659 -2.499,660 6.245,661 0.608,662 4.111,663 4.5,664 4.762,665 5.004,666 5.204,667 5.338,668 5.455,669 5.58,670 5.617,671 5.663,672 11.12,673 0.651,674 804.91,675 4.111,676 5.7,677 6.564,678 7.478,679 8.374,680 9.298,681 10.211,682 11.143,683 12.068,684 13.008,685 4.9,686 1,692 5,720 122,721 1,723 7,725 60,727 125,728 39,735 4,736 7,741 8,742 1,744 1,745 6,746 3,748 16,749 7,750 32,751 5,754 7,759 7,763 7,768 65,769 17,770 8,771 18,775 6,780 0.5,781 11,786 1,787 1,788 2,789 2,792 2,800 4,801 1,802 2,807 1,811 2,813 2,817 8,821 57,822 1,827 2,828 11,829 4,830 2,832 1,833 11,834 1,835 2,840 9,842 2,843 7,844 2,847 33.667,848 23.183,849 12.403,850 8.011,851 0.168,852 1.019,853 0.959,854 16.226,855 9.082,856 4.22,857 4.644,858 4.905,859 5.165,860 5.403,861 5.464,862 5.591,863 5.746,864 5.743,865 5.814,866 1,867 94,868 21.853,870 9.942,871 8.073,872 40.51,874 34.751,877 2.573,878 146.667,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.597,928 0.342,929 0.173,930 0.094,931 38,932 24,933 0.16,934 20,935 3,936 1.333,937 5.706,938 642.513,939 0.4,940 14,941 326.475,945 47.085,946 19.643,947 10.972,949 150.083,957 60.694,958 547.756,959 67,964 90.504,968 -5.885,969 122.606,970 139.279,971 0.23,972 0.45,973 0.692,974 0.848,975 0.872,976 0.884,977 5.561,978 2.561,979 6.629,980 8.591,981 5.187,982 5.333,983 3.946,984 7.551,985 5.137,986 6.75,987 2.179,988 8.278,989 7.733,990 5.13,991 5.352,992 3.633,993 8.889,994 5.059,995 8.077,996 2.068,997 10.041,998 6.574,999 6.942,1000 7.194,1001 5.157,1002 12.025,1003 6.835,1004 9.432,1005 2.056,1006 11.877,1007 6.094,1008 7.674,1009 7.966,1010 5.443,1011 14.233,1012 7.548,1013 10.823,1014 1.962,1015 13.762,1016 5.159,1017 9.074,1018 9.382,1019 6.551,1020 17.03,1021 8.917,1022 12.237,1023 1.8,1024 15.684,1025 5.09,1026 10.13,1027 10.449,1028 7.097,1029 19.572,1030 9.956,1031 13.672,1032 1.62,1033 17.635,1034 4.605,1035 11.424,1036 11.745,1037 8.039,1038 22.305,1039 11.225,1040 3.847,1041 1.547,1042 19.61,1043 4.429,1044 12.619,1045 12.935,1046 8.718,1047 24.972,1048 12.404,1049 3.203,1050 15.757,1051 21.605,1052 3.936,1053 13.899,1054 14.206,1055 9.589,1056 27.704,1057 13.664,1058 3.173,1059 12.336,1060 23.616,1061 3.847,1062 15.159,1063 15.451,1064 10.339,1065 30.421,1066 14.908,1067 2.989,1068 11.03,1069 25.64,1070 3.454,1071 16.451,1072 16.728,1073 11.182,1074 33.16,1075 16.183,1076 2.841,1077 9.697,1078 27.676,1079 3.282,1080 17.744,1081 18.002,1082 11.971,1083 35.897,1084 17.46,1085 2.757,1086 9.149,1087 29.722,1088 3.196,1089 19.051,1090 19.291,1091 12.805,1092 38.644,1093 18.751,1094 2.621,1095 8.792,1096 31.775,1097 3.146,1098 20.364,1099 20.585,1100 13.616,1101 41.39,1102 20.048,1103 63248,1104 102422,1105 36.528,1106 74.217,1107 93.16,1108 97.709,1109 98.273,1110 91.967,1111 91.832,1112 99.203,1113 32.089,1114 282.133,1115 89.718,1116 5.847,1117 5.976,1118 8.016,1119 5.958,1120 5.847,1121 5.847,1122 3.925,1123 24.986,1124 5.774,1125 46.892,1126 1.553,1127 1.628,1128 1.638,1129 1.533,1130 1.531,1131 1.653,1132 0.535,1133 4.702,1134 1.495,1135 4.098,1136 4.13,1137 4.015,1138 4.014,1139 7.478,1140 3.921,1141 3.958,1142 4.006,1143 3.879,1144 3.792,1145 7.472,1146 3.837,1147 3.861,1148 3.909,1149 3.782,1150 3.687,1151 7.439,1152 3.649,1153 3.778,1154 3.827,1155 3.688,1156 3.647,1157 7.429,1158 3.473,1159 3.728,1160 3.786,1161 3.611,1162 3.594,1163 7.426,1164 3.293,1165 3.685,1166 3.741,1167 3.571,1168 3.539,1169 7.423,1170 3.068,1171 3.653,1172 3.698,1173 3.517,1174 3.484,1175 7.421,1176 2.932,1177 3.531,1178 3.576,1179 3.395,1180 3.41,1181 6.352,1182 2.771,1183 0.081,1184 0.066,1185 0.136,1186 0.08,1187 0.064,1188 4.847,1189 0.064,1190 3.976,1191 0.039,1192 8.155,1193 0.263,1194 4.827,1195 0.063,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.816,1208 1.769,1209 2.004,1210 2.019,1211 1.326,1212 2.005,1213 1.766,1214 1.718,1215 1.996,1216 1.964,1217 1.277,1218 1.892,1219 1.747,1220 1.696,1221 1.959,1222 1.922,1223 1.239,1224 1.772,1225 1.696,1226 1.644,1227 1.913,1228 1.886,1229 1.216,1230 1.588,1231 1.616,1232 1.572,1233 1.861,1234 1.827,1235 1.205,1236 1.503,1237 1.613,1238 1.56,1239 1.814,1240 1.799,1241 1.05,1242 1.389,1243 1.506,1244 1.437,1245 1.735,1246 1.727,1247 0.994,1248 1.224,1249 4.796,1251 6.184,1252 3.045,1253 7.758,1254 5.416,1255 9.434,1256 7.564,1257 11.177,1259 15.662,1263 5.647,1264 18.232,1265 4.176,1266 10.861,1267 13.286,1269 -0.611,1270 -6.442,1271 1.507,1272 -0.271,1273 33.733,1274 194.402,1275 380.695,1276 585.537,1277 716.756,1278 737.511,1279 747.511,1280 330.843,1281 8.914,1282 255.79,1283 255.79,1284 20,1285 13.507,1286 3,1287 3,1288 129.3,1289 382,1290 380,1291 0.159,1292 428.994,1293 813.91,1294 1038.51,1295 116403,1297 42.568,1298 0.747,1299 0.611,1300 42.568,1301 34.8,1302 26.613,1303 0.444,1304 0.344,1305 20.401,1306 25.453,1307 19.695,1308 16.348,1309 26.613,1310 20.661,1311 25.971,1312 0.292,1313 0.202,1314 25.971,1315 17.943,1316 20.174,1317 0.174,1318 0.111,1319 20.174,1320 12.821,1321 16.07,1322 0.109,1323 0.061,1324 16.07,1325 9.056,1326 12.272,1327 0.068,1328 0.034,1329 12.272,1330 6.152,1331 0.256,1332 168.337,1333 0.165,1334 47.551,1335 0.424,1336 298,1337 910.575,1338 337.816,1339 843.442,1340 1090.56,1341 776,1342 354,1343 747.218,1344 391.608,1345 742.413,1346 1095.2,1347 697,1348 5.678}
{0 CHEMBL26448,1 1.707,2 14.756,3 1.973,4 3.892,5 162.637,6 7.688,7 0.25,8 4.479,9 4.603,10 4.044,11 3.973,12 5.642,13 3.969,14 5.043,15 5.219,16 4.441,17 4.361,18 6.311,19 4.338,20 5.372,21 5.573,22 4.626,23 4.545,24 6.808,25 4.506,26 5.467,27 5.692,28 4.541,29 4.531,30 6.728,31 4.485,32 5.426,33 5.641,34 4.618,35 4.483,36 6.859,37 4.475,38 5.415,39 5.617,40 4.681,41 4.475,42 6.965,43 4.488,44 5.408,45 5.597,46 4.647,47 4.48,48 6.895,49 4.493,50 5.445,51 5.652,52 4.628,53 4.466,54 6.885,55 4.481,56 0.168,57 1.33,58 15.585,59 7.199,60 33.784,61 9.197,62 0.758,63 2.249,64 31.526,65 12.034,66 103.025,67 16.048,68 1.6,69 2.619,70 48.032,71 16.162,72 264.98,73 22.005,74 1.499,75 2.73,76 55.827,77 16.819,78 249.603,79 22.949,80 1.65,81 2.754,82 53.904,83 16.162,84 286.751,85 20.939,86 1.849,87 2.702,88 52.714,89 14.932,90 303.028,91 19.664,92 1.612,93 2.87,94 51.512,95 15.516,96 261.894,97 18.943,98 1.745,99 2.937,100 55.957,101 16.33,102 303.144,103 19.473,105 82,106 67,107 0.259,108 0.582,109 0.765,110 0.846,111 0.862,112 0.862,113 3.832,114 0.919,115 -3.24,116 -3.23,117 -3.1,120 39.5,121 1,122 5,126 4,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,165 17,167 3,168 4,171 2,173 1,176 18,181 1,182 7,184 3,185 7,187 1,190 11,194 2,195 9,198 1,200 2,203 2,206 5,207 14,210 3,211 1,212 7,217 1,219 1,220 10,222 1,223 1,224 1,225 8,226 1,229 2,230 3,231 15,234 1,236 6,239 1,242 2,244 3,245 14,248 3,250 7,253 3,256 3,258 12,260 1,261 1,263 2,266 6,268 1,270 5120,271 29.584,272 29.584,273 29.584,274 29.584,275 29.584,276 27.015,277 30.318,278 17.448,279 29.965,280 23.602,281 23.602,282 23.602,283 23.602,284 23.602,285 19.552,286 27.805,287 8.268,288 24.225,289 4.633,290 2.497,291 1.294,292 0.759,293 0.651,294 0.651,295 4.517,303 1402,304 5.477,307 524.406,308 214.492,313 2.305,314 94.285,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 101,326 664,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.814,342 1.991,343 10.975,344 3.034,345 4.042,346 3.726,347 6.024,348 3.743,349 2.781,350 3.518,351 1.971,352 8.545,353 2.673,354 3.958,355 3.594,356 5.981,357 3.672,358 2.69,359 3.451,360 1.901,361 8.344,362 2.644,363 3.93,364 3.434,365 5.958,366 3.641,367 2.645,368 3.102,369 1.268,370 8.23,371 2.612,372 3.726,373 3.054,374 5.319,375 3.387,376 2.389,377 2.936,378 1.25,379 6.735,380 2.375,381 3.594,382 2.885,383 5.275,384 3.207,385 2.219,386 2.877,387 0.78,388 6.36,389 2.188,390 3.447,391 2.676,392 5.05,393 3.106,394 2.094,395 2.594,396 0.597,397 5.859,398 2.108,399 3.1,400 2.544,401 4.814,402 2.867,403 1.878,404 2.149,405 0.316,406 4.904,407 1.856,408 2.986,409 2.377,410 4.576,411 2.674,412 1.703,413 2.092,414 0.163,415 4.495,416 1.639,417 2.922,418 2.142,419 4.274,420 2.569,421 1.592,422 2.01,423 0.129,424 3.874,425 1.544,426 2.915,427 1.988,428 4.21,429 2.392,430 1.414,431 1.955,433 3.659,434 1.372,435 2.718,436 1.849,437 3.73,438 2.389,439 1.41,440 1.702,442 3.079,443 1.369,444 2.61,445 1.585,446 3.605,447 2.237,448 1.247,449 1.638,451 2.911,452 1.233,453 2.5,454 1.491,455 3.51,456 2.214,457 1.215,458 1.5,460 2.606,461 1.198,462 20.638,463 0.459,464 1.291,465 0.029,466 51.5,467 1.144,468 22.5,469 0.5,470 29,471 0.644,472 48.952,473 1.088,474 50.762,475 0.627,476 56.168,477 1.248,478 10.497,479 0.233,480 10.97,481 0.244,482 0.152,483 0.024,484 0.305,486 2,490 0.627,491 1.233,492 0.747,493 1.149,494 0.565,495 1.006,496 0.594,497 1.121,498 0.806,499 1.117,500 0.561,501 1.034,502 0.647,503 0.941,504 0.866,505 1.049,506 0.692,507 1.029,508 1.089,509 0.999,510 1.024,511 0.994,512 1.103,513 0.991,514 1.232,515 1.151,516 0.965,517 0.958,518 1.239,519 0.897,520 1.17,521 1.031,522 0.909,523 0.895,524 1.167,525 0.838,526 1.53,527 1.288,528 1.125,529 1.065,530 1.57,531 0.997,532 1.719,533 1.278,534 1.124,535 0.923,536 1.775,537 0.873,538 10,539 0.504,540 6.222,541 3.688,542 2.733,543 2.118,544 1.5,545 1.15,546 0.9,547 0.729,548 34009,549 97798,550 1.988,551 44.4,552 7,553 18,554 1,556 4,558 6,560 1.834,561 1.831,562 3.809,563 1.403,569 138.291,570 1.707,571 3.843,572 5.046,573 5.58,574 5.689,575 5.689,576 3.267,577 5.092,578 5.463,579 4.039,580 3998.72,581 9.719,582 75617,587 513.528,588 1.609,589 5.399,590 0.208,591 0.007,592 0.093,593 0.049,594 0.04,595 0.028,596 0.019,597 0.015,598 0.012,599 0.01,600 0.48,601 0.17,602 0.63,603 0.586,604 262.146,605 -0.054,606 -0.111,607 0.02,608 -0.021,609 -0.05,610 0.014,611 0.156,612 -0.022,613 0.064,614 -0.066,615 0.102,616 -0.037,617 0.276,618 0.055,619 0.078,620 -0.05,621 0.213,622 -0.05,623 -0.05,624 -0.042,625 -0.024,626 -0.031,627 -0.057,628 -0.023,629 0.011,630 -0.037,631 0.069,632 0.012,633 0.008,634 0.051,635 0.096,636 0.01,637 0.12,638 0.048,639 0.13,640 0.084,641 -0.113,642 -0.084,643 -0.086,644 -0.083,645 -0.108,646 -0.076,647 -0.197,648 -0.042,649 -0.04,650 0.048,651 -0.201,652 0.048,653 5.825,654 7.319,655 0.556,656 58.484,657 1.017,658 1.14,659 2.014,660 4.056,661 0.646,662 3.892,663 4.22,664 4.454,665 4.625,666 4.82,667 4.89,668 4.905,669 4.997,670 5.037,671 5.088,672 8.966,673 0.628,674 622.74,675 3.892,676 5.442,677 6.282,678 7.152,679 8.011,680 8.887,681 9.754,682 10.633,683 11.504,684 12.387,685 7.4,686 1,692 4,694 1,699 9,704 3,706 12,720 81,723 19,724 2,725 48,727 84,728 32,729 12,730 3,731 9,732 4,735 4,736 4,741 1,743 1,745 4,748 7,749 20,750 12,754 7,759 5,761 1,762 1,763 7,766 2,768 36,769 13,770 4,771 13,775 6,776 1,780 1,781 5,789 3,790 1,798 1,800 2,801 2,805 1,807 1,813 4,817 1,819 2,821 45,822 1,828 9,829 2,833 1,834 2,835 1,839 2,840 6.2,843 5,847 24.583,848 14.469,849 9.917,850 4.888,851 2.198,852 1.277,853 0.958,854 11.465,855 10.126,856 4.127,857 4.625,858 5.063,859 5.43,860 5.884,861 5.973,862 6.23,863 6.475,864 6.702,865 6.825,866 0.9,867 76,868 17.661,870 8.563,871 8.206,872 30.986,874 25.334,877 2.706,878 121.75,882 376.675,883 164.672,884 91.953,886 125.725,887 29.92,889 164.672,890 502.4,891 121.873,892 8.825,893 105.31,894 85.286,895 154.761,896 58.087,897 11.771,898 364.904,900 376.675,901 256.625,902 155.645,905 306.049,906 226.271,908 1.824,909 121.874,910 130.17,911 2.757,913 406.595,914 217.677,915 164.672,918 378.499,919 59.689,920 109.407,921 36.022,922 205.328,923 376.675,924 247.598,925 164.672,927 0.586,928 0.342,929 0.169,930 0.092,931 28,932 15,933 0.131,934 11,936 1,937 5.087,938 462.119,940 25,941 233.133,945 33.795,946 15.267,947 8.761,949 247.598,950 15.086,955 1.804,957 68.919,958 788.945,959 61,964 64.527,966 1.16,967 4.209,968 -6.154,969 82.41,970 92.359,971 0.269,972 0.606,973 0.796,974 0.88,975 0.897,976 0.897,977 5.389,978 2.094,979 6.293,980 6.36,981 4.905,982 5.313,983 3.848,984 7.128,985 4.851,986 6.584,987 1.878,988 7.884,989 5.859,990 4.635,991 5.121,992 3.854,993 8.28,994 4.509,995 7.892,996 1.703,997 9.592,998 4.904,999 6.555,1000 7.347,1001 5.485,1002 11.363,1003 6.416,1004 9.232,1005 1.592,1006 11.374,1007 4.495,1008 7.116,1009 7.919,1010 6.366,1011 13.401,1012 6.885,1013 10.606,1014 1.414,1015 13.208,1016 3.874,1017 8.55,1018 9.67,1019 7.687,1020 16.102,1021 8.292,1022 12.004,1023 1.41,1024 15.081,1025 3.659,1026 9.481,1027 10.585,1028 8.847,1029 18.48,1030 9.126,1031 13.422,1032 1.247,1033 16.983,1034 3.079,1035 10.753,1036 12.144,1037 10.113,1038 21.087,1039 10.351,1040 3.517,1041 1.215,1042 18.908,1043 2.911,1044 11.848,1045 13.234,1046 11.348,1047 23.596,1048 11.353,1049 3.173,1050 13.509,1051 20.853,1052 2.606,1053 13.074,1054 14.699,1055 12.607,1056 26.184,1057 12.517,1058 2.781,1059 10.975,1060 22.814,1061 3.937,1062 14.243,1063 15.889,1064 13.86,1065 28.743,1066 13.597,1067 2.69,1068 8.545,1069 24.787,1070 3.814,1071 15.462,1072 17.303,1073 15.119,1074 31.332,1075 14.745,1076 2.645,1077 8.344,1078 26.771,1079 3.518,1080 16.665,1081 18.553,1082 16.376,1083 33.913,1084 15.864,1085 2.389,1086 8.23,1087 28.764,1088 3.451,1089 17.889,1090 19.939,1091 17.636,1092 36.505,1093 17.012,1094 2.219,1095 6.735,1096 30.764,1097 3.102,1098 19.11,1099 21.226,1100 18.895,1101 39.095,1102 18.151,1103 32816,1104 56003,1105 30.917,1106 52.364,1107 72.996,1108 75.472,1109 74.318,1110 71.13,1111 70.966,1112 87.279,1113 27.78,1114 204.407,1115 69.195,1116 5.626,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.661,1124 5.271,1125 27.394,1126 1.521,1127 1.572,1128 1.548,1129 1.482,1130 1.478,1131 1.818,1132 0.579,1133 4.258,1134 1.442,1135 4.012,1136 4.049,1137 3.962,1138 3.915,1139 8.363,1140 3.918,1141 3.934,1142 3.966,1143 3.875,1144 3.863,1145 7.999,1146 3.858,1147 3.865,1148 3.922,1149 3.773,1150 3.706,1151 7.438,1152 3.707,1153 3.785,1154 3.821,1155 3.723,1156 3.616,1157 7.428,1158 3.641,1159 3.75,1160 3.782,1161 3.7,1162 3.558,1163 7.424,1164 3.591,1165 3.583,1166 3.635,1167 3.499,1168 3.361,1169 7.422,1170 3.387,1171 3.458,1172 3.495,1173 3.379,1174 3.224,1175 7.411,1176 3.258,1177 3.291,1178 3.364,1179 3.19,1180 3.125,1181 5.077,1182 3.107,1183 0.096,1184 0.097,1185 0.16,1186 0.093,1187 0.073,1188 4.631,1189 0.082,1190 4.65,1191 0.073,1192 7.668,1193 0.281,1194 4.449,1195 0.068,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.336,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.244,1212 2.031,1213 1.713,1214 1.675,1215 1.975,1216 1.938,1217 1.193,1218 1.919,1219 1.712,1220 1.647,1221 1.887,1222 1.895,1223 1.161,1224 1.912,1225 1.69,1226 1.642,1227 1.822,1228 1.873,1229 0.952,1230 1.883,1231 1.625,1232 1.585,1233 1.749,1234 1.84,1235 0.881,1236 1.812,1237 1.441,1238 1.389,1239 1.646,1240 1.708,1241 0.818,1242 1.687,1243 1.314,1244 1.265,1245 1.537,1246 1.558,1247 0.63,1248 1.547,1249 4.575,1251 5.9,1253 7.409,1254 2.708,1255 9.004,1256 4.977,1257 10.645,1259 1.83,1261 30.639,1263 5.768,1265 2.638,1266 4.179,1270 -1.853,1271 2.493,1272 -4.575,1273 50.898,1274 138.291,1275 311.307,1276 408.734,1277 452.018,1278 460.773,1279 460.773,1280 184.967,1281 7.929,1282 156.49,1283 156.49,1284 25,1285 12.924,1286 4.322,1287 3.807,1288 87.765,1289 232,1290 261,1291 0.171,1292 313.239,1293 578.69,1294 756.063,1295 32984,1296 2.5,1297 32.562,1298 0.724,1299 0.554,1300 30.769,1301 24.931,1302 21.467,1303 0.447,1304 0.306,1305 14.471,1306 20.543,1307 14.204,1308 11.736,1309 20.706,1310 14.709,1311 19.667,1312 0.294,1313 0.165,1314 18.474,1315 11.024,1316 16.312,1317 0.192,1318 0.089,1319 14.799,1320 7.54,1321 12.079,1322 0.12,1323 0.051,1324 11.686,1325 5.141,1326 9.548,1327 0.078,1328 0.028,1329 9.455,1330 3.432,1331 0.27,1332 135.908,1333 0.18,1334 39.366,1335 0.467,1336 230,1337 857.813,1338 263.368,1339 765.613,1340 991.99,1341 706,1342 267,1343 683.158,1344 301.897,1345 674.844,1346 997.98,1347 633,1348 5.492}
{0 CHEMBL26494,1 1.794,2 11.257,3 0.914,4 0.836,5 123.147,6 8.337,7 0.324,8 4.16,9 4.278,10 3.784,11 3.667,12 5.441,13 3.682,14 4.671,15 4.821,16 4.202,17 4.033,18 6.118,19 4.041,20 4.965,21 5.127,22 4.367,23 4.177,24 6.639,25 4.175,26 5.067,27 5.275,28 4.275,29 4.172,30 6.465,31 4.162,32 5.035,33 5.215,34 4.347,35 4.189,36 6.538,37 4.195,38 5.112,39 5.312,40 4.402,41 4.21,42 6.643,43 4.226,44 5.102,45 5.283,46 4.344,47 4.187,48 6.637,49 4.2,50 5.087,51 5.296,52 4.246,53 4.116,54 6.552,55 4.116,56 0.214,57 0.998,58 9.482,59 4.912,60 42.133,61 5.656,62 0.663,63 1.693,64 18.661,65 8.319,66 112.44,67 9.962,68 1.352,69 1.886,70 27.76,71 10.517,72 255.132,73 12.786,74 1.334,75 1.961,76 35.396,77 11.079,78 232.502,79 13.746,80 1.214,81 1.97,82 31.554,83 11.084,84 216.186,85 13.076,86 1.366,87 2.02,88 36.365,89 11.379,90 233.297,91 14.026,92 1.399,93 2.112,94 35.06,95 11.576,96 234.542,97 12.957,98 1.392,99 1.932,100 37.3,101 11.285,102 253.715,103 13.527,105 85,106 53,107 0.291,108 0.633,109 0.776,110 0.861,111 0.886,112 0.886,113 3.589,114 0.85,115 -2.81,116 -2.82,117 -2.73,120 41.4,121 1,122 1,126 1,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 4,158 2,159 2,160 2,165 14,167 2,168 2,170 1,171 2,173 1,176 16,181 1,182 5,184 3,185 5,187 1,190 10,194 2,195 7,197 1,198 1,200 2,203 2,206 3,207 12,210 3,211 1,212 5,214 1,217 2,219 1,220 10,222 1,223 1,224 1,225 6,226 1,229 3,230 1,231 13,233 1,234 1,236 6,239 1,242 4,244 3,245 10,247 1,248 1,250 7,253 3,256 5,258 8,260 1,261 1,263 2,266 6,268 2,270 2241,271 22.532,272 22.532,273 22.532,274 22.532,275 22.532,276 20.041,277 21.962,278 13.023,279 22.776,280 18.158,281 18.158,282 18.158,283 18.158,284 18.158,285 14.372,286 19.566,287 6.131,288 18.604,289 4.064,290 1.954,291 1.07,292 0.543,293 0.392,294 0.392,295 4.261,302 1,303 817,304 4.95,307 390.072,313 1.45,314 74.185,317 1,318 0.67,319 0.83,320 0.8,322 0.83,323 0.5,324 0.66,325 79.5,326 394,327 4.618,328 4.642,329 7.646,330 4.436,331 3.505,332 3.937,333 3.523,334 13.367,335 3.259,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.799,342 1.972,343 10.975,344 3.034,345 4.042,346 3.59,347 5.965,348 3.671,349 2.687,350 3.518,351 1.898,352 8.302,353 2.647,354 3.942,355 3.42,356 5.95,357 3.64,358 2.645,359 3.45,360 1.254,361 8.21,362 2.614,363 3.722,364 3.054,365 5.305,366 3.385,367 2.387,368 2.934,369 1.234,370 6.719,371 2.372,372 3.592,373 2.857,374 5.266,375 3.201,376 2.215,377 2.873,378 0.78,379 6.335,380 2.18,381 3.42,382 2.67,383 5.028,384 3.08,385 2.067,386 2.56,387 0.315,388 5.805,389 2.084,390 3.094,391 2.544,392 4.77,393 2.66,394 1.688,395 2.14,396 0.155,397 4.78,398 1.627,399 2.929,400 2.142,401 4.445,402 2.504,403 1.493,404 2.075,406 3.662,407 1.501,408 2.915,409 1.988,410 4.209,411 2.389,412 1.414,413 2.01,415 3.45,416 1.372,417 2.66,418 1.849,419 3.614,420 2.277,421 1.294,422 1.645,424 2.968,425 1.246,426 2.609,427 1.491,428 3.482,429 2.117,430 1.125,431 1.599,433 2.541,434 1.113,435 2.5,436 1.475,437 3.411,438 2,439 1,440 1.5,442 2.136,443 1,444 2.145,445 1.165,446 3.247,447 1.661,448 0.651,449 0.848,451 1.648,452 0.631,453 1.916,454 1,455 3.178,456 1.384,457 0.368,458 0.49,460 0.924,461 0.367,462 15.905,463 0.454,464 1.171,465 0.033,466 43.25,467 1.236,468 21,469 0.6,470 22.25,471 0.636,472 31.611,473 0.903,474 38.695,475 0.667,476 44.344,477 1.267,478 9.248,479 0.264,480 7.253,481 0.207,482 0.201,483 0.031,484 0.34,486 2,490 0.652,491 1.071,492 0.701,493 1.01,494 0.636,495 0.89,496 0.582,497 1.081,498 0.701,499 1.09,500 0.594,501 0.975,502 0.66,503 0.98,504 0.898,505 1.12,506 0.71,507 1.111,508 1.08,509 0.924,510 1.03,511 0.909,512 1.064,513 0.936,514 1.042,515 1.1,516 1.013,517 1.082,518 1.041,519 1.046,520 1.014,521 0.943,522 0.887,523 0.892,524 0.973,525 0.847,526 1.38,527 1.156,528 1.192,529 1.11,530 1.393,531 1.091,532 1.267,533 1.017,534 1.073,535 0.919,536 1.313,537 0.928,538 9,539 0.351,540 5.111,541 2.938,542 2.298,543 1.681,544 1.2,545 0.847,546 0.678,547 0.554,548 15579,549 54713,550 1.939,551 39.7,552 3,553 12,554 1,556 5,558 2,560 1.775,561 1.757,562 3.442,563 2.332,565 1,569 104.072,570 1.794,571 3.904,572 4.788,573 5.315,574 5.466,575 5.466,576 2.752,577 4.729,578 5.105,579 3.628,580 2158.42,581 9.006,582 33575.5,587 339.763,588 1.704,589 5.016,590 0.243,591 0.007,592 0.096,593 0.051,594 0.043,595 0.029,596 0.02,597 0.015,598 0.013,599 0.011,600 0.529,601 0.17,602 0.88,603 1.09,604 187.055,605 -0.084,606 -0.025,607 -0.007,608 0.048,609 -0.101,610 0.057,611 0.176,612 -0.002,613 0.112,614 -0.049,615 0.112,616 -0.01,617 0.299,618 0.035,619 0.002,620 -0.127,621 0.251,622 -0.171,623 -0.065,624 0.052,625 -0.037,626 0.051,627 -0.066,628 0.028,629 -0.018,630 -0.075,631 -0.067,632 -0.103,633 -0.019,634 -0.102,635 -0.008,636 -0.035,637 0.1,638 0.051,639 0.047,640 0.105,641 -0.168,642 -0.06,643 -0.197,644 -0.132,645 -0.155,646 -0.162,647 -0.148,648 -0.084,649 -0.038,650 0.028,651 -0.147,652 0.031,653 5.755,654 6.153,655 0.514,656 32.426,657 1.029,658 1.141,659 1.577,660 2.487,661 0.661,662 3.638,663 3.989,664 4.22,665 4.382,666 4.585,667 4.625,668 4.673,669 4.754,670 4.796,671 4.812,672 7.061,673 0.655,674 483.52,675 3.638,676 5.198,677 6.043,678 6.923,679 7.789,680 8.673,681 9.546,682 10.433,683 11.309,684 12.197,685 8.6,686 1,692 3,694 1,699 9,704 3,706 12,720 58,723 18,724 2,725 37,727 60,728 24,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 19,750 5,754 6,759 4,761 1,762 1,763 6,766 2,768 23,769 11,770 5,771 11,775 5,776 1,780 1,781 4,789 3,798 1,799 1,800 1,801 1,805 1,807 1,813 3,817 1,819 2,821 35,822 2,828 2,829 1,833 1,834 1,835 1,839 2,840 6.9,843 4,847 19.917,848 10.436,849 7.639,850 3.117,851 2.468,852 1.334,853 0.963,854 7.903,855 9.861,856 3.912,857 4.454,858 4.913,859 5.31,860 5.785,861 5.868,862 6.154,863 6.408,864 6.647,865 6.758,866 1,867 58,868 13.687,870 6.762,871 8.417,872 23.279,874 18.754,877 2.917,878 102.083,882 211.88,883 143.512,884 103.715,886 100.58,887 29.92,889 143.512,890 312.46,891 133.635,892 8.825,893 100.617,894 85.286,895 124.912,896 58.087,897 11.771,898 200.109,900 211.88,901 247.227,902 130.5,905 188.338,906 154.042,908 1.824,909 117.18,910 125.466,911 2.757,913 241.8,914 204.295,915 143.512,918 213.704,919 38.529,920 106.283,921 18.011,922 213.08,923 211.88,924 234.215,925 143.512,927 0.595,928 0.348,929 0.166,930 0.091,931 23,932 13,933 0.15,934 9,936 1,937 4.237,938 328.647,940 18,941 171.525,945 25.888,946 10.685,947 6.044,949 234.215,950 15.035,955 1.841,957 83.805,958 589.607,959 49,964 49.246,966 1.156,967 4.158,968 -5.766,969 59.68,970 66.161,971 0.306,972 0.666,973 0.817,974 0.907,975 0.933,976 0.933,977 5.176,978 1.688,979 6.08,980 5.805,981 4.673,982 5.142,983 3.672,984 6.942,985 4.621,986 6.403,987 1.493,988 7.694,989 4.78,990 4.511,991 5.007,992 3.758,993 8.167,994 4.381,995 7.727,996 1.414,997 9.424,998 3.662,999 6.361,1000 7.229,1001 5.391,1002 11.237,1003 6.224,1004 9.083,1005 1.294,1006 11.226,1007 3.45,1008 6.995,1009 7.82,1010 6.323,1011 13.309,1012 6.759,1013 10.47,1014 1.125,1015 13.077,1016 2.968,1017 8.402,1018 9.587,1019 7.651,1020 16.007,1021 8.141,1022 11.879,1023 1,1024 14.964,1025 2.541,1026 9.374,1027 10.507,1028 8.83,1029 18.394,1030 9.012,1031 13.306,1032 0.651,1033 16.879,1034 2.136,1035 10.641,1036 12.082,1037 10.101,1038 20.997,1039 10.232,1040 3.505,1041 0.368,1042 18.816,1043 1.648,1044 11.757,1045 13.174,1046 11.341,1047 23.502,1048 11.254,1049 3.173,1050 13.367,1051 20.77,1052 0.924,1053 12.985,1054 14.651,1055 12.601,1056 26.083,1057 12.419,1058 2.687,1059 10.975,1060 22.738,1061 3.937,1062 14.165,1063 15.842,1064 13.856,1065 28.634,1066 13.511,1067 2.645,1068 8.302,1069 24.718,1070 3.799,1071 15.387,1072 17.264,1073 15.115,1074 31.212,1075 14.661,1076 2.387,1077 8.21,1078 26.706,1079 3.518,1080 16.595,1081 18.514,1082 16.373,1083 33.782,1084 15.787,1085 2.215,1086 6.719,1087 28.703,1088 3.45,1089 17.821,1090 19.905,1091 17.633,1092 36.364,1093 16.937,1094 2.067,1095 6.335,1096 30.705,1097 2.934,1098 19.044,1099 21.193,1100 18.892,1101 38.943,1102 18.08,1103 15473,1104 29214,1105 23.175,1106 38.335,1107 57.387,1108 58.81,1109 58.586,1110 55.683,1111 55.544,1112 70.884,1113 22.265,1114 163.927,1115 54.203,1116 5.584,1117 6.642,1118 7.448,1119 5.506,1120 5.505,1121 6.937,1122 5.245,1123 21.393,1124 5.259,1125 23.332,1126 1.551,1127 1.589,1128 1.583,1129 1.505,1130 1.501,1131 1.916,1132 0.602,1133 4.43,1134 1.465,1135 4.004,1136 4.039,1137 3.957,1138 3.912,1139 8.363,1140 3.914,1141 3.931,1142 3.962,1143 3.87,1144 3.863,1145 7.999,1146 3.858,1147 3.785,1148 3.82,1149 3.739,1150 3.617,1151 7.438,1152 3.644,1153 3.744,1154 3.772,1155 3.707,1156 3.55,1157 7.429,1158 3.585,1159 3.532,1160 3.576,1161 3.475,1162 3.275,1163 7.424,1164 3.318,1165 3.314,1166 3.37,1167 3.212,1168 3.115,1169 7.414,1170 3.128,1171 3.196,1172 3.272,1173 3.062,1174 3.051,1175 5.077,1176 3.039,1177 3.016,1178 3.095,1179 2.9,1180 2.855,1181 4.873,1182 2.853,1183 0.125,1184 0.125,1185 0.207,1186 0.12,1187 0.095,1188 4.618,1189 0.106,1190 4.642,1191 0.095,1192 7.646,1193 0.361,1194 4.436,1195 0.088,1196 3.505,1197 3.937,1198 3.523,1199 13.367,1200 3.259,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.021,1211 1.161,1212 2.031,1213 1.709,1214 1.671,1215 1.822,1216 1.899,1217 0.951,1218 1.885,1219 1.634,1220 1.608,1221 1.745,1222 1.854,1223 0.875,1224 1.816,1225 1.395,1226 1.358,1227 1.542,1228 1.69,1229 0.63,1230 1.644,1231 1.256,1232 1.202,1233 1.536,1234 1.503,1235 0.568,1236 1.502,1237 1.212,1238 1.141,1239 1.468,1240 1.419,1241 0.427,1242 1.462,1243 0.981,1244 0.925,1245 1.196,1246 1.233,1247 0.24,1248 1.225,1249 4.317,1251 5.659,1253 7.192,1255 8.809,1257 10.47,1259 1.828,1261 28.306,1263 10.383,1265 -0.996,1266 2.207,1270 -1.792,1271 0.982,1272 -4.505,1273 38.001,1274 104.072,1275 226.405,1276 277.724,1277 308.253,1278 317.008,1279 317.008,1280 130.938,1281 7.394,1282 150.17,1283 150.17,1284 18,1285 12.73,1286 4.248,1287 3.7,1288 69.946,1289 149,1290 135,1291 0.226,1292 236.03,1293 435.5,1294 567.674,1295 15668,1296 3.4,1297 25.75,1298 0.736,1299 0.534,1300 23.957,1301 18.703,1302 16.501,1303 0.446,1304 0.283,1305 10.295,1306 15.767,1307 10.084,1308 8.343,1309 15.74,1310 10.48,1311 15.614,1312 0.295,1313 0.149,1314 14.457,1315 7.911,1316 12.77,1317 0.191,1318 0.078,1319 11.049,1320 5.205,1321 9.155,1322 0.116,1323 0.044,1324 9.014,1325 3.452,1326 7.238,1327 0.075,1328 0.023,1329 7.2,1330 2.249,1331 0.35,1332 104.792,1333 0.208,1334 31.726,1335 0.636,1336 180,1337 729.412,1338 208.045,1339 647.594,1340 833.17,1341 594,1342 210,1343 571.86,1344 238.825,1345 565.674,1346 835.96,1347 529,1348 7.9}
{0 CHEMBL26496,1 1.77,2 11.333,3 1.12,4 1.255,5 128.044,6 8.157,7 0.316,8 4.204,9 4.323,10 3.814,11 3.705,12 5.454,13 3.715,14 4.726,15 4.888,16 4.221,17 4.068,18 6.12,19 4.071,20 5.004,21 5.171,22 4.397,23 4.214,24 6.626,25 4.209,26 5.109,27 5.311,28 4.335,29 4.213,30 6.511,31 4.209,32 5.105,33 5.29,34 4.388,35 4.23,36 6.613,37 4.24,38 5.151,39 5.347,40 4.434,41 4.252,42 6.669,43 4.267,44 5.156,45 5.34,46 4.377,47 4.249,48 6.64,49 4.254,50 5.169,51 5.389,52 4.309,53 4.205,54 6.575,55 4.194,56 0.192,57 1.037,58 10.415,59 5.231,60 33.169,61 6.22,62 0.683,63 1.751,64 21.009,65 8.639,66 99.387,67 10.674,68 1.333,69 1.944,70 29.941,71 11.059,72 228.298,73 13.801,74 1.308,75 2.075,76 36.969,77 11.534,78 215.72,79 14.32,80 1.365,81 2.177,82 35.75,83 11.93,84 233.614,85 13.61,86 1.374,87 2.089,88 38.187,89 11.813,90 226.612,91 14.595,92 1.378,93 2.221,94 37.592,95 12.158,96 209.672,97 14.025,98 1.379,99 2.066,100 41.53,101 12.54,102 235.041,103 15.706,105 86,106 54,107 0.284,108 0.626,109 0.787,110 0.862,111 0.885,112 0.885,113 3.616,114 0.864,115 -3.01,116 -3.01,117 -2.9,120 41,121 1,122 1,125 1,126 1,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 4,158 1,159 1,160 1,165 14,167 2,168 2,171 2,173 1,176 16,181 1,182 5,184 3,185 5,187 1,190 10,194 2,195 7,198 1,200 2,203 2,206 3,207 12,210 3,211 1,212 5,217 1,219 1,220 10,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 13,234 1,236 6,239 1,242 2,244 3,245 10,248 1,250 7,253 3,256 3,258 8,260 1,261 1,263 2,266 6,268 1,270 2424,271 23.402,272 23.402,273 23.402,274 23.402,275 23.402,276 20.963,277 23.509,278 13.543,279 23.724,280 18.586,281 18.586,282 18.586,283 18.586,284 18.586,285 14.786,286 20.368,287 6.293,288 19.075,289 4.161,290 2.03,291 1.029,292 0.562,293 0.418,294 0.418,295 4.288,302 1,303 844,304 5.05,307 404.242,313 1.481,314 75.825,317 1,318 0.67,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.83,325 81.5,326 408,327 4.629,328 4.649,329 7.667,330 4.447,331 3.516,332 3.937,333 3.524,334 13.502,335 3.269,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.812,342 1.973,343 10.975,344 3.034,345 4.042,346 3.596,347 5.985,348 3.676,349 2.693,350 3.518,351 1.904,352 8.343,353 2.648,354 3.945,355 3.437,356 5.958,357 3.642,358 2.646,359 3.451,360 1.269,361 8.229,362 2.621,363 3.726,364 3.054,365 5.317,366 3.387,367 2.389,368 2.938,369 1.25,370 6.731,371 2.375,372 3.594,373 2.884,374 5.274,375 3.205,376 2.218,377 2.878,378 0.78,379 6.354,380 2.187,381 3.446,382 2.675,383 5.047,384 3.1,385 2.086,386 2.594,387 0.316,388 5.843,389 2.104,390 3.098,391 2.544,392 4.804,393 2.677,394 1.712,395 2.146,396 0.159,397 4.832,398 1.639,399 2.947,400 2.142,401 4.547,402 2.56,403 1.58,404 2.087,405 0.084,406 4.013,407 1.538,408 2.915,409 1.988,410 4.21,411 2.389,412 1.414,413 2.01,415 3.658,416 1.372,417 2.719,418 1.849,419 3.684,420 2.358,421 1.384,422 1.704,424 3.04,425 1.326,426 2.61,427 1.491,428 3.517,429 2.118,430 1.126,431 1.638,433 2.542,434 1.114,435 2.5,436 1.475,437 3.476,438 2,439 1,440 1.5,442 2.136,443 1,444 2.16,445 1.165,446 3.247,447 1.709,448 0.695,449 0.89,451 1.748,452 0.683,453 1.916,454 1.095,455 3.196,456 1.385,457 0.369,458 0.492,460 0.926,461 0.368,462 16.405,463 0.456,464 1.133,465 0.031,466 44,467 1.222,468 21,469 0.583,470 23,471 0.639,472 33.285,473 0.925,474 39.995,475 0.656,476 45.669,477 1.269,478 9.445,479 0.262,480 7.594,481 0.211,482 0.201,483 0.03,484 0.329,486 2,490 0.638,491 1.137,492 0.708,493 1.072,494 0.6,495 0.938,496 0.609,497 1.05,498 0.722,499 1.036,500 0.609,501 0.939,502 0.647,503 0.987,504 0.861,505 1.113,506 0.733,507 1.08,508 1.141,509 0.993,510 1.019,511 0.935,512 1.164,513 0.935,514 1.318,515 1.213,516 1.121,517 1.057,518 1.298,519 1.025,520 1.092,521 0.966,522 0.923,523 0.902,524 1.061,525 0.861,526 1.378,527 1.151,528 1.204,529 1.107,530 1.396,531 1.097,532 1.189,533 0.976,534 0.986,535 0.884,536 1.218,537 0.873,538 9,539 0.38,540 5.333,541 3.188,542 2.378,543 1.681,544 1.2,545 0.878,546 0.678,547 0.564,548 16740,549 56720,550 1.941,551 41,552 3,553 15,554 1,556 4,558 2,560 1.782,561 1.763,562 3.468,563 1.55,569 107.973,570 1.77,571 3.901,572 4.901,573 5.369,574 5.513,575 5.513,576 2.769,577 4.517,578 5.146,579 3.652,580 2300.88,581 9.089,582 36539.8,587 361.775,588 1.693,589 5.06,590 0.237,591 0.007,592 0.099,593 0.053,594 0.042,595 0.028,596 0.019,597 0.015,598 0.012,599 0.011,600 0.523,601 0.17,602 0.88,603 1.218,604 194.091,605 -0.07,606 -0.079,607 0.005,608 0.001,609 -0.083,610 0.027,611 0.161,612 0.029,613 0.116,614 -0.006,615 0.094,616 0.028,617 0.318,618 0.034,619 0.049,620 -0.114,621 0.24,622 -0.131,623 -0.07,624 -0.005,625 -0.029,626 0.024,627 -0.082,628 0.013,629 -0.091,630 -0.015,631 -0.13,632 -0.067,633 -0.077,634 -0.096,635 -0.031,636 -0.046,637 0.061,638 0.042,639 0.034,640 0.077,641 -0.167,642 -0.047,643 -0.213,644 -0.132,645 -0.157,646 -0.172,647 -0.103,648 -0.058,649 0.047,650 0.068,651 -0.091,652 0.098,653 5.635,654 6.487,655 0.5,656 33.963,657 1.026,658 1.141,659 1.781,660 3.173,661 0.657,662 3.664,663 4.007,664 4.248,665 4.419,666 4.605,667 4.644,668 4.691,669 4.787,670 4.82,671 4.844,672 7.187,673 0.648,674 497.55,675 3.664,676 5.22,677 6.066,678 6.946,679 7.812,680 8.698,681 9.571,682 10.46,683 11.336,684 12.227,685 8.2,686 1,692 3,694 1,699 9,704 3,706 12,720 61,723 18,724 2,725 38,727 63,728 25,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 19,750 6,754 6,759 4,761 1,762 1,763 6,766 2,768 25,769 11,770 4,771 11,775 5,776 1,780 1,781 4,789 3,798 1,800 2,801 1,805 1,807 1,813 3,817 2,819 2,821 36,822 1,828 2,829 2,833 1,834 1,835 1,839 2,840 6.6,843 4,847 20.417,848 11.352,849 7.972,850 3.346,851 2.445,852 1.329,853 0.956,854 8.464,855 9.879,856 3.932,857 4.466,858 4.934,859 5.324,860 5.794,861 5.874,862 6.158,863 6.418,864 6.654,865 6.768,866 1,867 60,868 14.027,870 6.784,871 8.35,872 24.118,874 19.304,877 2.85,878 102.583,882 247.193,883 151.908,884 88.829,886 100.58,887 29.92,889 151.908,890 347.773,891 118.749,892 17.222,893 85.731,894 85.286,895 124.912,896 58.087,897 11.771,898 235.422,900 247.193,901 240.737,902 130.5,905 223.651,906 154.042,908 1.824,909 102.294,910 133.862,911 2.757,913 277.113,914 189.408,915 151.908,918 249.017,919 38.529,920 114.68,921 36.022,922 180.183,923 247.193,924 219.328,925 151.908,927 0.59,928 0.35,929 0.172,930 0.091,931 23,932 13,933 0.143,934 9,936 1,937 4.305,938 341.557,940 18,941 178.117,945 26.87,946 11.34,947 6.297,949 219.328,950 15.172,955 1.884,957 68.919,958 618.43,959 50,964 50.056,966 1.167,967 4.177,968 -5.288,969 62.563,970 69.576,971 0.298,972 0.658,973 0.826,974 0.905,975 0.929,976 0.929,977 5.193,978 1.712,979 6.098,980 5.843,981 4.691,982 5.153,983 3.68,984 6.961,985 4.637,986 6.414,987 1.58,988 7.711,989 4.832,990 4.511,991 5.007,992 3.758,993 8.184,994 4.381,995 7.737,996 1.414,997 9.441,998 4.013,999 6.378,1000 7.24,1001 5.394,1002 11.265,1003 6.24,1004 9.093,1005 1.384,1006 11.242,1007 3.658,1008 7.004,1009 7.828,1010 6.325,1011 13.343,1012 6.769,1013 10.48,1014 1.126,1015 13.094,1016 3.04,1017 8.417,1018 9.596,1019 7.653,1020 16.051,1021 8.155,1022 11.89,1023 1,1024 14.982,1025 2.542,1026 9.388,1027 10.517,1028 8.832,1029 18.449,1030 9.026,1031 13.318,1032 0.695,1033 16.898,1034 2.136,1035 10.658,1036 12.091,1037 10.102,1038 21.062,1039 10.248,1040 3.516,1041 0.369,1042 18.837,1043 1.748,1044 11.777,1045 13.186,1046 11.342,1047 23.578,1048 11.273,1049 3.173,1050 13.502,1051 20.793,1052 0.926,1053 13.007,1054 14.662,1055 12.603,1056 26.17,1057 12.44,1058 2.693,1059 10.975,1060 22.763,1061 3.937,1062 14.19,1063 15.855,1064 13.858,1065 28.732,1066 13.534,1067 2.646,1068 8.343,1069 24.746,1070 3.812,1071 15.415,1072 17.277,1073 15.117,1074 31.322,1075 14.687,1076 2.389,1077 8.229,1078 26.737,1079 3.518,1080 16.627,1081 18.529,1082 16.376,1083 33.904,1084 15.816,1085 2.218,1086 6.731,1087 28.736,1088 3.451,1089 17.855,1090 19.92,1091 17.635,1092 36.496,1093 16.968,1094 2.086,1095 6.354,1096 30.741,1097 2.938,1098 19.082,1099 21.21,1100 18.895,1101 39.087,1102 18.114,1103 16645,1104 30843,1105 23.868,1106 40.097,1107 58.224,1108 60.142,1109 60.092,1110 56.564,1111 56.415,1112 71.666,1113 22.519,1114 166.421,1115 54.954,1116 5.598,1117 6.649,1118 7.469,1119 5.517,1120 5.516,1121 6.937,1122 5.246,1123 21.632,1124 5.269,1125 23.774,1126 1.532,1127 1.583,1128 1.581,1129 1.489,1130 1.485,1131 1.886,1132 0.593,1133 4.38,1134 1.446,1135 4.005,1136 4.04,1137 3.958,1138 3.912,1139 8.363,1140 3.914,1141 3.932,1142 3.963,1143 3.872,1144 3.863,1145 7.999,1146 3.858,1147 3.789,1148 3.822,1149 3.746,1150 3.618,1151 7.436,1152 3.646,1153 3.752,1154 3.784,1155 3.709,1156 3.556,1157 7.426,1158 3.592,1159 3.555,1160 3.61,1161 3.487,1162 3.303,1163 7.423,1164 3.341,1165 3.362,1166 3.421,1167 3.253,1168 3.149,1169 7.412,1170 3.161,1171 3.2,1172 3.278,1173 3.066,1174 3.053,1175 5.077,1176 3.04,1177 3.161,1178 3.239,1179 3.008,1180 2.927,1181 4.787,1182 2.931,1183 0.122,1184 0.122,1185 0.202,1186 0.117,1187 0.093,1188 4.629,1189 0.104,1190 4.649,1191 0.093,1192 7.667,1193 0.355,1194 4.447,1195 0.086,1196 3.516,1197 3.937,1198 3.524,1199 13.502,1200 3.269,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.161,1212 2.031,1213 1.709,1214 1.672,1215 1.823,1216 1.902,1217 0.952,1218 1.886,1219 1.642,1220 1.615,1221 1.759,1222 1.867,1223 0.878,1224 1.832,1225 1.446,1226 1.391,1227 1.684,1228 1.729,1229 0.702,1230 1.712,1231 1.302,1232 1.244,1233 1.537,1234 1.555,1235 0.63,1236 1.546,1237 1.213,1238 1.142,1239 1.525,1240 1.422,1241 0.568,1242 1.463,1243 1.108,1244 1.039,1245 1.32,1246 1.38,1247 0.401,1248 1.373,1249 4.344,1251 5.68,1253 7.212,1255 8.829,1257 10.491,1259 2.808,1261 28.974,1263 5.705,1265 -0.947,1266 4.011,1270 -1.751,1271 1,1272 -4.385,1273 39.528,1274 107.973,1275 237.973,1276 298.981,1277 327.51,1278 336.265,1279 336.265,1280 139.79,1281 7.434,1282 136.18,1283 136.18,1284 18,1285 12.758,1286 4.248,1287 3.7,1288 73.138,1289 156,1290 138,1291 0.226,1292 245.623,1293 452.8,1294 591.08,1295 16436,1296 3.3,1297 26.457,1298 0.735,1299 0.545,1300 24.665,1301 19.626,1302 17.039,1303 0.448,1304 0.288,1305 10.741,1306 16.265,1307 10.48,1308 8.705,1309 16.278,1310 10.942,1311 15.769,1312 0.292,1313 0.15,1314 14.576,1315 8.126,1316 13.164,1317 0.191,1318 0.078,1319 11.677,1320 5.408,1321 9.604,1322 0.117,1323 0.044,1324 9.072,1325 3.599,1326 7.384,1327 0.075,1328 0.023,1329 7.406,1330 2.304,1331 0.35,1332 108.289,1333 0.205,1334 32.461,1335 0.635,1336 184,1337 738.433,1338 212.406,1339 654.512,1340 844.89,1341 602,1342 215,1343 580.423,1344 244.657,1345 574.284,1346 849.8,1347 537,1348 6.458}
{0 CHEMBL274455,1 1.549,2 6.143,3 2.818,4 7.941,5 55.483,6 9.84,7 0.4,8 3.171,9 3.228,10 2.972,11 2.849,12 4.432,13 2.838,14 3.608,15 3.677,16 3.362,17 3.166,18 4.994,19 3.145,20 3.787,21 3.928,22 3.307,23 3.227,24 5.013,25 3.169,26 3.688,27 3.825,28 3.191,29 3.005,30 5.122,31 2.962,32 3.518,33 3.674,34 2.821,35 2.753,36 4.827,37 2.712,38 3.266,39 3.443,40 2.625,41 2.492,42 4.512,43 2.399,44 2.763,45 2.955,46 2.195,47 2.044,48 3.909,49 1.855,50 1.868,51 2.028,52 1.513,53 1.31,54 3.001,55 1.098,56 0.049,57 0.215,58 1.953,59 1.656,60 3.839,61 1.782,62 0.229,63 0.337,64 4.338,65 2.717,66 14.64,67 2.884,68 0.167,69 0.429,70 8.399,71 3.797,72 16.646,73 4.363,74 0.248,75 0.382,76 8.681,77 3.459,78 26.917,79 3.647,80 0.214,81 0.335,82 6.461,83 2.903,84 24.351,85 2.845,86 0.174,87 0.257,88 5.92,89 2.397,90 18.509,91 2.457,92 0.131,93 0.137,94 6.846,95 1.668,96 14.68,97 1.777,98 0.055,99 0.041,100 4.194,101 0.712,102 5.657,103 0.778,105 5,106 20,107 0.322,108 0.584,109 0.712,110 0.807,111 0.834,112 0.834,113 2.734,114 0.9,115 -4.16,116 -4.11,117 -3.88,120 52.4,135 2,136 1,139 1,140 5,141 1,153 1,165 9,167 1,168 4,176 11,182 4,190 9,195 6,203 6,207 4,215 4,220 2,227 3,239 2,253 1,270 176,271 9.414,272 9.414,273 9.414,274 9.414,275 9.414,276 8.065,277 4.55,278 5.703,279 9.684,280 7.405,281 7.405,282 7.405,283 7.405,284 7.405,285 5.458,286 3.657,287 2.715,288 7.88,289 2.843,290 1.584,291 0.97,292 0.512,293 0.381,294 0.381,295 3.378,299 1,301 1,302 1,303 179,304 1.414,307 82.831,313 0.898,314 14.177,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 30.333,326 86,327 4.371,328 3.736,329 6.458,330 3.996,331 3.011,332 3.885,333 1.819,334 9.972,335 2.97,336 3.773,337 2.988,338 5.261,339 3.274,340 2.371,341 3.173,342 0.915,343 6.566,344 2.169,345 3.409,346 2.594,347 4.761,348 2.84,349 1.923,350 2.644,352 5.075,353 1.644,354 2.989,355 1.734,356 4.028,357 2.488,358 1.493,359 2.082,361 3.511,362 1.472,363 2.603,364 1.184,365 3.499,366 2.078,367 1.11,368 1.54,370 2.628,371 1.048,372 2.5,373 1,374 3.247,375 2,376 1,377 1.5,379 2.136,380 1,381 1.354,382 0.936,383 2.615,384 0.967,390 0.831,391 0.449,392 2.359,393 0.369,394 -0.514,395 -0.624,397 -1.242,398 -0.377,399 0.585,400 -0.469,401 1.905,402 0.135,403 -0.795,404 -1.166,406 -1.776,407 -0.74,408 0.5,409 -0.805,410 1.555,412 -1,413 -1.5,415 -2.347,416 -1,417 0.273,418 -1,419 1.372,420 -0.287,421 -1.217,422 -1.593,424 -3.257,425 -1.044,426 -0.257,427 -1.009,428 1.028,429 -0.673,430 -1.512,431 -2,433 -4.043,434 -1.389,435 -0.5,436 -1.768,437 1,438 -0.901,439 -1.868,440 -2.183,442 -4.789,443 -1.847,444 -0.565,445 -1.888,446 0.713,447 -1,448 -2,449 -2.756,450 -0.915,451 -5.723,452 -1.905,453 -0.866,454 -2,455 0.198,456 -1.086,457 -2,458 -3,459 -1.819,460 -6.711,461 -2,462 6.881,463 0.491,464 0.315,465 0.023,466 19,467 1.357,468 10.5,469 0.75,470 8.5,471 0.607,472 7.505,473 0.536,474 14.119,475 0.672,476 11.33,477 0.809,478 4.065,479 0.29,480 2.706,481 0.193,482 0.152,484 0.291,490 0.638,491 0.954,492 0.494,493 0.804,494 0.564,495 0.749,496 0.44,497 1.03,498 0.591,499 0.992,500 0.479,501 0.957,502 0.792,503 1.049,504 0.811,505 0.982,506 0.768,507 0.969,508 0.971,509 1.113,510 0.906,511 1.139,512 1.085,513 1.077,514 1.394,515 0.998,516 0.744,517 0.862,518 1.571,519 0.961,520 1.38,521 1,522 0.977,523 0.848,524 1.365,525 0.997,526 1.596,527 0.738,528 2.367,529 1.088,530 1.341,531 1.153,532 1.916,533 0.666,534 4.578,535 1.861,536 1.239,537 1.563,538 2.5,540 1.556,541 1,542 0.524,543 0.278,544 0.2,545 0.047,546 0.02,548 1263,549 4781,550 2.034,551 33.3,553 7,560 1.51,561 1.909,562 2.667,563 -0.766,567 1,569 32.533,570 1.549,571 2.808,572 3.423,573 3.88,574 4.011,575 4.011,576 2.156,577 3.182,578 3.782,579 2.697,580 245.393,581 6.308,582 1879.74,584 1,587 92.239,588 1.379,589 3.74,590 0.167,592 0.078,593 0.053,594 0.035,595 0.025,596 0.029,597 0.016,598 0.02,600 0.422,601 1,602 1,603 0.673,604 52.267,605 -0.024,606 -0.048,607 0.01,608 -0.034,609 -0.076,610 -0.002,611 0.362,612 -0.111,613 0.041,614 -0.177,615 0.159,616 -0.169,617 -0.034,618 -0.103,619 0.014,620 -0.059,621 -0.003,622 -0.008,623 0.043,624 -0.155,625 0.003,626 -0.19,627 0.11,628 -0.119,629 -0.246,630 0.004,631 -0.017,632 0.095,633 -0.239,634 0.012,635 -0.235,636 -0.005,637 0.049,638 0.19,639 -0.179,640 0.063,641 -0.368,642 0.209,643 -0.325,644 0.153,645 -0.27,646 0.061,647 -0.523,648 0.167,649 -1.067,650 -0.398,651 -0.311,652 -0.25,653 2.08,654 4.389,655 0.857,656 6.653,657 1.024,658 1.096,659 2.934,660 8.609,661 0.753,662 2.773,663 3.045,664 3.258,665 3.466,666 3.611,667 3.466,668 3.332,669 3.219,670 2.944,671 2.708,672 3.697,673 0.732,674 206.63,675 2.773,676 4.263,677 5.081,678 5.932,679 6.77,680 7.627,681 8.47,682 9.33,683 10.175,684 11.035,699 5,704 1,706 6,720 21,723 9,724 1,725 15,727 22,728 11,729 6,730 1,731 5,732 5,733 1,735 2,736 2,737 1,749 11,753 1,754 3,759 1,761 2,763 3,765 1,768 7,769 2,771 3,772 1,780 1,781 2,789 2,803 1,805 2,806 1,813 2,818 1,821 14,830 1,839 1,840 9.5,843 1,845 1,847 7.333,848 3.81,849 3.139,850 1.175,851 1.955,852 1.351,853 0.972,854 2.482,855 7.531,856 3.091,857 3.624,858 4.123,859 4.631,860 5.096,861 5.146,862 5.33,863 5.533,864 5.579,865 5.645,866 1,867 19,868 5.12,869 0.002,870 2.136,871 8.02,872 9.454,873 0.001,874 7.394,875 -0.001,877 2.52,878 35.278,879 0.003,882 82.398,883 85.455,885 39.149,886 36.145,889 85.455,890 157.691,894 66.334,895 32.336,896 22.929,897 39.149,898 82.398,900 82.398,901 85.455,902 36.145,903 39.149,905 82.398,906 36.145,910 66.502,911 18.952,912 39.149,913 82.398,914 36.145,915 124.603,918 82.398,919 19.121,920 66.334,922 75.293,923 82.398,924 36.145,925 124.603,927 0.571,928 0.328,929 0.179,930 0.095,931 10,932 4,933 0.045,934 1,936 1,937 2.634,938 86.441,940 12,941 49.303,945 9.189,946 3.782,947 1.946,949 36.145,950 9.314,955 0.831,958 243.146,959 21,964 11.389,966 3.217,968 0.216,969 21.513,970 23.024,971 0.353,972 0.639,973 0.779,974 0.883,975 0.913,976 0.913,977 4.284,978 -0.514,979 5.043,981 3.714,982 4.304,983 2.229,984 5.802,985 3.617,986 5.482,987 -0.795,988 6.569,989 -1.242,990 3.219,991 3.922,993 6.629,994 3.029,995 6.772,996 -1,997 8.202,998 -1.776,999 5.242,1000 6.396,1001 3.19,1002 9.722,1003 5.088,1004 8.096,1005 -1.217,1006 9.898,1007 -2.347,1008 5.565,1009 6.789,1011 11.42,1012 5.37,1013 9.45,1014 -1.512,1015 11.637,1016 -3.257,1017 7.069,1018 8.744,1019 4.312,1020 14.02,1021 6.892,1022 10.826,1023 -1.868,1024 13.406,1025 -4.043,1026 7.793,1027 9.539,1029 16.07,1030 7.605,1031 12.219,1032 -2,1033 15.198,1034 -4.789,1035 9.067,1036 11.234,1037 5.487,1038 18.492,1039 8.881,1040 3.011,1041 -2,1042 17.005,1043 -5.723,1044 9.987,1045 12.257,1047 20.687,1048 9.8,1049 2.371,1050 9.972,1051 18.826,1052 -6.711,1053 11.159,1054 13.808,1055 6.677,1056 23.038,1057 10.968,1058 1.923,1059 6.566,1060 20.655,1061 3.885,1062 12.175,1063 14.966,1065 25.293,1066 11.98,1067 1.493,1068 5.075,1069 22.493,1070 3.173,1071 13.304,1072 16.434,1073 7.872,1074 27.615,1075 13.101,1076 1.11,1077 3.511,1078 24.336,1079 2.644,1080 14.364,1081 17.673,1083 29.895,1084 14.156,1085 1,1086 2.628,1087 26.184,1088 2.082,1089 15.475,1090 19.093,1091 9.068,1092 32.205,1093 15.258,1095 2.136,1096 28.035,1097 1.54,1098 16.557,1099 20.379,1101 34.496,1102 16.331,1103 1310,1104 2645,1105 9.94,1106 15.813,1107 22.49,1108 23.181,1109 22.508,1110 22.033,1111 21.815,1112 29.646,1113 5.467,1114 59.777,1115 20.604,1116 5.237,1117 5.736,1118 6.26,1119 5.083,1120 5.011,1121 6.885,1122 3.638,1123 16.684,1124 4.97,1125 5.723,1126 1.499,1127 1.545,1128 1.501,1129 1.469,1130 1.454,1131 1.976,1132 0.364,1133 3.985,1134 1.374,1135 3.965,1136 3.981,1137 3.984,1138 3.903,1139 7.433,1140 3.901,1141 3.688,1142 3.698,1143 3.771,1144 3.578,1145 4.966,1146 3.582,1147 3.054,1148 3.059,1149 3.341,1150 2.962,1151 4.743,1152 2.955,1153 2.861,1154 2.925,1155 2.813,1156 2.735,1157 4.153,1158 2.715,1159 2.854,1160 2.854,1161 2.687,1162 2.572,1163 3.837,1164 2.63,1165 2.546,1166 2.598,1167 2.598,1168 2.394,1169 3.674,1170 2.385,1171 1.706,1172 1.802,1173 2.094,1174 1.454,1175 3.509,1176 1.386,1177 1.602,1178 1.786,1179 1.418,1180 1.217,1181 2.935,1182 1.144,1183 0.291,1184 0.249,1185 0.431,1186 0.266,1187 0.201,1188 4.371,1189 0.259,1190 3.736,1191 0.121,1192 6.458,1193 0.665,1194 3.996,1195 0.198,1196 3.011,1197 3.885,1198 1.819,1199 9.972,1200 2.97,1201 1.94,1202 1.921,1203 2.042,1204 2.019,1205 1.128,1206 2.026,1207 1.635,1208 1.621,1209 1.734,1210 1.775,1211 0.785,1212 1.765,1213 0.996,1214 0.98,1215 1.181,1216 1.131,1217 0.246,1218 1.132,1219 0.886,1220 0.821,1221 1.133,1222 1.062,1223 0.218,1224 1.107,1225 0.687,1226 0.691,1227 0.851,1228 1.011,1230 0.956,1231 0.505,1232 0.464,1233 0.719,1234 0.728,1236 0.761,1239 0.381,1240 0.133,1242 0.23,1245 0.294,1246 0.039,1248 0.138,1249 3.434,1251 4.71,1253 6.201,1255 7.786,1257 9.417,1260 5.538,1267 4.773,1273 15.364,1274 32.533,1275 58.978,1276 71.874,1277 81.484,1278 84.239,1279 84.239,1280 17.177,1281 5.576,1282 30.21,1283 30.21,1284 12,1285 11.589,1286 3.322,1287 2.807,1288 21.267,1289 30,1290 28,1291 0.364,1292 100.26,1293 180.19,1294 236.395,1295 1393,1296 4.8,1297 9.966,1298 0.712,1299 0.571,1300 10.466,1301 7.992,1302 6.771,1303 0.451,1304 0.3,1305 4.111,1306 6.302,1307 3.999,1308 3.32,1309 7.06,1310 4.501,1311 5.957,1312 0.298,1313 0.159,1314 6.366,1315 3.179,1316 4.753,1317 0.19,1318 0.083,1319 5.015,1320 2.079,1321 3.951,1322 0.127,1323 0.044,1324 4.221,1325 1.359,1326 2.937,1327 0.082,1328 0.024,1329 3.121,1330 0.874,1331 0.535,1332 45.194,1333 0.317,1334 14.029,1335 1.099,1336 70,1337 249.674,1338 93.348,1339 268.12,1340 349.33,1341 248,1342 80,1343 228.772,1344 95.406,1345 239.91,1346 350.34,1347 225,1348 6.569}
{0 CHEMBL275228,1 1.759,2 13.732,3 1.067,4 1.138,5 145.459,6 8.367,7 0.409,8 4.307,9 4.422,10 3.946,11 3.835,12 5.563,13 3.847,14 4.817,15 4.965,16 4.334,17 4.197,18 6.208,19 4.199,20 5.112,21 5.287,22 4.482,23 4.327,24 6.678,25 4.314,26 5.186,27 5.389,28 4.416,29 4.299,30 6.558,31 4.292,32 5.191,33 5.381,34 4.506,35 4.317,36 6.695,37 4.336,38 5.231,39 5.412,40 4.586,41 4.332,42 6.811,43 4.37,44 5.254,45 5.436,46 4.548,47 4.3,48 6.829,49 4.349,50 5.204,51 5.394,52 4.467,53 4.294,54 6.7,55 4.315,56 0.198,57 1.141,58 10.649,59 5.643,60 33.75,61 6.482,62 0.679,63 1.932,64 20.762,65 9.292,66 94.54,67 11.002,68 1.393,69 2.179,70 32.534,71 12.331,72 237.473,73 15.201,74 1.329,75 2.282,76 38.798,77 12.666,78 217.019,79 15.295,80 1.428,81 2.423,82 38.304,83 13.173,84 234.578,85 14.676,86 1.403,87 2.433,88 39.713,89 13.537,90 232.103,91 15.313,92 1.703,93 2.675,94 41.903,95 13.058,96 258.831,97 13.157,98 1.521,99 2.427,100 40.008,101 13.076,102 250.641,103 14.062,105 50,106 61,107 0.274,108 0.599,109 0.736,110 0.817,111 0.849,112 0.863,113 3.742,114 0.852,115 -2.86,116 -2.87,117 -2.78,120 43.3,122 1,126 2,128 1,131 1,137 1,138 1,140 12,141 3,143 2,151 1,153 4,158 1,159 1,160 1,165 15,167 2,168 4,171 2,173 2,176 15,181 1,182 6,184 3,185 5,187 3,190 8,194 2,195 4,198 1,200 4,203 1,206 5,207 10,210 3,211 1,212 6,217 1,219 1,220 11,222 1,223 1,224 1,225 6,226 1,229 2,230 2,231 12,234 1,236 3,239 2,244 4,245 10,247 1,248 3,250 5,253 6,256 1,258 10,260 1,261 1,263 4,266 10,268 1,270 3938,271 27.222,272 27.222,273 27.222,274 27.222,275 27.222,276 24.057,277 24.472,278 16.186,279 27.591,280 21.658,281 21.658,282 21.658,283 21.658,284 21.658,285 16.909,286 25.393,287 7.689,288 22.259,289 4.308,290 2.228,291 1.351,292 0.829,293 0.627,294 0.537,295 4.429,302 1,303 1196,304 5.148,307 644.654,313 2.08,314 83.014,317 0.75,318 0.5,319 0.67,320 0.5,322 0.5,324 0.42,325 92,326 563,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.894,333 3.524,334 13.509,335 3.271,336 4.448,337 3.823,338 6.747,339 4.123,340 3.168,341 3.814,342 1.973,343 10.959,344 3.024,345 3.97,346 3.597,347 5.987,348 3.675,349 2.693,350 3.455,351 1.905,352 8.341,353 2.635,354 3.948,355 3.441,356 5.937,357 3.568,358 2.575,359 3.439,360 1.274,361 8.122,362 2.554,363 3.894,364 3.033,365 5.36,366 3.511,367 2.518,368 3.411,369 1.251,370 6.988,371 2.5,372 3.723,373 2.908,374 5.304,375 3.384,376 2.387,377 2.921,378 0.78,379 6.722,380 2.372,381 3.468,382 2.717,383 5.22,384 3.134,385 2.127,386 2.644,387 0.532,388 6.152,389 2.135,390 3.317,391 2.661,392 4.917,393 2.825,394 1.862,395 2.549,396 0.315,397 5.14,398 1.778,399 3.087,400 2.146,401 4.585,402 2.634,403 1.674,404 2.143,405 0.155,406 4.291,407 1.598,408 2.974,409 2.142,410 4.333,411 2.552,412 1.591,413 2.104,415 4.003,416 1.518,417 2.903,418 1.984,419 3.76,420 2.465,421 1.459,422 2.059,424 3.121,425 1.466,426 2.712,427 1.646,428 3.603,429 2.328,430 1.349,431 1.719,433 3.014,434 1.301,435 2.674,436 1.578,437 3.569,438 2.136,439 1.193,440 1.681,442 2.759,443 1.119,444 2.5,445 1.491,446 3.498,447 2,448 1,449 1.5,451 2.136,452 1,453 2.5,454 1.268,455 3.247,456 2,457 1,458 1.5,460 2.136,461 1,462 18.805,463 0.459,464 1.095,465 0.027,466 53.5,467 1.305,468 27,469 0.659,470 26.5,471 0.646,472 36.345,473 0.886,474 44.195,475 0.66,476 54.885,477 1.339,478 11.384,479 0.278,480 8.278,481 0.202,482 0.123,483 0.027,484 0.287,486 2,490 0.64,491 1.111,492 0.685,493 1.018,494 0.592,495 0.891,496 0.636,497 1.098,498 0.803,499 1.101,500 0.627,501 1.023,502 0.656,503 0.976,504 0.888,505 1.095,506 0.729,507 1.08,508 1.155,509 1.014,510 1.044,511 0.969,512 1.184,513 0.968,514 1.332,515 1.137,516 1.055,517 0.986,518 1.336,519 0.94,520 1.284,521 1.201,522 0.901,523 1.019,524 1.304,525 0.889,526 1.853,527 1.32,528 1.255,529 0.98,530 1.865,531 0.936,532 1.558,533 1.127,534 1.156,535 0.906,536 1.602,537 0.906,538 8.5,539 0.413,540 5.333,541 3.063,542 2.498,543 1.937,544 1.384,545 0.96,546 0.748,547 0.624,548 26340,549 84943,550 2.015,551 38.8,553 17,554 1,555 2,556 4,558 2,560 1.813,561 1.871,562 3.69,563 1.459,569 117.825,570 1.759,571 3.838,572 4.715,573 5.238,574 5.439,575 5.529,576 3.184,577 4.949,578 5.328,579 3.899,580 3197.46,581 9.456,582 56227.8,587 406.428,588 1.557,589 5.274,590 0.193,591 0.006,592 0.087,593 0.046,594 0.04,595 0.028,596 0.019,597 0.014,598 0.012,599 0.01,600 0.456,601 0.17,602 0.63,603 0.566,604 231.635,605 -0.069,606 -0.079,607 0.01,608 0.004,609 -0.077,610 0.03,611 0.136,612 -0.022,613 0.006,614 -0.101,615 0.073,616 -0.093,617 0.305,618 0.014,619 0.04,620 -0.115,621 0.235,622 -0.129,623 -0.067,624 -0.033,625 -0.035,626 -0.012,627 -0.086,628 -0.013,629 -0.057,630 0.026,631 -0.036,632 -0.01,633 -0.054,634 -0.01,635 -0.03,636 -0.19,637 0.12,638 -0.048,639 0.032,640 0.05,641 -0.262,642 -0.03,643 -0.179,644 -0.016,645 -0.223,646 -0.053,647 -0.188,648 0.012,649 -0.109,650 0.061,651 -0.179,652 0.015,653 5.709,654 7.146,655 0.585,656 48.443,657 1.025,658 1.135,659 1.631,660 2.661,661 0.673,662 3.807,663 4.127,664 4.369,665 4.543,666 4.745,667 4.754,668 4.812,669 4.89,670 4.956,671 4.99,672 8.232,673 0.665,674 560.61,675 3.807,676 5.352,677 6.192,678 7.06,679 7.92,680 8.795,681 9.663,682 10.542,683 11.414,684 12.297,685 9,686 1,692 3,694 1,695 1,699 14,700 1,704 3,706 18,720 67,723 24,724 2,725 44,727 70,728 29,729 17,730 2,731 10,732 4,735 4,736 4,743 1,748 3,749 24,750 5,754 6,759 4,761 1,762 1,763 6,766 2,768 26,769 12,770 4,771 12,775 6,776 1,780 1,781 4,785 1,789 4,798 1,800 2,801 1,805 1,807 1,813 4,819 2,821 41,822 1,828 3,829 2,833 1,834 1,835 1,839 2,840 6,843 4,847 21.917,848 11.719,849 9.056,850 3.674,851 2.557,852 1.331,853 0.976,854 9.461,855 10.287,856 4.094,857 4.62,858 5.095,859 5.497,860 5.967,861 5.95,862 6.234,863 6.475,864 6.708,865 6.81,866 1,867 66,868 15.955,870 7.709,871 8.258,872 27.634,874 22.274,877 2.758,878 113.083,882 258.964,883 183.316,884 105.614,886 100.58,887 29.92,889 183.316,890 359.544,891 135.534,893 87.836,894 113.715,895 165.24,896 76.181,897 11.771,898 223.651,900 258.964,901 288.93,902 130.5,905 235.422,906 154.042,908 1.824,909 113.669,910 153.894,911 19.542,913 288.884,914 206.194,915 183.316,918 260.788,919 40.635,920 143.982,921 36.022,922 196.968,923 258.964,924 236.114,925 183.316,927 0.583,928 0.342,929 0.171,930 0.094,931 26,932 13,933 0.157,934 11,936 1,937 4.85,938 407.928,940 24,941 205.66,945 29.412,946 13.188,947 7.343,949 236.114,950 22.549,951 3.907,955 1.472,957 68.919,958 678.394,959 59,964 51.447,966 1.142,967 4.143,968 -5.432,969 68.665,970 76.074,971 0.29,972 0.633,973 0.777,974 0.863,975 0.897,976 0.911,977 5.335,978 1.862,979 6.196,980 6.152,981 4.812,982 5.308,983 3.694,984 7.031,985 4.755,986 6.538,987 1.674,988 7.784,989 5.14,990 4.511,991 5.007,992 3.758,993 8.199,994 4.381,995 7.842,996 1.591,997 9.493,998 4.291,999 6.46,1000 7.374,1001 5.396,1002 11.288,1003 6.321,1004 9.182,1005 1.459,1006 11.28,1007 4.003,1008 7.013,1009 7.837,1010 6.325,1011 13.351,1012 6.78,1013 10.555,1014 1.349,1015 13.121,1016 3.121,1017 8.466,1018 9.704,1019 7.653,1020 16.058,1021 8.206,1022 11.953,1023 1.193,1024 15.002,1025 3.014,1026 9.397,1027 10.525,1028 8.832,1029 18.452,1030 9.037,1031 13.371,1032 1,1033 16.913,1034 2.759,1035 10.683,1036 12.168,1037 10.102,1038 21.065,1039 10.275,1040 3.517,1041 1,1042 18.847,1043 2.136,1044 11.783,1045 13.184,1046 11.342,1047 23.581,1048 11.279,1049 3.168,1050 13.509,1051 20.801,1052 2.136,1053 13.018,1054 14.705,1055 12.603,1056 26.174,1057 12.451,1058 2.693,1059 10.959,1060 22.769,1061 3.894,1062 14.193,1063 15.838,1064 13.858,1065 28.736,1066 13.535,1067 2.575,1068 8.341,1069 24.75,1070 3.814,1071 15.42,1072 17.287,1073 15.118,1074 31.327,1075 14.689,1076 2.518,1077 8.122,1078 26.74,1079 3.455,1080 16.628,1081 18.494,1082 16.376,1083 33.909,1084 15.812,1085 2.387,1086 6.988,1087 28.738,1088 3.439,1089 17.858,1090 19.899,1091 17.635,1092 36.502,1093 16.965,1094 2.127,1095 6.722,1096 30.743,1097 3.411,1098 19.083,1099 21.154,1100 18.895,1101 39.093,1102 18.109,1103 25286,1104 45640,1105 28.72,1106 45.103,1107 67.181,1108 68.447,1109 67.381,1110 65.422,1111 65.274,1112 84.556,1113 23.419,1114 186.599,1115 63.505,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.894,1122 5.246,1123 21.66,1124 5.271,1125 22.381,1126 1.527,1127 1.556,1128 1.531,1129 1.487,1130 1.484,1131 1.922,1132 0.532,1133 4.241,1134 1.443,1135 3.998,1136 4.036,1137 3.95,1138 3.894,1139 8.363,1140 3.895,1141 3.925,1142 3.961,1143 3.874,1144 3.843,1145 7.999,1146 3.835,1147 3.904,1148 3.937,1149 3.829,1150 3.815,1151 7.436,1152 3.826,1153 3.765,1154 3.796,1155 3.729,1156 3.585,1157 7.426,1158 3.615,1159 3.718,1160 3.755,1161 3.671,1162 3.535,1163 7.423,1164 3.567,1165 3.54,1166 3.586,1167 3.48,1168 3.296,1169 7.411,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.149,1175 5.081,1176 3.162,1177 3.166,1178 3.233,1179 3.043,1180 2.988,1181 4.91,1182 2.989,1183 0.105,1184 0.106,1185 0.174,1186 0.101,1187 0.08,1188 4.631,1189 0.088,1190 4.65,1191 0.08,1192 7.668,1193 0.307,1194 4.449,1195 0.074,1196 3.517,1197 3.894,1198 3.524,1199 13.509,1200 3.271,1201 1.929,1202 1.9,1203 2.057,1204 2.05,1205 1.244,1206 2.041,1207 1.91,1208 1.88,1209 2.04,1210 2.021,1211 1.151,1212 2.017,1213 1.882,1214 1.846,1215 1.97,1216 2,1217 1.044,1218 2.011,1219 1.677,1220 1.643,1221 1.798,1222 1.876,1223 0.928,1224 1.856,1225 1.624,1226 1.592,1227 1.731,1228 1.834,1229 0.831,1230 1.802,1231 1.423,1232 1.379,1233 1.591,1234 1.695,1235 0.699,1236 1.661,1237 1.293,1238 1.238,1239 1.52,1240 1.528,1241 0.584,1242 1.526,1243 1.12,1244 1.068,1245 1.307,1246 1.356,1247 0.411,1248 1.348,1249 4.489,1251 5.808,1253 7.324,1255 8.926,1257 10.572,1261 30.291,1263 5.718,1265 -1.228,1266 4.361,1270 -1.795,1271 0.967,1272 -4.459,1273 44.549,1274 117.825,1275 257.154,1276 315.899,1277 350.918,1278 364.428,1279 370.428,1280 144.587,1281 7.73,1282 149.07,1283 149.07,1284 24,1285 12.833,1286 4.644,1287 4,1288 75.598,1289 194,1290 233,1291 0.177,1292 274.611,1293 501.82,1294 661.811,1295 24986,1296 3,1297 29.407,1298 0.717,1299 0.528,1300 27.614,1301 21.667,1302 19.663,1303 0.447,1304 0.284,1305 12.286,1306 18.827,1307 12.1,1308 9.99,1309 18.902,1310 12.499,1311 17.808,1312 0.292,1313 0.149,1314 16.615,1315 9.081,1316 14.957,1317 0.192,1318 0.079,1319 13.445,1320 6.139,1321 11.104,1322 0.119,1323 0.044,1324 10.712,1325 4.048,1326 8.884,1327 0.078,1328 0.023,1329 8.785,1330 2.644,1331 0.277,1332 124.428,1333 0.187,1334 36.46,1335 0.488,1336 210,1337 814.078,1338 240.127,1339 729.987,1340 949.77,1341 674,1342 244,1343 656.818,1344 275.489,1345 651.225,1346 960.15,1347 611,1348 6.62}
{0 CHEMBL278224,1 1.658,2 4.4,3 2.242,4 5.027,5 39.989,6 9.329,8 2.936,9 3.007,10 2.677,11 2.507,12 4.145,13 2.491,14 3.421,15 3.548,16 3.073,17 2.781,18 4.774,19 2.754,20 3.531,21 3.706,22 3.063,23 2.838,24 4.727,25 2.766,26 3.42,27 3.565,28 2.87,29 2.605,30 4.815,31 2.488,32 3.088,33 3.321,34 1.649,35 2.063,36 4.062,37 1.849,38 2.333,39 2.575,40 1.04,41 1.217,42 3.611,43 1.128,44 1.558,45 1.683,46 0.29,47 0.418,48 3.091,49 0.448,56 0.058,57 0.195,58 2.239,59 1.616,60 4.775,61 1.786,62 0.259,63 0.294,64 6.343,65 2.675,66 19.142,67 3.111,68 0.198,69 0.312,70 8.031,71 3.153,72 21.295,73 3.694,74 0.316,75 0.233,76 11.246,77 2.862,78 32.25,79 2.944,80 0.227,81 0.163,82 10.681,83 2.145,84 21.291,85 2.492,86 0.093,87 0.082,88 2.797,89 0.808,90 14.15,91 0.948,92 0.079,93 0.024,94 1.154,95 0.227,96 15.078,97 0.056,105 11,106 13,107 0.384,108 0.733,109 0.827,110 0.854,111 0.854,112 0.854,113 2.443,114 1.02,115 -3.23,116 -3.22,117 -3.09,120 41.2,121 1,122 1,135 2,136 1,139 1,153 1,165 4,167 1,168 4,176 4,182 3,190 4,195 3,203 3,207 1,220 1,270 52,271 6.508,272 6.508,273 6.508,274 6.508,275 6.508,276 5.886,277 6.9,278 3.825,279 6.74,280 4.838,281 4.838,282 4.838,283 4.838,284 4.838,285 3.8,286 4.217,287 1.71,288 5.252,289 2.43,290 0.918,291 0.515,292 0.397,293 0.397,294 0.397,295 3.015,299 1,302 1,303 84,304 1.581,307 30.19,313 0.88,314 12.136,317 1,318 0.83,319 0.83,320 0.8,321 0.5,322 1,323 1,324 0.85,325 22.333,326 44,327 4.237,328 3.679,329 6.048,330 3.763,331 2.845,332 3.655,333 1.819,334 8.64,335 2.609,336 3.533,337 3.146,338 4.954,339 3.114,340 2.118,341 2.73,342 0.915,343 5.777,344 2.081,345 2.785,346 2.122,347 4.151,348 2.315,349 1.475,350 1.725,352 3.695,353 1.154,354 2.011,355 1.039,356 2.902,357 1.652,358 0.66,359 0.796,361 1.128,362 0.64,363 1.144,364 0.86,365 2.359,366 0.761,367 -0.225,368 -0.27,370 -0.37,371 -0.184,372 0.658,373 0.167,374 2,375 0.277,376 -0.515,377 -0.611,379 -1.242,380 -0.385,381 0.183,382 -0.529,383 1.373,384 -0.128,385 -1.154,386 -1.341,388 -2.891,389 -1.062,390 -0.193,391 -0.933,392 1,393 -0.723,394 -1.492,395 -1.762,397 -4.04,398 -1.283,399 -0.564,400 -1.346,401 0.757,402 -0.748,403 -1.713,404 -2.216,405 -0.915,406 -4.49,407 -1.664,408 -0.795,409 -1.843,410 0.456,411 -1.084,412 -2,413 -2.705,414 -1.819,415 -6.207,416 -1.906,462 4.881,463 0.488,464 0.264,465 0.026,466 10.5,467 1.05,468 4.5,469 0.45,470 6,471 0.6,472 6.459,473 0.646,474 11.319,475 0.666,476 5.571,477 0.557,478 2.164,479 0.216,480 2.572,481 0.257,482 0.317,484 0.307,490 0.667,491 1.252,492 0.52,493 0.975,494 0.565,495 0.907,496 0.422,497 1.053,498 0.505,499 0.942,500 0.411,501 0.865,502 0.831,503 1.047,504 0.668,505 0.797,506 0.798,507 0.8,508 1.32,509 1.072,510 1.655,511 1.313,512 1.054,513 1.292,514 1.355,515 0.735,516 1.887,517 1.268,518 0.944,519 1.273,520 1.258,521 0.898,522 0.564,523 0.739,524 2.225,525 0.896,526 4.058,528 1.376,529 0.025,530 7.33,531 0.776,538 2.5,540 1.333,541 0.688,542 0.453,543 0.118,548 400,549 1719,550 1.835,551 41.2,552 5,553 2,560 1.394,561 1.667,562 2.259,563 -0.672,569 28.184,570 1.658,571 3.169,572 3.572,573 3.69,574 3.69,575 3.69,576 1.922,577 2.722,578 3.295,579 2.247,580 101.137,581 5.325,582 617.738,587 69.487,588 1.571,589 3.209,590 0.25,592 0.103,593 0.057,594 0.065,595 0.059,600 0.534,601 1,602 1,603 1.185,604 31.257,605 -0.034,606 -0.145,607 0.008,608 -0.095,609 -0.053,610 -0.045,611 0.396,612 -0.037,613 0.197,614 -0.047,615 0.257,616 0.045,617 -0.038,618 -0.089,619 0.181,620 0.139,621 -0.005,622 0.168,623 -0.178,624 -0.211,625 -0.297,626 -0.297,627 -0.048,628 -0.356,629 -0.334,630 0.074,631 -0.52,632 -0.251,633 -0.211,634 -0.243,635 -0.194,636 -0.031,637 0.069,638 0.093,639 -0.289,640 0.06,641 -1.523,642 0.793,643 -0.722,644 0.732,645 -2.175,646 -0.152,653 2.067,654 3.507,655 0.6,656 3.84,657 1.03,658 1.119,659 2,660 4,661 0.695,662 2.398,663 2.639,664 2.773,665 2.833,666 2.833,667 2.485,668 1.386,669 0.693,672 2.86,673 0.668,674 158.59,675 2.398,676 3.85,677 4.635,678 5.46,679 6.263,680 7.091,681 7.899,682 8.727,683 9.536,684 10.363,720 17,723 3,725 10,727 17,728 7,732 5,733 1,735 1,736 1,737 1,741 1,748 1,749 5,750 2,753 1,754 3,759 1,761 2,763 3,768 7,769 2,771 3,772 1,780 1,781 2,789 1,803 1,805 2,806 1,813 1,817 1,818 1,821 10,828 1,830 1,839 1,840 11.8,843 1,845 1,847 6,848 3.393,849 2.361,850 1.126,851 0.869,852 1.19,853 0.894,854 2.248,855 5.434,856 2.639,857 3.091,858 3.466,859 3.738,860 4.007,861 3.892,862 2.197,863 1.099,866 1,867 12,868 3.644,869 0.02,870 1.437,871 8.211,872 6.667,873 0.008,874 4.908,875 0.014,876 0.001,877 2.711,878 27.111,879 0.013,882 82.398,883 46.248,885 39.149,886 36.145,889 46.248,890 157.691,892 8.825,893 2.535,894 18.952,895 32.336,896 19.744,897 39.149,898 82.398,900 82.398,901 46.248,902 36.145,903 39.149,905 82.398,906 36.145,909 11.36,910 15.935,911 18.952,912 39.149,913 82.398,914 36.145,915 85.396,918 82.398,919 18.47,920 27.778,922 75.293,923 82.398,924 36.145,925 85.396,927 0.567,928 0.332,929 0.16,930 0.072,931 6,932 3,933 0.059,934 1,936 1,937 2.097,938 48.188,940 6,941 33.219,945 7.509,946 2.993,947 1.691,949 36.145,958 203.939,959 13,964 10.507,966 3.041,968 0.665,969 17.513,970 19.024,971 0.406,972 0.775,973 0.874,974 0.903,975 0.903,976 0.903,977 3.829,978 -1.492,979 4.615,980 -2.891,981 3.296,982 3.761,983 2.229,984 5.342,985 3.146,986 5.024,987 -1.713,988 6.142,989 -4.04,990 2.944,991 3.611,993 6.151,994 2.686,995 6.324,996 -2,997 7.767,998 -4.49,999 4.812,1000 5.814,1001 3.19,1002 9.117,1003 4.532,1004 7.659,1006 9.444,1007 -6.207,1008 5.198,1009 6.399,1011 10.668,1012 4.791,1013 9.02,1015 11.152,1017 6.6,1018 8.124,1019 4.312,1020 13.173,1021 6.164,1022 10.399,1024 12.881,1026 7.331,1027 9.049,1029 15.042,1030 6.76,1031 11.791,1033 14.626,1035 8.534,1036 10.561,1037 5.487,1038 17.364,1039 7.919,1040 2.845,1042 16.381,1044 9.429,1045 11.66,1047 19.38,1048 8.684,1049 2.118,1050 8.64,1051 18.146,1053 10.544,1054 13.067,1055 6.677,1056 21.619,1057 9.74,1058 1.475,1059 5.777,1060 19.918,1061 3.655,1062 11.517,1063 14.258,1065 23.705,1066 10.594,1067 0.66,1068 3.695,1069 21.695,1070 2.73,1071 12.594,1072 15.613,1073 7.872,1074 25.904,1075 11.6,1076 -0.225,1077 1.128,1078 23.476,1079 1.725,1080 13.604,1081 16.852,1083 28.025,1084 12.501,1085 -0.515,1086 -0.37,1087 25.261,1088 0.796,1089 14.664,1090 18.179,1091 9.068,1092 30.203,1093 13.483,1094 -1.154,1095 -1.242,1096 27.049,1097 -0.27,1098 15.692,1099 19.444,1101 32.342,1102 14.41,1103 485,1104 1079,1105 6.068,1106 11.813,1107 14.733,1108 15.329,1109 15.309,1110 14.329,1111 14.197,1112 17.811,1113 5.467,1114 38.481,1115 12.969,1116 5.032,1117 5.522,1118 5.592,1119 4.847,1120 4.845,1121 6.36,1122 3.638,1123 14.847,1124 4.515,1125 5.39,1126 1.473,1127 1.533,1128 1.531,1129 1.433,1130 1.42,1131 1.781,1132 0.547,1133 3.848,1134 1.297,1135 3.857,1136 3.868,1137 3.965,1138 3.748,1139 7.434,1140 3.752,1141 3.391,1142 3.451,1143 3.37,1144 3.211,1145 4.942,1146 3.204,1147 2.919,1148 2.938,1149 3.195,1150 2.79,1151 4.233,1152 2.768,1153 2.785,1154 2.786,1155 2.696,1156 2.47,1157 3.983,1158 2.528,1159 2.263,1160 2.391,1161 2.215,1162 1.965,1163 3.8,1164 1.912,1165 1.605,1166 1.762,1167 1.737,1168 1.263,1169 3.041,1170 1.2,1171 1.305,1172 1.207,1173 1.247,1174 0.907,1175 2.346,1176 0.879,1177 1.067,1178 1.207,1179 0.763,1180 0.536,1181 1.753,1182 0.648,1183 0.424,1184 0.368,1185 0.605,1186 0.376,1187 0.285,1188 4.237,1189 0.366,1190 3.679,1191 0.182,1192 6.048,1193 0.864,1194 3.763,1195 0.261,1196 2.845,1197 3.655,1198 1.819,1199 8.64,1200 2.609,1201 1.797,1202 1.779,1203 1.938,1204 1.932,1205 1.127,1206 1.932,1207 1.38,1208 1.318,1209 1.649,1210 1.605,1211 0.688,1212 1.624,1213 0.846,1214 0.818,1215 1.079,1216 1.038,1217 0.207,1218 1.052,1219 0.598,1220 0.601,1221 0.729,1222 0.949,1224 0.901,1225 0.272,1226 0.146,1227 0.648,1228 0.615,1230 0.66,1233 0.188,1234 0.077,1236 0.145,1249 3.045,1251 4.29,1253 5.753,1255 7.311,1257 8.912,1259 1.946,1260 5.563,1265 0.78,1267 4.609,1273 11.364,1274 28.184,1275 53.877,1276 60.732,1277 62.732,1278 62.732,1279 62.732,1280 12.197,1281 4.564,1282 30.21,1283 30.21,1284 6,1285 10.942,1286 2,1287 2,1288 16.535,1289 18,1290 14,1291 0.555,1292 78.067,1293 142.17,1294 182.243,1295 320,1296 5.9,1297 7.56,1298 0.756,1299 0.631,1300 8.06,1301 6.312,1302 4.736,1303 0.474,1304 0.34,1305 3.011,1306 4.279,1307 2.886,1308 2.426,1309 5.025,1310 3.401,1311 4.064,1312 0.313,1313 0.173,1314 4.435,1315 2.25,1316 3.134,1317 0.209,1318 0.104,1319 3.487,1320 1.564,1321 2.335,1322 0.146,1323 0.059,1324 2.737,1325 0.952,1326 1.394,1327 0.087,1328 0.025,1329 1.501,1330 0.396,1331 0.779,1332 32.988,1333 0.406,1334 9.83,1335 1.755,1336 46,1337 193.674,1338 69.348,1339 209.176,1340 263.78,1341 192,1342 51,1343 162.772,1344 68.026,1345 170.65,1346 248.89,1347 159,1348 5.252}
{0 CHEMBL278453,1 1.342,2 6.154,3 1.802,4 3.248,5 50.548,6 8.2,7 0.429,8 3.158,9 3.23,10 2.814,11 2.798,12 4.394,13 2.788,14 3.587,15 3.68,16 3.098,17 3.111,18 4.899,19 3.082,20 3.764,21 3.932,22 3.005,23 3.141,24 4.916,25 3.072,26 3.641,27 3.829,28 2.7,29 2.916,30 4.736,31 2.821,32 3.464,33 3.675,34 2.515,35 2.686,36 4.489,37 2.598,38 3.228,39 3.446,40 2.209,41 2.34,42 4.369,43 2.259,44 2.755,45 2.969,46 1.68,47 1.71,48 4.114,49 1.673,50 1.896,51 2.054,52 0.974,53 0.844,54 3.455,55 0.885,56 0.014,57 0.227,58 3.245,59 1.897,60 2.72,61 2.119,62 0.142,63 0.356,64 5.687,65 2.966,66 13.156,67 3.337,68 0.089,69 0.449,70 8.21,71 3.824,72 14.569,73 4.611,74 0.107,75 0.4,76 7.8,77 3.408,78 18.188,79 4.103,80 0.091,81 0.338,82 6.977,83 2.9,84 11.322,85 3.612,86 0.085,87 0.264,88 5.747,89 2.255,90 10.202,91 2.748,92 0.09,93 0.158,94 3.872,95 1.308,96 15.381,97 1.401,98 0.051,99 0.057,100 1.532,101 0.45,102 10.594,103 0.342,105 2,106 18,107 0.279,108 0.541,109 0.712,110 0.807,111 0.834,112 0.834,113 2.667,114 0.858,115 -3.62,116 -3.59,117 -3.42,120 52.4,135 2,136 1,137 1,140 5,141 1,153 1,165 9,167 1,168 3,176 10,182 3,190 8,195 3,203 5,207 3,215 3,220 3,227 1,231 2,245 1,270 140,271 8.914,272 8.914,273 8.914,274 8.914,275 8.914,276 7.681,277 4.343,278 5.497,279 9.011,280 6.921,281 6.921,282 6.921,283 6.921,284 6.921,285 5.06,286 3.261,287 2.635,288 7.046,289 3.05,290 1.791,291 0.97,292 0.512,293 0.381,294 0.381,295 3.312,301 1,302 1,303 168,304 1.225,307 76.36,313 0.959,314 9.887,317 1,318 0.83,319 0.83,320 0.6,322 1,323 1,324 0.75,325 28,326 80,327 4.248,328 3.58,329 6.141,330 3.854,331 2.863,332 3.781,333 1.674,334 9.046,335 2.838,336 3.726,337 2.827,338 5.047,339 3.312,340 2.329,341 3.066,343 6.109,344 2.268,345 3.284,346 1.978,347 4.399,348 2.787,349 1.784,350 2.519,352 4.39,353 1.784,354 2.675,355 1.53,356 3.492,357 2.151,358 1.151,359 1.689,361 2.677,362 1.148,363 2.545,364 1.194,365 3.414,366 2,367 1,368 1.5,370 2.275,371 1,372 2.5,373 1,374 3.247,375 1.917,376 1,377 1.337,379 2.136,380 0.907,381 1.354,382 0.708,383 2.42,384 0.86,385 -0.151,386 -0.215,388 -0.327,389 -0.149,390 0.711,391 -0.316,392 2,393 0.235,394 -0.784,395 -1.05,397 -1.727,398 -0.794,399 0.5,400 -0.783,401 1.621,403 -1,404 -1.236,406 -2.347,407 -0.936,408 0.248,409 -0.962,410 1.555,411 -0.046,412 -1,413 -1.5,415 -3,416 -1,417 0.107,418 -1,419 1.04,420 -0.322,421 -1.329,422 -1.864,424 -3.118,425 -1.338,426 -0.5,427 -1.749,428 0.84,429 -0.869,430 -1.863,431 -2.376,433 -4.789,434 -1.807,435 -0.635,436 -1.885,437 0.586,438 -1,439 -2,440 -2.65,442 -5.275,443 -1.922,444 -0.764,445 -2,446 0.198,447 -1.079,448 -2,449 -3,450 -1.674,451 -6.05,452 -2,462 6.167,463 0.474,464 0.226,465 0.017,466 18.25,467 1.404,468 10.5,469 0.808,470 7.75,471 0.596,472 5.902,473 0.454,474 13.033,475 0.621,476 10.399,477 0.8,478 3.98,479 0.306,480 2.38,481 0.183,482 0.054,484 0.243,490 0.661,491 0.956,492 0.664,493 0.936,494 0.549,495 0.829,496 0.639,497 1.01,498 0.883,499 1.017,500 0.52,501 1.004,502 0.785,503 1.045,504 0.963,505 1.051,506 0.758,507 1.046,508 0.934,509 1.082,510 1.128,511 1.098,512 0.973,513 1.142,514 0.892,515 0.985,516 0.961,517 0.988,518 0.531,519 0.989,520 1.134,521 1.035,522 1.024,523 1.027,524 0.872,525 1.007,526 2.008,527 0.82,528 1.223,529 0.797,530 2.657,531 0.836,532 3.403,533 0.768,534 1.687,535 0.72,536 5.523,537 0.821,538 2,540 1.333,541 0.438,542 0.253,543 0.25,544 0.16,545 0.047,546 0.02,548 1098,549 3470,550 2.082,551 38.1,553 7,554 1,560 1.481,561 2,562 2.696,563 -0.822,567 1,569 28.185,570 1.342,571 2.601,572 3.423,573 3.88,574 4.011,575 4.011,576 2.2,577 2.873,578 3.675,579 2.706,580 211.052,581 6.07,582 1529.7,584 1,587 92.239,588 1.14,589 3.655,590 0.143,592 0.074,593 0.027,594 0.023,595 0.028,596 0.027,597 0.016,598 0.02,600 0.358,601 1,602 1,603 0.569,604 47.319,605 -0.011,606 -0.046,607 0.041,608 -0.037,609 -0.057,610 0.003,611 0.21,612 -0.089,613 -0.101,614 -0.11,615 0.123,616 -0.158,617 -0.04,618 -0.105,619 -0.058,620 -0.103,621 -0.004,622 -0.088,623 -0.092,624 -0.133,625 -0.161,626 -0.139,627 -0.127,628 -0.16,629 -0.032,630 -0.022,631 0.068,632 -0.009,633 0.015,634 0.038,635 -0.066,636 -0.063,637 0.071,638 -0.045,639 0.067,640 0.024,641 -0.309,642 0.186,643 0.006,644 0.194,645 -0.254,646 0.171,647 -0.71,648 0.261,649 -0.351,650 0.242,651 -0.886,652 0.066,653 1.986,654 3.686,655 0.923,656 6.024,657 1.009,658 1.099,659 2.385,660 5.689,661 0.712,662 2.708,663 2.944,664 3.135,665 3.296,666 3.497,667 3.296,668 3.219,669 3.045,670 2.833,671 2.565,672 3.683,673 0.692,674 172.19,675 2.708,676 4.174,677 4.977,678 5.802,679 6.624,680 7.455,681 8.283,682 9.116,683 9.946,684 10.78,699 5,704 1,706 6,720 21,723 9,724 1,725 14,727 22,728 11,729 6,730 1,731 5,732 5,735 2,736 2,749 11,754 3,759 1,761 3,763 2,768 8,769 2,771 2,780 1,781 2,789 2,803 1,805 2,806 1,813 2,821 13,830 1,840 9.5,843 1,845 1,847 6.5,848 3.75,849 2.944,850 1.174,851 1.86,852 1.343,853 0.974,854 2.068,855 7.289,856 3.045,857 3.541,858 4.056,859 4.518,860 5.017,861 5.008,862 5.226,863 5.348,864 5.411,865 5.497,866 1,867 16,868 4.747,869 -0.003,870 1.946,871 7.923,872 8.893,873 -0.001,874 6.923,875 0.001,877 2.423,878 31.5,879 0.006,882 94.169,883 91.43,886 36.145,889 91.43,890 130.314,893 11.534,894 66.334,895 32.336,896 17.371,897 11.771,898 82.398,900 94.169,901 91.43,902 36.145,905 94.169,906 36.145,910 72.478,911 18.952,913 94.169,914 36.145,915 91.43,918 94.169,919 13.562,920 77.868,922 36.145,923 94.169,924 36.145,925 91.43,927 0.562,928 0.316,929 0.164,930 0.095,931 9,932 3,933 0.045,934 1,936 1,937 2.605,938 75.968,940 12,941 44.106,945 7.96,946 3.377,947 1.737,949 36.145,950 9.772,955 1.047,958 221.744,959 20,964 10.686,966 4.64,968 0.597,969 21.189,970 23.08,971 0.306,972 0.592,973 0.779,974 0.883,975 0.913,976 0.913,977 4.212,978 -0.784,979 4.905,980 -0.327,981 3.611,982 4.22,983 1.888,984 5.602,985 3.578,986 5.386,987 -1,988 6.389,989 -1.727,990 2.944,991 3.651,993 6.293,994 2.932,995 6.649,996 -1,997 7.975,998 -2.347,999 5.081,1000 6.279,1001 2.817,1002 9.343,1003 5.021,1004 7.948,1005 -1.329,1006 9.625,1007 -3,1008 5.252,1009 6.534,1011 10.926,1012 5.21,1013 9.278,1014 -1.863,1015 11.318,1016 -3.118,1017 6.83,1018 8.587,1019 3.808,1020 13.448,1021 6.749,1022 10.63,1023 -2,1024 13.041,1025 -4.789,1026 7.419,1027 9.275,1029 15.391,1030 7.351,1031 12,1032 -2,1033 14.785,1034 -5.275,1035 8.725,1036 11.026,1037 4.825,1038 17.72,1039 8.628,1040 2.863,1042 16.546,1043 -6.05,1044 9.533,1045 11.965,1047 19.814,1048 9.445,1049 2.329,1050 9.046,1051 18.319,1053 10.705,1054 13.545,1055 5.851,1056 22.067,1057 10.596,1058 1.784,1059 6.109,1060 20.1,1061 3.781,1062 11.629,1063 14.636,1065 24.224,1066 11.523,1067 1.151,1068 4.39,1069 21.889,1070 3.066,1071 12.735,1072 16.116,1073 6.88,1074 26.447,1075 12.614,1076 1,1077 2.677,1078 23.683,1079 2.519,1080 13.72,1081 17.298,1083 28.63,1084 13.598,1085 1,1086 2.275,1087 25.481,1088 1.689,1089 14.795,1090 18.719,1091 7.91,1092 30.841,1093 14.662,1094 -0.151,1095 2.136,1096 27.282,1097 1.5,1098 15.811,1099 19.958,1101 33.035,1102 15.674,1103 1126,1104 2075,1105 9.534,1106 14.955,1107 20.815,1108 21.512,1109 20.624,1110 20.216,1111 20.253,1112 27.783,1113 3.349,1114 53.264,1115 19.891,1116 5.012,1117 5.58,1118 5.943,1119 4.933,1120 4.863,1121 6.781,1122 3.349,1123 15.097,1124 4.838,1125 4.017,1126 1.487,1127 1.537,1128 1.473,1129 1.444,1130 1.447,1131 1.984,1132 0.239,1133 3.805,1134 1.421,1135 3.96,1136 3.98,1137 3.905,1138 3.899,1139 7.434,1140 3.896,1141 3.689,1142 3.704,1143 3.625,1144 3.562,1145 4.831,1146 3.572,1147 3.051,1148 3.07,1149 2.99,1150 2.923,1151 4.59,1152 2.93,1153 2.854,1154 2.925,1155 2.687,1156 2.735,1157 3.941,1158 2.715,1159 2.78,1160 2.802,1161 2.661,1162 2.501,1163 3.674,1164 2.529,1165 2.603,1166 2.654,1167 2.464,1168 2.409,1169 3.633,1170 2.435,1171 1.628,1172 1.802,1173 1.38,1174 1.217,1175 3.085,1176 1.2,1177 1.602,1178 1.778,1179 1.039,1180 1.216,1181 2.007,1182 1.144,1183 0.303,1184 0.256,1185 0.439,1186 0.275,1187 0.204,1188 4.248,1189 0.27,1190 3.58,1191 0.12,1192 6.141,1193 0.646,1194 3.854,1195 0.203,1196 2.863,1197 3.781,1198 1.674,1199 9.046,1200 2.838,1201 1.941,1202 1.92,1203 2.047,1204 2.021,1205 1.131,1206 2.029,1207 1.642,1208 1.623,1209 1.773,1210 1.796,1211 0.79,1212 1.785,1213 1.013,1214 0.986,1215 1.206,1216 1.172,1217 0.275,1218 1.177,1219 0.886,1220 0.821,1221 1.181,1222 1.062,1223 0.218,1224 1.107,1225 0.666,1226 0.628,1227 0.963,1228 0.984,1229 0.005,1230 0.954,1231 0.546,1232 0.522,1233 0.731,1234 0.81,1236 0.816,1239 0.381,1240 0.133,1242 0.23,1245 0.295,1246 0.104,1248 0.176,1249 3.367,1251 4.615,1253 6.08,1255 7.631,1257 9.221,1267 4.757,1273 14.537,1274 28.185,1275 54.629,1276 71.874,1277 81.484,1278 84.239,1279 84.239,1280 12.832,1281 5.429,1282 30.21,1283 30.21,1284 12,1285 11.351,1286 3.322,1287 2.807,1288 19.222,1289 28,1290 26,1291 0.354,1292 91.928,1293 164.98,1294 216.063,1295 1172,1297 9.096,1298 0.7,1299 0.533,1300 9.096,1301 6.935,1302 6.36,1303 0.454,1304 0.286,1305 3.96,1306 6.16,1307 3.88,1308 3.243,1309 6.36,1310 4.004,1311 5.418,1312 0.301,1313 0.151,1314 5.418,1315 2.709,1316 4.377,1317 0.199,1318 0.082,1319 4.377,1320 1.808,1321 3.363,1322 0.129,1323 0.044,1324 3.363,1325 1.153,1326 2.782,1327 0.087,1328 0.023,1329 2.782,1330 0.751,1331 0.526,1332 39.647,1333 0.324,1334 13.204,1335 1.038,1336 64,1337 215.471,1338 69.867,1339 205.948,1340 275.74,1341 192,1342 72,1343 197,1344 76.983,1345 199.333,1346 285.95,1347 187,1348 4.125}
{0 CHEMBL280377,1 1.796,2 11.152,3 2.363,4 5.583,5 115.872,6 8.49,7 0.343,8 4.092,9 4.205,10 3.735,11 3.608,12 5.358,13 3.624,14 4.623,15 4.774,16 4.175,17 3.971,18 6.254,19 3.979,20 4.87,21 5.038,22 4.239,23 4.116,24 6.407,25 4.097,26 4.99,27 5.203,28 4.2,29 4.106,30 6.305,31 4.09,32 4.968,33 5.153,34 4.285,35 4.103,36 6.492,37 4.119,38 5.011,39 5.207,40 4.358,41 4.095,42 6.642,43 4.127,44 4.995,45 5.178,46 4.217,47 4.041,48 6.516,49 4.068,50 4.933,51 5.148,52 4.13,53 3.944,54 6.417,55 3.961,56 0.214,57 1.001,58 8.344,59 4.79,60 42.172,61 5.305,62 0.972,63 1.885,64 17.93,65 7.953,66 163.527,67 9.244,68 1.082,69 1.698,70 24.24,71 9.965,72 195.592,73 12.165,74 1.198,75 1.86,76 32.301,77 10.411,78 186.157,79 13.053,80 1.239,81 1.973,82 29.776,83 10.649,84 220.572,85 11.93,86 1.397,87 1.984,88 32.472,89 10.68,90 238.167,91 12.651,92 1.46,93 2.094,94 31.832,95 10.467,96 223.57,97 10.432,98 1.269,99 1.842,100 32.536,101 10.206,102 234.494,103 11.673,105 67,106 50,107 0.296,108 0.637,109 0.775,110 0.85,111 0.877,112 0.877,113 3.532,114 0.851,115 -3.86,116 -3.81,117 -3.62,120 42.6,121 1,122 1,126 1,128 1,132 1,137 1,138 1,140 9,141 3,151 1,153 3,158 1,159 1,160 1,165 14,167 2,168 2,171 1,173 1,176 16,181 1,182 5,184 3,185 5,187 1,190 10,194 1,195 7,200 2,203 2,206 3,207 11,210 2,212 4,217 1,219 1,220 9,222 1,223 1,224 1,225 5,226 1,229 2,231 11,236 4,239 1,242 2,244 2,245 8,250 5,253 3,256 3,258 7,260 1,261 1,263 1,266 6,268 1,270 1911,271 21.247,272 21.247,273 21.247,274 21.247,275 21.247,276 18.925,277 20.395,278 12.374,279 21.64,280 17.234,281 17.234,282 17.234,283 17.234,284 17.234,285 13.704,286 18.348,287 5.892,288 17.926,289 3.959,290 1.889,291 1.052,292 0.597,293 0.435,294 0.435,295 4.205,301 1,302 1,303 767,304 4.637,307 362.283,313 1.429,314 68.971,317 1,318 0.83,319 1,320 0.8,321 0.5,322 1,323 1,324 0.88,325 75.5,326 368,327 4.462,328 4.609,329 7.184,330 4.242,331 3.352,332 3.937,333 3.975,334 11.862,335 3.048,336 4.444,337 3.823,338 6.75,339 4.128,340 3.172,341 3.61,342 1.967,343 10.974,344 3.017,345 4.041,346 3.568,347 5.96,348 3.652,349 2.66,350 3.517,351 1.793,352 8.258,353 2.642,354 3.915,355 3.257,356 5.727,357 3.589,358 2.625,359 3.426,360 1.252,361 7.921,362 2.514,363 3.696,364 3.053,365 5.289,366 3.369,367 2.377,368 2.919,369 0.78,370 6.681,371 2.339,372 3.582,373 2.705,374 5.196,375 3.187,376 2.206,377 2.837,378 0.318,379 6.278,380 2.159,381 3.244,382 2.544,383 4.96,384 2.968,385 2.003,386 2.318,387 0.16,388 5.696,389 1.873,390 3.071,391 2.142,392 4.687,393 2.639,394 1.668,395 2.123,397 4.713,398 1.604,399 2.915,400 1.99,401 4.21,402 2.425,403 1.428,404 2.01,406 3.66,407 1.413,408 2.862,409 1.849,410 3.816,411 2.389,412 1.414,413 1.97,415 3.086,416 1.372,417 2.61,418 1.491,419 3.543,420 2.118,421 1.126,422 1.64,424 2.543,425 1.115,426 2.5,427 1.475,428 3.478,429 2,430 1,431 1.5,433 2.136,434 1,435 2.21,436 1.165,437 3.247,438 1.756,439 0.731,440 0.954,442 1.911,443 0.725,444 1.917,445 1,446 3.197,447 1.385,448 0.369,449 0.492,451 0.929,452 0.368,453 1.193,454 0.688,455 2.787,456 1.004,457 0.059,458 0.064,460 0.143,461 0.056,462 14.957,463 0.453,464 1.114,465 0.034,466 40.5,467 1.227,468 19.5,469 0.591,470 21,471 0.636,472 29.024,473 0.88,474 36.643,475 0.679,476 39.939,477 1.21,478 8.666,479 0.263,480 6.892,481 0.209,482 0.184,483 0.033,484 0.328,487 3,490 0.604,491 1.031,492 0.662,493 1.039,494 0.606,495 0.912,496 0.444,497 0.841,498 0.683,499 1.022,500 0.453,501 0.972,502 0.519,503 0.854,504 0.87,505 1.116,506 0.572,507 1.141,508 0.892,509 0.78,510 0.957,511 0.895,512 0.925,513 0.934,514 1.086,515 1.099,516 1.022,517 1.064,518 1.068,519 1.022,520 0.917,521 0.985,522 0.811,523 0.931,524 0.878,525 0.851,526 1.581,527 1.159,528 1.356,529 1.074,530 1.63,531 1.105,532 1.254,533 1.092,534 1.002,535 0.92,536 1.272,537 0.874,538 8.5,539 0.26,540 4.222,541 2.688,542 2.138,543 1.681,544 0.996,545 0.785,546 0.645,547 0.463,548 13557,549 48758,550 1.952,551 38.9,552 3,553 12,554 1,556 3,558 2,560 1.76,561 1.776,562 3.417,563 0.892,565 1,569 96.974,570 1.796,571 3.866,572 4.703,573 5.157,574 5.32,575 5.32,576 2.751,577 4.718,578 5.02,579 3.605,580 1903.28,581 8.83,582 28397.7,587 310.764,588 1.695,589 4.936,590 0.243,591 0.007,592 0.084,593 0.052,594 0.043,595 0.031,596 0.017,597 0.016,598 0.014,599 0.011,600 0.518,601 0.33,602 1,603 0.954,604 173.426,605 -0.057,606 -0.06,607 0.004,608 0.008,609 -0.088,610 0.03,611 0.346,612 0.209,613 0.128,614 -0.004,615 0.29,616 -0.025,617 0.209,618 -0.029,619 -0.022,620 -0.145,621 0.164,622 -0.181,623 -0.047,624 0.036,625 0.005,626 0.039,627 -0.082,628 0.042,629 -0.061,630 -0.086,631 -0.068,632 -0.092,633 -0.038,634 -0.079,635 0.076,636 -0.098,637 0.174,638 0.008,639 0.142,640 0.1,641 -0.283,642 -0.005,643 -0.339,644 -0.109,645 -0.301,646 -0.206,647 -0.141,648 -0.14,649 0.052,650 0.036,651 -0.117,652 0.101,653 6.394,654 5.699,655 0.545,656 29.675,657 1.033,658 1.144,659 2.626,660 6.896,661 0.663,662 3.584,663 3.932,664 4.127,665 4.331,666 4.543,667 4.585,668 4.595,669 4.7,670 4.727,671 4.71,672 6.882,673 0.66,674 458.48,675 3.584,676 5.142,677 5.974,678 6.855,679 7.709,680 8.594,681 9.456,682 10.343,683 11.209,684 12.098,685 7.4,686 1,692 2,694 1,699 9,704 3,706 12,720 54,723 17,724 2,725 35,727 56,728 23,729 12,730 3,731 9,732 4,735 3,736 3,741 2,747 1,748 2,749 18,750 5,754 5,759 3,761 1,762 1,763 5,765 1,766 3,768 21,769 10,770 3,771 10,775 4,776 1,780 1,781 3,789 3,798 1,800 1,801 1,805 1,807 1,813 3,817 1,819 3,821 33,822 1,828 2,829 1,833 1,834 1,835 1,839 3,840 5.6,843 3,847 18.583,848 9.829,849 7.139,850 2.965,851 2.498,852 1.342,853 0.964,854 7.349,855 9.808,856 3.85,857 4.394,858 4.844,859 5.264,860 5.766,861 5.851,862 6.115,863 6.381,864 6.612,865 6.7,866 1,867 52,868 13.537,870 7.035,871 8.452,872 21.98,874 17.698,877 2.952,878 97.417,881 1,882 211.88,883 144.743,884 70.818,886 75.435,887 44.88,889 144.743,890 287.315,891 115.698,892 8.825,893 67.72,894 85.286,895 95.062,896 71.223,897 11.771,898 200.109,899 7.76,900 211.88,901 215.561,902 120.315,905 188.338,906 143.857,909 92.043,910 120.761,911 2.757,913 256.76,914 146.253,915 144.743,918 219.639,919 33.824,920 106.283,921 18.011,922 169.998,923 211.88,924 191.133,925 144.743,927 0.593,928 0.332,929 0.165,930 0.094,931 22,932 12,933 0.125,934 7,936 1,937 4.136,938 301.026,940 18,941 155.71,945 24.219,946 10.014,947 6.086,949 191.133,950 14.951,955 1.823,957 50.908,958 547.756,959 46,964 37.287,966 1.153,967 4.136,968 -3.881,969 55.763,970 61.793,971 0.312,972 0.672,973 0.817,974 0.896,975 0.924,976 0.924,977 5.112,978 1.668,979 6.009,980 5.696,981 4.615,982 5.081,983 3.683,984 6.849,985 4.541,986 6.336,987 1.428,988 7.602,989 4.713,990 4.443,991 4.924,992 4.103,993 7.984,994 4.25,995 7.654,996 1.414,997 9.306,998 3.66,999 6.286,1000 7.165,1001 5.727,1002 11.015,1003 6.107,1004 9.002,1005 1.126,1006 11.076,1007 3.086,1008 6.878,1009 7.714,1010 6.911,1011 12.94,1012 6.568,1013 10.377,1014 1,1015 12.888,1016 2.543,1017 8.278,1018 9.505,1019 8.321,1020 15.577,1021 7.955,1022 11.773,1023 0.731,1024 14.73,1025 2.136,1026 9.199,1027 10.383,1028 9.666,1029 17.813,1030 8.752,1031 13.184,1032 0.369,1033 16.596,1034 1.911,1035 10.446,1036 11.976,1037 11.049,1038 20.326,1039 9.958,1040 3.352,1041 0.059,1042 18.478,1043 0.929,1044 11.513,1045 13.031,1046 12.422,1047 22.688,1048 10.912,1049 3.172,1050 11.862,1051 20.375,1052 0.143,1053 12.71,1054 14.52,1055 13.803,1056 25.16,1057 12.047,1058 2.66,1059 10.974,1060 22.283,1061 3.937,1062 13.843,1063 15.681,1064 15.182,1065 27.575,1066 13.076,1067 2.625,1068 8.258,1069 24.2,1070 3.61,1071 15.027,1072 17.109,1073 16.562,1074 30.034,1075 14.185,1076 2.377,1077 7.921,1078 26.124,1079 3.517,1080 16.189,1081 18.336,1082 17.941,1083 32.471,1084 15.25,1085 2.206,1086 6.681,1087 28.055,1088 3.426,1089 17.373,1090 19.73,1091 19.321,1092 34.927,1093 16.351,1094 2.003,1095 6.278,1096 29.991,1097 2.919,1098 18.55,1099 21,1100 20.702,1101 37.375,1102 17.435,1103 13419,1104 25697,1105 22.076,1106 35.813,1107 54.139,1108 54.579,1109 54.489,1110 52.645,1111 52.384,1112 66.636,1113 20.489,1114 153.58,1115 50.491,1116 5.425,1117 6.609,1118 6.986,1119 5.312,1120 5.352,1121 6.937,1122 5.695,1123 19.381,1124 5.048,1125 21.179,1126 1.547,1127 1.559,1128 1.557,1129 1.504,1130 1.497,1131 1.904,1132 0.585,1133 4.388,1134 1.443,1135 4.002,1136 4.037,1137 3.955,1138 3.911,1139 8.516,1140 3.913,1141 3.928,1142 3.96,1143 3.864,1144 3.862,1145 7.999,1146 3.856,1147 3.779,1148 3.817,1149 3.723,1150 3.613,1151 7.999,1152 3.639,1153 3.706,1154 3.738,1155 3.679,1156 3.505,1157 7.434,1158 3.537,1159 3.466,1160 3.503,1161 3.428,1162 3.209,1163 7.424,1164 3.248,1165 3.222,1166 3.293,1167 3.122,1168 3.054,1169 7.416,1170 3.044,1171 3.19,1172 3.262,1173 3.056,1174 2.983,1175 5.077,1176 3.005,1177 3.016,1178 3.095,1179 2.874,1180 2.855,1181 4.787,1182 2.853,1183 0.127,1184 0.132,1185 0.205,1186 0.121,1187 0.096,1188 4.462,1189 0.112,1190 4.609,1191 0.114,1192 7.184,1193 0.339,1194 4.242,1195 0.087,1196 3.352,1197 3.937,1198 3.975,1199 11.862,1200 3.048,1201 1.945,1202 1.917,1203 2.057,1204 2.058,1205 1.242,1206 2.052,1207 1.926,1208 1.897,1209 2.05,1210 2.019,1211 1.161,1212 2.03,1213 1.706,1214 1.667,1215 1.82,1216 1.896,1217 0.948,1218 1.883,1219 1.601,1220 1.568,1221 1.732,1222 1.82,1223 0.87,1224 1.788,1225 1.332,1226 1.294,1227 1.537,1228 1.611,1229 0.63,1230 1.565,1231 1.214,1232 1.142,1233 1.525,1234 1.426,1235 0.568,1236 1.464,1237 1.101,1238 1.057,1239 1.245,1240 1.394,1241 0.323,1242 1.359,1243 0.98,1244 0.924,1245 1.186,1246 1.231,1247 0.238,1248 1.224,1249 4.263,1251 5.602,1253 7.124,1255 8.727,1257 10.374,1259 1.826,1261 39.411,1263 5.652,1265 -1.031,1266 2.12,1270 -1.855,1271 0.969,1272 -5.144,1273 35.648,1274 96.974,1275 208.751,1276 253.97,1277 278.499,1278 287.254,1279 287.254,1280 113.957,1281 7.31,1282 107.08,1283 107.08,1284 18,1285 12.632,1286 4.17,1287 3.585,1288 63.771,1289 137,1290 129,1291 0.225,1292 219.773,1293 407.12,1294 528.007,1295 14266,1296 5.6,1297 24.173,1298 0.733,1299 0.533,1300 21.673,1301 17.595,1302 15.558,1303 0.445,1304 0.284,1305 9.74,1306 14.821,1307 9.55,1308 7.894,1309 14.346,1310 9.927,1311 15.004,1312 0.3,1313 0.149,1314 13.094,1315 7.47,1316 11.474,1317 0.188,1318 0.08,1319 10.344,1320 4.865,1321 8.729,1322 0.116,1323 0.044,1324 8.158,1325 3.309,1326 7.024,1327 0.076,1328 0.023,1329 6.828,1330 2.152,1331 0.349,1332 99.016,1333 0.213,1334 30.306,1335 0.631,1336 170,1337 742.475,1338 201.154,1339 633.736,1340 811.13,1341 582,1342 196,1343 552.712,1344 222.609,1345 540.886,1346 805.29,1347 505,1348 6.342}
{0 CHEMBL283109,1 1.565,2 11.143,3 1.769,4 3.129,5 106.177,6 7.317,7 0.414,8 4.014,9 4.144,10 3.539,11 3.533,12 5.189,13 3.508,14 4.505,15 4.682,16 3.831,17 3.864,18 5.676,19 3.81,20 4.787,21 5.005,22 3.861,23 3.961,24 5.959,25 3.888,26 4.81,27 5.048,28 3.818,29 3.895,30 5.97,31 3.826,32 4.762,33 4.988,34 3.821,35 3.861,36 6.055,37 3.802,38 4.742,39 4.981,40 3.794,41 3.879,42 5.901,43 3.802,44 4.718,45 4.95,46 3.8,47 3.887,48 5.857,49 3.822,50 4.706,51 4.928,52 3.806,53 3.917,54 5.921,55 3.844,56 0.068,57 0.753,58 10.553,59 4.554,60 10.672,61 6.082,62 0.239,63 1.129,64 18.749,65 7.176,66 33.046,67 10.121,68 0.494,69 1.355,70 27.233,71 8.749,72 75.575,73 12.388,74 0.453,75 1.327,76 28.783,77 8.618,78 76.977,79 12.393,80 0.606,81 1.275,82 27.398,83 7.82,84 110.427,85 11.377,86 0.48,87 1.268,88 26.651,89 8.227,90 74.312,91 12.126,92 0.372,93 1.258,94 25.7,95 8.059,96 64.092,97 11.6,98 0.395,99 1.253,100 24.946,101 8.25,102 76.75,103 11.79,105 33,106 37,107 0.262,108 0.568,109 0.728,110 0.822,111 0.859,112 0.865,113 3.374,114 0.926,115 -3.44,116 -3.42,117 -3.27,120 40.4,121 2,122 1,128 2,140 10,141 2,149 1,153 3,163 1,165 13,168 2,171 3,173 4,176 14,181 1,182 4,185 2,186 1,187 4,190 8,195 6,198 1,199 1,200 5,203 3,206 2,207 6,210 1,212 5,215 3,219 1,220 8,223 2,225 4,227 6,231 6,235 1,236 6,239 10,244 1,245 5,250 4,253 11,258 6,261 2,263 5,266 12,270 1576,271 18.535,272 18.535,273 18.535,274 18.535,275 18.535,276 16.397,277 15.996,278 11.455,279 18.636,280 14.328,281 14.328,282 14.328,283 14.328,284 14.328,285 11.163,286 14.483,287 5.487,288 14.441,289 4.135,290 2.308,291 1.351,292 0.789,293 0.567,294 0.529,295 4.039,300 1,301 1,302 1,303 635,304 4.69,307 230.975,313 1.51,314 31.564,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 61,326 312,327 4.16,328 3.737,329 6.053,330 3.84,331 2.844,332 3.675,333 1.956,334 8.716,335 2.831,336 3.951,337 3.58,338 5.9,339 3.736,340 2.745,341 3.457,342 1.886,343 8.06,344 2.71,345 3.923,346 3.477,347 5.557,348 3.599,349 2.601,350 3.123,351 1.114,352 7.59,353 2.593,354 3.534,355 2.948,356 5.047,357 3.198,358 2.218,359 2.724,360 0.873,361 6.118,362 2.171,363 3.452,364 2.498,365 4.669,366 3.109,367 2.086,368 2.62,369 0.248,370 5.108,371 2.113,372 3.207,373 2.178,374 4.191,375 2.739,376 1.729,377 2.405,379 3.946,380 1.74,381 2.901,382 2.011,383 3.809,384 2.453,385 1.462,386 2.04,388 3.186,389 1.447,390 2.654,391 1.682,392 3.589,393 2.313,394 1.332,395 1.64,397 2.988,398 1.301,399 2.5,400 1.471,401 3.443,402 2.043,403 1.033,404 1.5,406 2.462,407 1.036,408 2.5,409 1.323,410 3.247,411 2,412 1,413 1.5,415 2.136,416 1,417 2.466,418 1,419 3.247,420 2,421 1,422 1.382,424 2.136,425 1,426 2.266,427 1,428 3.122,429 1.767,430 0.758,431 1.025,433 1.701,434 0.755,435 1.182,436 0.667,437 2.701,438 0.924,439 -0.08,440 -0.094,442 -0.202,443 -0.08,444 1.106,445 0.542,446 2.481,447 0.751,448 -0.249,449 -0.298,451 -0.598,452 -0.246,453 0.776,454 0.366,455 2.051,456 0.491,457 -0.499,458 -0.531,460 -1.172,461 -0.488,462 13.1,463 0.468,464 0.634,465 0.023,466 34.75,467 1.241,468 18,469 0.643,470 16.75,471 0.598,472 22.099,473 0.789,474 30.7,475 0.59,476 28.392,477 1.014,478 7.4,479 0.264,480 6.052,481 0.216,482 0.153,484 0.267,490 0.658,491 1.211,492 0.824,493 1.083,494 0.562,495 0.99,496 0.568,497 1.281,498 0.893,499 1.175,500 0.562,501 1.102,502 1.105,503 1.007,504 1.105,505 1.02,506 1.095,507 1.052,508 1.268,509 1.006,510 1.038,511 0.955,512 1.215,513 0.951,514 1.276,515 1.055,516 1.08,517 0.92,518 1.227,519 0.952,520 0.965,521 1.019,522 0.946,523 0.908,524 0.942,525 0.918,526 1.138,527 0.968,528 0.978,529 0.889,530 1.03,531 0.893,532 0.966,533 0.983,534 1.006,535 0.97,536 0.816,537 0.975,538 5.5,539 0.202,540 2.444,541 1.625,542 0.982,543 0.604,544 0.448,545 0.321,546 0.341,547 0.232,548 9409,549 27887,550 1.956,551 46.2,553 12,555 1,556 3,557 3,558 5,560 1.715,561 1.826,562 3.444,563 0.917,564 1,565 1,569 81.39,570 1.565,571 3.393,572 4.35,573 4.912,574 5.133,575 5.171,576 2.833,577 4.28,578 4.778,579 3.639,580 1375.46,581 8.334,582 19402.7,584 1,586 1,587 296.423,588 1.405,589 4.732,590 0.19,591 0.007,592 0.066,593 0.045,594 0.029,595 0.018,596 0.013,597 0.009,598 0.01,599 0.007,600 0.394,601 0.33,602 1,603 1.817,604 142.603,605 -0.014,606 0.028,607 0.014,608 0.011,609 -0.048,610 0.016,611 0.164,612 -0.149,614 -0.134,615 0.066,616 -0.106,617 -0.041,618 0.038,619 -0.127,620 -0.06,621 -0.086,622 -0.103,623 -0.12,624 -0.014,625 -0.025,626 -0.023,627 -0.091,628 -0.009,629 -0.017,630 -0.041,631 -0.06,632 0.003,633 0.015,634 -0.03,635 0.036,636 -0.014,637 0.045,638 0.043,639 -0.004,640 0.042,641 -0.126,642 0.056,643 0.006,644 0.067,645 -0.073,646 0.064,647 -0.023,648 0.055,649 -0.043,650 0.01,651 0.065,652 -0.004,653 2.112,654 5.464,655 0.429,656 27.857,657 1.004,658 1.13,659 2.211,660 4.891,661 0.654,662 3.401,663 3.638,664 3.761,665 3.892,666 3.989,667 3.871,668 3.951,669 4.007,670 4.078,671 4.043,672 6.999,673 0.625,674 380.49,675 3.401,676 4.89,677 5.673,678 6.494,679 7.292,680 8.115,681 8.921,682 9.745,683 10.554,684 11.378,685 7.7,692 3,694 1,699 10,704 2,706 12,710 1,720 52,723 16,724 2,725 29,727 53,728 21,729 12,730 2,731 10,732 1,735 2,736 2,738 1,741 2,748 3,749 16,750 5,754 4,759 3,761 1,762 1,763 3,764 1,765 1,768 24,769 7,770 3,771 7,775 4,780 1,781 3,789 2,800 1,813 2,817 2,821 28,828 1,829 3,833 2,840 5.8,843 3,847 15.333,848 9.533,849 6.389,850 2.95,851 1.926,852 1.295,853 0.925,854 8.381,855 8.451,856 3.689,857 4.143,858 4.516,859 4.914,860 5.322,861 5.134,862 5.379,863 5.546,864 5.828,865 6.039,866 1,867 36,868 10.353,870 4.241,871 8,872 19.223,874 14.791,877 2.5,878 70,882 247.193,883 144.48,884 70.573,886 75.435,889 144.48,890 322.628,891 70.573,892 17.65,893 56.444,894 94.762,895 110.367,896 23.034,898 235.422,900 247.193,901 215.053,902 75.435,905 188.338,906 134.29,909 90.758,910 115.248,911 9.047,913 247.193,914 146.008,915 144.48,918 247.193,919 23.02,920 121.46,921 53.91,922 92.098,923 247.193,924 146.008,925 144.48,927 0.563,928 0.304,929 0.154,930 0.079,931 13,932 7,933 0.151,934 8,936 1,937 3.994,938 213.929,940 12,941 126.606,945 21.327,946 11.003,947 7.668,949 146.008,950 18.52,955 1.558,957 53.91,958 537.681,959 39,964 35.422,966 1.478,967 3.952,968 -0.978,969 52.225,970 58.773,971 0.275,972 0.595,973 0.763,974 0.862,975 0.9,976 0.907,977 4.875,978 1.332,979 5.617,980 3.186,981 4.317,982 4.828,983 2.852,984 6.301,985 4.303,986 6.032,987 1.033,988 7.102,989 2.988,990 3.761,991 4.331,992 2.179,993 6.952,994 3.767,995 7.281,996 1,997 8.687,998 2.462,999 5.79,1000 6.793,1001 3.721,1002 9.979,1003 5.755,1004 8.557,1005 1,1006 10.329,1007 2.136,1008 6.019,1009 7.03,1010 3.719,1011 11.44,1012 6.005,1013 9.861,1014 0.758,1015 12.008,1016 2.136,1017 7.517,1018 9.008,1019 4.822,1020 13.952,1021 7.467,1022 11.182,1023 -0.08,1024 13.713,1025 1.701,1026 8.124,1027 9.612,1028 5.139,1029 15.759,1030 8.089,1031 12.519,1032 -0.249,1033 15.436,1034 -0.202,1035 9.378,1036 11.353,1037 6.032,1038 18.063,1039 9.316,1040 2.844,1041 -0.499,1042 17.171,1043 -0.598,1044 10.182,1045 12.174,1046 6.508,1047 20.033,1048 10.126,1049 2.745,1050 8.716,1051 18.917,1052 -1.172,1053 11.316,1054 13.773,1055 7.294,1056 22.246,1057 11.242,1058 2.601,1059 8.06,1060 20.669,1061 3.675,1062 12.223,1063 14.736,1064 7.853,1065 24.297,1066 12.15,1067 2.218,1068 7.59,1069 22.428,1070 3.457,1071 13.299,1072 16.24,1073 8.581,1074 26.47,1075 13.213,1076 2.086,1077 6.118,1078 24.191,1079 3.123,1080 14.261,1081 17.3,1082 9.184,1083 28.563,1084 14.173,1085 1.729,1086 5.108,1087 25.957,1088 2.724,1089 15.309,1090 18.739,1091 9.881,1092 30.718,1093 15.211,1094 1.462,1095 3.946,1096 27.727,1097 2.62,1098 16.3,1099 19.867,1100 10.508,1101 32.835,1102 16.198,1103 9521,1104 16499,1105 18.781,1106 34,1107 42.753,1108 43.852,1109 42.803,1110 41.596,1111 41.614,1112 54.184,1113 12.155,1114 108.293,1115 41.392,1116 5.055,1117 5.737,1118 5.855,1119 4.866,1120 4.844,1121 6.675,1122 3.429,1123 14.912,1124 4.831,1125 15.635,1126 1.474,1127 1.512,1128 1.476,1129 1.434,1130 1.435,1131 1.868,1132 0.419,1133 3.734,1134 1.427,1135 3.967,1136 4.002,1137 3.898,1138 3.888,1139 7.435,1140 3.884,1141 3.888,1142 3.916,1143 3.818,1144 3.831,1145 7.428,1146 3.824,1147 3.767,1148 3.82,1149 3.691,1150 3.548,1151 7.424,1152 3.574,1153 3.607,1154 3.669,1155 3.515,1156 3.429,1157 4.782,1158 3.439,1159 3.43,1160 3.479,1161 3.335,1162 3.196,1163 4.721,1164 3.214,1165 3.228,1166 3.29,1167 3.142,1168 3.012,1169 4.677,1170 3.038,1171 3.113,1172 3.181,1173 2.951,1174 2.89,1175 4.183,1176 2.898,1177 2.881,1178 2.943,1179 2.724,1180 2.735,1181 4.009,1182 2.715,1183 0.143,1184 0.129,1185 0.209,1186 0.132,1187 0.098,1188 4.16,1189 0.127,1190 3.737,1191 0.067,1192 6.053,1193 0.301,1194 3.84,1195 0.098,1196 2.844,1197 3.675,1198 1.956,1199 8.716,1200 2.831,1201 1.932,1202 1.903,1203 2.06,1204 2.035,1205 1.241,1206 2.042,1207 1.895,1208 1.869,1209 2.014,1210 1.976,1211 1.074,1212 1.991,1213 1.674,1214 1.62,1215 1.869,1216 1.92,1217 1.018,1218 1.902,1219 1.56,1220 1.502,1221 1.749,1222 1.769,1223 0.902,1224 1.765,1225 1.366,1226 1.31,1227 1.666,1228 1.624,1229 0.698,1230 1.63,1231 1.126,1232 1.092,1233 1.332,1234 1.434,1235 0.371,1236 1.412,1237 1.073,1238 0.991,1239 1.283,1240 1.316,1241 0.259,1242 1.314,1243 0.886,1244 0.821,1245 1.181,1246 1.105,1247 0.218,1248 1.122,1249 4.078,1251 5.333,1253 6.76,1255 8.261,1257 9.799,1259 2.896,1265 0.514,1266 7.769,1270 -1.132,1273 32.498,1274 81.39,1275 176.421,1276 226.184,1277 255.403,1278 266.913,1279 268.913,1280 79.281,1281 6.525,1282 99.66,1283 99.66,1284 12,1285 11.959,1286 4.087,1287 3.459,1288 61.576,1289 110,1290 120,1291 0.25,1292 207.315,1293 369.31,1294 497.608,1295 5063,1297 20.355,1298 0.727,1299 0.567,1300 20.355,1301 15.885,1302 13.452,1303 0.464,1304 0.309,1305 8.845,1306 12.967,1307 8.581,1308 7.21,1309 13.452,1310 8.954,1311 11.732,1312 0.317,1313 0.171,1314 11.732,1315 6.312,1316 8.638,1317 0.206,1318 0.093,1319 8.638,1320 3.893,1321 6.637,1322 0.138,1323 0.052,1324 6.637,1325 2.508,1326 4.8,1327 0.091,1328 0.028,1329 4.8,1330 1.478,1331 0.396,1332 84.217,1333 0.231,1334 27.115,1335 0.676,1336 132,1337 429.85,1338 145.859,1339 415.202,1340 543.18,1341 384,1342 145,1343 376.952,1344 157.559,1345 380.937,1346 538.52,1347 357,1348 4.509}
{0 CHEMBL283786,1 1.73,2 14.488,3 2.201,4 4.845,5 154.079,6 8.19,7 0.391,8 4.374,9 4.485,10 3.995,11 3.894,12 5.613,13 3.903,14 4.89,15 5.038,16 4.381,17 4.254,18 6.253,19 4.254,20 5.167,21 5.336,22 4.537,23 4.392,24 6.713,25 4.379,26 5.258,27 5.457,28 4.477,29 4.38,30 6.606,31 4.368,32 5.275,33 5.467,34 4.563,35 4.4,36 6.739,37 4.408,38 5.306,39 5.488,40 4.649,41 4.41,42 6.848,43 4.443,44 5.336,45 5.513,46 4.627,47 4.398,48 6.881,49 4.443,50 5.314,51 5.501,52 4.561,53 4.412,54 6.787,55 4.42,56 0.2,57 1.174,58 12.102,59 6.324,60 30.98,61 7.304,62 0.747,63 1.988,64 24.04,65 10.383,66 96.024,67 12.302,68 1.423,69 2.278,70 35.066,71 13.341,72 233.963,73 16.404,74 1.352,75 2.429,76 41.981,77 13.831,78 209.688,79 16.922,80 1.497,81 2.578,82 42.761,83 14.579,84 231.4,85 16.908,86 1.432,87 2.582,88 43.551,89 14.622,90 226.066,91 16.915,92 1.819,93 2.85,94 46.001,95 14.253,96 248.783,97 14.62,98 1.625,99 2.637,100 44.963,101 14.989,102 246.987,103 16.829,105 66,106 64,107 0.266,108 0.584,109 0.729,110 0.83,111 0.867,112 0.88,113 3.788,114 0.859,115 -3.51,116 -3.48,117 -3.33,120 43.1,122 1,125 1,126 2,128 1,131 1,137 1,138 1,140 14,141 3,142 1,151 1,153 4,158 1,159 1,160 1,165 17,167 2,168 4,171 2,173 2,176 18,181 1,182 7,184 3,185 5,187 3,190 10,194 2,195 7,198 1,200 4,203 1,206 5,207 12,210 3,211 1,212 6,217 1,219 1,220 12,222 1,223 1,224 1,225 6,226 1,229 2,230 2,231 14,234 1,236 5,239 2,242 1,244 4,245 11,247 1,248 3,250 7,253 6,256 2,258 10,260 1,261 1,263 4,266 11,268 1,270 4389,271 28.54,272 28.54,273 28.54,274 28.54,275 28.54,276 25.402,277 28.785,278 16.812,279 29.014,280 22.569,281 22.569,282 22.569,283 22.569,284 22.569,285 17.743,286 30.044,287 7.891,288 23.258,289 4.44,290 2.377,291 1.44,292 0.783,293 0.538,294 0.455,295 4.474,302 1,303 1317,304 5.292,307 675.698,313 2.035,314 85.805,317 0.75,318 0.5,319 0.67,320 0.5,321 0.5,322 0.5,324 0.49,325 96.5,326 623,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.942,333 3.524,334 13.509,335 3.271,336 4.458,337 3.824,338 6.75,339 4.13,340 3.174,341 3.814,342 1.973,343 10.977,344 3.032,345 4.058,346 3.597,347 5.989,348 3.682,349 2.701,350 3.531,351 1.905,352 8.367,353 2.642,354 3.949,355 3.441,356 5.965,357 3.649,358 2.666,359 3.455,360 1.274,361 8.273,362 2.619,363 3.894,364 3.074,365 5.368,366 3.511,367 2.518,368 3.439,369 1.251,370 6.988,371 2.5,372 3.726,373 2.908,374 5.359,375 3.385,376 2.388,377 2.953,378 0.86,379 6.798,380 2.373,381 3.632,382 2.762,383 5.303,384 3.23,385 2.277,386 2.898,387 0.78,388 6.677,389 2.171,390 3.45,391 2.717,392 5.146,393 3.107,394 2.099,395 2.6,396 0.532,397 6.033,398 2.093,399 3.103,400 2.661,401 4.864,402 2.696,403 1.738,404 2.166,405 0.315,406 4.946,407 1.651,408 2.975,409 2.142,410 4.567,411 2.601,412 1.63,413 2.116,414 0.155,415 4.243,416 1.572,417 2.951,418 1.993,419 4.246,420 2.465,421 1.459,422 2.059,424 3.73,425 1.466,426 2.903,427 1.944,428 3.76,429 2.412,430 1.453,431 2.045,433 3.121,434 1.384,435 2.708,436 1.646,437 3.603,438 2.328,439 1.348,440 1.696,442 3.014,443 1.301,444 2.614,445 1.514,446 3.515,447 2.122,448 1.133,449 1.641,451 2.566,452 1.117,453 2.5,454 1.491,455 3.487,456 2,457 1,458 1.5,460 2.136,461 1,462 19.738,463 0.459,464 1.163,465 0.027,466 55,467 1.279,468 27.5,469 0.64,470 27.5,471 0.64,472 39.84,473 0.927,474 46.862,475 0.651,476 58.247,477 1.355,478 11.788,479 0.274,480 8.807,481 0.205,482 0.142,483 0.025,484 0.299,486 2,490 0.661,491 1.103,492 0.701,493 1.049,494 0.597,495 0.915,496 0.712,497 1.064,498 0.802,499 1.054,500 0.632,501 0.978,502 0.689,503 1.001,504 0.891,505 1.1,506 0.737,507 1.076,508 1.119,509 1.033,510 1.04,511 0.986,512 1.172,513 0.983,514 1.23,515 1.167,516 1.016,517 0.991,518 1.29,519 0.943,520 1.238,521 1.199,522 0.887,523 1.004,524 1.283,525 0.875,526 1.796,527 1.293,528 1.248,529 0.96,530 1.822,531 0.927,532 1.405,533 1.181,534 1.115,535 0.98,536 1.538,537 0.963,538 9.5,539 0.43,540 5.556,541 3.25,542 2.729,543 2.111,544 1.446,545 1.128,546 0.818,547 0.644,548 29650,549 93927,550 2.001,551 40.3,553 22,554 1,556 4,558 2,560 1.824,561 1.849,562 3.763,563 1.418,569 124.554,570 1.73,571 3.793,572 4.73,573 5.387,574 5.632,575 5.715,576 3.229,577 5.101,578 5.397,579 3.959,580 3575.11,581 9.594,582 64987.6,587 444.235,588 1.586,589 5.338,590 0.207,591 0.006,592 0.087,593 0.046,594 0.041,595 0.029,596 0.019,597 0.015,598 0.012,599 0.009,600 0.471,601 0.17,602 0.63,603 0.704,604 246.487,605 -0.064,606 -0.066,607 0.014,608 -0.006,609 -0.079,610 0.026,611 0.107,612 0.005,613 0.035,614 -0.042,615 0.074,616 -0.034,617 0.274,618 0.009,619 0.03,620 -0.116,621 0.235,622 -0.13,623 -0.064,624 -0.032,625 -0.048,626 -0.032,627 -0.083,628 -0.034,629 -0.018,630 -0.006,631 -0.003,632 -0.016,633 -0.033,634 -0.004,635 -0.027,636 -0.168,637 0.125,638 -0.044,639 0.04,640 0.057,641 -0.243,642 0.008,643 -0.185,644 -0.006,645 -0.202,646 -0.052,647 -0.11,648 -0.051,649 -0.086,650 -0.01,651 -0.134,652 -0.034,653 5.719,654 7.211,655 0.558,656 52.45,657 1.023,658 1.134,659 2.277,660 5.186,661 0.668,662 3.85,663 4.174,664 4.419,665 4.595,666 4.804,667 4.836,668 4.905,669 4.997,670 5.069,671 5.1,672 8.526,673 0.657,674 589.65,675 3.85,676 5.398,677 6.24,678 7.111,679 7.972,680 8.849,681 9.718,682 10.599,683 11.473,684 12.357,685 6.9,686 1,692 3,694 1,699 14,704 4,706 18,718 1,720 72,723 24,724 3,725 46,727 75,728 31,729 18,730 4,731 14,732 4,735 4,736 4,743 1,748 3,749 25,750 6,754 6,759 4,761 1,762 1,763 6,766 2,768 29,769 12,770 4,771 12,775 5,776 1,780 1,781 5,789 4,798 1,800 2,801 1,805 1,807 1,813 4,817 1,819 2,821 43,822 1,828 3,829 2,830 1,833 1,834 1,835 1,839 2,840 6.9,843 4,845 1,847 23.25,848 12.936,849 9.556,850 3.916,851 2.641,852 1.335,853 0.968,854 10.28,855 10.526,856 4.127,857 4.659,858 5.14,859 5.551,860 6.031,861 6.064,862 6.349,863 6.598,864 6.851,865 6.971,866 0.9,867 70,868 16.717,870 8.014,871 8.227,872 29.072,874 23.345,877 2.727,878 117.25,882 294.278,883 200.3,884 88.829,886 111.58,887 29.92,889 200.3,890 405.857,891 118.749,892 10.883,893 87.836,894 132.667,895 124.912,896 74.33,897 11.771,898 282.506,900 294.278,901 289.129,902 141.5,905 270.735,906 165.042,908 1.824,909 95.574,910 188.973,911 2.757,913 324.198,914 200.408,915 200.3,918 296.102,919 45.878,920 155.722,921 36.022,922 191.183,923 294.278,924 230.328,925 200.3,927 0.583,928 0.344,929 0.171,930 0.094,931 27,932 14,933 0.16,934 12,936 1,937 4.958,938 436.189,940 24,941 223.329,945 31.392,946 14.081,947 7.848,949 230.328,950 23.049,955 1.895,957 68.919,958 724.906,959 61,964 51.808,966 1.141,967 4.19,968 -5.498,969 73.658,970 81.616,971 0.28,972 0.615,973 0.767,974 0.873,975 0.913,976 0.926,977 5.373,978 2.099,979 6.248,980 6.677,981 4.86,982 5.347,983 3.73,984 7.084,985 4.8,986 6.579,987 1.738,988 7.838,989 6.033,990 4.575,991 5.094,992 3.758,993 8.242,994 4.44,995 7.888,996 1.63,997 9.545,998 4.946,999 6.512,1000 7.426,1001 5.401,1002 11.325,1003 6.369,1004 9.23,1005 1.459,1006 11.328,1007 4.243,1008 7.066,1009 7.928,1010 6.325,1011 13.372,1012 6.826,1013 10.606,1014 1.453,1015 13.163,1016 3.73,1017 8.51,1018 9.768,1019 7.653,1020 16.076,1021 8.249,1022 12.005,1023 1.348,1024 15.037,1025 3.121,1026 9.437,1027 10.62,1028 8.832,1029 18.462,1030 9.074,1031 13.422,1032 1.133,1033 16.941,1034 3.014,1035 10.717,1036 12.244,1037 10.102,1038 21.073,1039 10.311,1040 3.517,1041 1,1042 18.87,1043 2.566,1044 11.812,1045 13.286,1046 11.342,1047 23.586,1048 11.309,1049 3.174,1050 13.509,1051 20.819,1052 2.136,1053 13.044,1054 14.795,1055 12.603,1056 26.178,1057 12.48,1058 2.701,1059 10.977,1060 22.784,1061 3.942,1062 14.215,1063 15.949,1064 13.858,1065 28.739,1066 13.561,1067 2.666,1068 8.367,1069 24.761,1070 3.814,1071 15.438,1072 17.391,1073 15.118,1074 31.329,1075 14.713,1076 2.518,1077 8.273,1078 26.749,1079 3.531,1080 16.644,1081 18.615,1082 16.376,1083 33.911,1084 15.834,1085 2.388,1086 6.988,1087 28.745,1088 3.455,1089 17.871,1090 20.018,1091 17.635,1092 36.504,1093 16.986,1094 2.277,1095 6.798,1096 30.748,1097 3.439,1098 19.095,1099 21.287,1100 18.895,1101 39.095,1102 18.128,1103 28616,1104 51178,1105 29.819,1106 48.074,1107 69.867,1108 71.6,1109 70.837,1110 68.207,1111 68.114,1112 87.563,1113 25.139,1114 195.835,1115 66.118,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.942,1122 5.246,1123 21.66,1124 5.271,1125 25.006,1126 1.519,1127 1.557,1128 1.54,1129 1.483,1130 1.481,1131 1.904,1132 0.546,1133 4.257,1134 1.437,1135 4.009,1136 4.042,1137 3.962,1138 3.907,1139 8.363,1140 3.911,1141 3.935,1142 3.965,1143 3.881,1144 3.855,1145 7.999,1146 3.855,1147 3.904,1148 3.937,1149 3.829,1150 3.842,1151 7.436,1152 3.834,1153 3.778,1154 3.808,1155 3.733,1156 3.607,1157 7.426,1158 3.635,1159 3.738,1160 3.764,1161 3.703,1162 3.549,1163 7.423,1164 3.584,1165 3.541,1166 3.586,1167 3.481,1168 3.296,1169 7.411,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.15,1175 5.079,1176 3.162,1177 3.258,1178 3.32,1179 3.11,1180 2.994,1181 4.878,1182 3.01,1183 0.101,1184 0.101,1185 0.167,1186 0.097,1187 0.076,1188 4.631,1189 0.086,1190 4.65,1191 0.077,1192 7.668,1193 0.294,1194 4.449,1195 0.071,1196 3.517,1197 3.942,1198 3.524,1199 13.509,1200 3.271,1201 1.93,1202 1.902,1203 2.057,1204 2.055,1205 1.245,1206 2.044,1207 1.918,1208 1.893,1209 2.04,1210 2.024,1211 1.151,1212 2.025,1213 1.91,1214 1.88,1215 2.01,1216 2,1217 1.11,1218 2.015,1219 1.698,1220 1.663,1221 1.811,1222 1.89,1223 0.942,1224 1.872,1225 1.633,1226 1.607,1227 1.74,1228 1.844,1229 0.863,1230 1.81,1231 1.423,1232 1.379,1233 1.591,1234 1.696,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.569,1240 1.529,1241 0.596,1242 1.531,1243 1.199,1244 1.131,1245 1.52,1246 1.509,1247 0.57,1248 1.524,1249 4.533,1251 5.855,1253 7.373,1255 8.977,1257 10.625,1259 1.456,1261 30.422,1263 5.762,1265 -1.26,1266 4.375,1267 5.22,1270 -1.808,1271 0.966,1272 -4.469,1273 47.296,1274 124.554,1275 273.109,1276 340.525,1277 387.828,1278 405.48,1279 411.48,1280 156.601,1281 7.885,1282 145.41,1283 145.41,1284 24,1285 12.892,1286 4.644,1287 4,1288 81.541,1289 213,1290 251,1291 0.175,1292 290.998,1293 534.21,1294 701.794,1295 30646,1296 2.8,1297 30.985,1298 0.721,1299 0.538,1300 29.192,1301 23.128,1302 20.595,1303 0.448,1304 0.286,1305 12.934,1306 19.68,1307 12.69,1308 10.503,1309 19.834,1310 13.172,1311 18.611,1312 0.291,1313 0.15,1314 17.418,1315 9.577,1316 15.708,1317 0.192,1318 0.08,1319 14.196,1320 6.528,1321 11.634,1322 0.119,1323 0.044,1324 11.242,1325 4.309,1326 9.324,1327 0.077,1328 0.023,1329 9.225,1330 2.84,1331 0.276,1332 130.635,1333 0.183,1334 37.86,1335 0.483,1336 220,1337 850.168,1338 251.618,1339 759.244,1340 988.78,1341 702,1342 256,1343 683.251,1344 288.814,1345 678.554,1346 999.81,1347 635,1348 6.963}
{0 CHEMBL284005,1 1.767,2 13.833,3 2.423,4 5.871,5 147.832,6 8.494,7 0.4,8 4.322,9 4.433,10 3.97,11 3.858,12 5.593,13 3.871,14 4.835,15 4.977,16 4.37,17 4.222,18 6.255,19 4.227,20 5.142,21 5.316,22 4.518,23 4.347,24 6.728,25 4.341,26 5.209,27 5.411,28 4.452,29 4.311,30 6.603,31 4.312,32 5.204,33 5.389,34 4.542,35 4.327,36 6.74,37 4.353,38 5.249,39 5.426,40 4.628,41 4.35,42 6.845,43 4.398,44 5.279,45 5.453,46 4.6,47 4.33,48 6.913,49 4.387,50 5.242,51 5.432,52 4.525,53 4.32,54 6.808,55 4.345,56 0.233,57 1.202,58 10.402,59 5.938,60 41.835,61 6.564,62 0.719,63 2.043,64 20.38,65 9.866,66 103.644,67 11.27,68 1.514,69 2.337,70 33.295,71 13.026,72 262.616,73 15.425,74 1.47,75 2.403,76 39.626,77 13.089,78 246.097,79 15.367,80 1.597,81 2.543,82 38.246,83 13.323,84 262.755,85 14.573,86 1.535,87 2.582,88 39.898,89 13.904,90 262.946,91 15.187,92 1.949,93 2.867,94 42.166,95 13.948,96 322.975,97 13.213,98 1.79,99 2.577,100 41.626,101 13.701,102 311.526,103 14.745,105 65,106 63,107 0.275,108 0.587,109 0.721,110 0.829,111 0.869,112 0.883,113 3.765,114 0.85,115 -4.14,116 -4.09,117 -3.87,120 44.1,122 1,126 2,128 1,131 1,137 1,138 1,140 14,141 3,142 1,151 1,153 4,158 1,159 1,160 1,165 17,167 2,168 2,171 2,173 2,176 18,181 1,182 5,184 3,185 5,187 3,190 10,194 2,195 6,198 1,200 4,203 1,206 3,207 12,210 3,211 1,212 6,217 1,219 1,220 12,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 14,234 1,236 5,239 2,242 1,244 3,245 11,248 1,250 7,253 6,256 2,258 10,260 1,261 1,263 4,266 11,268 1,270 4152,271 27.669,272 27.669,273 27.669,274 27.669,275 27.669,276 24.48,277 26.099,278 16.309,279 28.028,280 22.141,281 22.141,282 22.141,283 22.141,284 22.141,285 17.32,286 26.055,287 7.745,288 22.764,289 4.32,290 2.317,291 1.455,292 0.76,293 0.5,294 0.412,295 4.451,302 1,303 1231,304 5.196,307 659.806,313 2.127,314 92.732,317 0.75,318 0.5,319 0.67,320 0.5,322 0.67,323 0.5,324 0.51,325 95,326 581,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.814,342 1.973,343 10.975,344 3.03,345 4.042,346 3.597,347 5.988,348 3.678,349 2.697,350 3.518,351 1.905,352 8.352,353 2.638,354 3.949,355 3.441,356 5.958,357 3.632,358 2.646,359 3.455,360 1.274,361 8.231,362 2.603,363 3.894,364 3.09,365 5.361,366 3.511,367 2.518,368 3.439,369 1.251,370 6.988,371 2.5,372 3.725,373 2.908,374 5.306,375 3.385,376 2.387,377 2.938,378 0.78,379 6.729,380 2.372,381 3.594,382 2.806,383 5.271,384 3.179,385 2.217,386 2.878,387 0.532,388 6.355,389 2.148,390 3.446,391 2.717,392 5.047,393 3.082,394 2.084,395 2.598,396 0.315,397 5.851,398 2.032,399 3.1,400 2.661,401 4.807,402 2.685,403 1.727,404 2.158,405 0.155,406 4.861,407 1.639,408 2.974,409 2.142,410 4.558,411 2.596,412 1.625,413 2.112,415 4.234,416 1.567,417 2.915,418 1.991,419 4.21,420 2.465,421 1.459,422 2.059,424 3.659,425 1.466,426 2.903,427 1.925,428 3.76,429 2.373,430 1.414,431 2.01,433 3.121,434 1.344,435 2.708,436 1.646,437 3.603,438 2.328,439 1.348,440 1.695,442 3.014,443 1.3,444 2.61,445 1.498,446 3.512,447 2.115,448 1.126,449 1.637,451 2.542,452 1.111,453 2.5,454 1.49,455 3.477,456 2,457 1,458 1.5,460 2.136,461 1,462 19.19,463 0.457,464 1.201,465 0.029,466 53.75,467 1.28,468 27,469 0.643,470 26.75,471 0.637,472 38.268,473 0.911,474 45.61,475 0.671,476 56.838,477 1.353,478 11.507,479 0.274,480 8.55,481 0.204,482 0.135,483 0.026,484 0.307,486 2,488 1,490 0.613,491 1.022,492 0.668,493 0.995,494 0.584,495 0.88,496 0.612,497 1.068,498 0.772,499 1.118,500 0.612,501 1.035,502 0.704,503 0.976,504 0.9,505 1.092,506 0.765,507 1.084,508 1.099,509 0.974,510 1.026,511 0.942,512 1.114,513 0.947,514 1.226,515 1.074,516 1.039,517 0.981,518 1.245,519 0.944,520 1.211,521 1.134,522 0.879,523 0.982,524 1.218,525 0.856,526 1.749,527 1.311,528 1.269,529 1.014,530 1.754,531 0.969,532 1.354,533 1.046,534 1.09,535 0.899,536 1.386,537 0.897,538 9.5,539 0.43,540 5.556,541 3.25,542 2.689,543 2.049,544 1.446,545 1.082,546 0.748,547 0.644,548 27905,549 93764,550 2.001,551 38.2,553 19,554 1,556 4,558 2,560 1.819,561 1.846,562 3.709,563 1.438,569 120.165,570 1.767,571 3.77,572 4.632,573 5.328,574 5.587,575 5.676,576 3.204,577 5.011,578 5.363,579 3.924,580 3378.73,581 9.526,582 60386.3,587 413.947,588 1.6,589 5.302,590 0.211,591 0.006,592 0.088,593 0.048,594 0.042,595 0.029,596 0.019,597 0.015,598 0.011,599 0.01,600 0.479,601 0.17,602 0.75,603 0.584,604 238.966,605 -0.06,606 -0.044,607 0.005,608 0.023,609 -0.071,610 0.04,611 0.123,612 -0.046,613 0.017,614 -0.117,615 0.071,616 -0.101,617 0.236,618 -0.004,619 0.025,620 -0.118,621 0.175,622 -0.134,623 -0.077,624 -0.039,625 -0.023,626 0.001,627 -0.088,628 0.007,629 -0.039,630 0.031,631 -0.036,632 -0.017,633 -0.057,634 -0.02,635 -0.049,636 -0.168,637 0.127,638 -0.025,639 0.007,640 0.077,641 -0.239,642 -0.038,643 -0.209,644 -0.043,645 -0.203,646 -0.089,647 -0.101,648 0.013,649 -0.05,650 0.06,651 -0.089,652 0.033,653 5.746,654 7.154,655 0.571,656 50.177,657 1.029,658 1.137,659 2.914,660 8.494,661 0.673,662 3.829,663 4.159,664 4.394,665 4.575,666 4.779,667 4.804,668 4.86,669 4.956,670 5.011,671 5.05,672 8.361,673 0.668,674 577.61,675 3.829,676 5.38,677 6.221,678 7.093,679 7.953,680 8.83,681 9.698,682 10.58,683 11.453,684 12.338,685 7.4,686 1,692 3,694 1,699 14,704 4,706 18,719 1,720 68,723 24,724 3,725 45,727 71,728 30,729 18,730 4,731 14,732 4,735 4,736 4,743 1,748 3,749 25,750 5,754 6,759 4,761 1,762 1,763 6,766 3,768 26,769 12,770 4,771 12,775 5,776 1,780 1,781 4,789 4,798 1,800 2,801 1,805 1,807 1,813 4,819 3,821 42,822 1,828 3,829 2,833 1,834 1,835 1,839 3,840 5.9,843 4,847 22.75,848 11.912,849 9.222,850 3.743,851 2.603,852 1.333,853 0.978,854 9.691,855 10.413,856 4.111,857 4.649,858 5.122,859 5.533,860 6.009,861 6.024,862 6.297,863 6.551,864 6.795,865 6.899,866 1,867 68,868 16.417,870 8.027,871 8.351,872 28.184,874 22.827,877 2.851,878 119.75,882 258.964,883 193.295,884 88.829,886 100.58,887 44.88,889 193.295,890 359.544,891 133.709,893 87.836,894 132.667,895 124.912,896 67.208,897 26.731,898 247.193,900 258.964,901 282.123,902 145.46,905 250.382,906 154.042,908 1.824,909 95.574,910 181.968,911 2.757,913 303.845,914 189.408,915 193.295,918 260.788,919 49.756,920 144.839,921 36.022,922 195.143,923 258.964,924 234.289,925 193.295,927 0.586,928 0.341,929 0.17,930 0.093,931 27,932 14,933 0.155,934 11,936 1,937 4.891,938 422.809,940 24,941 216.477,945 30.389,946 13.394,947 7.595,949 234.289,950 21.398,955 0.493,957 68.919,958 686.548,959 60,964 51.464,966 1.049,967 4.045,968 -5.947,969 69.96,970 77.331,971 0.29,972 0.619,973 0.761,974 0.875,975 0.918,976 0.932,977 5.359,978 2.084,979 6.232,980 6.355,981 4.844,982 5.338,983 3.694,984 7.069,985 4.786,986 6.569,987 1.727,988 7.823,989 5.851,990 4.575,991 5.094,992 3.758,993 8.228,994 4.433,995 7.879,996 1.625,997 9.531,998 4.861,999 6.497,1000 7.418,1001 5.396,1002 11.313,1003 6.355,1004 9.222,1005 1.459,1006 11.314,1007 4.234,1008 7.057,1009 7.92,1010 6.325,1011 13.363,1012 6.814,1013 10.597,1014 1.414,1015 13.15,1016 3.659,1017 8.498,1018 9.759,1019 7.653,1020 16.07,1021 8.237,1022 11.996,1023 1.348,1024 15.025,1025 3.121,1026 9.428,1027 10.61,1028 8.832,1029 18.458,1030 9.063,1031 13.413,1032 1.126,1033 16.932,1034 3.014,1035 10.707,1036 12.234,1037 10.102,1038 21.071,1039 10.301,1040 3.517,1041 1,1042 18.862,1043 2.542,1044 11.805,1045 13.274,1046 11.342,1047 23.585,1048 11.3,1049 3.173,1050 13.509,1051 20.812,1052 2.136,1053 13.037,1054 14.783,1055 12.603,1056 26.177,1057 12.472,1058 2.697,1059 10.975,1060 22.778,1061 3.937,1062 14.209,1063 15.936,1064 13.858,1065 28.738,1066 13.553,1067 2.646,1068 8.352,1069 24.757,1070 3.814,1071 15.433,1072 17.378,1073 15.118,1074 31.329,1075 14.706,1076 2.518,1077 8.231,1078 26.745,1079 3.518,1080 16.64,1081 18.601,1082 16.376,1083 33.91,1084 15.828,1085 2.387,1086 6.988,1087 28.743,1088 3.455,1089 17.868,1090 20.004,1091 17.635,1092 36.503,1093 16.98,1094 2.217,1095 6.729,1096 30.746,1097 3.439,1098 19.093,1099 21.271,1100 18.895,1101 39.094,1102 18.122,1103 26865,1104 49481,1105 29.126,1106 45.796,1107 68.868,1108 70.448,1109 69.496,1110 67.178,1111 66.932,1112 86.39,1113 23.419,1114 192.944,1115 65.042,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.271,1125 24.551,1126 1.53,1127 1.566,1128 1.544,1129 1.493,1130 1.487,1131 1.92,1132 0.52,1133 4.288,1134 1.445,1135 4.007,1136 4.042,1137 3.963,1138 3.906,1139 8.363,1140 3.909,1141 3.935,1142 3.967,1143 3.882,1144 3.855,1145 8.201,1146 3.855,1147 3.904,1148 3.937,1149 3.829,1150 3.842,1151 7.999,1152 3.834,1153 3.776,1154 3.809,1155 3.733,1156 3.607,1157 7.436,1158 3.634,1159 3.736,1160 3.764,1161 3.704,1162 3.548,1163 7.426,1164 3.583,1165 3.54,1166 3.586,1167 3.481,1168 3.296,1169 7.423,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.15,1175 7.411,1176 3.162,1177 3.166,1178 3.234,1179 3.049,1180 2.988,1181 5.076,1182 2.99,1183 0.103,1184 0.103,1185 0.17,1186 0.099,1187 0.078,1188 4.631,1189 0.087,1190 4.65,1191 0.078,1192 7.668,1193 0.3,1194 4.449,1195 0.073,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.93,1202 1.901,1203 2.057,1204 2.054,1205 1.245,1206 2.043,1207 1.916,1208 1.89,1209 2.04,1210 2.023,1211 1.151,1212 2.023,1213 1.91,1214 1.88,1215 2.005,1216 2,1217 1.099,1218 2.015,1219 1.696,1220 1.661,1221 1.809,1222 1.885,1223 0.941,1224 1.867,1225 1.632,1226 1.606,1227 1.739,1228 1.841,1229 0.86,1230 1.808,1231 1.423,1232 1.379,1233 1.591,1234 1.695,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.52,1240 1.528,1241 0.591,1242 1.526,1243 1.12,1244 1.068,1245 1.307,1246 1.357,1247 0.411,1248 1.348,1249 4.511,1251 5.838,1253 7.357,1255 8.961,1257 10.609,1261 44.171,1263 5.686,1265 -1.396,1266 4.29,1270 -1.847,1271 0.841,1272 -4.496,1273 45.438,1274 120.165,1275 256.39,1276 314.993,1277 362.296,1278 379.947,1279 385.947,1280 164.406,1281 7.81,1282 136.18,1283 136.18,1284 24,1285 12.873,1286 4.644,1287 4,1288 78.544,1289 203,1290 242,1291 0.176,1292 278.607,1293 514.19,1294 671.561,1295 27721,1296 4.4,1297 30.277,1298 0.721,1299 0.526,1300 27.614,1301 22.098,1302 20.057,1303 0.446,1304 0.283,1305 12.527,1306 19.181,1307 12.348,1308 10.176,1309 18.902,1310 12.749,1311 18.442,1312 0.293,1313 0.149,1314 16.615,1315 9.356,1316 15.285,1317 0.191,1318 0.079,1319 13.445,1320 6.283,1321 11.412,1322 0.119,1323 0.043,1324 10.712,1325 4.175,1326 9.086,1327 0.077,1328 0.023,1329 8.785,1330 2.732,1331 0.277,1332 127.158,1333 0.185,1334 37.147,1335 0.487,1336 216,1337 888.544,1338 248.57,1339 775.036,1340 999.78,1341 714,1342 251,1343 686.038,1344 284.067,1345 674.527,1346 995.58,1347 633,1348 6.514}
{0 CHEMBL284017,1 1.717,2 13.732,3 2.218,4 4.918,5 147.615,6 8.23,7 0.409,8 4.315,9 4.429,10 3.941,11 3.859,12 5.555,13 3.863,14 4.827,15 4.973,16 4.332,17 4.224,18 6.203,19 4.216,20 5.131,21 5.308,22 4.482,23 4.349,24 6.681,25 4.328,26 5.201,27 5.406,28 4.415,29 4.313,30 6.561,31 4.301,32 5.194,33 5.383,34 4.502,35 4.328,36 6.691,37 4.344,38 5.24,39 5.422,40 4.583,41 4.352,42 6.811,43 4.384,44 5.263,45 5.443,46 4.545,47 4.333,48 6.82,49 4.37,50 5.232,51 5.426,52 4.464,53 4.321,54 6.7,55 4.334,56 0.17,57 1.127,58 11.177,59 5.905,60 31.368,61 6.842,62 0.626,63 1.931,64 21.477,65 9.814,66 89.081,67 11.702,68 1.352,69 2.217,70 34.017,71 12.952,72 233.293,73 16.123,74 1.274,75 2.323,76 40.077,77 13.048,78 211.659,79 15.872,80 1.33,81 2.448,82 38.85,83 13.311,84 226.194,85 14.897,86 1.339,87 2.458,88 40.641,89 13.857,90 222.659,91 15.675,92 1.556,93 2.721,94 42.55,95 13.855,96 241.264,97 14.08,98 1.425,99 2.481,100 42.062,101 13.699,102 243.992,103 14.936,105 50,106 61,107 0.267,108 0.562,109 0.684,110 0.789,111 0.845,112 0.865,113 3.742,114 0.862,115 -3.78,116 -3.74,117 -3.56,120 44.1,122 1,126 2,128 1,131 1,137 1,138 1,140 15,141 3,151 1,153 4,158 1,159 1,160 1,165 19,167 2,168 2,171 2,173 2,176 20,181 1,182 5,184 3,185 5,187 3,190 11,194 2,195 8,198 1,200 4,203 1,206 3,207 12,210 3,211 1,212 6,217 1,219 1,220 13,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 15,234 1,236 7,239 2,242 2,244 3,245 11,248 1,250 7,253 6,256 2,258 10,260 1,261 1,263 4,266 12,268 1,270 3938,271 27.222,272 27.222,273 27.222,274 27.222,275 27.222,276 24.057,277 24.472,278 16.186,279 27.518,280 21.658,281 21.658,282 21.658,283 21.658,284 21.658,285 16.909,286 25.393,287 7.689,288 22.159,289 4.371,290 2.474,291 1.693,292 1.019,293 0.658,294 0.529,295 4.429,302 1,303 1196,304 5.148,307 644.654,313 2.08,314 81.383,317 0.75,318 0.5,319 0.67,320 0.5,322 0.67,323 0.5,324 0.51,325 91.5,326 563,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.894,333 3.524,334 13.509,335 3.271,336 4.448,337 3.823,338 6.747,339 4.123,340 3.168,341 3.814,342 1.973,343 10.959,344 3.025,345 3.97,346 3.597,347 5.987,348 3.675,349 2.693,350 3.455,351 1.905,352 8.341,353 2.635,354 3.948,355 3.441,356 5.937,357 3.571,358 2.575,359 3.439,360 1.274,361 8.122,362 2.561,363 3.894,364 3.033,365 5.36,366 3.511,367 2.518,368 3.411,369 1.251,370 6.988,371 2.5,372 3.723,373 2.908,374 5.304,375 3.384,376 2.387,377 2.921,378 0.78,379 6.722,380 2.372,381 3.468,382 2.717,383 5.22,384 3.135,385 2.127,386 2.644,387 0.532,388 6.152,389 2.136,390 3.317,391 2.661,392 4.917,393 2.843,394 1.862,395 2.549,396 0.315,397 5.14,398 1.815,399 3.087,400 2.146,401 4.585,402 2.639,403 1.674,404 2.143,405 0.155,406 4.291,407 1.605,408 2.974,409 2.142,410 4.333,411 2.562,412 1.591,413 2.104,415 4.003,416 1.535,417 2.903,418 1.984,419 3.76,420 2.465,421 1.459,422 2.059,424 3.121,425 1.466,426 2.712,427 1.646,428 3.603,429 2.328,430 1.349,431 1.719,433 3.014,434 1.301,435 2.674,436 1.578,437 3.569,438 2.174,439 1.193,440 1.681,442 2.759,443 1.165,444 2.5,445 1.491,446 3.498,447 2,448 1,449 1.5,451 2.136,452 1,453 2.5,454 1.268,455 3.247,456 2,457 1,458 1.5,460 2.136,461 1,462 18.905,463 0.461,464 1.095,465 0.027,466 53,467 1.293,468 27,469 0.659,470 26,471 0.634,472 36.662,473 0.894,474 44.095,475 0.648,476 54.568,477 1.331,478 11.303,479 0.276,480 8.36,481 0.204,482 0.122,483 0.026,484 0.286,486 2,490 0.626,491 1.062,492 0.697,493 0.995,494 0.59,495 0.887,496 0.606,497 1.095,498 0.807,499 1.118,500 0.617,501 1.044,502 0.635,503 0.98,504 0.878,505 1.094,506 0.715,507 1.076,508 1.161,509 1.005,510 1.036,511 0.943,512 1.179,513 0.945,514 1.37,515 1.185,516 1.061,517 0.986,518 1.347,519 0.933,520 1.306,521 1.167,522 0.917,523 0.98,524 1.307,525 0.869,526 1.852,527 1.335,528 1.252,529 1.014,530 1.857,531 0.964,532 1.598,533 1.154,534 1.155,535 0.902,536 1.614,537 0.895,538 8.5,539 0.413,540 5.333,541 3.063,542 2.498,543 1.937,544 1.384,545 0.96,546 0.748,547 0.624,548 26340,549 82001,550 2.015,551 39.7,553 20,554 1,556 4,558 2,560 1.813,561 1.871,562 3.69,563 1.435,569 116.749,570 1.717,571 3.613,572 4.394,573 5.069,574 5.429,575 5.558,576 3.184,577 4.949,578 5.328,579 3.899,580 3197.46,581 9.456,582 56227.8,587 413.947,588 1.557,589 5.274,590 0.193,591 0.006,592 0.087,593 0.046,594 0.04,595 0.028,596 0.019,597 0.014,598 0.012,599 0.01,600 0.456,601 0.17,602 0.75,603 0.566,604 231.635,605 -0.062,606 -0.043,607 0.009,608 0.024,609 -0.078,610 0.039,611 0.159,612 -0.025,613 0.007,614 -0.116,615 0.078,616 -0.108,617 0.326,618 0.006,619 0.056,620 -0.119,621 0.243,622 -0.125,623 -0.056,624 -0.016,625 -0.022,626 0.002,627 -0.079,628 0.001,629 -0.067,630 -0.005,631 -0.04,632 -0.019,633 -0.052,634 -0.014,635 -0.027,636 -0.142,637 0.106,638 -0.021,639 0.036,640 0.057,641 -0.248,642 -0.036,643 -0.18,644 -0.045,645 -0.214,646 -0.076,647 -0.212,648 -0.021,649 -0.099,650 0.059,651 -0.186,652 0.027,653 5.702,654 7.152,655 0.585,656 48.443,657 1.021,658 1.132,659 2.552,660 6.514,661 0.674,662 3.807,663 4.127,664 4.369,665 4.543,666 4.745,667 4.754,668 4.812,669 4.89,670 4.956,671 4.99,672 8.232,673 0.663,674 559.62,675 3.807,676 5.352,677 6.192,678 7.06,679 7.92,680 8.795,681 9.663,682 10.542,683 11.414,684 12.297,685 7.4,686 1,692 3,694 1,699 15,704 3,706 18,720 68,723 24,724 3,725 44,727 71,728 30,729 18,730 3,731 15,732 4,735 4,736 4,743 1,748 3,749 25,750 5,754 6,759 4,761 1,762 1,763 6,766 2,768 27,769 11,770 4,771 11,775 5,776 1,780 1,781 4,789 4,798 1,800 2,801 1,805 1,807 1,813 4,819 2,821 41,822 1,828 3,829 2,833 1,834 1,835 1,839 2,840 5.9,843 4,847 21.917,848 11.852,849 9.056,850 3.763,851 2.557,852 1.331,853 0.978,854 9.513,855 10.287,856 4.094,857 4.62,858 5.095,859 5.497,860 5.967,861 5.95,862 6.234,863 6.475,864 6.708,865 6.81,866 1,867 66,868 15.964,870 7.709,871 8.234,872 27.763,874 22.458,877 2.734,878 112.083,882 270.735,883 193.65,884 88.829,886 100.58,887 29.92,889 193.65,890 371.315,891 118.749,893 87.836,894 142.144,895 124.912,896 58.087,897 11.771,898 258.964,900 270.735,901 282.478,902 130.5,905 247.193,906 154.042,908 1.824,909 95.574,910 182.323,911 2.757,913 300.656,914 189.408,915 193.65,918 272.559,919 40.635,920 154.315,921 36.022,922 180.183,923 270.735,924 219.328,925 193.65,927 0.583,928 0.342,929 0.171,930 0.094,931 26,932 13,933 0.155,934 11,936 1,937 4.85,938 407.928,940 24,941 203.66,945 29.476,946 13.232,947 7.372,949 219.328,950 25.069,955 1.545,957 68.919,958 683.714,959 59,964 51.487,966 1.162,967 4.17,968 -5.326,969 69.447,970 76.991,971 0.282,972 0.594,973 0.722,974 0.833,975 0.892,976 0.913,977 5.335,978 1.862,979 6.196,980 6.152,981 4.812,982 5.308,983 3.694,984 7.031,985 4.762,986 6.538,987 1.674,988 7.784,989 5.14,990 4.511,991 5.007,992 3.758,993 8.199,994 4.381,995 7.842,996 1.591,997 9.493,998 4.291,999 6.46,1000 7.374,1001 5.396,1002 11.288,1003 6.329,1004 9.182,1005 1.459,1006 11.28,1007 4.003,1008 7.013,1009 7.837,1010 6.325,1011 13.351,1012 6.78,1013 10.555,1014 1.349,1015 13.121,1016 3.121,1017 8.466,1018 9.704,1019 7.653,1020 16.058,1021 8.213,1022 11.953,1023 1.193,1024 15.002,1025 3.014,1026 9.397,1027 10.525,1028 8.832,1029 18.452,1030 9.037,1031 13.371,1032 1,1033 16.913,1034 2.759,1035 10.683,1036 12.168,1037 10.102,1038 21.065,1039 10.28,1040 3.517,1041 1,1042 18.847,1043 2.136,1044 11.783,1045 13.184,1046 11.342,1047 23.581,1048 11.28,1049 3.168,1050 13.509,1051 20.801,1052 2.136,1053 13.018,1054 14.705,1055 12.603,1056 26.174,1057 12.455,1058 2.693,1059 10.959,1060 22.769,1061 3.894,1062 14.193,1063 15.838,1064 13.858,1065 28.736,1066 13.537,1067 2.575,1068 8.341,1069 24.75,1070 3.814,1071 15.42,1072 17.287,1073 15.118,1074 31.327,1075 14.692,1076 2.518,1077 8.122,1078 26.74,1079 3.455,1080 16.628,1081 18.494,1082 16.376,1083 33.909,1084 15.814,1085 2.387,1086 6.988,1087 28.738,1088 3.439,1089 17.858,1090 19.899,1091 17.635,1092 36.502,1093 16.967,1094 2.127,1095 6.722,1096 30.743,1097 3.411,1098 19.083,1099 21.154,1100 18.895,1101 39.093,1102 18.111,1103 25286,1104 44854,1105 28.72,1106 45.858,1107 67.181,1108 68.447,1109 67.381,1110 65.434,1111 65.274,1112 84.556,1113 23.419,1114 186.599,1115 63.773,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.894,1122 5.246,1123 21.66,1124 5.271,1125 22.381,1126 1.527,1127 1.556,1128 1.531,1129 1.487,1130 1.484,1131 1.922,1132 0.532,1133 4.241,1134 1.449,1135 4.004,1136 4.04,1137 3.954,1138 3.906,1139 8.363,1140 3.907,1141 3.932,1142 3.965,1143 3.877,1144 3.855,1145 7.999,1146 3.853,1147 3.904,1148 3.937,1149 3.829,1150 3.842,1151 7.436,1152 3.834,1153 3.772,1154 3.805,1155 3.73,1156 3.607,1157 7.426,1158 3.633,1159 3.733,1160 3.762,1161 3.686,1162 3.548,1163 7.423,1164 3.582,1165 3.54,1166 3.586,1167 3.481,1168 3.296,1169 7.411,1170 3.335,1171 3.347,1172 3.401,1173 3.248,1174 3.15,1175 5.078,1176 3.162,1177 3.166,1178 3.234,1179 3.045,1180 2.988,1181 4.799,1182 2.99,1183 0.105,1184 0.106,1185 0.174,1186 0.101,1187 0.08,1188 4.631,1189 0.088,1190 4.65,1191 0.08,1192 7.668,1193 0.307,1194 4.449,1195 0.074,1196 3.517,1197 3.894,1198 3.524,1199 13.509,1200 3.271,1201 1.931,1202 1.902,1203 2.057,1204 2.053,1205 1.245,1206 2.045,1207 1.922,1208 1.893,1209 2.04,1210 2.023,1211 1.151,1212 2.027,1213 1.91,1214 1.88,1215 2.029,1216 2,1217 1.108,1218 2.015,1219 1.698,1220 1.662,1221 1.814,1222 1.884,1223 0.943,1224 1.871,1225 1.633,1226 1.606,1227 1.741,1228 1.841,1229 0.863,1230 1.809,1231 1.423,1232 1.379,1233 1.591,1234 1.695,1235 0.699,1236 1.661,1237 1.293,1238 1.239,1239 1.52,1240 1.528,1241 0.593,1242 1.526,1243 1.12,1244 1.068,1245 1.307,1246 1.357,1247 0.411,1248 1.348,1249 4.489,1251 5.808,1253 7.324,1255 8.926,1257 10.572,1261 30.303,1263 5.731,1265 -1.195,1266 4.378,1270 -1.785,1271 0.995,1272 -4.452,1273 45.054,1274 116.749,1275 245.693,1276 298.815,1277 344.663,1278 369.193,1279 377.947,1280 144.508,1281 7.73,1282 136.18,1283 136.18,1284 24,1285 12.833,1286 4.644,1287 4,1288 75.598,1289 194,1290 233,1291 0.177,1292 277.409,1293 508.12,1294 668.638,1295 24986,1296 2.9,1297 29.407,1298 0.717,1299 0.532,1300 27.614,1301 21.797,1302 19.663,1303 0.447,1304 0.287,1305 12.453,1306 18.906,1307 12.254,1308 10.127,1309 18.902,1310 12.649,1311 17.808,1312 0.292,1313 0.151,1314 16.615,1315 9.211,1316 14.957,1317 0.192,1318 0.08,1319 13.445,1320 6.232,1321 11.104,1322 0.119,1323 0.044,1324 10.712,1325 4.134,1326 8.884,1327 0.078,1328 0.024,1329 8.785,1330 2.719,1331 0.277,1332 123.928,1333 0.187,1334 36.46,1335 0.488,1336 210,1337 794.433,1338 238.739,1339 712.878,1340 928.41,1341 658,1342 244,1343 642.705,1344 274.156,1345 637.88,1346 942.03,1347 599,1348 6.752}
{0 CHEMBL284138,1 1.768,2 14.636,3 2.301,4 5.296,5 154.58,6 8.502,7 0.383,8 4.367,9 4.472,10 4.011,11 3.894,12 5.658,13 3.911,14 4.868,15 5.004,16 4.423,17 4.264,18 6.331,19 4.272,20 5.168,21 5.326,22 4.575,23 4.407,24 6.765,25 4.405,26 5.274,27 5.47,28 4.517,29 4.389,30 6.682,31 4.389,32 5.25,33 5.424,34 4.59,35 4.384,36 6.779,37 4.409,38 5.3,39 5.487,40 4.648,41 4.397,42 6.879,43 4.437,44 5.297,45 5.463,46 4.593,47 4.402,48 6.839,49 4.435,50 5.311,51 5.501,52 4.568,53 4.398,54 6.824,55 4.412,56 0.271,57 1.162,58 10.961,59 6.144,60 48.334,61 6.7,62 0.806,63 1.982,64 21.098,65 10.205,66 130.682,67 11.775,68 1.485,69 2.305,70 32.413,71 13.132,72 251.709,73 15.47,74 1.544,75 2.441,76 41.867,77 14.083,78 252.893,79 16.613,80 1.52,81 2.531,82 38.896,83 14.086,84 264.934,85 15.494,86 1.755,87 2.672,88 42.972,89 14.233,90 284.251,91 15.702,92 1.755,93 2.735,94 40.925,95 14.34,96 292.477,97 14.288,98 1.758,99 2.535,100 44.166,101 14.684,102 325.14,103 16.664,105 102,106 67,107 0.272,108 0.615,109 0.769,110 0.86,111 0.885,112 0.885,113 3.81,114 0.842,115 -3.53,116 -3.5,117 -3.34,120 43.7,121 1,122 1,126 1,128 1,131 1,137 1,138 1,140 13,141 4,142 1,151 1,153 5,158 1,159 1,160 1,162 1,164 1,165 18,166 1,167 2,168 3,171 3,173 4,176 20,177 2,181 1,182 7,184 3,185 5,187 5,190 12,191 2,194 2,195 11,198 1,200 5,203 2,206 3,207 14,210 3,211 1,212 5,213 1,217 1,219 1,220 13,222 1,223 2,224 2,225 6,226 1,229 2,230 1,231 15,232 1,234 1,236 8,239 3,242 2,244 4,245 11,248 2,250 9,253 7,256 3,258 10,259 1,260 1,261 1,263 3,266 13,268 1,270 4774,271 28.617,272 28.617,273 28.617,274 28.617,275 28.617,276 25.311,277 28.949,278 16.585,279 28.92,280 23.092,281 23.092,282 23.092,283 23.092,284 23.092,285 18.031,286 29.519,287 7.84,288 23.614,289 4.381,290 2.155,291 1.16,292 0.567,293 0.405,294 0.405,295 4.493,303 1358,304 5.431,307 693.667,313 2.244,314 96.849,317 0.5,318 0.5,319 0.5,320 0.4,322 0.33,324 0.32,325 99.5,326 644,327 4.635,328 4.651,329 7.669,330 4.452,331 3.52,332 3.937,333 3.524,334 13.519,335 3.274,336 4.457,337 3.824,338 6.75,339 4.13,340 3.173,341 3.842,342 1.973,343 10.975,344 3.034,345 4.165,346 3.599,347 6,348 3.785,349 2.789,350 3.732,351 1.904,352 8.397,353 2.77,354 4.042,355 3.576,356 5.959,357 3.678,358 2.693,359 3.518,360 1.437,361 8.248,362 2.649,363 3.948,364 3.445,365 5.926,366 3.643,367 2.646,368 3.451,369 1.269,370 8.203,371 2.624,372 3.756,373 3.054,374 5.403,375 3.401,376 2.407,377 3.063,378 1.25,379 7.001,380 2.388,381 3.679,382 2.917,383 5.29,384 3.331,385 2.35,386 2.926,387 0.78,388 6.691,389 2.296,390 3.587,391 2.686,392 5.238,393 3.193,394 2.21,395 2.865,396 0.316,397 6.324,398 2.167,399 3.403,400 2.544,401 5.027,402 3.059,403 2.052,404 2.555,405 0.159,406 5.809,407 2.054,408 3.095,409 2.52,410 4.783,411 2.661,412 1.689,413 2.143,414 0.084,415 4.806,416 1.628,417 2.94,418 2.142,419 4.516,420 2.522,421 1.518,422 2.082,424 3.927,425 1.513,426 2.915,427 1.988,428 4.21,429 2.389,430 1.414,431 2.01,433 3.658,434 1.372,435 2.793,436 1.886,437 3.809,438 2.352,439 1.37,440 1.808,442 3.059,443 1.324,444 2.639,445 1.849,446 3.649,447 2.177,448 1.168,449 1.642,451 2.838,452 1.157,453 2.608,454 1.491,455 3.507,456 2.117,457 1.125,458 1.575,460 2.542,461 1.113,462 20.071,463 0.456,464 1.397,465 0.032,466 57,467 1.295,468 29,469 0.659,470 28,471 0.636,472 40.892,473 0.929,474 47.729,475 0.672,476 61.797,477 1.404,478 12.072,479 0.274,480 8.789,481 0.2,482 0.173,483 0.025,484 0.344,486 2,490 0.673,491 1.056,492 0.689,493 0.981,494 0.637,495 0.866,496 0.552,497 1.096,498 0.715,499 1.086,500 0.569,501 0.99,502 0.668,503 1.008,504 0.902,505 1.124,506 0.718,507 1.108,508 1.091,509 0.992,510 1.017,511 0.956,512 1.086,513 0.954,514 1.21,515 1.242,516 1.008,517 1.058,518 1.204,519 0.985,520 1.265,521 1.185,522 0.955,523 0.906,524 1.222,525 0.832,526 1.598,527 1.308,528 1.274,529 1.089,530 1.615,531 1.066,532 1.208,533 1.084,534 1.024,535 0.923,536 1.233,537 0.909,538 11,539 0.43,540 6.222,541 3.688,542 3.12,543 2.257,544 1.506,545 1.087,546 0.916,547 0.696,548 31447,549 108379,550 1.975,551 38,552 3,553 16,554 1,556 5,558 2,560 1.829,561 1.802,562 3.785,563 2.133,569 125.551,570 1.768,571 3.995,572 4.99,573 5.583,574 5.745,575 5.745,576 3.264,577 5.079,578 5.429,579 4.005,580 3788.31,581 9.655,582 69989.4,587 436.632,588 1.659,589 5.357,590 0.234,591 0.006,592 0.093,593 0.051,594 0.045,595 0.03,596 0.019,597 0.015,598 0.013,599 0.009,600 0.515,601 0.17,602 0.63,603 0.734,604 254.177,605 -0.084,606 -0.029,607 -0.007,608 0.047,609 -0.095,610 0.053,611 0.187,612 -0.02,613 0.078,614 -0.069,615 0.121,616 -0.048,617 0.236,618 0.009,619 -0.008,620 -0.144,621 0.181,622 -0.167,623 -0.076,624 -0.009,625 -0.015,626 0.002,627 -0.077,628 0.014,629 -0.069,630 -0.127,631 -0.018,632 -0.082,633 -0.054,634 -0.045,635 -0.06,636 -0.042,637 0.075,638 0.053,639 -0.006,640 0.101,641 -0.253,642 -0.044,643 -0.262,644 -0.109,645 -0.24,646 -0.164,647 -0.083,648 -0.073,649 0.004,650 0.037,651 -0.067,652 0.049,653 5.861,654 7.286,655 0.545,656 55.432,657 1.03,658 1.133,659 2.299,660 5.284,661 0.673,662 3.871,663 4.22,664 4.454,665 4.635,666 4.852,667 4.898,668 4.949,669 5.05,670 5.112,671 5.106,672 8.74,673 0.669,674 603.63,675 3.871,676 5.434,677 6.279,678 7.157,679 8.021,680 8.903,681 9.775,682 10.659,683 11.535,684 12.422,685 7,686 1,692 3,694 1,699 13,704 5,706 18,711 1,720 71,723 25,724 3,725 47,727 74,728 31,729 18,730 5,731 13,732 5,735 4,736 4,741 1,743 1,748 3,749 26,750 5,754 7,759 5,761 1,762 1,763 7,766 2,768 27,769 13,770 5,771 13,775 5,776 1,780 1,781 6,789 4,798 1,800 2,801 1,805 1,807 1,811 1,813 4,817 1,819 2,821 44,822 1,827 1,828 2,829 2,833 1,834 1,835 1,839 2,840 8.5,842 1,843 5,847 24.417,848 12.802,849 9.583,850 3.869,851 2.704,852 1.34,853 0.959,854 9.92,855 10.649,856 4.159,857 4.714,858 5.194,859 5.621,860 6.11,861 6.207,862 6.468,863 6.691,864 6.881,865 6.972,866 0.9,867 73,868 17.2,870 8.46,871 8.377,872 29.35,874 23.747,877 2.877,878 126.583,882 258.964,883 188.269,884 88.829,886 168.408,887 29.92,889 188.269,890 427.372,891 118.749,892 8.825,893 85.731,894 123.191,895 193.65,896 64.029,897 11.771,898 247.193,900 258.964,901 277.098,902 198.328,905 235.422,906 221.87,908 1.824,909 102.294,910 170.223,911 2.757,913 288.884,914 257.237,915 188.269,918 260.788,919 45.381,920 144.188,921 36.022,922 248.011,923 258.964,924 287.157,925 188.269,927 0.593,928 0.345,929 0.168,930 0.093,931 29,932 16,933 0.149,934 11,936 1,937 4.978,938 452.363,940 24,941 224.215,945 32.052,946 13.618,947 7.758,949 287.157,950 19.281,955 1.433,957 111.602,958 734.39,959 63,964 62.913,966 1.143,967 4.188,968 -7.037,969 73.101,970 80.41,971 0.288,972 0.65,973 0.811,974 0.908,975 0.934,976 0.934,977 5.418,978 2.21,979 6.304,980 6.691,981 4.905,982 5.403,983 3.779,984 7.151,985 4.858,986 6.642,987 2.052,988 7.904,989 6.324,990 4.691,991 5.239,992 3.758,993 8.308,994 4.576,995 7.961,996 1.689,997 9.617,998 5.809,999 6.572,1000 7.505,1001 5.432,1002 11.382,1003 6.45,1004 9.312,1005 1.518,1006 11.399,1007 4.806,1008 7.155,1009 8.07,1010 6.325,1011 13.41,1012 6.946,1013 10.692,1014 1.414,1015 13.231,1016 3.927,1017 8.575,1018 9.868,1019 7.661,1020 16.11,1021 8.342,1022 12.094,1023 1.37,1024 15.1,1025 3.658,1026 9.508,1027 10.767,1028 8.832,1029 18.484,1030 9.182,1031 13.513,1032 1.168,1033 16.998,1034 3.059,1035 10.775,1036 12.362,1037 10.104,1038 21.092,1039 10.405,1040 3.52,1041 1.125,1042 18.92,1043 2.838,1044 11.868,1045 13.438,1046 11.342,1047 23.6,1048 11.405,1049 3.173,1050 13.519,1051 20.862,1052 2.542,1053 13.091,1054 14.928,1055 12.603,1056 26.19,1057 12.567,1058 2.789,1059 10.975,1060 22.82,1061 3.937,1062 14.258,1063 16.106,1064 13.858,1065 28.749,1066 13.644,1067 2.693,1068 8.397,1069 24.792,1070 3.842,1071 15.476,1072 17.536,1073 15.118,1074 31.339,1075 14.79,1076 2.646,1077 8.248,1078 26.774,1079 3.732,1080 16.678,1081 18.778,1082 16.376,1083 33.921,1084 15.906,1085 2.407,1086 8.203,1087 28.767,1088 3.518,1089 17.902,1090 20.173,1091 17.635,1092 36.514,1093 17.052,1094 2.35,1095 7.001,1096 30.766,1097 3.451,1098 19.123,1099 21.453,1100 18.895,1101 39.105,1102 18.19,1103 30484,1104 56873,1105 29.937,1106 47.767,1107 72.519,1108 74.377,1109 73.799,1110 70.582,1111 70.427,1112 91.127,1113 25.392,1114 206.394,1115 68.862,1116 5.608,1117 6.651,1118 7.471,1119 5.522,1120 5.52,1121 6.937,1122 5.246,1123 21.701,1124 5.274,1125 28.896,1126 1.543,1127 1.582,1128 1.57,1129 1.502,1130 1.498,1131 1.939,1132 0.54,1133 4.391,1134 1.465,1135 4.016,1136 4.05,1137 3.969,1138 3.921,1139 8.363,1140 3.924,1141 3.945,1142 3.974,1143 3.9,1144 3.868,1145 7.999,1146 3.867,1147 3.913,1148 3.941,1149 3.848,1150 3.845,1151 7.475,1152 3.843,1153 3.781,1154 3.818,1155 3.73,1156 3.615,1157 7.436,1158 3.642,1159 3.732,1160 3.756,1161 3.701,1162 3.545,1163 7.426,1164 3.58,1165 3.528,1166 3.564,1167 3.477,1168 3.28,1169 7.423,1170 3.323,1171 3.346,1172 3.38,1173 3.288,1174 3.136,1175 7.412,1176 3.158,1177 3.237,1178 3.274,1179 3.157,1180 3.052,1181 6.351,1182 3.045,1183 0.099,1184 0.099,1185 0.163,1186 0.095,1187 0.075,1188 4.635,1189 0.084,1190 4.651,1191 0.075,1192 7.669,1193 0.288,1194 4.452,1195 0.07,1196 3.52,1197 3.937,1198 3.524,1199 13.519,1200 3.274,1201 1.945,1202 1.918,1203 2.058,1204 2.06,1205 1.244,1206 2.052,1207 1.928,1208 1.899,1209 2.05,1210 2.029,1211 1.161,1212 2.033,1213 1.904,1214 1.881,1215 2.002,1216 2.002,1217 1.087,1218 2.005,1219 1.708,1220 1.67,1221 1.821,1222 1.897,1223 0.951,1224 1.884,1225 1.629,1226 1.603,1227 1.741,1228 1.836,1229 0.876,1230 1.803,1231 1.393,1232 1.361,1233 1.537,1234 1.672,1235 0.63,1236 1.62,1237 1.265,1238 1.221,1239 1.534,1240 1.508,1241 0.568,1242 1.494,1243 1.213,1244 1.142,1245 1.434,1246 1.421,1247 0.474,1248 1.462,1249 4.554,1251 5.894,1253 7.422,1255 9.033,1257 10.686,1259 1.817,1261 30.571,1263 5.747,1264 9.005,1265 -1.108,1266 4.155,1270 -1.882,1271 0.967,1272 -4.611,1273 47.484,1274 125.551,1275 283.614,1276 354.262,1277 396.367,1278 407.877,1279 407.877,1280 176.897,1281 7.946,1282 173.48,1283 173.48,1284 24,1285 12.955,1286 4.7,1287 4.087,1288 84.66,1289 221,1290 270,1291 0.174,1292 292.066,1293 540.36,1294 704.402,1295 32791,1296 2.8,1297 32.018,1298 0.728,1299 0.529,1300 30.225,1301 23.291,1302 20.861,1303 0.444,1304 0.281,1305 12.969,1306 19.965,1307 12.721,1308 10.518,1309 20.1,1310 13.191,1311 19.621,1312 0.293,1313 0.148,1314 18.428,1315 9.883,1316 16.073,1317 0.189,1318 0.077,1319 14.55,1320 6.57,1321 11.973,1322 0.117,1323 0.043,1324 11.661,1325 4.348,1326 9.549,1327 0.075,1328 0.022,1329 9.293,1330 2.857,1331 0.274,1332 132.228,1333 0.183,1334 38.565,1335 0.478,1336 228,1337 902.318,1338 261.501,1339 812.146,1340 1050.85,1341 746,1342 266,1343 725.935,1344 299.645,1345 720.992,1346 1062.9,1347 675,1348 6.55}
{0 CHEMBL284495,1 1.739,2 13.833,3 1.553,4 2.412,5 150.5,6 8.209,7 0.4,8 4.345,9 4.462,10 3.968,11 3.872,12 5.585,13 3.879,14 4.861,15 5.016,16 4.362,17 4.239,18 6.227,19 4.235,20 5.147,21 5.318,22 4.512,23 4.375,24 6.7,25 4.357,26 5.249,27 5.462,28 4.445,29 4.353,30 6.589,31 4.337,32 5.222,33 5.408,34 4.533,35 4.361,36 6.71,37 4.374,38 5.282,39 5.47,40 4.62,41 4.386,42 6.837,43 4.419,44 5.3,45 5.477,46 4.592,47 4.39,48 6.856,49 4.419,50 5.306,51 5.509,52 4.512,53 4.373,54 6.751,55 4.378,56 0.183,57 1.179,58 11.639,59 5.984,60 31.067,61 7.044,62 0.676,63 1.994,64 22.968,65 9.889,66 95.735,67 12.049,68 1.357,69 2.265,70 33.837,71 12.928,72 229.565,73 16.115,74 1.366,75 2.392,76 42.723,77 13.53,78 218.742,79 16.897,80 1.337,81 2.501,82 39.486,83 13.646,84 225.01,85 15.534,86 1.469,87 2.545,88 42.875,89 13.814,90 232.941,91 16.019,92 1.635,93 2.819,94 43.25,95 14.242,96 241.022,97 15.045,98 1.519,99 2.539,100 46.102,101 14.675,102 255.839,103 17.041,105 65,106 63,107 0.269,108 0.605,109 0.775,110 0.872,111 0.899,112 0.899,113 3.765,114 0.861,115 -3.05,116 -3.05,117 -2.94,120 42.9,121 1,122 1,126 2,128 1,131 1,137 1,138 1,140 11,141 4,143 2,151 1,153 4,158 1,159 1,160 1,165 16,167 2,168 4,171 2,173 2,176 17,181 1,182 6,184 3,185 5,187 2,190 10,194 2,195 8,198 2,200 3,203 2,206 3,207 13,210 3,211 1,212 5,217 1,219 2,220 12,222 1,223 1,224 1,225 6,226 1,229 2,230 1,231 14,234 1,236 7,239 2,242 2,244 4,245 11,248 1,250 8,253 5,256 3,258 10,260 1,261 2,263 3,266 10,268 1,270 4152,271 27.669,272 27.669,273 27.669,274 27.669,275 27.669,276 24.48,277 26.897,278 16.309,279 28.03,280 22.141,281 22.141,282 22.141,283 22.141,284 22.141,285 17.32,286 26.863,287 7.745,288 22.737,289 4.39,290 2.219,291 1.126,292 0.496,293 0.325,294 0.325,295 4.451,302 1,303 1231,304 5.196,307 659.806,313 2.127,314 83.65,317 0.75,318 0.5,319 0.67,320 0.5,321 0.5,322 0.5,324 0.49,325 94,326 581,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.271,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.814,342 1.973,343 10.975,344 3.034,345 4.042,346 3.597,347 5.988,348 3.68,349 2.697,350 3.518,351 1.905,352 8.352,353 2.65,354 3.949,355 3.441,356 5.958,357 3.643,358 2.646,359 3.455,360 1.274,361 8.231,362 2.625,363 3.894,364 3.054,365 5.361,366 3.502,367 2.518,368 3.439,369 1.251,370 6.988,371 2.477,372 3.725,373 2.908,374 5.306,375 3.385,376 2.387,377 2.938,378 0.78,379 6.729,380 2.372,381 3.594,382 2.717,383 5.271,384 3.204,385 2.217,386 2.878,387 0.532,388 6.355,389 2.185,390 3.446,391 2.661,392 5.047,393 3.098,394 2.084,395 2.598,396 0.315,397 5.851,398 2.102,399 3.1,400 2.544,401 4.807,402 2.687,403 1.727,404 2.158,405 0.155,406 4.861,407 1.646,408 2.974,409 2.142,410 4.558,411 2.591,412 1.625,413 2.112,415 4.234,416 1.559,417 2.915,418 1.988,419 4.21,420 2.446,421 1.459,422 2.059,424 3.659,425 1.434,426 2.903,427 1.849,428 3.76,429 2.389,430 1.414,431 2.01,433 3.121,434 1.372,435 2.708,436 1.646,437 3.603,438 2.319,439 1.348,440 1.695,442 3.014,443 1.292,444 2.61,445 1.491,446 3.512,447 2.118,448 1.126,449 1.637,451 2.542,452 1.114,453 2.5,454 1.475,455 3.477,456 2,457 1,458 1.5,460 2.136,461 1,462 19.305,463 0.46,464 1.201,465 0.029,466 54,467 1.286,468 27,469 0.643,470 27,471 0.643,472 39.082,473 0.931,474 45.495,475 0.65,476 56.023,477 1.334,478 11.424,479 0.272,480 8.632,481 0.206,482 0.145,483 0.026,484 0.306,486 2,490 0.636,491 1.121,492 0.699,493 1.034,494 0.592,495 0.909,496 0.625,497 1.076,498 0.775,499 1.063,500 0.615,501 0.981,502 0.652,503 1.026,504 0.909,505 1.149,506 0.731,507 1.125,508 1.129,509 0.948,510 1.017,511 0.911,512 1.152,513 0.921,514 1.337,515 1.238,516 1.056,517 1.058,518 1.336,519 0.988,520 1.301,521 1.113,522 0.917,523 0.916,524 1.288,525 0.825,526 1.721,527 1.297,528 1.244,529 1.089,530 1.77,531 1.039,532 1.442,533 1.101,534 1.064,535 0.911,536 1.501,537 0.888,538 9.5,539 0.43,540 5.556,541 3.25,542 2.689,543 2.049,544 1.446,545 1.082,546 0.748,547 0.644,548 27905,549 87860,550 2.001,551 40,552 3,553 16,554 1,555 2,556 4,558 2,560 1.819,561 1.846,562 3.709,563 1.438,569 121.727,570 1.739,571 3.91,572 5.003,573 5.633,574 5.804,575 5.804,576 3.204,577 5.011,578 5.363,579 3.924,580 3378.73,581 9.526,582 60386.3,587 429.05,588 1.6,589 5.302,590 0.211,591 0.006,592 0.088,593 0.048,594 0.042,595 0.029,596 0.019,597 0.015,598 0.011,599 0.01,600 0.479,601 0.17,602 0.63,603 0.584,604 238.966,605 -0.065,606 -0.078,607 0.012,608 0.003,609 -0.077,610 0.029,611 0.146,613 0.053,614 -0.053,615 0.084,616 -0.035,617 0.308,618 -0.02,619 0.007,620 -0.162,621 0.232,622 -0.177,623 -0.048,624 0.026,625 -0.002,626 0.04,627 -0.072,628 0.036,629 -0.061,630 -0.065,631 -0.051,632 -0.075,633 -0.049,634 -0.058,635 -0.033,636 -0.089,637 0.106,638 0.037,639 0.04,640 0.098,641 -0.179,642 -0.004,643 -0.198,644 -0.106,645 -0.175,646 -0.144,647 -0.148,648 -0.069,649 -0.01,650 0.055,651 -0.135,652 0.06,653 5.725,654 7.174,655 0.571,656 50.177,657 1.022,658 1.136,659 1.821,660 3.318,661 0.669,662 3.829,663 4.159,664 4.394,665 4.575,666 4.779,667 4.804,668 4.86,669 4.956,670 5.011,671 5.05,672 8.361,673 0.658,674 574.64,675 3.829,676 5.38,677 6.221,678 7.093,679 7.953,680 8.83,681 9.698,682 10.58,683 11.453,684 12.338,685 8.6,686 1,692 3,694 1,695 1,699 13,700 1,704 4,706 18,720 70,723 24,724 2,725 45,727 73,728 30,729 17,730 3,731 9,732 4,735 4,736 4,741 1,743 1,748 3,749 24,750 6,754 6,759 4,761 1,762 1,763 6,766 2,768 28,769 12,770 4,771 12,775 6,776 1,780 1,781 4,785 1,789 4,798 1,800 2,801 1,805 1,807 1,813 4,817 1,819 2,821 42,822 1,828 3,829 2,833 1,834 1,835 1,839 2,840 5.7,843 4,847 22.75,848 12.636,849 9.222,850 3.869,851 2.603,852 1.333,853 0.973,854 9.691,855 10.413,856 4.111,857 4.649,858 5.122,859 5.533,860 6.009,861 6.024,862 6.297,863 6.551,864 6.795,865 6.899,866 1,867 68,868 16.345,870 7.877,871 8.232,872 28.408,874 22.918,877 2.732,878 114.75,882 282.506,883 185.851,884 105.614,886 100.58,887 29.92,889 185.851,890 383.086,891 135.534,892 8.825,893 87.836,894 104.239,895 165.24,896 79.367,897 11.771,898 247.193,900 282.506,901 291.465,902 130.5,905 258.964,906 154.042,908 1.824,909 122.495,910 147.604,911 19.542,913 312.427,914 206.194,915 185.851,918 284.331,919 43.82,920 143.331,921 36.022,922 196.968,923 282.506,924 236.114,925 185.851,927 0.586,928 0.341,929 0.17,930 0.093,931 27,932 14,933 0.151,934 11,936 1,937 4.891,938 422.809,940 24,941 218.477,945 30.389,946 13.394,947 7.595,949 236.114,950 21.199,951 3.854,955 2.306,957 68.919,958 704.471,959 60,964 51.66,966 1.167,967 4.207,968 -5.379,969 71.549,970 79.489,971 0.284,972 0.638,973 0.816,974 0.919,975 0.947,976 0.947,977 5.359,978 2.084,979 6.232,980 6.355,981 4.844,982 5.338,983 3.694,984 7.069,985 4.789,986 6.569,987 1.727,988 7.823,989 5.851,990 4.575,991 5.094,992 3.758,993 8.228,994 4.454,995 7.879,996 1.625,997 9.531,998 4.861,999 6.497,1000 7.418,1001 5.396,1002 11.313,1003 6.362,1004 9.222,1005 1.459,1006 11.314,1007 4.234,1008 7.057,1009 7.92,1010 6.325,1011 13.363,1012 6.834,1013 10.597,1014 1.414,1015 13.15,1016 3.659,1017 8.498,1018 9.759,1019 7.653,1020 16.07,1021 8.246,1022 11.996,1023 1.348,1024 15.025,1025 3.121,1026 9.428,1027 10.61,1028 8.832,1029 18.458,1030 9.079,1031 13.413,1032 1.126,1033 16.932,1034 3.014,1035 10.707,1036 12.234,1037 10.102,1038 21.071,1039 10.311,1040 3.517,1041 1,1042 18.862,1043 2.542,1044 11.805,1045 13.274,1046 11.342,1047 23.585,1048 11.313,1049 3.173,1050 13.509,1051 20.812,1052 2.136,1053 13.037,1054 14.783,1055 12.603,1056 26.177,1057 12.481,1058 2.697,1059 10.975,1060 22.778,1061 3.937,1062 14.209,1063 15.936,1064 13.858,1065 28.738,1066 13.564,1067 2.646,1068 8.352,1069 24.757,1070 3.814,1071 15.433,1072 17.378,1073 15.118,1074 31.329,1075 14.716,1076 2.518,1077 8.231,1078 26.745,1079 3.518,1080 16.64,1081 18.601,1082 16.376,1083 33.91,1084 15.837,1085 2.387,1086 6.988,1087 28.743,1088 3.455,1089 17.868,1090 20.004,1091 17.635,1092 36.503,1093 16.988,1094 2.217,1095 6.729,1096 30.746,1097 3.439,1098 19.093,1099 21.271,1100 18.895,1101 39.094,1102 18.131,1103 26865,1104 47929,1105 29.126,1106 46.864,1107 68.868,1108 70.398,1109 69.496,1110 67.059,1111 66.932,1112 86.39,1113 23.419,1114 192.944,1115 65.166,1116 5.605,1117 6.65,1118 7.47,1119 5.519,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.271,1125 24.551,1126 1.53,1127 1.564,1128 1.544,1129 1.49,1130 1.487,1131 1.92,1132 0.52,1133 4.288,1134 1.448,1135 4.011,1136 4.046,1137 3.962,1138 3.916,1139 8.363,1140 3.918,1141 3.935,1142 3.967,1143 3.879,1144 3.864,1145 7.999,1146 3.859,1147 3.883,1148 3.925,1149 3.816,1150 3.778,1151 7.436,1152 3.783,1153 3.782,1154 3.818,1155 3.731,1156 3.616,1157 7.426,1158 3.642,1159 3.738,1160 3.765,1161 3.703,1162 3.549,1163 7.423,1164 3.583,1165 3.538,1166 3.583,1167 3.48,1168 3.291,1169 7.411,1170 3.331,1171 3.343,1172 3.398,1173 3.245,1174 3.143,1175 5.078,1176 3.156,1177 3.198,1178 3.274,1179 3.067,1180 3.052,1181 4.898,1182 3.04,1183 0.103,1184 0.103,1185 0.17,1186 0.099,1187 0.078,1188 4.631,1189 0.087,1190 4.65,1191 0.078,1192 7.668,1193 0.3,1194 4.449,1195 0.073,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.271,1201 1.945,1202 1.918,1203 2.058,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.025,1211 1.161,1212 2.032,1213 1.854,1214 1.815,1215 1.978,1216 1.989,1217 1.082,1218 1.99,1219 1.708,1220 1.67,1221 1.822,1222 1.897,1223 0.951,1224 1.884,1225 1.633,1226 1.607,1227 1.744,1228 1.844,1229 0.876,1230 1.81,1231 1.415,1232 1.373,1233 1.572,1234 1.693,1235 0.634,1236 1.654,1237 1.287,1238 1.232,1239 1.536,1240 1.525,1241 0.628,1242 1.523,1243 1.213,1244 1.142,1245 1.516,1246 1.42,1247 0.568,1248 1.463,1249 4.511,1251 5.838,1253 7.357,1255 8.961,1257 10.609,1259 1.836,1261 30.347,1263 5.757,1265 -1.276,1266 4.344,1270 -1.8,1271 1.002,1272 -4.475,1273 46.076,1274 121.727,1275 273.719,1276 350.241,1277 394.295,1278 406.295,1279 406.295,1280 150.925,1281 7.81,1282 149.07,1283 149.07,1284 24,1285 12.873,1286 4.644,1287 4,1288 78.544,1289 203,1290 242,1291 0.176,1292 284.203,1293 519.12,1294 685.216,1295 27721,1296 2.9,1297 30.277,1298 0.721,1299 0.538,1300 28.485,1301 22.589,1302 20.057,1303 0.446,1304 0.287,1305 12.696,1306 19.225,1307 12.436,1308 10.3,1309 19.296,1310 12.909,1311 18.442,1312 0.293,1313 0.152,1314 17.249,1315 9.59,1316 15.285,1317 0.191,1318 0.079,1319 13.772,1320 6.357,1321 11.412,1322 0.119,1323 0.044,1324 11.019,1325 4.238,1326 9.086,1327 0.077,1328 0.023,1329 8.987,1330 2.757,1331 0.277,1332 126.792,1333 0.185,1334 37.147,1335 0.487,1336 216,1337 822.078,1338 246.127,1339 739.04,1340 962.38,1341 682,1342 251,1343 666.818,1344 282.655,1345 663.373,1346 976.96,1347 621,1348 5.963}
{0 CHEMBL284702,1 1.768,2 13.955,3 2.301,4 5.296,5 154.58,6 8.502,7 0.383,8 4.367,9 4.472,10 4.011,11 3.894,12 5.658,13 3.911,14 4.868,15 5.004,16 4.423,17 4.264,18 6.331,19 4.272,20 5.168,21 5.326,22 4.575,23 4.407,24 6.764,25 4.405,26 5.274,27 5.469,28 4.528,29 4.391,30 6.678,31 4.393,32 5.253,33 5.423,34 4.619,35 4.395,36 6.804,37 4.425,38 5.324,39 5.508,40 4.66,41 4.411,42 6.897,43 4.455,44 5.311,45 5.472,46 4.642,47 4.41,48 6.925,49 4.45,50 5.332,51 5.521,52 4.602,53 4.399,54 6.949,55 4.419,56 0.271,57 1.162,58 10.961,59 6.144,60 48.334,61 6.7,62 0.806,63 1.982,64 21.098,65 10.205,66 130.793,67 11.775,68 1.485,69 2.305,70 32.413,71 13.132,72 251.101,73 15.47,74 1.542,75 2.445,76 41.922,77 14.074,78 257.386,79 16.636,80 1.541,81 2.551,82 38.331,83 14.01,84 254.97,85 15.387,86 1.791,87 2.698,88 44.218,89 14.536,90 303.877,91 15.697,92 1.855,93 2.788,94 41.227,95 14.577,96 324.399,97 14.682,98 2.137,99 2.608,100 45.943,101 14.86,102 388.753,103 16.518,105 102,106 67,107 0.272,108 0.615,109 0.771,110 0.871,111 0.902,112 0.902,113 3.81,114 0.842,115 -3.53,116 -3.5,117 -3.34,120 43.7,121 1,122 1,126 1,128 1,131 1,137 1,138 1,140 13,141 4,142 1,151 1,153 5,158 1,159 1,160 1,162 1,164 1,165 18,166 1,167 2,168 3,171 3,173 4,176 20,177 2,181 1,182 7,184 3,185 5,187 5,190 12,191 1,194 2,195 10,198 1,200 4,201 1,203 2,204 1,206 3,207 15,210 4,211 2,212 6,217 1,219 1,220 13,221 1,222 1,223 1,224 1,225 6,226 1,229 2,230 2,231 15,234 2,236 8,239 3,242 2,244 3,245 11,246 1,248 1,250 9,253 7,256 3,257 1,258 10,260 1,261 2,263 3,264 1,266 13,267 1,268 1,270 4696,271 28.617,272 28.617,273 28.617,274 28.617,275 28.617,276 25.311,277 28.949,278 16.626,279 28.92,280 23.109,281 23.109,282 23.109,283 23.109,284 23.109,285 18.037,286 29.519,287 7.866,288 23.63,289 4.381,290 2.155,291 1.144,292 0.495,293 0.292,294 0.292,295 4.493,303 1293,304 5.431,307 688.326,313 2.14,314 97.679,317 0.5,318 0.5,319 0.5,320 0.4,322 0.33,324 0.32,325 99.5,326 614,327 4.635,328 4.651,329 7.669,330 4.452,331 3.52,332 3.937,333 3.524,334 13.519,335 3.274,336 4.457,337 3.824,338 6.75,339 4.13,340 3.173,341 3.856,342 1.973,343 10.975,344 3.034,345 4.192,346 3.6,347 6.014,348 3.815,349 2.82,350 3.752,351 1.904,352 8.533,353 2.797,354 4.042,355 3.577,356 5.963,357 3.675,358 2.691,359 3.518,360 1.437,361 8.324,362 2.648,363 3.946,364 3.444,365 5.954,366 3.642,367 2.646,368 3.451,369 1.269,370 8.229,371 2.622,372 3.739,373 3.054,374 5.374,375 3.393,376 2.395,377 2.984,378 1.25,379 6.831,380 2.382,381 3.639,382 2.917,383 5.286,384 3.284,385 2.301,386 2.916,387 0.78,388 6.635,389 2.255,390 3.582,391 2.687,392 5.219,393 3.188,394 2.206,395 2.854,396 0.316,397 6.308,398 2.161,399 3.397,400 2.544,401 5.024,402 3.051,403 2.047,404 2.552,405 0.159,406 5.801,407 2.041,408 3.095,409 2.529,410 4.781,411 2.662,412 1.69,413 2.145,414 0.084,415 4.803,416 1.629,417 2.947,418 2.142,419 4.514,420 2.531,421 1.531,422 2.087,424 3.92,425 1.52,426 2.915,427 1.988,428 4.21,429 2.389,430 1.414,431 2.01,433 3.658,434 1.372,435 2.834,436 1.849,437 3.8,438 2.386,439 1.398,440 1.926,442 3.071,443 1.367,444 2.64,445 1.805,446 3.644,447 2.209,448 1.206,449 1.644,451 2.889,452 1.191,453 2.608,454 1.491,455 3.506,456 2.117,457 1.125,458 1.587,460 2.542,461 1.113,462 20.071,463 0.456,464 1.397,465 0.032,466 57,467 1.295,468 29,469 0.659,470 28,471 0.636,472 41.086,473 0.934,474 47.729,475 0.672,476 62.119,477 1.412,478 12.072,479 0.274,480 8.789,481 0.2,482 0.173,483 0.025,484 0.344,486 2,490 0.673,491 1.056,492 0.689,493 0.981,494 0.637,495 0.866,496 0.552,497 1.096,498 0.715,499 1.086,500 0.568,501 0.99,502 0.668,503 1.008,504 0.902,505 1.124,506 0.719,507 1.108,508 1.087,509 0.998,510 0.996,511 0.947,512 1.088,513 0.936,514 1.174,515 1.239,516 0.996,517 1.07,518 1.18,519 0.993,520 1.355,521 1.172,522 0.989,523 0.902,524 1.3,525 0.827,526 1.515,527 1.352,528 1.199,529 1.107,530 1.543,531 1.054,532 1.239,533 1.093,534 1.056,535 0.897,536 1.252,537 0.903,538 11,539 0.446,540 6,541 3.813,542 3.12,543 2.201,544 1.629,545 1.094,546 0.876,547 0.656,548 30991,549 106171,550 1.975,551 38,552 3,553 16,554 1,556 5,558 2,560 1.829,561 1.802,562 3.742,563 2.133,569 125.551,570 1.768,571 3.995,572 5.006,573 5.655,574 5.857,575 5.857,576 3.209,577 5.079,578 5.432,579 3.961,580 3746.95,581 9.661,582 69019.4,587 436.632,588 1.659,589 5.357,590 0.234,591 0.006,592 0.09,593 0.052,594 0.045,595 0.029,596 0.021,597 0.014,598 0.012,599 0.009,600 0.512,601 0.17,602 0.63,603 0.734,604 253.595,605 -0.084,606 -0.029,607 -0.007,608 0.047,609 -0.095,610 0.053,611 0.187,612 -0.02,613 0.078,614 -0.069,615 0.121,616 -0.048,617 0.236,618 0.009,619 -0.008,620 -0.144,621 0.179,622 -0.167,623 -0.072,624 -0.015,625 0.007,626 0.011,627 -0.078,628 0.032,629 -0.032,630 -0.113,631 -0.016,632 -0.097,633 -0.034,634 -0.065,635 -0.12,636 -0.047,637 0.046,638 0.056,639 -0.049,640 0.103,641 -0.156,642 -0.098,643 -0.184,644 -0.125,645 -0.144,646 -0.152,647 -0.001,648 0.013,649 -0.005,650 0.066,651 0.015,652 0.042,653 5.895,654 7.315,655 0.545,656 53.579,657 1.03,658 1.133,659 2.299,660 5.284,661 0.673,662 3.871,663 4.22,664 4.454,665 4.644,666 4.86,667 4.89,668 4.963,669 5.037,670 5.094,671 5.118,672 8.579,673 0.669,674 603.63,675 3.871,676 5.434,677 6.279,678 7.159,679 8.023,680 8.906,681 9.779,682 10.664,683 11.541,684 12.428,685 7,686 1,692 3,694 1,699 13,704 5,706 18,711 1,720 71,723 25,724 3,725 47,727 74,728 31,729 18,730 5,731 13,732 5,735 4,736 4,741 1,743 1,748 3,749 26,750 5,754 7,759 5,761 1,762 1,763 7,766 2,768 27,769 13,770 5,771 13,775 5,776 1,780 1,781 6,789 4,798 1,800 2,801 1,805 1,807 1,811 1,813 4,817 1,819 2,821 44,822 1,827 1,828 2,829 2,833 1,834 1,835 1,839 2,840 8.5,842 1,843 5,847 24.417,848 12.802,849 9.583,850 3.869,851 2.722,852 1.343,853 0.959,854 9.92,855 10.667,856 4.159,857 4.714,858 5.194,859 5.629,860 6.115,861 6.19,862 6.478,863 6.661,864 6.885,865 6.976,866 1,867 73,868 17.238,870 8.518,871 8.377,872 29.35,874 23.747,877 2.877,878 126.583,882 258.964,883 188.269,884 88.829,886 168.408,887 29.92,889 188.269,890 427.372,891 118.749,892 8.825,893 85.731,894 123.191,895 193.65,896 64.029,897 11.771,898 247.193,900 258.964,901 277.098,902 198.328,905 235.422,906 221.87,908 1.824,909 102.294,910 170.223,911 2.757,913 288.884,914 257.237,915 188.269,918 260.788,919 45.381,920 144.188,921 36.022,922 248.011,923 258.964,924 287.157,925 188.269,927 0.592,928 0.344,929 0.17,930 0.095,931 29,932 16,933 0.149,934 11,936 1,937 4.951,938 454.539,940 24,941 230.215,945 32.052,946 13.618,947 7.758,949 287.157,950 19.43,955 1.182,957 111.602,958 734.39,959 63,964 63.144,966 1.14,967 4.186,968 -7.217,969 73.101,970 80.41,971 0.288,972 0.65,973 0.814,974 0.92,975 0.952,976 0.952,977 5.418,978 2.206,979 6.304,980 6.635,981 4.905,982 5.403,983 3.779,984 7.152,985 4.858,986 6.642,987 2.047,988 7.904,989 6.308,990 4.691,991 5.239,992 3.758,993 8.308,994 4.576,995 7.961,996 1.69,997 9.617,998 5.801,999 6.572,1000 7.505,1001 5.432,1002 11.387,1003 6.45,1004 9.312,1005 1.531,1006 11.4,1007 4.803,1008 7.155,1009 8.07,1010 6.325,1011 13.413,1012 6.946,1013 10.692,1014 1.414,1015 13.232,1016 3.92,1017 8.576,1018 9.87,1019 7.661,1020 16.114,1021 8.344,1022 12.094,1023 1.398,1024 15.101,1025 3.658,1026 9.51,1027 10.772,1028 8.832,1029 18.487,1030 9.184,1031 13.514,1032 1.206,1033 17,1034 3.071,1035 10.778,1036 12.368,1037 10.104,1038 21.095,1039 10.408,1040 3.52,1041 1.125,1042 18.922,1043 2.889,1044 11.872,1045 13.448,1046 11.342,1047 23.602,1048 11.41,1049 3.173,1050 13.519,1051 20.864,1052 2.542,1053 13.095,1054 14.939,1055 12.603,1056 26.191,1057 12.573,1058 2.82,1059 10.975,1060 22.822,1061 3.937,1062 14.262,1063 16.123,1064 13.858,1065 28.751,1066 13.651,1067 2.691,1068 8.533,1069 24.794,1070 3.856,1071 15.48,1072 17.553,1073 15.118,1074 31.34,1075 14.797,1076 2.646,1077 8.324,1078 26.776,1079 3.752,1080 16.682,1081 18.799,1082 16.376,1083 33.921,1084 15.914,1085 2.395,1086 8.229,1087 28.768,1088 3.518,1089 17.906,1090 20.196,1091 17.635,1092 36.514,1093 17.06,1094 2.301,1095 6.831,1096 30.768,1097 3.451,1098 19.127,1099 21.48,1100 18.895,1101 39.106,1102 18.197,1103 30046,1104 55899,1105 29.937,1106 47.767,1107 72.591,1108 74.41,1109 73.783,1110 70.656,1111 70.5,1112 91.214,1113 25.392,1114 206.56,1115 68.932,1116 5.608,1117 6.651,1118 7.471,1119 5.522,1120 5.52,1121 6.937,1122 5.246,1123 21.702,1124 5.274,1125 28.752,1126 1.544,1127 1.583,1128 1.57,1129 1.503,1130 1.5,1131 1.941,1132 0.54,1133 4.395,1134 1.467,1135 4.017,1136 4.05,1137 3.969,1138 3.921,1139 8.363,1140 3.924,1141 3.946,1142 3.974,1143 3.9,1144 3.868,1145 7.999,1146 3.867,1147 3.913,1148 3.941,1149 3.848,1150 3.845,1151 7.475,1152 3.843,1153 3.781,1154 3.818,1155 3.729,1156 3.615,1157 7.436,1158 3.642,1159 3.732,1160 3.756,1161 3.7,1162 3.545,1163 7.426,1164 3.579,1165 3.525,1166 3.562,1167 3.475,1168 3.277,1169 7.423,1170 3.32,1171 3.335,1172 3.372,1173 3.273,1174 3.128,1175 7.412,1176 3.147,1177 3.251,1178 3.274,1179 3.171,1180 3.052,1181 6.351,1182 3.051,1183 0.099,1184 0.099,1185 0.163,1186 0.095,1187 0.075,1188 4.635,1189 0.084,1190 4.651,1191 0.075,1192 7.669,1193 0.288,1194 4.452,1195 0.07,1196 3.52,1197 3.937,1198 3.524,1199 13.519,1200 3.274,1201 1.945,1202 1.918,1203 2.058,1204 2.06,1205 1.244,1206 2.052,1207 1.928,1208 1.9,1209 2.05,1210 2.029,1211 1.161,1212 2.033,1213 1.904,1214 1.881,1215 2.002,1216 2.002,1217 1.087,1218 2.005,1219 1.708,1220 1.67,1221 1.821,1222 1.897,1223 0.951,1224 1.884,1225 1.628,1226 1.603,1227 1.741,1228 1.835,1229 0.876,1230 1.803,1231 1.39,1232 1.357,1233 1.537,1234 1.669,1235 0.63,1236 1.618,1237 1.259,1238 1.213,1239 1.534,1240 1.501,1241 0.568,1242 1.49,1243 1.212,1244 1.141,1245 1.432,1246 1.422,1247 0.472,1248 1.461,1249 4.554,1251 5.894,1253 7.422,1255 9.033,1257 10.688,1259 1.814,1261 30.63,1263 5.747,1264 9.133,1265 -1.129,1266 4.106,1270 -1.9,1271 0.962,1272 -4.645,1273 47.484,1274 125.551,1275 283.614,1276 355.407,1277 401.513,1278 415.877,1279 415.877,1280 178.212,1281 7.946,1282 173.48,1283 173.48,1284 24,1285 12.961,1286 4.7,1287 4.087,1288 84.592,1289 218,1290 238,1291 0.177,1292 292.066,1293 540.36,1294 704.402,1295 32791,1296 2.8,1297 32.018,1298 0.728,1299 0.529,1300 30.225,1301 23.291,1302 20.861,1303 0.444,1304 0.281,1305 12.969,1306 19.965,1307 12.72,1308 10.519,1309 20.1,1310 13.191,1311 19.633,1312 0.293,1313 0.148,1314 18.44,1315 9.886,1316 16.005,1317 0.188,1318 0.077,1319 14.482,1320 6.548,1321 12.034,1322 0.117,1323 0.043,1324 11.723,1325 4.382,1326 9.687,1327 0.076,1328 0.022,1329 9.427,1330 2.868,1331 0.277,1332 132.228,1333 0.183,1334 38.448,1335 0.487,1336 228,1337 902.318,1338 261.501,1339 812.211,1340 1050.87,1341 746,1342 266,1343 725.935,1344 299.645,1345 721.128,1346 1063.16,1347 675,1348 6.108}
{0 CHEMBL286319,1 1.632,2 15.091,3 4.259,4 18.136,5 161.582,6 8.395,7 0.571,8 4.365,9 4.465,10 4.028,11 3.957,12 5.599,13 3.96,14 4.856,15 4.984,16 4.407,17 4.337,18 6.096,19 4.327,20 5.14,21 5.309,22 4.497,23 4.457,24 6.434,25 4.429,26 5.202,27 5.392,28 4.447,29 4.432,30 6.424,31 4.405,32 5.173,33 5.348,34 4.519,35 4.441,36 6.545,37 4.426,38 5.249,39 5.433,40 4.563,41 4.46,42 6.608,43 4.447,44 5.225,45 5.396,46 4.509,47 4.417,48 6.544,49 4.421,50 5.196,51 5.378,52 4.488,53 4.411,54 6.591,55 4.401,56 0.116,57 1.055,58 10.735,59 5.915,60 17.409,61 6.628,62 0.351,63 1.698,64 19.681,65 9.829,66 31.693,67 11.459,68 0.816,69 2.177,70 31.687,71 13.343,72 104.643,73 15.746,74 0.877,75 2.216,76 36.914,77 13.753,78 123.388,79 15.85,80 0.84,81 2.129,82 33.753,83 13.201,84 129.723,85 15.65,86 1.002,87 2.294,88 38.574,89 14.631,90 128.575,91 17.493,92 0.965,93 2.238,94 37.191,95 13.346,96 132.353,97 13.988,98 1.058,99 2.24,100 37.185,101 13.767,102 178.076,103 15.347,105 26,106 69,107 0.249,108 0.564,109 0.698,110 0.824,111 0.865,112 0.87,113 3.81,114 0.845,115 -4.9,116 -4.81,117 -4.51,120 48.6,122 1,126 1,128 1,137 1,138 1,140 17,141 4,142 1,144 1,147 1,152 1,153 3,156 1,158 1,159 1,160 1,165 21,167 3,168 4,171 1,173 1,176 24,181 3,182 9,184 3,185 5,187 1,190 18,194 1,195 12,198 2,200 2,203 8,206 3,207 14,210 2,212 4,215 4,217 1,219 3,220 19,222 1,223 1,224 1,225 7,226 1,227 3,229 2,230 2,231 17,236 6,239 5,242 2,244 2,245 13,250 2,253 10,256 1,257 4,258 15,260 1,261 1,263 3,266 17,268 1,270 4738,271 29.877,272 29.877,273 29.877,274 29.877,275 29.877,276 25.782,277 18.662,278 17.606,279 30.132,280 24.193,281 24.193,282 24.193,283 24.193,284 24.193,285 18.025,286 17.06,287 8.433,288 24.624,289 4.497,290 2.435,291 1.552,292 0.73,293 0.457,294 0.429,295 4.521,302 1,303 1463,304 4.243,306 108.072,307 774.681,310 205.523,313 2.19,314 63.642,317 0.75,318 0.5,319 0.67,320 0.5,322 0.83,323 1,324 0.61,325 96,326 664,327 4.548,328 3.836,329 6.747,330 4.133,331 3.173,332 4.472,333 1.964,334 10.961,335 3.097,336 4.452,337 3.757,338 6.503,339 4.11,340 3.125,341 3.92,342 1.381,343 10.208,344 3.027,345 4.193,346 3.511,347 6.24,348 3.892,349 2.892,350 3.739,351 1.251,352 9.348,353 2.89,354 4.026,355 3.062,356 5.994,357 3.664,358 2.674,359 3.509,360 0.78,361 8.569,362 2.646,363 4.011,364 3.011,365 5.943,366 3.614,367 2.626,368 3.481,369 0.297,370 8.158,371 2.591,372 3.837,373 2.84,374 5.434,375 3.435,376 2.432,377 3.3,378 0.103,379 7.082,380 2.437,381 3.67,382 2.747,383 5.263,384 3.305,385 2.307,386 2.982,388 6.544,389 2.299,390 3.606,391 2.665,392 5.098,393 3.185,394 2.231,395 2.844,397 6.12,398 2.098,399 3.317,400 2.143,401 4.939,402 2.868,403 1.886,404 2.664,406 5.485,407 1.857,408 3.131,409 2.032,410 4.671,411 2.736,412 1.763,413 2.311,415 4.736,416 1.71,417 3.047,418 1.971,419 4.52,420 2.614,421 1.63,422 2.217,424 4.552,425 1.59,426 2.992,427 1.866,428 4.349,429 2.501,430 1.521,431 2.122,433 4.166,434 1.488,435 2.939,436 1.624,437 4.254,438 2.382,439 1.414,440 2.007,442 3.744,443 1.378,444 2.819,445 1.501,446 3.691,447 2.369,448 1.384,449 1.925,451 3.053,452 1.339,453 2.625,454 1.491,455 3.52,456 2.147,457 1.147,458 1.679,460 2.699,461 1.146,462 20.619,463 0.469,464 1.079,465 0.025,466 62,467 1.409,468 33.5,469 0.761,470 28.5,471 0.648,472 37.038,473 0.842,474 44.781,475 0.64,476 59.105,477 1.343,478 12.834,479 0.292,480 8.517,481 0.194,482 0.082,484 0.359,488 1,490 0.671,491 1.042,492 0.673,493 0.928,494 0.585,495 0.821,496 0.648,497 1.09,498 0.787,499 1.062,500 0.591,501 0.981,502 0.877,503 1.013,504 0.969,505 1.038,506 0.924,507 1.032,508 1.217,509 0.922,510 1.079,511 0.931,512 1.209,513 0.957,514 0.917,515 0.953,516 0.928,517 1.005,518 0.815,519 0.969,520 0.997,521 0.903,522 0.895,523 0.99,524 1.1,525 0.939,526 1.594,527 0.972,528 1.167,529 0.938,530 1.519,531 0.944,532 1.344,533 0.997,534 1.047,535 0.912,536 1.261,537 0.904,538 8.5,539 0.417,540 5.111,541 3.104,542 2.547,543 1.924,544 1.148,545 0.979,546 0.776,547 0.49,548 34826,549 101728,550 2.123,551 37.1,553 20,554 1,556 3,558 2,560 1.828,561 2,562 3.831,563 0.696,569 114.255,570 1.632,571 3.695,572 4.578,573 5.399,574 5.672,575 5.701,576 3.338,577 5.033,578 5.43,579 4.021,580 3804.17,581 9.65,582 70418.9,587 429.05,588 1.363,589 5.397,590 0.173,591 0.006,592 0.074,593 0.043,594 0.037,595 0.026,596 0.015,597 0.014,598 0.011,599 0.007,600 0.408,601 0.17,602 0.75,603 0.481,604 254.498,605 -0.057,606 -0.043,607 0.028,608 0.013,609 -0.069,610 0.038,611 0.08,612 -0.097,613 -0.001,614 -0.117,615 0.01,616 -0.091,617 0.091,618 -0.017,619 -0.04,620 -0.077,621 0.011,622 -0.093,623 -0.14,624 0.023,625 -0.083,626 0.022,627 -0.146,628 -0.006,629 0.06,630 -0.061,631 0.023,632 -0.064,633 0.14,634 -0.033,635 0.099,636 -0.013,637 0.108,638 -0.031,639 0.051,640 0.021,641 -0.264,642 -0.023,643 -0.16,644 -0.004,645 -0.222,646 -0.043,647 -0.066,648 0.034,649 -0.025,650 0.056,651 0.028,652 0.039,653 2.398,654 6.796,655 0.75,656 54.94,657 1.015,658 1.118,659 3.675,660 13.504,661 0.702,662 3.912,663 4.248,664 4.533,665 4.796,666 5.056,667 5.136,668 5.273,669 5.438,670 5.549,671 5.617,672 8.814,673 0.688,674 587.65,675 3.912,676 5.468,677 6.326,678 7.207,679 8.082,680 8.969,681 9.851,682 10.741,683 11.627,684 12.519,685 7.1,686 1,692 2,694 1,695 1,698 2,699 17,700 1,702 1,704 6,706 28,708 1,719 1,720 70,723 33,724 4,725 49,727 75,728 34,729 25,730 7,731 17,732 5,735 6,736 7,748 2,749 31,750 3,754 5,759 3,761 1,762 1,763 5,766 1,768 26,769 10,770 3,771 10,775 5,776 1,780 0.833,781 4,784 1,788 1,789 5,792 1,800 1,801 1,805 1,807 1,813 5,819 1,821 44,822 1,828 2,829 1,833 1,834 1,839 1,840 5.7,843 3,845 1,847 22,848 12.576,849 9.556,850 4.008,851 4.459,852 1.512,853 1.022,854 8.245,855 13.175,856 4.234,857 4.842,858 5.426,859 5.988,860 6.555,861 6.835,862 7.259,863 7.706,864 8.021,865 8.332,866 1,867 72,868 16.439,870 7.338,871 7.977,872 30.313,874 25.091,877 2.477,878 109,882 270.735,883 228.275,884 87.603,886 84.942,887 14.96,889 228.275,890 355.677,891 102.563,893 67.72,894 161.096,895 116.868,896 50.3,897 31.567,898 258.964,900 270.735,901 315.878,902 99.902,905 262.153,906 108.484,909 82.622,910 213.714,911 19.542,913 285.695,914 172.545,915 228.275,918 270.735,919 58.131,920 173.268,921 18.011,922 166.37,923 270.735,924 187.506,925 228.275,927 0.585,928 0.343,929 0.183,930 0.106,931 33,932 15,933 0.12,934 9,935 1,936 1.061,937 5.208,938 469.607,939 0.061,940 33,941 228.215,945 28.878,946 12.563,947 6.427,948 0.931,949 187.506,950 29.738,951 4.459,953 5.836,955 2.497,957 50.908,958 686.516,959 68,964 40.196,966 1.188,967 4.218,968 -1.856,969 71.051,970 78.236,971 0.266,972 0.603,973 0.747,974 0.881,975 0.925,976 0.93,977 5.472,978 2.231,979 6.312,980 6.544,981 4.934,982 5.531,983 2.755,984 7.124,985 4.9,986 6.688,987 1.886,988 7.872,989 6.12,990 4.511,991 5.27,992 1.668,993 8.005,994 4.457,995 7.995,996 1.763,997 9.531,998 5.485,999 6.532,1000 7.715,1001 3.505,1002 11.119,1003 6.46,1004 9.335,1005 1.63,1006 11.249,1007 4.736,1008 6.929,1009 8.271,1010 3.171,1011 12.83,1012 6.836,1013 10.705,1014 1.521,1015 13.004,1016 4.552,1017 8.411,1018 10.178,1019 4.495,1020 15.457,1021 8.3,1022 12.096,1023 1.414,1024 14.785,1025 4.166,1026 9.186,1027 11.144,1028 4.604,1029 17.519,1030 9.051,1031 13.504,1032 1.384,1033 16.586,1034 3.744,1035 10.451,1036 12.813,1037 5.638,1038 19.974,1039 10.297,1040 3.173,1041 1.147,1042 18.401,1043 3.053,1044 11.41,1045 14.005,1046 6.002,1047 22.194,1048 11.229,1049 3.125,1050 10.961,1051 20.227,1052 2.699,1053 12.586,1054 15.562,1055 6.875,1056 24.586,1057 12.383,1058 2.892,1059 10.208,1060 22.063,1061 4.472,1062 13.633,1063 16.882,1064 7.381,1065 26.881,1066 13.402,1067 2.674,1068 9.348,1069 23.906,1070 3.92,1071 14.776,1072 18.387,1073 8.165,1074 29.252,1075 14.52,1076 2.626,1077 8.569,1078 25.756,1079 3.739,1080 15.866,1081 19.779,1082 8.747,1083 31.583,1084 15.582,1085 2.432,1086 8.158,1087 27.611,1088 3.509,1089 16.998,1090 21.264,1091 9.482,1092 33.95,1093 16.688,1094 2.307,1095 7.082,1096 29.47,1097 3.481,1098 18.11,1099 22.698,1100 10.107,1101 36.301,1102 17.771,1103 32179,1104 55253,1105 33.115,1106 49.159,1107 75.19,1108 77.033,1109 75.513,1110 73.675,1111 73.599,1112 99.745,1113 11.552,1114 212.151,1115 72.371,1116 5.51,1117 5.836,1118 6.549,1119 5.203,1120 5.173,1121 7.472,1122 3.447,1123 18.309,1124 5.097,1125 20.374,1126 1.534,1127 1.572,1128 1.541,1129 1.504,1130 1.502,1131 2.036,1132 0.236,1133 4.33,1134 1.477,1135 4.121,1136 4.135,1137 4.093,1138 4.019,1139 8.201,1140 4.03,1141 3.98,1142 4.013,1143 3.942,1144 3.883,1145 7.436,1146 3.888,1147 3.919,1148 3.95,1149 3.849,1150 3.853,1151 7.425,1152 3.849,1153 3.851,1154 3.876,1155 3.792,1156 3.76,1157 7.422,1158 3.766,1159 3.764,1160 3.801,1161 3.717,1162 3.597,1163 5.186,1164 3.624,1165 3.635,1166 3.675,1167 3.571,1168 3.475,1169 5.076,1170 3.492,1171 3.416,1172 3.447,1173 3.354,1174 3.218,1175 4.767,1176 3.247,1177 3.237,1178 3.286,1179 3.139,1180 3.083,1181 4.747,1182 3.091,1183 0.093,1184 0.078,1185 0.138,1186 0.084,1187 0.065,1188 4.548,1189 0.091,1190 3.836,1191 0.04,1192 6.747,1193 0.224,1194 4.133,1195 0.063,1196 3.173,1197 4.472,1198 1.964,1199 10.961,1200 3.097,1201 1.992,1202 1.973,1203 2.082,1204 2.059,1205 1.241,1206 2.067,1207 1.929,1208 1.899,1209 2.056,1210 2.052,1211 1.195,1212 2.041,1213 1.916,1214 1.889,1215 2.005,1216 2.015,1217 1.099,1218 2.021,1219 1.76,1220 1.735,1221 1.876,1222 1.88,1223 0.947,1224 1.865,1225 1.692,1226 1.655,1227 1.805,1228 1.857,1229 0.935,1230 1.862,1231 1.605,1232 1.577,1233 1.728,1234 1.808,1235 0.854,1236 1.783,1237 1.346,1238 1.313,1239 1.527,1240 1.607,1241 0.59,1242 1.569,1243 1.18,1244 1.138,1245 1.332,1246 1.417,1247 0.36,1248 1.401,1249 4.595,1251 5.927,1252 2.398,1253 7.449,1254 4.727,1255 9.056,1256 6.843,1257 10.706,1261 13.542,1263 5.817,1265 -0.343,1266 2.752,1270 -1.064,1271 1.09,1273 48.144,1274 114.255,1275 258.63,1276 320.444,1277 377.93,1278 397.05,1279 399.05,1280 109.037,1281 8.716,1282 133.11,1283 133.11,1284 35,1285 13.048,1286 5.087,1287 4.322,1288 65.765,1289 224,1290 262,1291 0.133,1292 291.011,1293 516.81,1294 701.827,1295 87480,1296 1.4,1297 30.631,1298 0.696,1299 0.53,1300 29.761,1301 23.314,1302 21.351,1303 0.436,1304 0.282,1305 13.624,1306 20.616,1307 13.39,1308 11.049,1309 20.958,1310 13.803,1311 19.42,1312 0.281,1313 0.147,1314 18.798,1315 10.177,1316 16.68,1317 0.181,1318 0.077,1319 16.269,1320 7.118,1321 13.571,1322 0.113,1323 0.041,1324 13.419,1325 4.918,1326 11.501,1327 0.074,1328 0.022,1329 11.271,1330 3.364,1331 0.21,1332 133.62,1333 0.174,1334 38.641,1335 0.363,1336 236,1337 779.634,1338 260.34,1339 730.267,1340 986.72,1341 680,1342 279,1343 721.135,1344 304.334,1345 723.296,1346 1060.72,1347 682,1348 5.788}
{0 CHEMBL287318,1 1.692,2 15.426,3 4.026,4 16.21,5 164.76,6 7.572,7 0.245,8 4.54,9 4.656,10 4.079,11 4.006,12 5.722,13 4.004,14 5.112,15 5.281,16 4.515,17 4.397,18 6.452,19 4.381,20 5.443,21 5.634,22 4.628,23 4.566,24 6.855,25 4.529,26 5.562,27 5.793,28 4.675,29 4.553,30 6.872,31 4.54,32 5.533,33 5.716,34 4.722,35 4.548,36 7.048,37 4.571,38 5.562,39 5.753,40 4.764,41 4.66,42 6.956,43 4.655,44 5.683,45 5.886,46 4.847,47 4.727,48 7.098,49 4.714,50 5.742,51 5.958,52 4.75,53 4.712,54 7.219,55 4.677,56 0.234,57 1.339,58 17.31,59 8.146,60 38.425,61 10.196,62 1.021,63 2.266,64 35.055,65 13.359,66 151.71,67 17.774,68 1.837,69 2.63,70 52.775,71 16.989,72 275.291,73 22.994,74 1.753,75 2.779,76 63.456,77 17.546,78 281.569,79 24.829,80 2.421,81 2.868,82 60.663,83 15.921,84 377.843,85 20.066,86 1.895,87 3.145,88 60.851,89 19.338,90 311.208,91 24.267,92 2.026,93 3.513,94 69.555,95 21.919,96 343.526,97 28.354,98 3.132,99 3.47,100 77.834,101 21.326,102 516.869,103 27.772,105 211,106 71,107 0.254,108 0.566,109 0.744,110 0.839,111 0.849,112 0.849,113 3.874,114 0.925,115 -2.92,116 -2.92,117 -2.83,120 37.9,121 5,122 3,123 1,126 1,128 3,130 1,131 1,140 9,141 2,142 1,151 1,153 4,154 1,162 1,164 1,165 14,166 1,167 2,168 6,171 5,173 5,176 16,177 2,181 1,182 6,185 4,187 8,190 7,191 1,194 1,195 17,198 1,200 8,201 1,203 1,204 1,206 6,207 12,210 3,211 2,212 6,215 3,219 1,220 11,221 1,223 1,224 1,225 3,227 9,230 2,231 23,234 2,236 6,239 11,244 4,245 8,246 1,248 3,250 6,253 9,257 1,258 8,261 2,263 4,264 1,266 19,267 1,270 5594,271 29.617,272 29.617,273 29.617,274 29.617,275 29.617,276 27.4,277 32.755,278 17.046,279 30.039,280 24.088,281 24.088,282 24.088,283 24.088,284 24.088,285 20.505,286 36.517,287 8.024,288 24.782,289 4.751,290 2.676,291 1.487,292 0.86,293 0.791,294 0.791,295 4.541,303 1480,304 6.819,306 171.474,307 392.972,313 2.301,314 109.459,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 107,326 725,327 4.636,328 4.651,329 7.669,330 4.453,331 3.521,332 3.856,333 3.524,334 13.519,335 3.276,336 4.296,337 3.96,338 6.779,339 4.15,340 3.186,341 3.753,342 2.19,343 11.019,344 3.071,345 4.192,346 3.767,347 6.447,348 4.063,349 3.121,350 3.457,351 2.012,352 10.156,353 2.923,354 4.154,355 3.653,356 6.223,357 3.817,358 2.824,359 3.438,360 1.944,361 9.071,362 2.799,363 3.958,364 3.579,365 6,366 3.768,367 2.783,368 3.209,369 1.899,370 8.51,371 2.733,372 3.872,373 3.477,374 5.945,375 3.614,376 2.628,377 3.037,378 1.437,379 8.197,380 2.588,381 3.672,382 3.171,383 5.377,384 3.34,385 2.35,386 2.947,387 1.267,388 6.824,389 2.318,390 3.509,391 2.923,392 5.324,393 3.207,394 2.238,395 2.65,396 0.635,397 6.548,398 2.154,399 3.414,400 2.688,401 5.208,402 3.063,403 2.077,404 2.545,405 0.366,406 6.028,407 2.023,408 3.201,409 2.639,410 4.852,411 2.964,412 1.962,413 2.233,414 0.207,415 5.41,416 1.943,417 2.953,418 2.529,419 4.677,420 2.59,421 1.575,422 2.09,423 0.086,424 4.116,425 1.586,426 2.841,427 2.332,428 4.298,429 2.518,430 1.513,431 1.932,432 0.05,433 3.643,434 1.511,435 2.778,436 1.983,437 3.815,438 2.385,439 1.397,440 1.756,442 3.072,443 1.367,444 2.622,445 1.805,446 3.716,447 2.213,448 1.211,449 1.567,451 2.894,452 1.197,453 2.53,454 1.491,455 3.64,456 2.005,457 1,458 1.5,460 2.341,461 1,462 21.338,463 0.454,464 1.771,465 0.038,466 51,467 1.085,468 21.5,469 0.457,470 29.5,471 0.628,472 58.221,473 1.239,474 54.862,475 0.631,476 58.441,477 1.243,478 10.045,479 0.214,480 11.856,481 0.252,482 0.253,483 0.047,484 0.323,486 2,490 0.665,491 1.245,492 0.77,493 1.224,494 0.604,495 1.062,496 0.518,497 1.146,498 0.718,499 1.138,500 0.496,501 1.019,502 0.813,503 1.019,504 0.992,505 1.122,506 0.722,507 1.117,508 1.034,509 1.016,510 0.836,511 0.93,512 1.067,513 0.836,514 1.505,515 1.057,516 1.205,517 0.851,518 1.537,519 0.905,520 1.241,521 1.194,522 1.023,523 1.014,524 1.196,525 0.961,526 1.148,527 1.32,528 0.959,529 1.144,530 1.168,531 1.025,532 1.316,533 1.073,534 1.197,535 0.889,536 1.337,537 0.977,538 13.5,539 0.448,540 6.444,541 4.368,542 3.303,543 2.226,544 2.178,545 1.275,546 0.922,547 0.735,548 35412,549 114140,550 1.891,551 46,552 6,553 14,556 4,558 16,560 1.844,561 1.699,562 3.864,563 1.388,569 147.194,570 1.692,571 3.767,572 4.956,573 5.583,574 5.652,575 5.652,576 3.319,577 4.996,578 5.524,579 4.091,580 4421.84,581 9.845,582 85834.9,587 560.536,588 1.765,589 5.425,590 0.276,591 0.006,592 0.091,593 0.059,594 0.042,595 0.027,596 0.025,597 0.014,598 0.012,599 0.01,600 0.561,601 0.17,602 0.63,603 1.483,604 277.066,605 -0.058,606 -0.092,607 0.01,608 -0.026,609 -0.065,610 0.008,611 0.239,612 -0.033,613 0.158,614 -0.044,615 0.173,616 0.012,617 0.127,618 -0.002,619 -0.045,620 -0.112,621 0.125,622 -0.135,623 -0.034,624 -0.071,625 0.171,626 0.011,627 -0.035,628 0.129,629 -0.155,630 0.056,631 -0.159,632 0.071,633 -0.119,634 -0.019,635 -0.099,636 -0.054,637 -0.027,639 -0.048,640 0.007,641 -0.023,642 -0.177,643 0.047,644 -0.129,645 -0.003,646 -0.043,647 -0.054,648 0.062,649 -0.143,650 0.056,651 -0.037,652 -0.045,653 5.892,654 7.429,655 0.362,656 65.386,657 1.021,658 1.141,659 1.688,660 2.85,661 0.632,662 3.912,663 4.277,664 4.454,665 4.644,666 4.754,667 4.804,668 4.927,669 4.934,670 4.997,671 5.03,672 9.22,673 0.616,674 658.77,675 3.912,676 5.485,677 6.315,678 7.204,679 8.055,680 8.945,681 9.806,682 10.696,683 11.564,684 12.454,685 4.6,692 4,699 9,704 3,706 12,711 1,720 87,723 18,724 2,725 49,727 89,728 33,729 12,730 3,731 9,732 1,735 3,736 3,741 5,743 1,745 3,748 7,749 18,750 15,751 2,754 6,759 6,763 6,766 2,768 40,769 14,770 4,771 14,775 4,780 1,781 8,786 1,788 1,789 2,798 1,800 2,801 1,810 1,811 1,813 3,817 5,819 2,821 47,827 1,828 4,829 3,830 1,833 4,834 1,835 2,839 2,840 9.2,842 1,843 6,845 1,847 27.667,848 16.686,849 10.153,850 5.178,851 1.437,852 1.183,853 0.897,854 12.648,855 9.272,856 4.127,857 4.625,858 4.99,859 5.36,860 5.703,861 5.68,862 5.934,863 6.007,864 6.166,865 6.212,866 1,867 74,868 18.541,870 9.079,871 8.348,872 31.912,874 25.926,877 2.848,878 133.833,882 423.76,883 176.993,884 57.157,886 204.553,887 29.92,889 176.993,890 628.312,891 87.077,892 44.126,893 66.866,894 85.286,895 213.71,896 51.872,897 6.763,898 423.76,900 423.76,901 234.15,902 234.473,905 235.422,906 422.811,908 1.824,909 110.992,910 121.334,913 453.68,914 261.709,915 176.993,918 425.584,919 45.757,920 132.537,921 54.032,922 234.473,923 423.76,924 291.63,925 176.993,927 0.598,928 0.331,929 0.165,930 0.083,931 29,932 18,933 0.157,934 14,936 1,937 5.038,938 486.034,940 17,941 248.311,945 37.586,946 15.815,947 10.308,949 291.63,950 12.58,955 -0.133,957 96.716,958 892.383,959 61,964 76.881,968 -7.548,969 88.839,970 99.237,971 0.263,972 0.585,973 0.769,974 0.867,975 0.877,976 0.877,977 5.416,978 2.238,979 6.375,980 6.824,981 4.963,982 5.313,983 4.012,984 7.242,985 4.905,986 6.633,987 2.077,988 7.992,989 6.548,990 4.89,991 5.255,992 3.946,993 8.502,994 4.764,995 7.955,996 1.962,997 9.722,998 6.028,999 6.678,1000 7.329,1001 5.622,1002 11.521,1003 6.533,1004 9.305,1005 1.575,1006 11.52,1007 5.41,1008 7.359,1009 7.97,1010 6.423,1011 13.575,1012 7.133,1013 10.685,1014 1.513,1015 13.362,1016 4.116,1017 8.73,1018 9.629,1019 7.751,1020 16.242,1021 8.471,1022 12.084,1023 1.397,1024 15.236,1025 3.643,1026 9.712,1027 10.566,1028 8.875,1029 18.604,1030 9.371,1031 13.5,1032 1.211,1033 17.135,1034 3.072,1035 10.955,1036 12.069,1037 10.138,1038 21.189,1039 10.566,1040 3.521,1041 1,1042 19.054,1043 2.894,1044 12.065,1045 13.154,1046 11.36,1047 23.679,1048 11.596,1049 3.186,1050 13.519,1051 20.99,1052 2.341,1053 13.274,1054 14.583,1055 12.616,1056 26.252,1057 12.745,1058 3.121,1059 11.019,1060 22.94,1061 3.856,1062 14.44,1063 15.753,1064 13.865,1065 28.799,1066 13.833,1067 2.824,1068 10.156,1069 24.903,1070 3.753,1071 15.646,1072 17.142,1073 15.122,1074 31.378,1075 14.971,1076 2.783,1077 9.071,1078 26.876,1079 3.457,1080 16.841,1081 18.365,1082 16.378,1083 33.951,1084 16.088,1085 2.628,1086 8.51,1087 28.858,1088 3.438,1089 18.053,1090 19.731,1091 17.637,1092 36.537,1093 17.227,1094 2.35,1095 8.197,1096 30.847,1097 3.209,1098 19.264,1099 20.99,1100 18.896,1101 39.123,1102 18.361,1103 35460,1104 64094,1105 29.937,1106 55,1107 75.861,1108 78.787,1109 77.546,1110 74.447,1111 74.215,1112 88.994,1113 31.229,1114 220.751,1115 72.269,1116 5.625,1117 6.651,1118 7.471,1119 5.527,1120 5.521,1121 6.856,1122 5.246,1123 21.707,1124 5.276,1125 36.033,1126 1.548,1127 1.608,1128 1.583,1129 1.519,1130 1.515,1131 1.816,1132 0.637,1133 4.505,1134 1.475,1135 4.007,1136 4.045,1137 3.948,1138 3.898,1139 8.363,1140 3.9,1141 3.922,1142 3.953,1143 3.863,1144 3.845,1145 7.999,1146 3.844,1147 3.898,1148 3.934,1149 3.822,1150 3.757,1151 7.475,1152 3.767,1153 3.773,1154 3.816,1155 3.717,1156 3.596,1157 7.44,1158 3.606,1159 3.728,1160 3.755,1161 3.658,1162 3.547,1163 7.43,1164 3.567,1165 3.675,1166 3.729,1167 3.539,1168 3.524,1169 7.425,1170 3.523,1171 3.456,1172 3.5,1173 3.379,1174 3.213,1175 7.422,1176 3.249,1177 3.329,1178 3.388,1179 3.235,1180 3.06,1181 7.411,1182 3.087,1183 0.095,1184 0.095,1185 0.157,1186 0.091,1187 0.072,1188 4.636,1189 0.079,1190 4.651,1191 0.072,1192 7.669,1193 0.276,1194 4.453,1195 0.067,1196 3.521,1197 3.856,1198 3.524,1199 13.519,1200 3.276,1201 1.929,1202 1.9,1203 2.057,1204 2.037,1205 1.257,1206 2.038,1207 1.904,1208 1.881,1209 2.002,1210 2.004,1211 1.246,1212 2.005,1213 1.777,1214 1.73,1215 1.981,1216 1.978,1217 1.209,1218 1.973,1219 1.69,1220 1.644,1221 1.942,1222 1.888,1223 1.117,1224 1.902,1225 1.67,1226 1.629,1227 1.865,1228 1.862,1229 1.087,1230 1.854,1231 1.575,1232 1.532,1233 1.768,1234 1.767,1235 0.987,1236 1.773,1237 1.484,1238 1.423,1239 1.663,1240 1.723,1241 0.899,1242 1.712,1243 1.308,1244 1.266,1245 1.438,1246 1.575,1247 0.532,1248 1.545,1249 4.595,1251 5.948,1252 2.398,1253 7.467,1254 4.595,1255 9.06,1256 6.605,1257 10.695,1259 8.389,1261 30.857,1264 9.164,1265 0.309,1266 6.774,1267 5.279,1270 -4.487,1271 1.238,1272 -5.469,1273 53.58,1274 147.194,1275 327.711,1276 431.139,1277 485.742,1278 491.742,1279 491.742,1280 272.337,1281 7.835,1282 171.21,1283 171.21,1284 17,1285 12.987,1286 4.248,1287 3.7,1288 112.978,1289 252,1290 265,1291 0.208,1292 331.552,1293 615.36,1294 800.748,1295 28026,1296 2.3,1297 35.104,1298 0.747,1299 0.571,1300 33.311,1301 26.842,1302 21.901,1303 0.447,1304 0.308,1305 14.86,1306 20.842,1307 14.398,1308 11.993,1309 21.14,1310 15.116,1311 21.628,1312 0.305,1313 0.177,1314 20.435,1315 12.587,1316 15.837,1317 0.186,1318 0.086,1319 14.314,1320 7.321,1321 12.401,1322 0.12,1323 0.049,1324 12.09,1325 5.027,1326 8.794,1327 0.076,1328 0.026,1329 8.53,1330 3.023,1331 0.328,1332 139.469,1333 0.183,1334 40.62,1335 0.569,1336 240,1337 939.164,1338 280.169,1339 831.485,1340 1063.07,1341 762,1342 276,1343 726.154,1344 313.934,1345 713.295,1346 1051.21,1347 666,1348 6.439}
{0 CHEMBL287807,1 1.82,2 12.407,3 3.716,4 13.807,5 105.13,6 8.407,7 0.429,8 3.981,9 4.08,10 3.781,11 3.52,12 5.104,13 3.482,14 4.495,15 4.639,16 4.05,17 3.854,18 5.892,19 3.797,20 4.699,21 4.878,22 4.18,23 3.98,24 5.831,25 3.882,26 4.749,27 4.93,28 4.179,29 3.905,30 6.087,31 3.834,32 4.689,33 4.875,34 3.89,35 3.816,36 5.882,37 3.748,38 4.584,39 4.766,40 3.866,41 3.851,42 5.803,43 3.753,44 4.685,45 4.902,46 3.77,47 3.858,48 5.78,49 3.73,50 4.605,51 4.827,52 3.751,53 3.755,54 5.641,55 3.636,56 0.158,57 0.696,58 12.047,59 4.91,60 26.244,61 5.486,62 0.575,63 1.016,64 19.118,65 8.07,66 77.292,67 9.515,68 0.511,69 1.167,70 32.079,71 10.173,72 55.051,73 11.43,74 0.835,75 1.127,76 37.125,77 10.65,78 93.313,79 11.874,80 0.808,81 1.054,82 29.815,83 9.008,84 93.928,85 10.031,86 0.56,87 1.048,88 25.941,89 9.193,90 65.55,91 10.965,92 0.633,93 1.077,94 30.626,95 9.816,96 87.9,97 12.196,98 0.594,99 0.984,100 28.345,101 9.026,102 65.108,103 11.106,105 44,106 38,107 0.309,108 0.631,109 0.773,110 0.855,111 0.869,112 0.869,113 3.339,114 1.077,115 -4.27,116 -4.21,117 -3.98,120 36.7,121 1,122 2,126 2,140 7,141 1,142 4,154 1,158 2,159 2,160 2,165 7,167 3,168 6,170 2,171 2,172 1,175 2,176 8,180 1,182 7,190 4,194 1,195 17,200 2,203 4,205 2,206 1,207 5,212 2,215 5,217 2,219 2,220 5,227 10,231 4,233 2,234 2,239 9,245 6,253 7,257 1,258 5,263 4,266 3,268 4,270 1267,271 17.438,272 17.438,273 17.438,274 17.438,275 17.438,276 15.234,277 19.643,278 10.608,279 18.025,280 13.86,281 13.86,282 13.86,283 13.86,284 13.86,285 10.606,286 21.443,287 5.11,288 14.884,289 3.794,290 1.905,291 1.07,292 0.587,293 0.505,294 0.505,295 4,298 1,301 1,302 1,303 680,304 4.301,307 204.185,313 2.096,314 40.103,317 1,318 1,319 0.83,320 1,321 0.5,322 1,323 1,324 0.9,325 59.833,326 335,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.168,337 3.242,338 5.785,339 3.74,340 2.778,341 3.816,342 1.2,343 8.204,344 2.668,345 3.832,346 2.971,347 5.541,348 3.302,349 2.377,350 3.384,351 0.86,352 7.093,353 2.165,354 3.659,355 2.815,356 4.97,357 3.145,358 2.236,359 2.902,360 0.129,361 5.827,362 2.034,363 3.344,364 2.565,365 4.73,366 2.984,367 2.054,368 2.588,370 5.213,371 1.906,372 3.247,373 2.342,374 4.659,375 2.843,376 1.882,377 2.498,379 5.182,380 1.789,381 2.864,382 1.925,383 4.1,384 2.619,385 1.644,386 2.022,388 3.401,389 1.597,390 2.7,391 1.769,392 3.73,393 2.354,394 1.414,395 1.714,397 3.207,398 1.27,399 2.658,400 1.554,401 3.603,402 2.143,403 1.155,404 1.7,406 2.842,407 1.129,408 2.073,409 1.346,410 3.19,411 1.953,412 1.023,413 1.059,415 2.13,416 0.944,417 1.382,418 0.783,419 3.163,420 1.198,421 0.288,422 0.305,424 0.625,425 0.261,426 1.204,427 0.635,428 2.663,429 0.833,430 -0.086,431 -0.104,433 -0.244,434 -0.071,435 1.096,436 0.291,437 2.633,438 0.62,439 -0.257,440 -0.331,442 -0.62,443 -0.184,444 1,445 -0.091,446 2.322,447 0.56,448 -0.353,449 -0.42,451 -0.874,452 -0.338,453 0.946,454 -0.13,455 2.171,456 0.471,457 -0.488,458 -0.564,460 -1.155,461 -0.471,462 13.081,463 0.484,464 0.81,465 0.03,466 34.25,467 1.269,468 17.5,469 0.648,470 16.75,471 0.62,472 22.288,473 0.825,474 30.719,475 0.627,476 26.735,477 0.99,478 6.754,479 0.25,480 6.021,481 0.223,482 0.205,483 0.064,484 0.229,490 0.704,491 1.277,492 0.73,493 1.215,494 0.846,495 0.952,496 0.688,497 0.948,498 0.675,499 0.904,500 0.471,501 0.932,502 1.178,503 1.015,504 0.925,505 0.974,506 0.899,507 0.961,508 1.108,509 1.019,510 1.111,511 1.189,512 1.032,513 0.961,514 1.685,515 0.753,516 0.968,517 0.785,518 1.632,519 0.857,520 0.834,521 1.065,522 0.953,523 1.102,524 0.854,525 1.046,526 1.011,527 0.88,528 0.995,529 0.933,530 1.159,531 1.016,532 1.027,533 0.92,534 0.858,535 0.885,536 0.839,537 0.93,538 7,539 0.157,540 2.667,541 2.563,542 1.253,543 0.938,544 0.469,545 0.396,546 0.275,547 0.147,548 8708,549 29663,550 1.925,551 44.9,552 3,553 11,556 4,558 4,560 1.698,561 1.77,562 3.545,563 1.771,565 1,569 89.2,570 1.82,571 3.709,572 4.545,573 5.028,574 5.11,575 5.11,576 3.087,577 4.431,578 4.718,579 3.776,580 1325.44,581 8.182,582 17885.4,584 1,586 1,587 275.121,588 1.632,589 4.655,590 0.25,591 0.009,592 0.07,593 0.069,594 0.034,595 0.03,596 0.015,597 0.014,598 0.011,599 0.007,600 0.509,602 1,603 1.891,604 136.69,605 0.014,606 -0.006,607 0.143,608 -0.067,609 -0.214,610 0.039,611 0.294,612 0.13,613 0.116,614 0.065,615 0.371,616 0.026,617 -0.156,618 0.026,619 0.087,620 0.074,621 -0.095,622 0.016,623 0.12,624 -0.056,625 0.066,626 -0.102,627 0.167,628 0.023,629 -0.313,630 0.189,631 -0.084,632 0.156,633 -0.275,634 0.064,635 0.077,636 -0.046,637 -0.062,638 -0.067,639 0.086,640 -0.048,641 -0.071,642 0.052,643 -0.078,644 0.015,645 -0.132,646 -0.022,647 -0.059,648 -0.009,649 0.047,650 0.066,651 -0.048,652 0.066,653 4.961,654 5.452,655 0.444,656 29.907,657 1.017,658 1.13,659 3.045,660 9.272,661 0.673,662 3.367,663 3.664,664 3.784,665 4.007,666 4.078,667 4.111,668 4.078,669 4.174,670 4.111,671 4.127,672 7.294,673 0.637,674 411.95,675 3.367,676 4.89,677 5.687,678 6.553,679 7.371,680 8.247,681 9.077,682 9.961,683 10.798,684 11.688,685 6.1,686 2,694 1,699 7,704 5,706 12,718 1,719 1,720 49,723 15,724 2,725 28,727 50,728 18,729 12,730 5,731 7,735 2,736 2,737 1,739 1,741 1,748 2,749 13,750 5,754 3,757 1,759 2,762 1,763 1,765 1,768 22,769 7,770 4,771 9,772 2,775 3,780 1,781 4,789 2,807 2,813 2,815 1,817 1,818 1,821 27,822 2,826 1,828 4,830 2,839 1,840 8.2,843 2,845 2,847 15.25,848 8.676,849 5.986,850 2.707,851 2.344,852 1.348,853 0.955,854 7.922,855 9.086,856 3.638,857 4.234,858 4.62,859 5.143,860 5.529,861 5.654,862 5.785,863 6.054,864 6.096,865 6.391,866 1,867 37,868 10.258,870 4.51,871 8.057,872 18.51,874 14.526,877 2.557,878 69.028,880 1,881 1,882 211.88,883 115.299,884 82.58,885 39.149,886 63.858,888 7.75,889 107.549,890 314.887,891 82.58,892 8.825,893 77.562,894 74.084,895 44.313,896 55.055,897 1.899,898 211.88,899 39.149,900 211.88,901 190.129,902 63.858,903 46.898,905 164.795,906 110.943,909 103.172,910 86.957,911 46.898,913 211.88,914 146.438,915 154.447,917 7.75,918 211.88,919 32.39,920 75.159,922 185.587,923 211.88,924 146.438,925 154.447,927 0.575,928 0.302,929 0.159,930 0.078,931 15,932 8,933 0.18,934 9,936 1,937 3.857,938 207.497,940 12,941 124.382,944 1,945 21.507,946 9.945,947 7.031,949 146.438,950 11.039,955 1.488,957 65.794,958 512.765,959 37,962 -4.044,964 24.904,967 3.893,968 0.066,969 49.851,970 55.349,971 0.324,972 0.661,973 0.81,974 0.895,975 0.91,976 0.91,977 4.86,978 1.414,979 5.7,980 3.401,981 4.344,982 4.92,983 3.298,984 6.506,985 4.201,986 6.097,987 1.155,988 7.263,989 3.207,990 4.111,991 5.027,992 0.623,993 7.703,994 3.832,995 7.441,996 1.023,997 8.949,998 2.842,999 5.974,1000 7.208,1001 5.518,1002 10.735,1003 5.67,1004 8.829,1005 0.288,1006 10.717,1007 2.13,1008 6.538,1009 8.115,1010 1.024,1011 12.825,1012 6.07,1013 10.255,1014 -0.086,1015 12.542,1016 0.625,1017 7.963,1018 9.872,1019 7.902,1020 15.508,1021 7.465,1022 11.71,1023 -0.257,1024 14.411,1025 -0.244,1026 8.901,1027 11.134,1028 1.382,1029 17.912,1030 8.24,1031 13.188,1032 -0.353,1033 16.313,1034 -0.62,1035 10.177,1036 12.748,1037 10.303,1038 20.504,1039 9.459,1040 3.436,1041 -0.488,1042 18.24,1043 -0.874,1044 11.281,1045 14.17,1046 1.73,1047 23.01,1048 10.416,1049 2.778,1050 12.878,1051 20.185,1052 -1.155,1053 12.513,1054 15.736,1055 12.705,1056 25.577,1057 11.567,1058 2.377,1059 8.204,1060 22.145,1061 4.744,1062 13.688,1063 17.228,1064 2.077,1065 28.115,1066 12.609,1067 2.236,1068 7.093,1069 24.115,1070 3.816,1071 14.911,1072 18.781,1073 15.107,1074 30.674,1075 13.735,1076 2.054,1077 5.827,1078 26.092,1079 3.384,1080 16.116,1081 20.306,1082 2.426,1083 33.224,1084 14.818,1085 1.882,1086 5.213,1087 28.076,1088 2.902,1089 17.34,1090 21.856,1091 17.51,1092 35.781,1093 15.937,1094 1.644,1095 5.182,1096 30.064,1097 2.588,1098 18.559,1099 23.395,1100 2.777,1101 38.334,1102 17.039,1103 8891,1104 16654,1105 17.682,1106 32.955,1107 40.561,1108 43.468,1109 42.026,1110 40.744,1111 40.575,1112 53.465,1113 11.026,1114 113.207,1115 37.713,1116 5.787,1117 7.26,1118 7.227,1119 5.431,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 16.707,1126 1.449,1127 1.552,1128 1.501,1129 1.455,1130 1.449,1131 1.909,1132 0.394,1133 4.043,1134 1.347,1135 4.079,1136 4.045,1137 4.737,1138 4.057,1139 7.721,1140 3.982,1141 3.896,1142 3.913,1143 3.885,1144 3.83,1145 6.999,1146 3.826,1147 3.721,1148 3.793,1149 3.839,1150 3.552,1151 5.323,1152 3.545,1153 3.585,1154 3.562,1155 3.595,1156 3.506,1157 4.919,1158 3.424,1159 3.468,1160 3.532,1161 3.34,1162 3.196,1163 4.861,1164 3.226,1165 3.188,1166 3.262,1167 3.285,1168 3.011,1169 4.659,1170 2.998,1171 3.056,1172 3.142,1173 3.016,1174 2.82,1175 4.432,1176 2.826,1177 2.879,1178 2.922,1179 2.89,1180 2.798,1181 4.336,1182 2.77,1183 0.175,1184 0.188,1185 0.264,1186 0.155,1187 0.123,1188 4.888,1189 0.169,1190 5.26,1191 0.119,1192 7.4,1193 0.46,1194 4.345,1195 0.11,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.954,1202 1.97,1203 2.011,1204 2.034,1205 1.266,1206 2.054,1207 1.878,1208 1.86,1209 1.954,1210 1.96,1211 1.15,1212 1.979,1213 1.692,1214 1.627,1215 1.931,1216 1.893,1217 1.099,1218 1.904,1219 1.387,1220 1.441,1221 1.605,1222 1.693,1223 0.746,1224 1.678,1225 1.375,1226 1.293,1227 1.511,1228 1.548,1229 0.592,1230 1.588,1231 1.18,1232 1.11,1233 1.381,1234 1.423,1235 0.474,1236 1.448,1237 1.03,1238 0.942,1239 1.15,1240 1.305,1241 0.225,1242 1.345,1243 0.868,1244 0.824,1245 1.069,1246 1.057,1247 0.168,1248 1.064,1249 4.043,1251 5.342,1253 6.819,1255 8.39,1257 10.015,1259 1.82,1260 5.959,1263 10.517,1265 2.497,1267 10.89,1273 31.206,1274 89.2,1275 181.764,1276 222.714,1277 246.366,1278 250.366,1279 250.366,1280 73.677,1281 6.743,1282 117,1283 125.38,1284 12,1285 12.229,1286 4,1287 3.322,1288 58.687,1289 115,1290 134,1291 0.244,1292 203.986,1293 356.84,1294 489.485,1295 7268,1296 2,1297 19.864,1298 0.736,1299 0.61,1300 20.614,1301 16.463,1302 12.776,1303 0.456,1304 0.359,1305 8.295,1306 11.241,1307 7.935,1308 6.628,1309 13.885,1310 10.053,1311 11.991,1312 0.316,1313 0.204,1314 13.643,1315 7.734,1316 8.212,1317 0.191,1318 0.121,1319 9.723,1320 5.2,1321 7.012,1322 0.13,1323 0.068,1324 8.74,1325 3.687,1326 4.703,1327 0.081,1328 0.037,1329 5.741,1330 2.148,1331 0.392,1332 91.742,1333 0.238,1334 26.5,1335 0.644,1336 132,1337 462.276,1338 200.617,1339 490.028,1340 640.82,1341 448,1342 147,1343 410.143,1344 224.227,1345 460.751,1346 664.73,1347 429,1348 4.31}
{0 CHEMBL287910,1 1.787,2 13.25,3 4.172,4 17.406,5 109.731,6 8.192,7 0.414,8 4.033,9 4.137,10 3.807,11 3.571,12 5.136,13 3.528,14 4.557,15 4.707,16 4.073,17 3.909,18 5.917,19 3.844,20 4.772,21 4.963,22 4.201,23 4.037,24 5.867,25 3.929,26 4.819,27 5.011,28 4.2,29 3.966,30 6.115,31 3.883,32 4.762,33 4.96,34 3.917,35 3.878,36 5.907,37 3.8,38 4.675,39 4.87,40 3.897,41 3.905,42 5.866,43 3.802,44 4.723,45 4.94,46 3.787,47 3.92,48 5.757,49 3.787,50 4.685,51 4.911,52 3.805,53 3.843,54 5.745,55 3.708,56 0.15,57 0.734,58 13.146,59 5.246,60 25.598,61 6.041,62 0.566,63 1.079,64 21.006,65 8.677,66 78.459,67 10.458,68 0.495,69 1.247,70 34.942,71 10.985,72 56.422,73 12.77,74 0.823,75 1.206,76 39.703,77 11.4,78 96.367,79 13.139,80 0.752,81 1.135,82 32.299,83 9.734,84 92.293,85 11.284,86 0.658,87 1.123,88 29.177,89 9.79,90 73.191,91 11.943,92 0.515,93 1.138,94 31.295,95 10.323,96 78.436,97 12.971,98 0.585,99 1.084,100 29.761,101 9.795,102 70.527,103 12.513,105 45,106 39,107 0.3,108 0.614,109 0.764,110 0.858,111 0.871,112 0.871,113 3.373,114 1.092,115 -4.5,116 -4.43,117 -4.17,120 36.5,121 1,122 3,126 2,140 7,141 1,142 4,154 1,158 2,159 2,160 2,165 8,167 3,168 6,170 2,171 2,172 1,175 2,176 9,180 1,182 7,190 4,194 1,195 19,200 2,203 4,205 2,207 5,212 2,215 5,217 2,219 3,220 5,225 2,227 12,229 2,231 2,239 10,245 8,247 2,248 2,253 9,258 4,266 3,270 1414,271 18.145,272 18.145,273 18.145,274 18.145,275 18.145,276 15.941,277 19.643,278 11.108,279 18.732,280 14.36,281 14.36,282 14.36,283 14.36,284 14.36,285 11.106,286 21.443,287 5.36,288 15.384,289 3.914,290 2.042,291 1.152,292 0.591,293 0.515,294 0.515,295 4.036,298 1,301 1,302 1,303 754,304 4.416,307 214.238,313 2.179,314 40.443,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 61.833,326 371,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.168,337 3.242,338 5.785,339 3.74,340 2.778,341 3.816,342 1.2,343 8.204,344 2.668,345 3.832,346 2.971,347 5.541,348 3.302,349 2.377,350 3.384,351 0.86,352 7.093,353 2.165,354 3.659,355 2.815,356 4.97,357 3.145,358 2.236,359 2.902,360 0.129,361 5.827,362 2.036,363 3.345,364 2.565,365 4.73,366 2.99,367 2.058,368 2.588,370 5.212,371 1.913,372 3.247,373 2.343,374 4.659,375 2.843,376 1.882,377 2.498,379 5.184,380 1.792,381 2.864,382 1.927,383 4.1,384 2.709,385 1.728,386 2.022,388 3.553,389 1.688,390 2.775,391 1.814,392 3.796,393 2.354,394 1.414,395 1.779,397 3.208,398 1.27,399 2.658,400 1.556,401 3.603,402 2.175,403 1.223,404 1.712,406 2.843,407 1.158,408 2.266,409 1.467,410 3.337,411 2.14,412 1.153,413 1.259,415 2.523,416 1.128,417 1.647,418 0.916,419 3.167,420 1.509,421 0.59,422 0.613,424 1.243,425 0.538,426 1.208,427 0.78,428 2.837,429 0.872,430 -0.063,431 -0.068,433 -0.141,434 -0.058,435 1.097,436 0.292,437 2.651,438 0.829,439 -0.088,440 -0.105,442 -0.246,443 -0.073,444 1.086,445 0.203,446 2.373,447 0.583,448 -0.258,449 -0.332,451 -0.622,452 -0.185,453 1,454 -0.125,455 2.308,456 0.548,457 -0.417,458 -0.515,460 -1.041,461 -0.411,462 13.581,463 0.485,464 0.81,465 0.029,466 34.75,467 1.241,468 17.5,469 0.625,470 17.25,471 0.616,472 24.06,473 0.859,474 32.019,475 0.616,476 27.039,477 0.966,478 6.754,479 0.241,480 6.521,481 0.233,482 0.197,483 0.061,484 0.221,490 0.698,491 1.287,492 0.741,493 1.224,494 0.837,495 0.975,496 0.677,497 0.975,498 0.688,499 0.93,500 0.463,501 0.961,502 1.137,503 1.009,504 0.905,505 0.968,506 0.867,507 0.956,508 1.073,509 1.014,510 1.081,511 1.168,512 0.998,513 0.956,514 1.657,515 0.811,516 0.945,517 0.808,518 1.583,519 0.867,520 0.904,521 0.941,522 0.949,523 1.003,524 0.856,525 0.979,526 1.04,527 0.959,528 1.008,529 0.979,530 1.199,531 1.048,532 0.812,533 0.966,534 0.852,535 0.979,536 0.793,537 1.034,538 7,539 0.107,540 2.667,541 2.563,542 1.253,543 0.938,544 0.469,545 0.427,546 0.226,547 0.187,548 9913,549 32632,550 1.928,551 46.2,552 5,553 11,556 4,558 4,560 1.706,561 1.778,562 3.626,563 1.733,565 1,569 92.918,570 1.787,571 3.659,572 4.548,573 5.109,574 5.186,575 5.186,576 3.128,577 4.352,578 4.77,579 3.867,580 1461.78,581 8.279,582 20574.4,584 1,586 1,587 296.423,588 1.607,589 4.711,590 0.241,591 0.006,592 0.068,593 0.067,594 0.033,595 0.029,596 0.014,597 0.015,598 0.008,599 0.009,600 0.491,602 1,603 2.021,604 144.313,605 0.021,606 -0.007,607 0.144,608 -0.064,609 -0.201,610 0.036,611 0.3,612 0.108,613 0.111,614 0.048,615 0.375,616 0.01,617 -0.128,618 0.025,619 0.103,620 0.076,621 -0.072,622 0.029,623 0.139,624 -0.051,625 0.083,626 -0.09,627 0.183,628 0.032,629 -0.31,630 0.129,631 -0.061,632 0.131,633 -0.252,634 0.063,635 0.078,636 0.073,637 -0.05,638 0.014,639 0.085,640 0.007,641 -0.141,642 -0.011,643 -0.098,644 -0.018,645 -0.179,646 -0.047,647 0.073,648 -0.021,649 0.028,650 -0.031,651 0.003,652 -0.039,653 4.957,654 5.478,655 0.429,656 33.071,657 1.014,658 1.13,659 3.272,660 10.709,661 0.668,662 3.401,663 3.689,664 3.807,665 4.025,666 4.094,667 4.127,668 4.094,669 4.19,670 4.111,671 4.159,672 7.735,673 0.629,674 425.98,675 3.401,676 4.92,677 5.714,678 6.575,679 7.391,680 8.264,681 9.092,682 9.973,683 10.809,684 11.696,685 5.8,686 2,694 1,699 7,704 5,706 12,718 1,719 1,720 52,723 15,724 2,725 29,727 53,728 19,729 12,730 5,731 7,735 2,736 2,737 1,739 1,741 1,748 3,749 13,750 6,754 3,757 1,759 2,762 1,763 1,765 1,768 24,769 7,770 4,771 9,772 2,775 3,780 1,781 4,789 2,807 2,813 2,815 1,817 1,818 1,821 28,822 2,826 1,828 5,830 2,839 1,840 7.7,843 2,845 2,847 15.75,848 9.176,849 6.236,850 2.957,851 2.33,852 1.342,853 0.952,854 8.573,855 9.138,856 3.664,857 4.248,858 4.63,859 5.149,860 5.533,861 5.658,862 5.788,863 6.052,864 6.081,865 6.377,866 0.889,867 38,868 10.636,870 4.652,871 8.019,872 19.327,874 15.193,877 2.519,878 70.528,881 1,882 235.422,883 117.833,884 82.58,885 39.149,886 63.858,888 7.75,889 110.083,890 338.429,891 82.58,892 8.825,893 80.096,894 74.084,895 44.313,896 55.055,897 1.899,898 235.422,899 39.149,900 235.422,901 192.663,902 63.858,903 46.898,905 188.338,906 110.943,909 105.707,910 86.957,911 46.898,913 235.422,914 146.438,915 156.982,917 7.75,918 235.422,919 34.925,920 75.159,922 185.587,923 235.422,924 146.438,925 156.982,927 0.572,928 0.3,929 0.157,930 0.077,931 15,932 8,933 0.189,934 10,936 1,937 3.978,938 215.892,940 12,941 130.606,944 1,945 22.496,946 10.67,947 7.634,949 146.438,950 11.103,955 1.541,957 65.794,958 538.842,959 38,962 -4.04,964 24.956,967 3.917,968 0.093,969 52.734,970 58.764,971 0.313,972 0.642,973 0.798,974 0.896,975 0.91,976 0.91,977 4.883,978 1.414,979 5.72,980 3.553,981 4.369,982 4.934,983 3.298,984 6.518,985 4.231,986 6.113,987 1.223,988 7.277,989 3.208,990 4.111,991 5.027,992 0.623,993 7.703,994 3.832,995 7.452,996 1.153,997 8.958,998 2.843,999 5.989,1000 7.213,1001 5.518,1002 10.737,1003 5.69,1004 8.837,1005 0.59,1006 10.722,1007 2.523,1008 6.538,1009 8.115,1010 1.024,1011 12.825,1012 6.07,1013 10.26,1014 -0.063,1015 12.546,1016 1.243,1017 7.97,1018 9.873,1019 7.902,1020 15.508,1021 7.476,1022 11.713,1023 -0.088,1024 14.413,1025 -0.141,1026 8.901,1027 11.134,1028 1.382,1029 17.912,1030 8.24,1031 13.19,1032 -0.258,1033 16.314,1034 -0.246,1035 10.179,1036 12.748,1037 10.303,1038 20.504,1039 9.465,1040 3.436,1041 -0.417,1042 18.24,1043 -0.622,1044 11.281,1045 14.17,1046 1.73,1047 23.01,1048 10.416,1049 2.778,1050 12.878,1051 20.185,1052 -1.041,1053 12.514,1054 15.736,1055 12.705,1056 25.577,1057 11.569,1058 2.377,1059 8.204,1060 22.145,1061 4.744,1062 13.688,1063 17.228,1064 2.077,1065 28.115,1066 12.609,1067 2.236,1068 7.093,1069 24.115,1070 3.816,1071 14.911,1072 18.781,1073 15.107,1074 30.674,1075 13.736,1076 2.058,1077 5.827,1078 26.092,1079 3.384,1080 16.116,1081 20.306,1082 2.426,1083 33.224,1084 14.818,1085 1.882,1086 5.212,1087 28.076,1088 2.902,1089 17.34,1090 21.856,1091 17.51,1092 35.781,1093 15.937,1094 1.728,1095 5.184,1096 30.064,1097 2.588,1098 18.559,1099 23.395,1100 2.777,1101 38.334,1102 17.039,1103 10097,1104 18597,1105 18.375,1106 34.716,1107 41.872,1108 44.741,1109 43.297,1110 41.949,1111 41.751,1112 54.633,1113 11.026,1114 115.534,1115 38.896,1116 5.805,1117 7.26,1118 7.264,1119 5.431,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 17.235,1126 1.444,1127 1.543,1128 1.493,1129 1.447,1130 1.44,1131 1.884,1132 0.38,1133 3.984,1134 1.341,1135 4.079,1136 4.046,1137 4.737,1138 4.058,1139 7.721,1140 3.982,1141 3.896,1142 3.913,1143 3.885,1144 3.831,1145 6.999,1146 3.826,1147 3.746,1148 3.815,1149 3.84,1150 3.593,1151 5.323,1152 3.582,1153 3.587,1154 3.611,1155 3.612,1156 3.509,1157 4.919,1158 3.425,1159 3.521,1160 3.536,1161 3.398,1162 3.272,1163 4.862,1164 3.294,1165 3.253,1166 3.333,1167 3.285,1168 3.03,1169 4.659,1170 3.031,1171 3.126,1172 3.208,1173 3.085,1174 2.939,1175 4.432,1176 2.932,1177 2.88,1178 2.931,1179 2.943,1180 2.799,1181 4.336,1182 2.77,1183 0.169,1184 0.181,1185 0.255,1186 0.15,1187 0.118,1188 4.888,1189 0.164,1190 5.26,1191 0.115,1192 7.4,1193 0.444,1194 4.345,1195 0.107,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.954,1202 1.97,1203 2.016,1204 2.034,1205 1.322,1206 2.055,1207 1.878,1208 1.86,1209 1.969,1210 1.962,1211 1.151,1212 1.982,1213 1.73,1214 1.667,1215 1.952,1216 1.912,1217 1.101,1218 1.93,1219 1.448,1220 1.442,1221 1.686,1222 1.738,1223 0.915,1224 1.726,1225 1.383,1226 1.367,1227 1.519,1228 1.548,1229 0.596,1230 1.588,1231 1.211,1232 1.136,1233 1.461,1234 1.499,1235 0.479,1236 1.513,1237 1.133,1238 1.049,1239 1.186,1240 1.356,1241 0.431,1242 1.402,1243 0.868,1244 0.824,1245 1.146,1246 1.106,1247 0.168,1248 1.132,1249 4.078,1251 5.371,1253 6.841,1255 8.405,1257 10.026,1259 1.83,1260 5.97,1263 10.536,1265 3.668,1267 10.954,1273 32.733,1274 92.918,1275 190.259,1276 236.507,1277 265.668,1278 269.668,1279 269.668,1280 78.657,1281 6.808,1282 117,1283 125.38,1284 12,1285 12.239,1286 4,1287 3.322,1288 62.321,1289 127,1290 148,1291 0.234,1292 213.578,1293 374.14,1294 512.89,1295 8094,1296 1.9,1297 20.571,1298 0.735,1299 0.613,1300 21.321,1301 17.171,1302 13.276,1303 0.458,1304 0.364,1305 8.795,1306 11.741,1307 8.425,1308 7.044,1309 14.385,1310 10.553,1311 12.344,1312 0.317,1313 0.207,1314 13.997,1315 8.087,1316 8.462,1317 0.192,1318 0.124,1319 9.973,1320 5.45,1321 7.189,1322 0.131,1323 0.07,1324 8.917,1325 3.864,1326 4.828,1327 0.082,1328 0.038,1329 5.866,1330 2.254,1331 0.38,1332 94.742,1333 0.233,1334 27.487,1335 0.609,1336 136,1337 466.276,1338 204.617,1339 494.19,1340 646.58,1341 452,1342 151,1343 414.143,1344 228.227,1345 464.913,1346 670.49,1347 433,1348 4.097}
{0 CHEMBL28849,1 1.809,2 8.727,3 3.535,4 12.498,5 96.036,6 9.929,7 0.667,8 3.675,9 3.759,10 3.616,11 3.439,12 4.905,13 3.333,14 4.084,15 4.182,16 4.049,17 3.825,18 5.302,19 3.681,20 4.205,21 4.329,22 4.008,23 3.826,24 5.42,25 3.688,26 4.289,27 4.434,28 4.11,29 3.884,30 5.421,31 3.689,32 4.215,33 4.372,34 3.919,35 3.771,36 5.338,37 3.59,38 4.108,39 4.267,40 3.714,41 3.596,42 5.306,43 3.424,44 4.021,45 4.2,46 3.414,47 3.488,48 5.15,49 3.306,50 3.969,51 4.192,52 3.307,53 3.375,54 4.941,55 3.169,56 0.068,57 0.5,58 4.92,59 3.114,60 13.179,61 3.153,62 0.097,63 0.799,64 16.679,65 6.611,66 15.065,67 6.2,68 0.146,69 0.889,70 11.948,71 6.041,72 22.928,73 6.018,74 0.195,75 1.047,76 29.102,77 9.512,78 22.125,79 7.817,80 0.169,81 0.896,82 15.491,83 7.052,84 20.364,85 7.488,86 0.242,87 0.892,88 23.009,89 7.628,90 22.61,91 6.504,92 0.143,93 0.769,94 14.664,95 5.779,96 22.986,97 5.562,98 0.119,99 0.675,100 17.7,101 6.59,102 18.689,103 7.147,105 21,106 34,107 0.327,108 0.733,109 0.834,110 0.894,111 0.894,112 0.894,113 3.147,114 1.16,115 -3.69,116 -3.66,117 -3.48,120 42.9,125 1,140 5,141 2,142 1,144 1,146 1,147 1,148 1,153 1,156 1,158 1,159 1,160 1,165 5,168 3,172 1,173 2,175 1,176 9,182 3,187 6,190 5,192 2,195 3,200 3,203 5,205 1,207 1,210 1,212 2,215 4,217 1,222 1,223 2,225 3,227 6,229 1,236 1,239 6,250 3,253 3,256 1,263 6,266 2,268 2,270 616,271 14.748,272 14.748,273 14.748,274 14.748,275 14.748,276 12.766,277 7.998,278 8.548,279 15.528,280 11.781,281 11.781,282 11.781,283 11.781,284 11.781,285 8.689,286 6.497,287 3.972,288 12.984,289 3.321,290 1.082,291 0.525,292 0.193,293 0.193,294 0.193,295 3.822,300 1,301 1,302 1,303 406,304 2.739,306 119.887,307 72.538,313 1.413,314 18.817,316 1,317 1,318 1,319 1,320 0.4,322 0.83,323 1,324 0.75,325 46.5,326 192,327 4.513,328 4.362,329 6.59,330 4.06,331 3.146,332 4.23,333 2.95,334 10.537,335 2.892,336 4.257,337 3.058,338 6.173,339 3.837,340 2.88,341 3.902,342 0.6,343 9.19,344 2.75,345 3.905,346 2.927,347 5.826,348 3.455,349 2.531,350 3.419,352 7.851,353 2.319,354 3.653,355 2.699,356 5.221,357 3.206,358 2.274,359 2.996,361 6.363,362 2.121,363 3.301,364 2.481,365 4.979,366 2.807,367 1.953,368 2.558,370 5.672,371 1.637,372 2.817,373 2.193,374 4.281,375 2.337,376 1.41,377 1.942,379 3.832,380 1.287,381 2.649,382 1.651,383 3.866,384 2.129,385 1.195,386 1.678,388 2.847,389 1.098,390 2.591,391 1.416,392 3.66,393 2.009,394 1.089,395 1.567,397 2.546,398 0.987,399 2.24,400 1.152,401 3.466,402 1.602,403 0.747,404 1.106,406 2.103,407 0.621,408 2.129,409 0.771,410 3.267,411 1.46,412 0.629,413 0.941,415 1.6,416 0.514,417 1.485,418 0.637,419 2.741,420 1.067,421 0.309,422 0.355,424 0.456,425 0.231,426 0.943,427 0.238,428 2.457,429 0.533,430 -0.4,431 -0.507,433 -0.891,434 -0.367,435 0.691,436 -0.057,437 2.17,438 0.261,439 -0.704,440 -0.913,442 -1.974,443 -0.66,444 0.497,445 -0.364,446 2,447 -0.053,448 -0.94,449 -1.154,451 -2,452 -0.781,453 0.353,454 -0.69,455 2,456 -0.1,457 -1,458 -1.229,460 -2.436,461 -0.9,462 11.533,463 0.524,464 0.592,465 0.027,466 29.75,467 1.352,468 16.5,469 0.75,470 13.25,471 0.602,472 17.978,473 0.817,474 22.067,475 0.63,476 18.327,477 0.833,478 5.326,479 0.242,480 5.253,481 0.239,482 0.142,484 0.347,490 1.07,491 0.734,492 0.738,493 0.616,494 1.155,495 0.642,496 0.622,497 0.956,498 0.95,499 0.97,500 0.476,501 0.814,502 1.105,503 1.036,504 0.88,505 0.891,506 1.105,507 0.928,508 1.022,509 1.148,510 1.215,511 1.178,512 0.891,513 1.021,514 0.689,515 1.082,516 0.933,517 1.008,518 0.653,519 1.041,520 1.024,521 1.115,522 1.499,523 1.426,524 0.88,525 1.135,526 1.061,527 1.059,528 1.233,529 1.129,530 1.135,531 1.232,532 0.678,533 0.841,534 0.954,535 0.957,536 0.673,537 0.956,538 5,539 0.083,540 2.667,541 1.444,542 1.462,543 0.729,544 0.376,545 0.26,546 0.192,547 0.14,548 4724,549 16028,550 2.043,551 37.1,553 8,554 1,556 4,560 1.646,561 1.886,562 3.148,563 1.914,565 1,567 1,569 63.306,570 1.809,571 4.047,572 4.605,573 4.936,574 4.936,575 4.936,576 2.556,577 4.061,578 4.43,579 3.292,580 760.376,581 7.615,582 8293.24,583 1,584 1,585 1,586 1,587 179.525,588 1.495,589 4.376,590 0.208,591 0.01,592 0.078,593 0.045,594 0.047,595 0.027,596 0.016,597 0.014,598 0.012,599 0.01,600 0.469,601 0.17,602 1,603 0.964,604 100.649,605 -0.219,606 0.238,607 0.017,608 0.201,609 -0.283,610 0.148,611 0.081,612 0.021,613 0.062,614 0.036,615 0.155,616 0.085,617 -0.138,618 -0.059,619 -0.007,620 0.007,621 -0.142,622 -0.06,623 -0.107,624 -0.095,625 -0.019,626 -0.046,627 -0.097,628 -0.048,629 0.136,630 -0.138,631 0.045,632 -0.029,633 0.08,634 -0.073,635 0.011,636 -0.037,637 -0.279,638 -0.281,639 0.048,640 -0.152,641 -0.274,642 -0.037,643 -0.307,644 -0.201,645 -0.24,646 -0.298,647 0.062,648 0.043,649 0.049,650 0.051,651 0.079,652 0.142,653 1.587,654 3.581,655 0.727,656 17.273,657 1.008,658 1.101,659 2.461,660 6.055,661 0.778,662 3.219,663 3.555,664 3.829,665 4.094,666 4.263,667 4.369,668 4.382,669 4.466,670 4.533,671 4.533,672 5.414,673 0.714,674 347.52,675 3.219,676 4.762,677 5.617,678 6.503,679 7.381,680 8.272,681 9.157,682 10.05,683 10.94,684 11.834,685 8.6,686 1,694 1,695 1,699 6,700 1,703 2,704 7,706 16,717 1,720 35,723 17,724 1,725 24,727 37,728 15,729 13,730 2,731 4,732 1,735 3,736 3,749 14,750 1,754 1,758 1,763 1,764 1,765 1,768 13,769 4,770 4,771 7,772 3,775 3,776 1,780 1,781 1,788 2,789 1,807 1,813 3,814 1,815 3,817 1,821 22,822 1,827 1,831 1,836 1,837 1,840 2.9,842 1,847 11.667,848 6.483,849 4.861,850 1.74,851 3.035,852 1.443,853 0.995,854 4.613,855 9.888,856 3.526,857 4.159,858 4.771,859 5.376,860 5.799,861 6.188,862 6.519,863 6.919,864 7.296,865 7.585,866 0.833,867 32,868 8.07,870 3.417,871 7.811,872 15.295,874 12.511,877 2.311,878 50.833,882 105.94,883 170.739,884 81.355,886 42.683,888 94.775,889 75.964,890 148.623,891 81.355,892 7.19,893 32.897,894 55.03,895 62.726,896 40.8,897 13.13,898 188.944,900 105.94,901 157.319,902 42.683,903 94.775,905 105.94,906 42.683,909 68.255,910 72.278,911 16.786,912 94.775,913 105.94,914 124.038,915 170.739,918 105.94,919 108.519,920 62.221,922 124.038,923 105.94,924 124.038,925 170.739,927 0.584,928 0.344,929 0.184,930 0.102,931 17,932 8,933 0.108,934 4,936 1,937 3.384,938 172.732,940 16,941 98.107,942 3,945 15.654,946 6.484,947 3.266,949 124.038,950 10.949,951 4.663,954 3.057,955 5.709,957 107.252,958 400.717,959 33,963 7.58,968 0.08,969 35.28,970 38.54,971 0.353,972 0.789,973 0.898,974 0.962,975 0.962,976 0.962,977 4.754,978 1.089,979 5.617,980 2.847,981 4.234,982 4.844,983 2.951,984 6.441,985 4.061,986 5.984,987 0.747,988 7.188,989 2.546,990 3.892,991 4.677,993 7.361,994 3.663,995 7.302,996 0.629,997 8.855,998 2.103,999 5.844,1000 7.066,1001 5.029,1002 10.445,1003 5.539,1004 8.657,1005 0.309,1006 10.578,1007 1.6,1008 6.312,1009 7.73,1011 12.178,1012 5.929,1013 10.043,1014 -0.4,1015 12.335,1016 0.456,1017 7.744,1018 9.563,1019 7.185,1020 14.773,1021 7.31,1022 11.449,1023 -0.704,1024 14.117,1025 -0.891,1026 8.564,1027 10.606,1029 16.84,1030 8.042,1031 12.872,1032 -0.94,1033 15.915,1034 -1.974,1035 9.8,1036 12.208,1037 9.348,1038 19.266,1039 9.227,1040 3.146,1041 -1,1042 17.725,1043 -2,1044 10.78,1045 13.438,1047 21.48,1048 10.118,1049 2.88,1050 10.537,1051 19.546,1052 -2.436,1053 11.941,1054 14.938,1055 11.511,1056 23.845,1057 11.22,1058 2.531,1059 9.19,1060 21.374,1061 4.23,1062 12.997,1063 16.262,1065 26.127,1066 12.189,1067 2.274,1068 7.851,1069 23.209,1070 3.902,1071 14.131,1072 17.717,1073 13.675,1074 28.472,1075 13.256,1076 1.953,1077 6.363,1078 25.049,1079 3.419,1080 15.223,1081 19.089,1083 30.784,1084 14.263,1085 1.41,1086 5.672,1087 26.893,1088 2.996,1089 16.349,1090 20.525,1091 15.838,1092 33.125,1093 15.316,1094 1.195,1095 3.832,1096 28.741,1097 2.558,1098 17.46,1099 21.923,1101 35.454,1102 16.342,1103 4685,1104 8741,1105 15.72,1106 27.222,1107 36.83,1108 39.304,1109 37.991,1110 36.138,1111 36.329,1112 49.389,1113 7.1,1114 105.993,1115 32.913,1116 5.211,1117 6.362,1118 6.143,1119 5.208,1120 5.146,1121 7.23,1122 5.9,1123 17.453,1124 4.892,1125 11.783,1126 1.535,1127 1.638,1128 1.583,1129 1.506,1130 1.514,1131 2.058,1132 0.296,1133 4.416,1134 1.371,1135 4.017,1136 4.026,1137 4.38,1138 4.048,1139 6.471,1140 3.976,1141 3.866,1142 3.875,1143 4.144,1144 3.864,1145 5.879,1146 3.824,1147 3.599,1148 3.622,1149 3.787,1150 3.606,1151 4.888,1152 3.523,1153 3.311,1154 3.38,1155 3.557,1156 3.207,1157 4.792,1158 3.131,1159 3.114,1160 3.203,1161 3.149,1162 2.933,1163 4.56,1164 2.907,1165 2.936,1166 2.971,1167 2.905,1168 2.749,1169 4.377,1170 2.752,1171 2.784,1172 2.827,1173 2.772,1174 2.738,1175 3.843,1176 2.687,1177 2.466,1178 2.638,1179 2.691,1180 2.376,1181 3.582,1182 2.247,1183 0.188,1184 0.182,1185 0.275,1186 0.169,1187 0.131,1188 4.513,1189 0.176,1190 4.362,1191 0.123,1192 6.59,1193 0.439,1194 4.06,1195 0.121,1196 3.146,1197 4.23,1198 2.95,1199 10.537,1200 2.892,1201 1.898,1202 1.878,1203 1.995,1204 1.981,1205 1.086,1206 1.987,1207 1.62,1208 1.609,1209 1.667,1210 1.741,1211 0.869,1212 1.735,1213 1.498,1214 1.502,1215 1.534,1216 1.567,1217 0.713,1218 1.614,1219 1.309,1220 1.293,1221 1.415,1222 1.418,1223 0.555,1224 1.448,1225 1.185,1226 1.124,1227 1.357,1228 1.364,1229 0.491,1230 1.422,1231 0.883,1232 0.839,1233 1.136,1234 1.135,1235 0.164,1236 1.131,1237 0.858,1238 0.801,1239 0.971,1240 1.041,1241 0.1,1242 1.108,1243 0.814,1244 0.778,1245 0.928,1246 0.882,1248 0.954,1249 3.892,1251 5.22,1252 3.045,1253 6.727,1254 5.352,1255 8.314,1256 7.424,1257 9.944,1259 2.003,1263 5.581,1264 9.581,1268 1.629,1273 24.974,1274 63.306,1275 141.651,1276 161.16,1277 172.77,1278 172.77,1279 172.77,1280 33.268,1281 6.853,1282 82.99,1283 164.77,1284 16,1285 12.361,1286 4.17,1287 3.322,1288 34.448,1289 71,1290 62,1291 0.244,1292 166.828,1293 274.48,1294 398.821,1295 7548,1297 15.69,1298 0.713,1299 0.641,1300 16.751,1301 14.11,1302 10.58,1303 0.441,1304 0.387,1305 6.565,1306 9.064,1307 6.082,1308 5.064,1309 12,1310 9.278,1311 9.673,1312 0.284,1313 0.221,1314 11.404,1315 7.503,1316 8.016,1317 0.178,1318 0.138,1319 10.233,1320 6.205,1321 6.572,1322 0.111,1323 0.08,1324 8.799,1325 4.713,1326 5.056,1327 0.072,1328 0.048,1329 7.132,1330 3.378,1331 0.376,1332 79.242,1333 0.252,1334 21.518,1335 0.689,1336 116,1337 330.021,1338 195.25,1339 393.269,1340 534.65,1341 366,1342 137,1343 348.676,1344 201.952,1345 401.14,1346 586.3,1347 374,1348 4.509}
{0 CHEMBL289951,1 1.754,2 12.448,3 4.759,4 22.652,5 113.61,6 8.659,7 0.581,8 4.011,9 4.092,10 3.848,11 3.6,12 5.114,13 3.564,14 4.534,15 4.67,16 4.127,17 3.937,18 5.883,19 3.896,20 4.719,21 4.868,22 4.272,23 4.091,24 5.854,25 4.002,26 4.817,27 4.983,28 4.253,29 4.044,30 6.127,31 3.961,32 4.816,33 5.009,34 3.969,35 3.941,36 5.946,37 3.858,38 4.679,39 4.875,40 3.936,41 3.902,42 5.864,43 3.817,44 4.638,45 4.821,46 3.847,47 3.909,48 5.747,49 3.804,50 4.596,51 4.795,52 3.885,53 3.888,54 5.658,55 3.784,56 0.114,57 0.685,58 11.006,59 5.119,60 17.115,61 5.473,62 0.549,63 1.071,64 18.503,65 7.772,66 65.259,67 8.829,68 0.455,69 1.251,70 29.476,71 10.585,72 36.931,73 11.34,74 0.737,75 1.298,76 36.361,77 12.203,78 78.896,79 13.306,80 0.75,81 1.255,82 33.091,83 11.223,84 85.959,85 12.107,86 0.648,87 1.176,88 29.101,89 9.93,90 67.028,91 11.365,92 0.581,93 1.094,94 27.36,95 9.588,96 69.355,97 11.017,98 0.431,99 1.088,100 25.522,101 9.253,102 47.688,103 11.271,105 26,106 43,107 0.293,108 0.59,109 0.763,110 0.852,111 0.866,112 0.866,113 3.407,114 1.034,115 -3.95,116 -3.9,117 -3.7,120 42,121 1,125 1,126 2,140 9,141 1,142 5,143 2,165 6,167 3,168 8,176 9,181 1,182 5,190 4,194 2,195 17,203 2,207 9,215 2,219 2,220 5,227 7,230 2,231 3,239 11,245 3,253 9,257 2,258 5,266 6,270 1391,271 19.093,272 19.093,273 19.093,274 19.093,275 19.093,276 16.551,277 20.67,278 11.399,279 19.721,280 15.321,281 15.321,282 15.321,283 15.321,284 15.321,285 11.53,286 27.023,287 5.435,288 16.4,289 3.89,290 2.116,291 1.081,292 0.55,293 0.47,294 0.47,295 4.085,298 1,301 1,302 1,303 761,304 4,307 326.439,313 1.988,314 36.196,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 63.333,326 361,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.169,337 3.242,338 6.018,339 3.749,340 2.797,341 3.816,342 0.86,343 8.538,344 2.67,345 4.045,346 3.047,347 5.784,348 3.717,349 2.763,350 3.537,351 0.8,352 8.203,353 2.625,354 3.832,355 2.953,356 5.541,357 3.302,358 2.376,359 3.384,361 7.092,362 2.165,363 3.347,364 2.558,365 4.97,366 2.983,367 2.052,368 2.59,370 5.828,371 1.906,372 3.247,373 2.339,374 4.73,375 2.843,376 1.882,377 2.498,379 5.212,380 1.791,381 3.144,382 1.957,383 4.311,384 2.759,385 1.821,386 2.329,388 4.264,389 1.703,390 2.864,391 1.907,392 4.1,393 2.354,394 1.414,395 2.022,397 3.209,398 1.27,399 2.659,400 1.557,401 3.604,402 2.214,403 1.279,404 1.712,406 2.847,407 1.189,408 2.564,409 1.469,410 3.545,411 2.142,412 1.153,413 1.577,415 2.821,416 1.129,417 2.5,418 1.096,419 3.247,420 1.984,421 1,422 1.5,424 2.136,425 0.983,426 1.99,427 1,428 3.219,429 1.736,430 0.824,431 0.936,433 1.876,434 0.746,435 1.209,436 0.782,437 3.165,438 0.837,439 -0.085,440 -0.103,442 -0.241,443 -0.071,444 1.097,445 0.292,446 2.656,447 0.78,448 -0.142,449 -0.158,451 -0.348,452 -0.129,453 1.057,454 0.145,455 2.596,456 0.572,457 -0.258,458 -0.333,460 -0.624,461 -0.186,462 14.181,463 0.489,464 0.824,465 0.028,466 41,467 1.414,468 22.5,469 0.776,470 18.5,471 0.638,472 22.146,473 0.764,474 31.419,475 0.628,476 31.743,477 1.095,478 8.143,479 0.281,480 5.705,481 0.197,482 0.168,483 0.059,484 0.24,490 0.601,491 1.379,492 0.68,493 1.24,494 0.689,495 0.957,496 0.853,497 0.972,498 0.689,499 0.784,500 0.538,501 0.807,502 1.136,503 1.074,504 0.945,505 1.016,506 0.856,507 1.012,508 0.958,509 1.117,510 1.113,511 1.291,512 0.969,513 1.101,514 1.594,515 0.908,516 0.916,517 0.861,518 1.543,519 0.916,520 1.014,521 0.915,522 0.932,523 0.928,524 0.854,525 0.885,526 1.175,527 0.876,528 1.084,529 0.921,530 1.358,531 1.014,532 0.784,533 0.968,534 0.84,535 0.969,536 0.817,537 0.979,538 7,539 0.136,540 3.333,541 2.875,542 1.284,543 1.035,544 0.488,545 0.462,546 0.272,547 0.204,548 11209,549 35676,550 2.005,551 42,552 3,553 16,555 2,560 1.717,561 1.861,562 3.57,563 -0.717,569 87.715,570 1.754,571 3.528,572 4.563,573 5.094,574 5.174,575 5.174,576 3.04,577 4.375,578 4.831,579 3.774,580 1532.32,581 8.4,582 21554.8,584 1,587 282.193,588 1.573,589 4.772,590 0.226,591 0.006,592 0.078,593 0.067,594 0.031,595 0.03,596 0.014,597 0.014,598 0.008,599 0.008,600 0.483,601 0.33,602 1,603 0.605,604 149.551,605 0.086,606 -0.236,607 0.164,608 -0.169,609 -0.156,610 -0.028,611 0.179,612 0.103,613 0.093,614 0.126,615 0.317,616 0.088,617 -0.107,618 -0.035,619 0.042,620 0.006,621 -0.065,622 -0.067,623 0.195,624 -0.154,625 0.019,626 -0.227,627 0.221,628 -0.118,629 -0.262,630 0.008,631 -0.036,632 0.084,633 -0.22,634 0.036,635 0.031,636 0.087,637 -0.013,638 0.057,639 0.114,640 0.083,641 -0.134,642 0.082,643 -0.151,644 0.029,645 -0.223,646 -0.046,647 0.02,648 -0.001,649 0.04,650 -0.017,651 -0.025,652 0.019,653 4.966,654 5.546,655 0.621,656 29.479,657 1.015,658 1.117,659 2.717,660 7.382,661 0.699,662 3.466,663 3.784,664 3.97,665 4.19,666 4.277,667 4.263,668 4.248,669 4.344,670 4.304,671 4.407,672 7.355,673 0.664,674 432.96,675 3.466,676 5.004,677 5.826,678 6.698,679 7.533,680 8.411,681 9.25,682 10.131,683 10.974,684 11.858,685 4,691 1,695 1,699 11,700 1,704 6,706 18,716 1,718 1,719 1,720 50,723 20,724 2,725 31,727 52,728 21,729 17,730 5,731 7,735 3,736 3,737 1,741 1,749 17,750 4,754 2,757 1,759 2,768 21,769 6,771 8,772 2,775 2,780 1,781 4,785 1,789 3,813 3,815 1,817 2,818 1,821 29,826 1,828 2,830 2,834 1,839 1,840 8,843 2,845 2,847 15.583,848 9.543,849 6.347,850 2.762,851 2.98,852 1.419,853 0.97,854 7.01,855 10.102,856 3.761,857 4.376,858 4.838,859 5.368,860 5.777,861 5.803,862 5.944,863 6.177,864 6.261,865 6.612,866 1,867 43,868 11.012,870 4.878,871 7.915,872 20.12,874 16.037,877 2.415,878 70.028,881 1,882 247.193,883 156.531,884 19.91,885 39.149,886 63.858,888 7.75,889 148.781,890 350.2,891 19.91,892 17.222,893 6.698,894 93.036,895 84.641,896 62.245,898 223.651,899 39.149,900 247.193,901 168.691,902 63.858,903 46.898,905 247.193,906 63.858,909 33.618,910 118.287,911 63.684,913 247.193,914 83.768,915 195.68,917 7.75,918 247.193,919 28.179,920 123.727,922 119.792,923 247.193,924 83.768,925 195.68,927 0.582,928 0.328,929 0.174,930 0.084,931 19,932 9,933 0.154,934 8,936 1,937 4.056,938 240.374,940 18,941 134.881,944 1,945 21.436,946 9.484,947 5.857,949 83.768,950 18.444,951 4.002,955 2.567,958 526.641,959 42,962 -4.049,964 25.092,969 50.749,970 55.85,971 0.311,972 0.625,973 0.809,974 0.903,975 0.917,976 0.917,977 4.987,978 1.414,979 5.838,980 4.264,981 4.466,982 5.063,983 3.24,984 6.658,985 4.33,986 6.22,987 1.279,988 7.41,989 3.209,990 4.205,991 5.075,992 0.325,993 7.825,994 3.943,995 7.558,996 1.153,997 9.101,998 2.847,999 6.111,1000 7.343,1001 5.508,1002 10.864,1003 5.825,1004 8.939,1005 1,1006 10.869,1007 2.821,1008 6.661,1009 8.171,1010 0.268,1011 12.913,1012 6.223,1013 10.357,1014 0.824,1015 12.689,1016 2.136,1017 8.101,1018 9.979,1019 7.901,1020 15.583,1021 7.632,1022 11.805,1023 -0.085,1024 14.548,1025 1.876,1026 9.019,1027 11.185,1028 0.188,1029 17.96,1030 8.397,1031 13.277,1032 -0.142,1033 16.438,1034 -0.241,1035 10.295,1036 12.823,1037 10.303,1038 20.54,1039 9.617,1040 3.436,1041 -0.258,1042 18.351,1043 -0.348,1044 11.38,1045 14.208,1046 0.125,1047 23.033,1048 10.558,1049 2.797,1050 12.878,1051 20.282,1052 -0.624,1053 12.604,1054 15.783,1055 12.705,1056 25.593,1057 11.702,1058 2.763,1059 8.538,1060 22.228,1061 4.744,1062 13.764,1063 17.254,1064 0.082,1065 28.126,1066 12.728,1067 2.376,1068 8.203,1069 24.186,1070 3.816,1071 14.977,1072 18.809,1073 15.107,1074 30.681,1075 13.844,1076 2.052,1077 7.092,1078 26.152,1079 3.537,1080 16.171,1081 20.322,1082 0.054,1083 33.229,1084 14.912,1085 1.882,1086 5.828,1087 28.126,1088 3.384,1089 17.387,1090 21.872,1091 17.51,1092 35.784,1093 16.021,1094 1.821,1095 5.212,1096 30.106,1097 2.59,1098 18.597,1099 23.406,1100 0.035,1101 38.336,1102 17.112,1103 10902,1104 19722,1105 20.167,1106 34.949,1107 45.981,1108 48.377,1109 47.137,1110 45.805,1111 45.596,1112 61.291,1113 9.968,1114 129.809,1115 42.539,1116 5.792,1117 7.26,1118 7.202,1119 5.437,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 15.477,1126 1.483,1127 1.561,1128 1.521,1129 1.478,1130 1.471,1131 1.977,1132 0.322,1133 4.187,1134 1.372,1135 4.08,1136 4.048,1137 4.737,1138 4.058,1139 7.721,1140 3.983,1141 3.912,1142 3.946,1143 3.886,1144 3.833,1145 6.999,1146 3.829,1147 3.87,1148 3.899,1149 3.859,1150 3.76,1151 4.931,1152 3.769,1153 3.591,1154 3.597,1155 3.804,1156 3.511,1157 4.899,1158 3.427,1159 3.516,1160 3.534,1161 3.383,1162 3.314,1163 4.856,1164 3.318,1165 3.204,1166 3.281,1167 3.285,1168 3.016,1169 4.437,1170 3.003,1171 3.087,1172 3.172,1173 3.037,1174 2.872,1175 4.336,1176 2.863,1177 2.879,1178 2.925,1179 2.91,1180 2.799,1181 4.165,1182 2.77,1183 0.158,1184 0.17,1185 0.239,1186 0.14,1187 0.111,1188 4.888,1189 0.153,1190 5.26,1191 0.107,1192 7.4,1193 0.415,1194 4.345,1195 0.1,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.954,1202 1.97,1203 2.009,1204 2.037,1205 1.158,1206 2.055,1207 1.879,1208 1.86,1209 1.965,1210 1.998,1211 1.128,1212 2.001,1213 1.839,1214 1.797,1215 1.952,1216 1.949,1217 1.088,1218 1.963,1219 1.488,1220 1.447,1221 1.741,1222 1.721,1223 0.879,1224 1.731,1225 1.383,1226 1.412,1227 1.538,1228 1.548,1229 0.605,1230 1.588,1231 1.191,1232 1.119,1233 1.485,1234 1.451,1235 0.583,1236 1.479,1237 1.097,1238 1.006,1239 1.181,1240 1.332,1241 0.474,1242 1.384,1243 0.886,1244 0.824,1245 1.15,1246 1.062,1247 0.218,1248 1.107,1249 4.143,1251 5.46,1253 6.965,1255 8.557,1257 10.193,1259 3.796,1260 5.994,1265 1.061,1267 11.083,1271 2.038,1273 33.185,1274 87.715,1275 176.39,1276 228.154,1277 254.683,1278 258.683,1279 258.683,1280 62.455,1281 7.121,1282 68.73,1283 77.11,1284 18,1285 12.4,1286 4.392,1287 3.585,1288 52.633,1289 129,1290 126,1291 0.197,1292 212.72,1293 369.2,1294 510.797,1295 12362,1296 2,1297 20.855,1298 0.719,1299 0.609,1300 21.605,1301 17.651,1302 13.848,1303 0.447,1304 0.345,1305 8.913,1306 12.282,1307 8.484,1308 7.081,1309 14.958,1310 10.683,1311 12.912,1312 0.3,1313 0.194,1314 14.564,1315 8.347,1316 9.795,1317 0.188,1318 0.113,1319 11.305,1320 5.883,1321 8.341,1322 0.128,1323 0.063,1324 10.069,1325 4.103,1326 5.749,1327 0.081,1328 0.033,1329 6.787,1330 2.371,1331 0.315,1332 98.305,1333 0.223,1334 27.97,1335 0.522,1336 148,1337 499.296,1338 216.145,1339 525.331,1340 697.18,1341 484,1342 169,1343 455.918,1344 247.448,1345 508.96,1346 736.4,1347 474,1348 4.31}
{0 CHEMBL290025,1 1.652,2 12.108,3 3.611,4 13.036,5 148.176,6 7.645,7 0.39,8 4.355,9 4.465,10 4.08,11 3.948,12 5.334,13 3.88,14 4.954,15 5.121,16 4.43,17 4.387,18 6.061,19 4.291,20 5.276,21 5.493,22 4.515,23 4.562,24 6.232,25 4.426,26 5.379,27 5.607,28 4.555,29 4.55,30 6.424,31 4.414,32 5.329,33 5.54,34 4.568,35 4.479,36 6.559,37 4.361,38 5.294,39 5.515,40 4.544,41 4.473,42 6.401,43 4.351,44 5.259,45 5.459,46 4.548,47 4.5,48 6.411,49 4.395,50 5.274,51 5.457,52 4.54,53 4.533,54 6.481,55 4.431,56 0.106,57 1.079,58 18.668,59 7.467,60 20.229,61 9.185,62 0.438,63 1.826,64 33.702,65 12.949,66 67.427,67 16.588,68 0.463,69 2.357,70 52.683,71 18.486,72 69.044,73 23.342,74 0.799,75 2.485,76 63.269,77 19.643,78 108.19,79 24.238,80 1.066,81 2.312,82 63.168,83 18.523,84 174.549,85 21.936,86 0.814,87 2.248,88 58.288,89 18.086,90 118.813,91 21.638,92 0.648,93 2.249,94 57.71,95 18.174,96 103.343,97 20.961,98 0.816,99 2.292,100 55.044,101 17.419,102 144.801,103 20.397,105 28,106 59,107 0.257,108 0.591,109 0.786,110 0.866,111 0.876,112 0.876,113 3.643,114 1.117,115 -3.02,116 -3.02,117 -2.91,120 38,121 1,122 5,123 2,126 4,128 1,140 7,141 1,142 2,144 1,147 1,153 1,156 1,165 12,167 2,168 5,171 2,173 4,176 12,182 7,185 2,187 6,190 7,195 10,198 3,199 1,200 6,203 6,206 6,207 7,212 4,215 7,219 2,220 7,223 1,225 5,227 4,231 17,234 2,236 4,239 6,245 17,248 2,250 1,253 6,258 11,262 1,263 3,266 15,270 3038,271 24.927,272 24.927,273 24.927,274 24.927,275 24.927,276 22.67,277 23.868,278 14.614,279 25.501,280 20.229,281 20.229,282 20.229,283 20.229,284 20.229,285 16.621,286 23.666,287 6.886,288 21.216,289 4.498,290 2.35,291 1.101,292 0.585,293 0.518,294 0.518,295 4.345,302 1,303 977,304 4.528,306 88.271,307 462.297,310 172.862,311 180.688,313 1.636,314 52.594,317 0.75,318 0.83,319 0.83,320 0.9,321 0.5,322 0.67,323 1,324 0.78,325 80,326 448,327 4.904,328 4.711,329 7.436,330 4.395,331 3.469,332 4.757,333 1.984,334 13.076,335 3.192,336 4.462,337 3.833,338 6.425,339 3.974,340 3.027,341 4.402,342 0.596,343 9.858,344 2.898,345 4.192,346 3.053,347 6.243,348 3.867,349 2.924,350 3.751,351 0.4,352 9.441,353 2.729,354 4.071,355 3.037,356 6.222,357 3.772,358 2.798,359 3.266,360 0.076,361 9.181,362 2.706,363 3.557,364 2.648,365 5.454,366 3.483,367 2.491,368 2.829,370 7.16,371 2.47,372 3.432,373 2.434,374 5.251,375 3.161,376 2.184,377 2.503,379 6.562,380 2.148,381 3.294,382 2.19,383 5.127,384 3.1,385 2.141,386 2.403,388 6.104,389 2.019,390 3.032,391 2.129,392 4.909,393 2.747,394 1.811,395 2.298,397 5.41,398 1.685,399 3.009,400 1.95,401 4.708,402 2.609,403 1.638,404 2.144,406 4.759,407 1.586,408 2.935,409 1.818,410 4.414,411 2.462,412 1.532,413 2.056,415 4.312,416 1.431,417 2.863,418 1.532,419 4.164,420 2.437,421 1.445,422 1.978,424 3.55,425 1.408,426 2.788,427 1.497,428 3.699,429 2.346,430 1.363,431 1.838,433 2.961,434 1.33,435 2.26,436 1.491,437 3.596,438 2.065,439 1.123,440 1.171,442 2.275,443 1.047,444 2.024,445 1.38,446 3.414,447 1.984,448 1,449 1,451 2.273,452 0.983,453 2,454 1.077,455 3.413,456 1.791,457 0.829,458 0.938,460 1.955,461 0.79,462 18.1,463 0.489,464 1.008,465 0.027,466 42.5,467 1.149,468 19,469 0.514,470 23.5,471 0.635,472 42.329,473 1.144,474 41.3,475 0.582,476 35.051,477 0.947,478 7.353,479 0.199,480 10.482,481 0.283,482 0.101,483 0.046,484 0.298,490 0.652,491 1.298,492 0.823,493 1.117,494 0.669,495 0.981,496 0.657,497 1.15,498 0.86,499 0.978,500 0.559,501 0.998,502 0.841,503 1.104,504 1.001,505 1.055,506 0.776,507 1.017,508 1.169,509 1.033,510 1.094,511 1.06,512 1.234,513 0.975,514 1.348,515 1.047,516 1.09,517 1.04,518 1.464,519 0.968,520 1.338,521 0.988,522 1.049,523 0.967,524 1.447,525 0.88,526 1.432,527 1.052,528 1.265,529 1.103,530 1.513,531 0.902,532 1.626,533 1.044,534 1.279,535 1.06,536 1.704,537 1.001,538 8.5,539 0.33,540 4.667,541 3.417,542 2.369,543 1.622,544 1.24,545 0.826,546 0.673,547 0.365,548 20152,549 49746,550 2.093,551 47.9,552 6,553 16,556 3,557 2,558 7,560 1.789,561 1.956,562 3.508,563 0.809,569 117.276,570 1.652,571 3.8,572 5.049,573 5.565,574 5.632,575 5.632,576 2.968,577 4.757,578 5.178,579 3.712,580 2472.41,581 9.162,582 39682.2,587 436.632,588 1.531,589 5.134,590 0.207,591 0.007,592 0.079,593 0.056,594 0.04,595 0.028,596 0.021,597 0.013,598 0.011,599 0.006,600 0.468,601 0.33,602 0.75,603 0.813,604 201.048,605 0.031,606 -0.077,607 0.16,608 0.012,609 -0.096,610 0.055,611 0.161,612 -0.02,613 0.06,614 0.032,615 0.156,616 -0.005,617 -0.003,618 -0.056,619 0.015,620 -0.024,621 -0.002,622 -0.017,623 -0.019,624 -0.013,625 0.014,626 -0.025,627 -0.051,628 -0.004,629 0.072,630 -0.033,631 0.034,632 -0.012,633 0.067,634 -0.019,635 -0.037,636 0.027,637 0.082,638 0.074,639 -0.07,640 0.082,641 -0.124,642 0.014,643 -0.044,644 0.016,645 -0.071,646 0.074,647 -0.209,648 0.03,649 -0.16,650 -0.005,651 -0.125,652 -0.05,653 4.905,654 6.734,655 0.676,656 39.895,657 1.002,658 1.125,659 1.785,660 3.187,661 0.67,662 3.738,663 4.094,664 4.369,665 4.654,666 4.883,667 4.949,668 5.112,669 5.209,670 5.303,671 5.361,672 7.354,673 0.623,674 542.79,675 3.738,676 5.303,677 6.163,678 7.06,679 7.938,680 8.839,681 9.725,682 10.628,683 11.518,684 12.422,685 5.6,687 1,690 1,692 1,695 1,698 2,699 7,700 1,703 1,704 4,706 16,714 1,720 71,723 19,724 2,725 41,727 75,728 27,729 13,730 5,731 7,735 5,736 7,741 2,745 3,746 2,748 6,749 14,750 13,751 2,754 3,757 1,759 3,763 1,768 34,769 8,770 3,771 10,772 2,775 4,780 0.6,781 4,782 1,788 1,789 4,792 1,793 1,801 1,811 1,813 3,815 2,817 1,821 37,824 1,827 1,828 9,829 2,833 3,834 1,836 1,840 5.6,841 1,843 3,847 18.917,848 12.517,849 8.014,850 4.478,851 2.687,852 1.332,853 0.976,854 8.154,855 10.77,856 3.97,857 4.572,858 5.091,859 5.648,860 6.12,861 6.329,862 6.704,863 6.981,864 7.011,865 7.203,866 1,867 61,868 14.231,870 6.594,871 7.795,872 26.9,874 23.462,877 2.295,878 84.917,882 364.904,883 147.251,884 54.326,886 112.141,888 37.085,889 110.166,890 477.045,891 54.326,892 8.825,893 22.114,894 131.23,895 109.888,896 9.637,897 0.746,898 396.182,900 364.904,901 164.492,902 112.141,903 37.085,905 282.506,906 151.856,907 42.683,909 50.418,910 79.277,911 40.604,912 31.278,913 364.904,914 166.467,915 147.251,917 5.807,918 364.904,919 66.285,920 78.283,921 34.416,922 128.927,923 364.904,924 166.467,925 147.251,927 0.586,928 0.343,929 0.189,930 0.105,931 29,932 13,933 0.107,934 8,935 2,936 1.16,937 4.591,938 373.718,939 0.16,940 25,941 186.75,942 1,944 1,945 26.551,946 11.364,947 6.007,948 1.851,949 166.467,950 13.084,951 4.671,954 1.485,955 2.505,957 77.099,958 678.622,959 52,962 -3.988,964 41.166,968 -0.225,969 71.123,970 79.899,971 0.269,972 0.618,973 0.821,974 0.905,975 0.916,976 0.916,977 5.242,978 1.811,979 6.18,980 6.104,981 4.779,982 5.26,983 2.146,984 7.04,985 4.685,986 6.458,987 1.638,988 7.773,989 5.41,990 4.511,991 5.316,992 1.668,993 8.177,994 4.342,995 7.799,996 1.532,997 9.475,998 4.759,999 6.454,1000 7.533,1001 3.078,1002 11.255,1003 6.249,1004 9.181,1005 1.445,1006 11.246,1007 4.312,1008 7.004,1009 8.447,1010 3.205,1011 13.245,1012 6.702,1013 10.604,1014 1.363,1015 13.063,1016 3.55,1017 8.453,1018 10.209,1019 4.28,1020 15.919,1021 8.114,1022 12.055,1023 1.123,1024 14.914,1025 2.961,1026 9.367,1027 11.484,1028 4.673,1029 18.248,1030 8.923,1031 13.528,1032 1,1033 16.79,1034 2.275,1035 10.641,1036 13.094,1037 5.57,1038 20.821,1039 10.145,1040 3.469,1041 0.829,1042 18.687,1043 2.273,1044 11.717,1045 14.518,1046 6.097,1047 23.287,1048 11.119,1049 3.027,1050 13.076,1051 20.601,1052 1.955,1053 12.934,1054 16.076,1055 6.898,1056 25.841,1057 12.27,1058 2.924,1059 9.858,1060 22.528,1061 4.757,1062 14.083,1063 17.563,1064 7.497,1065 28.364,1066 13.321,1067 2.798,1068 9.441,1069 24.467,1070 4.402,1071 15.289,1072 19.105,1073 8.246,1074 30.92,1075 14.448,1076 2.491,1077 9.181,1078 26.416,1079 3.751,1080 16.473,1081 20.621,1082 8.884,1083 33.467,1084 15.538,1085 2.184,1086 7.16,1087 28.374,1088 3.266,1089 17.681,1090 22.16,1091 9.604,1092 36.029,1093 16.662,1094 2.141,1095 6.562,1096 30.338,1097 2.829,1098 18.885,1099 23.689,1100 10.263,1101 38.588,1102 17.773,1103 18940,1104 30009,1105 27.334,1106 47.557,1107 62.189,1108 63.683,1109 63.787,1110 61.701,1111 61.672,1112 77.444,1113 6.112,1114 182.663,1115 58.861,1116 5.904,1117 6.711,1118 7.206,1119 5.504,1120 5.469,1121 7.757,1122 3.451,1123 21.079,1124 5.192,1125 18.057,1126 1.517,1127 1.553,1128 1.556,1129 1.505,1130 1.504,1131 1.889,1132 0.149,1133 4.455,1134 1.436,1135 4.132,1136 4.134,1137 4.739,1138 4.105,1139 7.717,1140 4.042,1141 4.039,1142 4.05,1143 4.318,1144 4.035,1145 7.427,1146 3.98,1147 3.896,1148 3.95,1149 3.841,1150 3.758,1151 6.999,1152 3.755,1153 3.797,1154 3.812,1155 3.789,1156 3.704,1157 6.456,1158 3.644,1159 3.596,1160 3.64,1161 3.532,1162 3.477,1163 4.964,1164 3.464,1165 3.475,1166 3.512,1167 3.415,1168 3.371,1169 4.721,1170 3.324,1171 3.414,1172 3.452,1173 3.388,1174 3.258,1175 4.32,1176 3.244,1177 3.224,1178 3.253,1179 3.175,1180 3.088,1181 4.277,1182 3.06,1183 0.12,1184 0.115,1185 0.181,1186 0.107,1187 0.085,1188 4.904,1189 0.116,1190 4.711,1191 0.048,1192 7.436,1193 0.319,1194 4.395,1195 0.078,1196 3.469,1197 4.757,1198 1.984,1199 13.076,1200 3.192,1201 2.016,1202 2.011,1203 2.093,1204 2.105,1205 1.468,1206 2.127,1207 1.898,1208 1.88,1209 2.076,1210 2.046,1211 1.393,1212 2.058,1213 1.875,1214 1.822,1215 1.981,1216 1.964,1217 1.177,1218 1.979,1219 1.719,1220 1.697,1221 1.826,1222 1.877,1223 1.098,1224 1.907,1225 1.604,1226 1.565,1227 1.79,1228 1.749,1229 1.038,1230 1.775,1231 1.404,1232 1.383,1233 1.673,1234 1.648,1235 0.948,1236 1.663,1237 1.373,1238 1.343,1239 1.513,1240 1.508,1241 0.825,1242 1.554,1243 1.153,1244 1.104,1245 1.413,1246 1.376,1247 0.644,1248 1.429,1249 4.419,1251 5.765,1252 2.398,1253 7.305,1254 4.727,1255 8.932,1256 6.823,1257 10.605,1259 2.131,1264 9.272,1265 5.305,1266 6.057,1270 -0.156,1271 1.759,1273 44.221,1274 117.276,1275 269.78,1276 358.451,1277 395.122,1278 399.877,1279 399.877,1280 97.131,1281 8.083,1282 111.63,1283 148.25,1284 29,1285 12.944,1286 4.322,1287 3.585,1288 56.263,1289 152,1290 208,1291 0.166,1292 274.802,1293 476.22,1294 662.276,1295 36283,1297 25.993,1298 0.703,1299 0.612,1300 26.597,1301 22.653,1302 17.836,1303 0.435,1304 0.372,1305 13.018,1306 16.085,1307 12.538,1308 10.319,1309 19.065,1310 15.259,1311 16.639,1312 0.282,1313 0.221,1314 18.589,1315 13.012,1316 13.753,1317 0.176,1318 0.128,1319 15.581,1320 9.946,1321 11.753,1322 0.113,1323 0.075,1324 13.806,1325 7.78,1326 9.595,1327 0.073,1328 0.044,1329 11.527,1330 5.772,1331 0.257,1332 123.41,1333 0.191,1334 33.284,1335 0.469,1336 200,1337 547.033,1338 278.93,1339 567.212,1340 768.36,1341 526,1342 237,1343 514.04,1344 322.735,1345 570.877,1346 841.43,1347 538,1348 5.122}
{0 CHEMBL29205,1 1.771,2 9.391,3 3.786,4 14.335,5 100.805,6 9.514,7 0.64,8 3.746,9 3.834,10 3.655,11 3.484,12 4.926,13 3.379,14 4.188,15 4.304,16 4.07,17 3.859,18 5.327,19 3.719,20 4.248,21 4.37,22 4.045,23 3.876,24 5.397,25 3.743,26 4.366,27 4.507,28 4.15,29 3.963,30 5.447,31 3.772,32 4.368,33 4.549,34 3.967,35 3.873,36 5.369,37 3.686,38 4.239,39 4.409,40 3.775,41 3.699,42 5.348,43 3.526,44 4.17,45 4.366,46 3.538,47 3.608,48 5.251,49 3.423,50 4.12,51 4.348,52 3.373,53 3.506,54 4.983,55 3.276,56 0.04,57 0.543,58 5.999,59 3.515,60 9.444,61 3.818,62 0.159,63 0.878,64 20.182,65 7.56,66 18.881,67 7.034,68 0.13,69 0.932,70 13.599,71 6.418,72 17.397,73 6.692,74 0.173,75 1.116,76 29.866,77 9.917,78 17.508,79 8.669,80 0.175,81 1.032,82 19.929,83 8.467,84 16.707,85 9.495,86 0.235,87 0.986,88 25.143,89 8.439,90 22.014,91 7.929,92 0.162,93 0.891,94 16.696,95 6.469,96 25.552,97 6.675,98 0.128,99 0.794,100 23.489,101 8.233,102 16.184,103 8.702,105 26,106 35,107 0.315,108 0.707,109 0.826,110 0.881,111 0.881,112 0.881,113 3.189,114 1.16,115 -3.94,116 -3.89,117 -3.69,120 42.1,125 2,140 5,141 2,142 1,144 1,146 1,147 1,148 1,153 1,156 1,158 1,159 1,160 1,165 5,168 5,172 1,175 1,176 9,182 5,187 4,190 5,192 2,195 4,200 2,203 5,205 1,206 1,207 1,212 2,215 4,217 1,220 1,222 1,223 2,225 2,227 6,229 1,231 1,239 6,245 1,250 2,253 3,256 1,258 2,263 4,266 2,268 2,270 694,271 15.618,272 15.618,273 15.618,274 15.618,275 15.618,276 13.688,277 10.154,278 9.051,279 16.536,280 12.209,281 12.209,282 12.209,283 12.209,284 12.209,285 9.111,286 9.985,287 4.118,288 13.521,289 3.477,290 1.28,291 0.608,292 0.303,293 0.303,294 0.303,295 3.865,300 1,301 1,302 1,303 455,304 2.915,306 126.448,307 76.729,313 1.505,314 15.666,316 1,317 1,318 1,319 1,320 0.6,322 0.83,323 1,324 0.78,325 48.5,326 216,327 4.513,328 4.362,329 6.59,330 4.061,331 3.146,332 4.23,333 2.95,334 10.538,335 2.894,336 4.262,337 3.064,338 6.179,339 3.844,340 2.887,341 3.907,342 0.86,343 9.218,344 2.754,345 3.92,346 2.96,347 5.827,348 3.467,349 2.548,350 3.437,351 0.6,352 7.865,353 2.327,354 3.678,355 2.764,356 5.326,357 3.259,358 2.33,359 3.01,361 6.787,362 2.162,363 3.328,364 2.565,365 5.117,366 2.83,367 1.985,368 2.588,370 5.897,371 1.656,372 2.844,373 2.233,374 4.326,375 2.372,376 1.448,377 1.975,379 3.926,380 1.315,381 2.651,382 1.686,383 3.878,384 2.134,385 1.206,386 1.682,388 2.867,389 1.1,390 2.593,391 1.472,392 3.663,393 2.009,394 1.091,395 1.567,397 2.563,398 0.987,399 2.241,400 1.174,401 3.474,402 1.603,403 0.749,404 1.107,406 2.104,407 0.622,408 2.129,409 0.936,410 3.267,411 1.46,412 0.629,413 0.941,415 1.6,416 0.514,417 1.583,418 0.766,419 2.747,420 1.292,421 0.427,422 0.48,424 0.621,425 0.366,426 1.485,427 0.637,428 2.691,429 1.067,430 0.309,431 0.355,433 0.456,434 0.231,435 0.763,436 0.238,437 2.45,438 0.338,439 -0.628,440 -0.827,442 -1.395,443 -0.594,444 0.584,445 -0.364,446 2.169,447 0.14,448 -0.812,449 -1.029,451 -2,452 -0.738,453 0.497,454 -0.382,455 2,456 -0.053,457 -0.941,458 -1.165,460 -2.145,461 -0.796,462 12.033,463 0.523,464 0.554,465 0.024,466 30.5,467 1.326,468 16.5,469 0.717,470 14,471 0.609,472 19.438,473 0.845,474 23.367,475 0.615,476 19.08,477 0.83,478 5.57,479 0.242,480 5.547,481 0.241,482 0.15,484 0.332,490 0.984,491 0.841,492 0.727,493 0.699,494 1.15,495 0.723,496 1.109,497 0.863,498 0.941,499 0.875,500 0.596,501 0.729,502 1.115,503 1.034,504 0.876,505 0.886,506 1.049,507 0.903,508 1.01,509 1.197,510 1.212,511 1.206,512 0.966,513 1.084,514 0.63,515 1.03,516 0.862,517 0.951,518 0.58,519 0.996,520 0.931,521 1.157,522 1.389,523 1.376,524 0.768,525 1.136,526 1.121,527 0.969,528 1.118,529 0.993,530 1.549,531 1.13,532 0.682,533 0.917,534 1.171,535 1.131,536 0.653,537 1.022,538 5,539 0.119,540 2.667,541 1.444,542 1.502,543 0.792,544 0.376,545 0.301,546 0.192,547 0.14,548 5337,549 17155,550 2.041,551 39.5,553 11,554 1,556 3,560 1.658,561 1.89,562 3.236,563 1.075,565 1,569 67.308,570 1.771,571 3.968,572 4.64,573 4.945,574 4.945,575 4.945,576 2.682,577 4.35,578 4.494,579 3.368,580 852.171,581 7.743,582 9631.92,583 1,584 1,586 1,587 199.421,588 1.478,589 4.443,590 0.2,591 0.011,592 0.076,593 0.042,594 0.046,595 0.027,596 0.015,597 0.015,598 0.011,599 0.009,600 0.453,601 0.33,602 1,603 1.019,604 107.253,605 -0.125,606 0.146,607 0.043,608 0.133,609 -0.259,610 0.096,611 -0.035,612 0.128,613 0.097,614 0.157,615 0.159,616 0.194,617 -0.126,618 -0.039,619 0.007,620 0.022,621 -0.105,622 -0.031,623 -0.108,624 -0.144,625 -0.048,626 -0.097,627 -0.148,628 -0.131,629 0.16,630 -0.096,631 0.09,632 0.015,633 0.103,634 -0.009,635 0.061,636 -0.105,637 -0.22,638 -0.269,639 0.151,640 -0.155,641 -0.284,642 0.072,643 -0.219,644 -0.088,645 -0.355,646 -0.204,647 0.037,648 -0.004,649 -0.056,650 -0.04,651 0.085,652 0.077,653 1.568,654 2.616,655 0.696,656 18.979,657 1.004,658 1.104,659 2.71,660 7.345,661 0.763,662 3.258,663 3.584,664 3.871,665 4.127,666 4.304,667 4.419,668 4.443,669 4.522,670 4.605,671 4.615,672 5.659,673 0.697,674 361.55,675 3.258,676 4.796,677 5.652,678 6.535,679 7.415,680 8.304,681 9.191,682 10.082,683 10.973,684 11.866,685 7.9,686 1,694 1,695 1,699 6,700 1,703 2,704 7,706 16,718 1,720 38,723 17,724 1,725 25,727 40,728 16,729 13,730 2,731 4,732 1,735 3,736 3,749 14,750 2,754 1,758 1,763 1,765 1,768 15,769 4,770 3,771 7,772 3,775 3,776 1,780 1,781 1,788 2,789 1,807 1,813 3,814 1,815 3,817 2,821 23,822 1,830 1,831 1,836 1,837 1,840 2.6,845 1,847 12.167,848 7.45,849 5.194,850 1.899,851 3.058,852 1.439,853 1.004,854 5.142,855 10.018,856 3.555,857 4.174,858 4.796,859 5.397,860 5.826,861 6.222,862 6.563,863 6.953,864 7.341,865 7.634,866 1,867 34,868 8.431,870 3.496,871 7.688,872 16.128,874 12.987,877 2.188,878 50.333,882 141.253,883 186.866,884 81.355,886 11,888 94.775,889 92.091,890 152.253,891 81.355,892 18.073,893 32.897,894 55.03,895 20.043,896 57.043,897 13.13,898 224.257,900 141.253,901 173.446,902 11,903 94.775,905 141.253,906 11,909 68.255,910 88.405,911 16.786,912 94.775,913 141.253,914 92.355,915 186.866,918 141.253,919 113.762,920 73.104,922 92.355,923 141.253,924 92.355,925 186.866,927 0.577,928 0.349,929 0.186,930 0.103,931 17,932 8,933 0.125,934 5,936 1,937 3.473,938 182.886,940 16,941 104.042,942 3,945 16.618,946 7.116,947 3.492,949 92.355,950 11.861,951 4.752,954 3.129,955 6.661,957 64.569,958 420.474,959 34,963 7.616,968 0.098,969 38.164,970 41.956,971 0.338,972 0.756,973 0.884,974 0.942,975 0.942,976 0.942,977 4.779,978 1.091,979 5.645,980 2.867,981 4.263,982 4.86,983 3.025,984 6.469,985 4.083,986 6.001,987 0.749,988 7.216,989 2.563,990 3.892,991 4.677,993 7.394,994 3.663,995 7.317,996 0.629,997 8.883,998 2.104,999 5.872,1000 7.078,1001 5.036,1002 10.473,1003 5.558,1004 8.672,1005 0.427,1006 10.606,1007 1.6,1008 6.33,1009 7.74,1011 12.207,1012 5.943,1013 10.058,1014 0.309,1015 12.363,1016 0.621,1017 7.77,1018 9.574,1019 7.185,1020 14.795,1021 7.327,1022 11.465,1023 -0.628,1024 14.144,1025 0.456,1026 8.585,1027 10.617,1029 16.861,1030 8.057,1031 12.887,1032 -0.812,1033 15.941,1034 -1.395,1035 9.823,1036 12.218,1037 9.348,1038 19.282,1039 9.243,1040 3.146,1041 -0.941,1042 17.751,1043 -2,1044 10.801,1045 13.448,1047 21.494,1048 10.134,1049 2.887,1050 10.538,1051 19.569,1052 -2.145,1053 11.961,1054 14.947,1055 11.511,1056 23.857,1057 11.236,1058 2.548,1059 9.218,1060 21.396,1061 4.23,1062 13.016,1063 16.271,1065 26.137,1066 12.204,1067 2.33,1068 7.865,1069 23.229,1070 3.907,1071 14.149,1072 17.726,1073 13.675,1074 28.481,1075 13.271,1076 1.985,1077 6.787,1078 25.067,1079 3.437,1080 15.24,1081 19.098,1083 30.793,1084 14.277,1085 1.448,1086 5.897,1087 26.91,1088 3.01,1089 16.365,1090 20.534,1091 15.838,1092 33.132,1093 15.331,1094 1.206,1095 3.926,1096 28.757,1097 2.588,1098 17.474,1099 21.931,1101 35.46,1102 16.357,1103 5309,1104 9646,1105 16.414,1106 28.983,1107 37.817,1108 40.675,1109 39.296,1110 37.293,1111 37.51,1112 50.561,1113 8.82,1114 108.883,1115 33.853,1116 5.212,1117 6.362,1118 6.18,1119 5.209,1120 5.146,1121 7.23,1122 5.9,1123 17.454,1124 4.894,1125 12.266,1126 1.513,1127 1.627,1128 1.572,1129 1.492,1130 1.5,1131 2.022,1132 0.353,1133 4.355,1134 1.354,1135 4.019,1136 4.028,1137 4.38,1138 4.048,1139 5.879,1140 3.977,1141 3.869,1142 3.878,1143 4.144,1144 3.866,1145 4.941,1146 3.827,1147 3.606,1148 3.628,1149 3.797,1150 3.609,1151 4.799,1152 3.527,1153 3.315,1154 3.385,1155 3.557,1156 3.207,1157 4.752,1158 3.132,1159 3.232,1160 3.299,1161 3.149,1162 2.973,1163 4.442,1164 2.975,1165 3.112,1166 3.202,1167 3.08,1168 2.925,1169 4.301,1170 2.901,1171 2.801,1172 2.863,1173 2.823,1174 2.738,1175 3.843,1176 2.69,1177 2.722,1178 2.778,1179 2.691,1180 2.607,1181 3.584,1182 2.576,1183 0.181,1184 0.174,1185 0.264,1186 0.162,1187 0.126,1188 4.513,1189 0.169,1190 4.362,1191 0.118,1192 6.59,1193 0.422,1194 4.061,1195 0.116,1196 3.146,1197 4.23,1198 2.95,1199 10.538,1200 2.894,1201 1.901,1202 1.882,1203 1.998,1204 1.988,1205 1.097,1206 1.992,1207 1.62,1208 1.609,1209 1.667,1210 1.742,1211 0.869,1212 1.735,1213 1.498,1214 1.502,1215 1.576,1216 1.576,1217 0.713,1218 1.615,1219 1.325,1220 1.306,1221 1.534,1222 1.522,1223 0.591,1224 1.548,1225 1.191,1226 1.134,1227 1.411,1228 1.396,1229 0.545,1230 1.444,1231 1.166,1232 1.09,1233 1.353,1234 1.349,1235 0.488,1236 1.4,1237 0.858,1238 0.802,1239 1.084,1240 1.041,1241 0.165,1242 1.108,1243 0.823,1244 0.778,1245 0.964,1246 0.983,1247 0.102,1248 1.025,1249 3.932,1251 5.252,1252 3.045,1253 6.758,1254 5.352,1255 8.345,1256 7.424,1257 9.975,1259 3.681,1263 5.611,1267 5.27,1268 1.653,1273 26.501,1274 67.308,1275 150.792,1276 176.302,1277 187.911,1278 187.911,1279 187.911,1280 31.897,1281 6.96,1282 71.99,1283 153.77,1284 16,1285 12.393,1286 4.17,1287 3.322,1288 36.824,1289 78,1290 77,1291 0.238,1292 176.42,1293 291.78,1294 422.226,1295 8715,1297 16.397,1298 0.713,1299 0.655,1300 17.458,1301 15.071,1302 11.118,1303 0.445,1304 0.387,1305 6.928,1306 9.516,1307 6.391,1308 5.351,1309 12.538,1310 9.667,1311 9.842,1312 0.281,1313 0.22,1314 11.573,1315 7.685,1316 8.44,1317 0.18,1318 0.137,1319 10.657,1320 6.428,1321 6.794,1322 0.111,1323 0.079,1324 9.022,1325 4.831,1326 5.289,1327 0.072,1328 0.048,1329 7.365,1330 3.474,1331 0.368,1332 83.008,1333 0.247,1334 22.416,1335 0.666,1336 120,1337 345.607,1338 200.025,1339 403.223,1340 551.33,1341 378,1342 142,1343 360.191,1344 207.949,1345 413.504,1346 603.71,1347 384,1348 4.523}
{0 CHEMBL296455,1 1.406,2 8.65,3 2.893,4 8.371,5 82.379,6 7.343,7 0.545,8 3.672,9 3.792,10 3.24,11 3.278,12 4.786,13 3.245,14 4.165,15 4.337,16 3.584,17 3.658,18 5.24,19 3.609,20 4.351,21 4.526,22 3.596,23 3.774,24 5.429,25 3.691,26 4.443,27 4.676,28 3.42,29 3.717,30 5.43,31 3.59,32 4.345,33 4.592,34 3.299,35 3.552,36 5.387,37 3.429,38 4.134,39 4.373,40 3.13,41 3.358,42 5.189,43 3.254,44 3.881,45 4.088,46 2.912,47 3.194,48 4.892,49 3.077,50 3.817,51 4.084,52 2.774,53 3.024,54 4.67,55 2.883,56 0.025,57 0.497,58 7.141,59 3.18,60 4.939,61 4.225,62 0.141,63 0.806,64 12.905,65 5.117,66 12.345,67 6.99,68 0.086,69 0.928,70 15.676,71 6.698,72 15.485,73 8.969,74 0.128,75 0.985,76 18.694,77 7.546,78 24.404,79 10.416,80 0.124,81 0.856,82 17.535,83 7.028,84 29.897,85 9.616,86 0.15,87 0.702,88 14.248,89 5.345,90 28.913,91 7.192,92 0.08,93 0.563,94 10.296,95 4.156,96 16.066,97 5.616,98 0.131,99 0.528,100 10.339,101 4.08,102 11.305,103 5.877,105 11,106 31,107 0.255,108 0.564,109 0.669,110 0.77,111 0.808,112 0.808,113 3.058,114 0.893,115 -4.44,116 -4.37,117 -4.12,120 47.2,125 2,135 1,136 1,140 8,141 2,142 2,153 1,165 11,168 3,171 1,173 3,176 13,182 4,187 3,190 12,195 4,200 2,203 8,207 5,212 2,215 7,220 3,225 2,227 7,231 1,239 6,244 1,245 1,248 1,253 2,258 2,270 456,271 13.43,272 13.43,273 13.43,274 13.43,275 13.43,276 11.744,277 14.036,278 7.863,279 13.569,280 10.85,281 10.85,282 10.85,283 10.85,284 10.85,285 8.226,286 20.477,287 3.72,288 11.05,289 3.764,290 2.057,291 1.473,292 0.917,293 0.709,294 0.709,295 3.736,300 1,301 1,302 1,303 372,304 2.646,306 41.032,307 110.485,310 77.821,313 1.285,314 11.227,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 42,326 173,327 4.526,328 3.654,329 6.726,330 4.178,331 3.184,332 4.118,333 1.058,334 10.951,335 3.161,336 4.105,337 2.982,338 5.93,339 3.74,340 2.777,341 3.687,342 0.8,343 8.233,344 2.681,345 3.733,346 2.757,347 5.539,348 3.357,349 2.379,350 3.115,352 7.19,353 2.322,354 3.493,355 2.444,356 5.208,357 3.1,358 2.088,359 2.765,361 6.206,362 2.102,363 3.049,364 1.881,365 4.746,366 2.664,367 1.686,368 2.176,370 4.925,371 1.643,372 2.839,373 1.511,374 3.809,375 2.359,376 1.354,377 1.97,379 2.99,380 1.358,381 2.546,382 1.419,383 3.614,384 2.22,385 1.264,386 1.517,388 2.932,389 1.204,390 2.5,391 1,392 3.517,393 2,394 1,395 1.5,397 2.275,398 1,399 2.335,400 0.951,401 3.414,402 1.799,403 0.802,404 1.177,406 2.06,407 0.797,408 1.357,409 0.527,410 2.834,411 1.008,412 0.02,413 0.026,415 0.052,416 0.02,417 1.019,418 -0.027,419 2.341,420 0.609,421 -0.416,422 -0.576,424 -0.981,425 -0.421,426 0.694,427 -0.579,428 2,429 0.217,430 -0.781,431 -1,433 -1.94,434 -0.778,435 0.5,436 -0.6,437 2,438 0.018,439 -1,440 -1.069,442 -2,443 -0.9,444 0.499,445 -0.836,446 2,448 -1,449 -1.325,451 -2.431,452 -1,453 0.231,454 -1,455 1.803,456 -0.1,457 -1,458 -1.5,460 -3,461 -1.005,462 9.633,463 0.482,464 0.524,465 0.026,466 28.5,467 1.425,468 16,469 0.8,470 12.5,471 0.625,472 12.17,473 0.608,474 20.367,475 0.566,476 19.069,477 0.953,478 5.866,479 0.293,480 3.782,481 0.189,482 0.138,484 0.353,490 0.73,491 1.192,492 0.791,493 0.972,494 0.589,495 0.896,496 0.814,497 0.884,498 0.821,499 0.779,500 0.534,501 0.783,502 0.94,503 1.162,504 1.043,505 1.151,506 0.915,507 1.115,508 0.891,509 1.008,510 1.033,511 1.069,512 0.869,513 1.065,514 1.026,515 0.964,516 0.894,517 0.997,518 1.207,519 0.95,520 1.48,521 0.855,522 0.987,523 0.844,524 1.612,525 0.867,526 1.146,527 1.17,528 1.191,529 1.179,530 1.257,531 1.192,532 0.266,533 0.912,534 0.787,535 0.941,536 0.421,537 0.927,538 4,539 0.037,540 2.444,541 1.639,542 0.959,543 0.684,544 0.192,545 0.188,546 0.205,547 0.119,548 3797,549 9135,550 2.077,551 44.4,553 15,556 1,560 1.615,561 1.935,562 3.088,563 -0.37,565 1,567 1,569 50.63,570 1.406,571 3.113,572 3.697,573 4.253,574 4.461,575 4.461,576 2.528,577 3.922,578 4.294,579 3.232,580 614.056,581 7.324,582 6210.5,583 1,584 1,585 1,586 1,587 186.117,588 1.441,589 4.248,590 0.182,591 0.007,592 0.079,593 0.055,594 0.04,595 0.033,596 0.011,597 0.013,598 0.017,599 0.011,600 0.447,601 0.83,602 1,603 0.843,604 88.418,605 -0.019,606 -0.102,607 0.047,608 -0.012,609 -0.075,610 0.018,611 0.064,612 0.206,613 0.084,614 0.166,615 0.075,616 0.137,617 -0.064,618 -0.162,619 -0.138,620 -0.177,621 -0.031,622 -0.167,623 -0.043,624 -0.052,625 -0.071,626 -0.088,627 -0.011,628 -0.081,629 0.029,630 -0.06,631 0.108,633 0.063,634 0.052,635 -0.148,636 0.092,637 0.031,638 0.129,639 -0.086,640 0.103,641 -0.145,642 -0.196,643 -0.243,644 -0.21,645 -0.202,646 -0.235,647 0.428,648 0.038,649 0.206,650 0.04,651 0.119,652 0.081,653 1.706,654 5.023,655 0.75,656 13.96,657 0.992,658 1.114,659 3.211,660 10.312,661 0.689,662 3.135,663 3.466,664 3.738,665 3.989,666 4.19,667 4.19,668 4.263,669 4.369,670 4.344,671 4.29,672 5.161,673 0.651,674 264.35,675 3.135,676 4.673,677 5.525,678 6.405,679 7.279,680 8.163,681 9.044,682 9.931,683 10.815,684 11.704,685 5.6,691 1,692 1,699 8,704 4,706 12,716 1,720 36,723 14,724 2,725 22,727 38,728 17,729 12,730 4,731 8,732 3,735 3,736 4,749 15,750 2,754 2,759 1,761 1,763 2,764 1,765 1,768 16,769 3,770 1,771 3,775 2,780 0.667,781 1,788 1,789 2,792 1,800 1,805 1,806 1,813 2,817 2,821 20,829 1,834 1,840 2.8,843 1,847 10.333,848 7.117,849 4.361,850 2.026,851 2.967,852 1.442,853 1.008,854 3.227,855 9.688,856 3.434,857 4.025,858 4.615,859 5.169,860 5.725,861 5.934,862 6.326,863 6.722,864 7.034,865 7.244,866 0.833,867 30,868 7.366,870 3.095,871 7.675,872 14.143,874 11.502,877 2.175,878 43.5,879 0.001,882 176.567,883 121.854,884 21.135,886 25.145,889 121.854,890 201.711,891 21.135,892 16.793,893 18.011,894 85.286,895 29.85,896 18.195,898 176.567,900 176.567,901 142.989,902 25.145,905 176.567,906 25.145,909 18.011,910 115.502,911 9.476,913 176.567,914 46.28,915 121.854,918 176.567,919 19.775,920 105.203,921 18.011,922 25.145,923 176.567,924 46.28,925 121.854,927 0.586,928 0.343,929 0.181,930 0.099,931 16,932 7,933 0.053,934 2,935 1,936 1.133,937 3.253,938 150.609,939 0.133,940 15,941 80.439,945 12.795,946 5.044,947 2.447,949 46.28,950 15.899,955 4.017,957 18.011,958 344.7,959 30,964 12.023,966 1.931,968 0.682,969 35.716,970 40.112,971 0.272,972 0.602,973 0.715,974 0.823,975 0.863,976 0.863,977 4.663,978 1,979 5.517,980 2.932,981 4.143,982 4.71,983 1.435,984 6.333,985 4.112,986 5.876,987 0.802,988 7.083,989 2.275,990 3.761,991 4.443,992 0.325,993 7.252,994 3.705,995 7.182,996 0.02,997 8.748,998 2.06,999 5.74,1000 6.874,1001 1.379,1002 10.348,1003 5.678,1004 8.525,1005 -0.416,1006 10.473,1007 0.052,1008 6.176,1009 7.403,1010 0.268,1011 12.122,1012 6.091,1013 9.9,1014 -0.781,1015 12.236,1016 -0.981,1017 7.643,1018 9.312,1019 1.406,1020 14.737,1021 7.554,1022 11.298,1023 -1,1024 14.025,1025 -1.94,1026 8.456,1027 10.233,1028 0.188,1029 16.871,1030 8.351,1031 12.715,1032 -1,1033 15.834,1034 -2,1035 9.718,1036 11.898,1037 1.462,1038 19.329,1039 9.609,1040 3.184,1041 -1,1042 17.658,1043 -2.431,1044 10.709,1045 13.03,1046 0.125,1047 21.615,1048 10.588,1049 2.777,1050 10.951,1051 19.494,1052 -3,1053 11.89,1054 14.569,1055 1.533,1056 24.024,1057 11.766,1058 2.379,1059 8.233,1060 21.34,1061 4.118,1062 12.963,1063 15.819,1064 0.082,1065 26.372,1066 12.831,1067 2.088,1068 7.19,1069 23.195,1070 3.687,1071 14.116,1072 17.292,1073 1.613,1074 28.766,1075 13.98,1076 1.686,1077 6.206,1078 25.058,1079 3.115,1080 15.227,1081 18.609,1082 0.054,1083 31.14,1084 15.085,1085 1.354,1086 4.925,1087 26.926,1088 2.765,1089 16.373,1090 20.049,1091 1.698,1092 33.532,1093 16.227,1094 1.264,1095 2.99,1096 28.799,1097 2.176,1098 17.503,1099 21.404,1100 0.035,1101 35.916,1102 17.352,1103 3723,1104 5877,1105 14.622,1106 24.796,1107 33.709,1108 34.252,1109 34.311,1110 33.122,1111 33.109,1112 44.101,1113 3.717,1114 95.631,1115 32.576,1116 5.335,1117 5.654,1118 6.407,1119 5.178,1120 5.184,1121 7.118,1122 2.117,1123 17.863,1124 5.161,1125 9.518,1126 1.532,1127 1.557,1128 1.56,1129 1.506,1130 1.505,1131 2.005,1132 0.169,1133 4.347,1134 1.481,1135 4.043,1136 4.068,1137 4.001,1138 3.976,1139 7.429,1140 3.978,1141 3.885,1142 3.921,1143 3.825,1144 3.812,1145 4.822,1146 3.811,1147 3.509,1148 3.573,1149 3.416,1150 3.364,1151 4.713,1152 3.371,1153 3.376,1154 3.43,1155 3.247,1156 3.167,1157 4.243,1158 3.174,1159 2.999,1160 3.064,1161 2.879,1162 2.829,1163 4.031,1164 2.834,1165 2.874,1166 3.009,1167 2.687,1168 2.735,1169 3.813,1170 2.715,1171 2.854,1172 2.925,1173 2.634,1174 2.66,1175 3.674,1176 2.645,1177 2.777,1178 2.838,1179 2.532,1180 2.618,1181 3.523,1182 2.57,1183 0.206,1184 0.166,1185 0.306,1186 0.19,1187 0.145,1188 4.526,1189 0.187,1190 3.654,1191 0.048,1192 6.726,1193 0.498,1194 4.178,1195 0.144,1196 3.184,1197 4.118,1198 1.058,1199 10.951,1200 3.161,1201 1.952,1202 1.93,1203 2.05,1204 2.031,1205 1.17,1206 2.039,1207 1.857,1208 1.829,1209 1.971,1210 1.945,1211 1.07,1212 1.956,1213 1.512,1214 1.47,1215 1.739,1216 1.727,1217 0.812,1218 1.729,1219 1.345,1220 1.273,1221 1.522,1222 1.582,1223 0.592,1224 1.564,1225 1.005,1226 0.947,1227 1.417,1228 1.239,1229 0.469,1230 1.308,1231 0.934,1232 0.821,1233 1.208,1234 1.218,1235 0.246,1236 1.226,1237 0.886,1238 0.804,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.789,1244 0.73,1245 1.066,1246 0.979,1247 0.124,1248 1.015,1249 3.807,1251 5.13,1252 2.398,1253 6.648,1254 4.844,1255 8.249,1256 7.018,1257 9.894,1259 4.016,1266 2.882,1271 2.05,1273 23.445,1274 50.63,1275 112.078,1276 133.098,1277 153.098,1278 160.608,1279 160.608,1280 25.536,1281 6.72,1282 36.1,1283 36.1,1284 17,1285 12.235,1286 3.907,1287 3.17,1288 30.058,1289 62,1290 58,1291 0.245,1292 145.826,1293 253.45,1294 347.575,1295 6599,1297 14.113,1298 0.706,1299 0.578,1300 14.113,1301 11.552,1302 9.648,1303 0.439,1304 0.298,1305 6.48,1306 9.403,1307 6.232,1308 5.244,1309 9.648,1310 6.548,1311 8.846,1312 0.285,1313 0.163,1314 8.846,1315 5.044,1316 7.363,1317 0.18,1318 0.084,1319 7.363,1320 3.431,1321 6.05,1322 0.114,1323 0.044,1324 6.05,1325 2.318,1326 4.889,1327 0.075,1328 0.023,1329 4.889,1330 1.52,1331 0.379,1332 59.617,1333 0.262,1334 19.85,1335 0.685,1336 106,1337 273.714,1338 112.017,1339 273.809,1340 379.57,1341 256,1342 125,1343 283.003,1344 131.323,1345 294.144,1346 426.6,1347 275,1348 4.523}
{0 CHEMBL296588,1 1.482,2 17.813,3 2.596,4 6.74,5 179.643,6 6.18,8 4.732,9 4.878,10 4.062,11 4.127,12 5.789,13 4.079,14 5.326,15 5.544,16 4.427,17 4.524,18 6.358,19 4.437,20 5.696,21 5.935,22 4.56,23 4.738,24 6.746,25 4.631,26 5.882,27 6.162,28 4.699,29 4.796,30 6.991,31 4.704,32 5.836,33 6.062,34 4.765,35 4.822,36 7.161,37 4.757,38 5.914,39 6.148,40 4.715,41 4.92,42 7.024,43 4.819,44 6.007,45 6.266,46 4.798,47 4.979,48 7.167,49 4.864,50 6.056,51 6.319,52 4.636,53 4.972,54 7.192,55 4.822,56 0.11,57 1.445,58 27.285,59 10.227,60 33.11,61 14.867,62 0.592,63 2.189,64 48.986,65 16.145,66 114.086,67 24.687,68 1.159,69 2.752,70 71.724,71 20.296,72 197.623,73 32.026,74 1.584,75 2.947,76 86.035,77 21.045,78 287.316,79 35.175,80 2.182,81 2.966,82 85.24,83 21.268,84 403.875,85 33.733,86 1.621,87 3.212,88 89.793,89 24.837,90 307.734,91 38.487,92 1.744,93 3.457,94 97.281,95 26.579,96 359.979,97 42.445,98 2.331,99 3.434,100 102.816,101 27.056,102 408.962,103 43.147,105 488,106 64,107 0.216,108 0.412,109 0.602,110 0.697,111 0.785,112 0.801,113 3.894,114 1.093,115 -1.81,116 -1.87,117 -1.88,120 30.6,121 11,122 5,123 5,128 7,153 6,162 1,164 1,165 13,166 1,168 3,171 6,173 10,176 11,182 4,185 3,186 5,187 14,188 1,190 2,195 11,198 2,199 2,200 12,201 1,203 4,204 1,206 3,207 12,210 7,211 2,212 11,215 10,216 1,220 8,221 1,223 1,224 3,225 13,227 14,228 2,230 2,231 11,234 3,235 1,236 15,237 1,239 19,240 1,244 1,245 10,248 6,249 3,250 6,253 11,258 9,259 1,262 1,263 8,266 12,267 1,270 6126,271 29.189,272 29.189,273 29.189,274 29.189,275 29.189,276 28.282,277 28.997,278 17.189,279 29.401,280 23.092,281 23.092,282 23.092,283 23.092,284 23.092,285 21.431,286 31.074,287 8.114,288 23.415,289 5.312,290 3.966,291 2.669,292 2.013,293 1.408,294 1.3,295 4.53,303 1640,304 8,313 2.862,314 94.62,317 0.25,318 0.33,319 0.33,320 0.7,321 1,322 0.17,324 0.4,325 107.5,326 855,327 4.158,328 3.847,329 6.446,330 4.02,331 3.036,332 3.307,333 2.341,334 9.852,335 2.979,336 4.025,337 3.765,338 6.279,339 3.888,340 2.913,341 3.17,342 1.991,343 9.259,344 2.839,345 3.985,346 3.701,347 6.137,348 3.86,349 2.882,350 3.115,351 1.97,352 8.981,353 2.812,354 3.834,355 3.618,356 6.046,357 3.731,358 2.748,359 2.924,360 1.937,361 8.635,362 2.689,363 3.733,364 3.553,365 5.832,366 3.615,367 2.632,368 2.824,369 1.891,370 7.881,371 2.577,372 3.627,373 3.531,374 5.177,375 3.429,376 2.414,377 2.773,378 1.888,379 6.439,380 2.442,381 3.501,382 2.903,383 5.055,384 3.253,385 2.246,386 2.588,387 0.368,388 6.067,389 2.251,390 3.41,391 2.885,392 4.829,393 3.204,394 2.199,395 2.484,396 0.313,397 5.538,398 2.195,399 3.091,400 2.483,401 4.716,402 3,403 2.006,404 2.1,405 0.207,406 4.95,407 1.986,408 3.032,409 2.364,410 4.632,411 2.914,412 1.92,413 2.033,414 0.062,415 4.769,416 1.89,417 3.019,418 2.137,419 4.6,420 2.833,421 1.82,422 2.02,423 0.033,424 4.612,425 1.831,426 2.963,427 2.134,428 4.481,429 2.799,430 1.788,431 1.959,433 4.483,434 1.798,435 2.927,436 2.097,437 4.303,438 2.777,439 1.77,440 1.921,442 4.241,443 1.771,444 2.422,445 2.006,446 3.999,447 2.237,448 1.276,449 1.364,451 3.266,452 1.214,453 2.117,454 1.528,455 3.764,456 2.004,457 1.05,458 1.084,460 2.663,461 0.992,462 22,463 0.458,464 1.869,465 0.039,466 37.25,467 0.776,468 9,469 0.188,470 28.25,471 0.589,472 80.27,473 1.672,474 61.4,475 0.553,476 41.465,477 0.864,478 6.211,479 0.129,480 15.835,481 0.33,482 0.386,484 0.409,490 0.801,491 1.65,492 1.041,493 1.474,494 0.713,495 1.318,496 0.529,497 1.443,498 0.876,499 1.318,500 0.519,501 1.183,502 0.993,503 1.253,504 1.11,505 1.217,506 1.005,507 1.188,508 1.022,509 0.959,510 0.852,511 0.839,512 0.945,513 0.798,514 1.356,515 1.004,516 1.168,517 0.984,518 1.37,519 1.021,520 1.374,521 1.092,522 1.187,523 1.078,524 1.414,525 1.098,526 0.975,527 1.129,528 0.981,529 1.073,530 0.938,531 1.031,532 1.182,533 0.982,534 1.221,535 1.05,536 1.198,537 1.13,538 15,539 0.446,540 5.778,541 4.375,542 3.44,543 1.889,544 2.082,545 1.063,546 0.716,547 0.74,548 36683,549 98839,550 1.744,551 56.8,552 33,553 7,556 8,557 6,558 9,560 1.845,561 1.548,562 4.07,563 4.387,569 164.499,570 1.482,571 2.828,572 4.125,573 4.781,574 5.386,575 5.494,576 3.531,577 5.022,578 5.556,579 4.313,580 4864.92,581 9.882,582 101656,587 754.18,588 1.528,589 5.431,590 0.319,591 0.007,592 0.09,593 0.064,594 0.043,595 0.023,596 0.026,597 0.012,598 0.011,599 0.011,600 0.607,601 0.17,602 0.5,603 2.919,604 289.96,605 -0.082,606 -0.103,607 -0.022,608 -0.025,609 -0.08,610 -0.013,611 0.172,612 -0.159,613 0.099,614 -0.088,615 0.11,616 -0.023,617 -0.022,618 -0.102,619 -0.093,620 -0.137,621 -0.086,622 -0.136,623 0.015,624 0.028,625 0.159,626 0.09,627 0.041,628 0.154,629 0.003,630 0.095,631 -0.07,632 0.018,633 0.031,634 -0.032,635 -0.168,636 -0.017,637 -0.137,638 -0.026,639 -0.17,640 -0.073,641 0.03,642 -0.088,643 0.022,644 -0.051,645 0.07,646 -0.018,647 -0.068,648 0.03,649 -0.197,650 -0.077,651 -0.074,652 -0.154,653 2.878,654 6.495,656 71.76,657 1.001,658 1.148,659 0.578,660 0.334,661 0.587,662 3.871,663 4.174,664 4.234,665 4.394,666 4.431,667 4.394,668 4.466,669 4.22,670 4.19,671 4.205,672 10.566,673 0.548,674 686.02,675 3.871,676 5.407,677 6.188,678 7.045,679 7.853,680 8.707,681 9.529,682 10.381,683 11.21,684 12.06,685 4.5,692 5,720 111,723 6,725 47,727 110,728 34,741 11,748 12,749 6,750 28,751 5,754 6,759 6,763 6,768 63,769 14,770 8,771 14,775 5,781 9,783 2,800 5,802 1,811 3,817 11,821 48,827 3,828 5,829 5,833 12,840 8.1,841 2,842 1,843 6,847 31,848 21.85,849 10.778,850 7.065,851 0.225,852 1.032,853 0.818,854 21.398,855 7.296,856 3.989,857 4.344,858 4.419,859 4.644,860 4.727,861 4.585,862 4.736,863 4.477,864 4.407,865 4.477,866 0.917,867 68,868 18.318,870 7.829,871 8.167,872 33.555,874 26.564,877 2.667,878 128,882 647.411,883 134.183,884 90.054,886 278.92,889 134.183,890 926.33,891 90.054,892 97.077,893 102.726,894 85.367,895 217.986,898 647.411,900 647.411,901 224.237,902 278.92,905 541.471,906 299.493,907 85.367,909 199.804,910 24.433,913 647.411,914 368.973,915 134.183,918 647.411,919 37.106,920 97.077,921 90.054,922 278.92,923 647.411,924 368.973,925 134.183,927 0.583,928 0.3,929 0.155,930 0.082,931 18,932 18,933 0.2,934 22,937 5.041,938 446.367,941 258.078,945 45.74,946 22.456,947 18.921,949 368.973,957 218.104,958 1150.57,959 53,964 75.946,968 -3.823,969 111.079,970 127.417,971 0.218,972 0.416,973 0.607,974 0.704,975 0.793,976 0.809,977 5.268,978 2.199,979 6.217,980 6.067,981 4.86,982 5.03,983 3.724,984 6.982,985 4.83,986 6.426,987 2.006,988 7.772,989 5.538,990 4.691,991 4.977,992 3.367,993 7.851,994 4.661,995 7.693,996 1.92,997 9.421,998 4.95,999 6.425,1000 6.763,1001 4.876,1002 10.858,1003 6.358,1004 8.975,1005 1.82,1006 11.119,1007 4.769,1008 6.929,1009 7.385,1010 5.107,1011 12.465,1012 6.856,1013 10.28,1014 1.788,1015 12.849,1016 4.612,1017 8.249,1018 8.754,1019 6.199,1020 15.03,1021 8.14,1022 11.599,1023 1.77,1024 14.601,1025 4.483,1026 9.049,1027 9.664,1028 6.695,1029 16.972,1030 8.927,1031 12.931,1032 1.276,1033 16.37,1034 4.241,1035 10.215,1036 10.886,1037 7.618,1038 19.354,1039 10.06,1040 3.036,1041 1.05,1042 18.152,1043 3.266,1044 11.156,1045 11.926,1046 8.255,1047 21.454,1048 10.984,1049 2.913,1050 9.852,1051 19.945,1052 2.663,1053 12.261,1054 13.095,1055 9.106,1056 23.757,1057 12.059,1058 2.882,1059 9.259,1060 21.745,1061 3.307,1062 13.269,1063 14.195,1064 9.822,1065 25.933,1066 13.048,1067 2.748,1068 8.981,1069 23.553,1070 3.17,1071 14.351,1072 15.349,1073 10.645,1074 28.203,1075 14.104,1076 2.632,1077 8.635,1078 25.366,1079 3.115,1080 15.394,1081 16.477,1082 11.408,1083 30.417,1084 15.124,1085 2.414,1086 7.881,1087 27.183,1088 2.924,1089 16.469,1090 17.629,1091 12.225,1092 32.675,1093 16.175,1094 2.246,1095 6.439,1096 29.004,1097 2.824,1098 17.529,1099 18.773,1100 13.017,1101 34.909,1102 17.213,1103 39135,1104 64499,1105 26.706,1106 65.2,1107 70.405,1108 74.774,1109 74.447,1110 69.446,1111 69.454,1112 75.796,1113 26.002,1114 193.325,1115 68.494,1116 5.148,1117 5.688,1118 5.446,1119 5.068,1120 5.027,1121 5.307,1122 3.925,1123 16.522,1124 4.901,1125 44.636,1126 1.498,1127 1.591,1128 1.584,1129 1.478,1130 1.478,1131 1.613,1132 0.553,1133 4.113,1134 1.457,1135 3.954,1136 4.004,1137 3.859,1138 3.785,1139 7.475,1140 3.792,1141 3.849,1142 3.898,1143 3.759,1144 3.69,1145 7.439,1146 3.694,1147 3.818,1148 3.868,1149 3.713,1150 3.667,1151 7.43,1152 3.668,1153 3.74,1154 3.794,1155 3.628,1156 3.596,1157 7.426,1158 3.59,1159 3.691,1160 3.748,1161 3.569,1162 3.539,1163 7.424,1164 3.526,1165 3.664,1166 3.728,1167 3.51,1168 3.511,1169 7.422,1170 3.515,1171 3.593,1172 3.639,1173 3.459,1174 3.413,1175 6.451,1176 3.414,1177 3.535,1178 3.588,1179 3.397,1180 3.356,1181 6.446,1182 3.357,1183 0.088,1184 0.082,1185 0.137,1186 0.086,1187 0.065,1188 4.158,1189 0.07,1190 3.847,1191 0.05,1192 6.446,1193 0.21,1194 4.02,1195 0.063,1196 3.036,1197 3.307,1198 2.341,1199 9.852,1200 2.979,1201 1.837,1202 1.788,1203 2.035,1204 2.029,1205 1.364,1206 2.026,1207 1.815,1208 1.765,1209 2.028,1210 2.002,1211 1.36,1212 2.006,1213 1.794,1214 1.743,1215 2.008,1216 1.975,1217 1.276,1218 1.986,1219 1.733,1220 1.677,1221 1.974,1222 1.909,1223 1.24,1224 1.931,1225 1.684,1226 1.623,1227 1.943,1228 1.867,1229 1.207,1230 1.886,1231 1.654,1232 1.599,1233 1.872,1234 1.851,1235 1.08,1236 1.875,1237 1.562,1238 1.513,1239 1.799,1240 1.779,1241 1.052,1242 1.788,1243 1.507,1244 1.453,1245 1.759,1246 1.726,1247 0.981,1248 1.738,1249 4.554,1251 5.861,1253 7.305,1255 8.82,1257 10.379,1259 19.818,1264 30.419,1265 -0.11,1266 13.445,1270 -7.695,1273 60.817,1274 164.499,1275 313.939,1276 457.893,1277 530.709,1278 597.876,1279 609.876,1280 1048.87,1281 7.071,1282 223.26,1283 223.26,1285 12.622,1286 2.807,1287 2.807,1288 415.622,1289 301,1290 292,1291 0.645,1292 389.283,1293 715.03,1294 941.611,1295 10287,1297 37.463,1298 0.78,1299 0.641,1300 37.463,1301 30.755,1302 22.045,1303 0.469,1304 0.364,1305 16.903,1306 21.112,1307 16.071,1308 13.711,1309 22.045,1310 17.127,1311 21.342,1312 0.333,1313 0.232,1314 21.342,1315 14.833,1316 13.236,1317 0.195,1318 0.113,1319 13.236,1320 7.69,1321 10.714,1322 0.134,1323 0.064,1324 10.714,1325 5.156,1326 7.152,1327 0.086,1328 0.037,1329 7.152,1330 3.094,1331 1.042,1332 139.509,1333 0.194,1334 42.012,1335 1.693,1336 222,1337 712.527,1338 251.976,1339 665.181,1340 832.4,1341 606,1342 243,1343 544.253,1344 269.964,1345 543.026,1346 775.35,1347 505,1348 4}
{0 CHEMBL296771,1 1.52,2 8.9,3 4.097,4 16.789,5 75.916,6 7.833,7 0.545,8 3.632,9 3.739,10 3.252,11 3.218,12 4.801,13 3.205,14 4.097,15 4.254,16 3.587,17 3.563,18 5.272,19 3.526,20 4.276,21 4.439,22 3.614,23 3.668,24 5.443,25 3.62,26 4.383,27 4.596,28 3.545,29 3.557,30 5.724,31 3.5,32 4.224,33 4.438,34 3.375,35 3.272,36 5.579,37 3.272,38 3.814,39 3.961,40 3.13,41 3.061,42 5.191,43 3.088,44 3.719,45 3.859,46 3.029,47 3.144,48 4.978,49 3.077,50 3.935,51 4.144,52 2.661,53 3.053,54 5.13,55 2.942,56 0.012,57 0.477,58 6.006,59 2.949,60 4.226,61 3.666,62 0.258,63 0.741,64 11.202,65 4.842,66 11.443,67 6.427,68 0.078,69 0.864,70 13.452,71 5.816,72 13.386,73 7.395,74 0.233,75 0.906,76 17.414,77 6.503,78 50.538,79 8.59,80 0.286,81 0.736,82 16.122,83 5.021,84 55.049,85 5.989,86 0.269,87 0.518,88 9.558,89 2.654,90 39.723,91 2.536,92 0.015,93 0.471,94 7.255,95 3.59,96 7.244,97 4.473,98 0.323,99 0.54,100 12.051,101 3.877,102 57.357,103 4.377,105 17,106 32,107 0.278,108 0.525,109 0.568,110 0.611,111 0.611,112 0.611,113 3.058,114 0.872,115 -4.75,116 -4.67,117 -4.38,120 47.1,121 2,140 8,141 2,142 2,154 2,165 10,167 5,168 4,176 12,182 4,190 8,194 1,195 14,207 14,220 6,227 4,231 6,239 8,253 8,266 8,270 444,271 13.276,272 13.276,273 13.276,274 13.276,275 13.276,276 11.562,277 17.756,278 7.605,279 13.443,280 10.801,281 10.801,282 10.801,283 10.801,284 10.801,285 8.223,286 20.837,287 3.592,288 11.063,289 3.568,290 2.221,291 1.986,292 1.75,293 1.75,294 1.75,295 3.729,300 1,301 1,302 1,303 382,304 2,305 47.781,307 135.495,313 1.52,314 20.696,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 43,326 178,327 4.598,328 4.175,329 7.183,330 4.352,331 3.408,332 3.962,333 1.949,334 12.523,335 3.205,336 4.044,337 3.132,338 6.079,339 3.647,340 2.671,341 3.639,342 1.386,343 8.66,344 2.609,345 3.858,346 2.829,347 5.279,348 3.441,349 2.443,350 3.357,351 0.566,352 6.56,353 2.436,354 3.47,355 2.664,356 5.028,357 3.137,358 2.159,359 2.759,361 5.981,362 2.107,363 3.207,364 2.404,365 4.837,366 2.796,367 1.8,368 2.444,370 5.255,371 1.787,372 3,373 2.238,374 4.732,375 2.472,376 1.414,377 2,379 4,380 1.47,381 2.5,382 1.182,383 4.146,384 2,385 1,386 1.5,388 2.443,389 1,390 2.5,391 1.033,392 3.414,393 2,394 1,395 1.5,397 2.275,398 1,399 1.954,400 1,401 3.414,402 1.72,403 0.775,404 0.884,406 2.275,407 0.73,408 1.494,409 1,410 2.76,411 1.027,417 0.945,418 0.073,419 2.312,420 0.634,421 -0.35,422 -0.423,424 -0.81,425 -0.345,426 0.929,427 -0.051,428 2,429 0.496,430 -0.581,431 -0.853,433 -1.309,434 -0.623,435 0.5,436 -0.332,437 2,439 -1,440 -1.5,442 -3,443 -1,444 0.5,445 -0.91,446 2,448 -1,449 -1.5,451 -3,452 -1,454 -1,455 1.678,456 -0.29,457 -1.287,458 -1.577,460 -3.089,461 -1.285,462 9.467,463 0.473,464 0.597,465 0.03,466 29,467 1.45,468 16,469 0.8,470 13,471 0.65,472 12.199,473 0.61,474 20.533,475 0.604,476 19.435,477 0.972,478 5.823,479 0.291,480 3.753,481 0.188,482 0.176,484 0.401,490 0.61,491 1.335,492 0.703,493 1.041,494 0.524,495 0.912,496 0.263,497 0.908,498 0.672,499 0.866,500 0.515,501 0.85,502 0.827,503 1.248,504 0.965,505 1.191,506 0.753,507 1.109,508 0.887,509 1.165,510 0.872,511 1.111,512 0.775,513 1.004,514 2.013,515 0.933,516 0.976,517 0.764,518 2.021,519 0.709,520 2.852,521 0.588,522 1.462,523 0.502,524 2.689,525 0.677,526 0.741,527 1.383,528 1.076,529 1.47,530 0.747,531 1.363,532 2.338,533 0.611,534 1.702,535 0.753,536 2.457,537 1.062,538 4,539 0.033,540 2.667,541 2.5,542 1.529,543 0.833,544 0.487,545 0.111,546 0.131,547 0.102,548 3738,549 9694,550 2.048,551 41.2,552 6,553 8,560 1.617,561 1.875,562 3.126,563 -0.787,565 1,569 51.671,570 1.52,571 2.867,572 3.102,573 3.337,574 3.337,575 3.337,576 2.722,577 2.446,578 4.29,579 3.24,580 615.545,581 7.327,582 6169.17,584 1,585 1,586 1,587 172.974,588 1.522,589 4.231,590 0.182,591 0.007,592 0.089,593 0.083,594 0.059,595 0.038,596 0.027,597 0.007,598 0.013,599 0.013,600 0.517,601 0.67,602 1,603 0.68,604 88.224,605 -0.009,606 -0.246,607 0.057,608 -0.086,609 -0.059,610 -0.023,611 0.474,612 0.158,613 0.186,614 0.09,615 0.08,616 0.073,617 -0.042,618 -0.224,619 -0.094,620 -0.234,621 -0.039,622 -0.18,623 0.17,624 -0.204,625 0.134,626 -0.152,627 0.286,628 -0.034,629 -0.256,630 0.027,631 0.139,632 0.164,633 -0.121,634 0.21,635 -0.725,636 0.548,637 -0.435,638 0.346,639 -0.514,640 0.084,641 -0.001,642 -0.429,643 -0.24,644 -0.476,645 0.066,646 -0.413,647 -0.638,648 0.343,649 -0.631,650 0.191,651 -0.576,652 -0.147,653 1.984,654 5.174,655 0.8,656 14.64,657 1.005,658 1.115,659 3.522,660 12.406,661 0.691,662 3.135,663 3.497,664 3.807,665 4.043,666 4.234,667 4.29,668 4.394,669 4.394,670 4.394,671 4.174,672 5.122,673 0.666,674 266.32,675 3.135,676 4.691,677 5.565,678 6.469,679 7.366,680 8.281,681 9.19,682 10.112,683 11.028,684 11.954,685 5.9,692 2,699 8,704 4,706 12,720 34,723 14,724 2,725 22,727 36,728 16,729 12,730 4,731 8,735 3,736 3,740 2,741 2,749 14,750 2,754 2,759 2,763 2,765 1,768 14,769 4,771 4,775 2,777 2,780 1,781 2,787 1,789 2,813 3,817 2,821 20,834 2,840 5.9,843 2,847 10.667,848 6.9,849 4.333,850 1.994,851 2.119,852 1.32,853 0.996,854 2.976,855 8.746,856 3.434,857 4.025,858 4.559,859 5.104,860 5.557,861 5.664,862 6.012,863 6.202,864 6.366,865 6.551,866 1,867 30,868 7.404,870 3.207,871 7.9,872 13.889,874 11.349,877 2.4,878 48,882 164.795,883 113.897,884 6.249,886 50.29,889 113.897,890 215.085,891 6.249,892 17.65,893 6.249,894 75.81,895 50.29,896 11.885,897 8.552,898 164.795,900 164.795,901 120.145,902 50.29,905 164.795,906 50.29,909 23.899,910 96.246,913 164.795,914 56.538,915 113.897,918 164.795,919 20.436,920 99.709,922 50.29,923 164.795,924 56.538,925 113.897,927 0.594,928 0.354,929 0.186,930 0.102,931 17,932 8,933 0.056,934 2,936 1,937 3.24,938 151.653,940 16,941 58.439,945 12.733,946 4.675,947 2.088,949 56.538,950 14.619,955 3.386,958 335.231,959 30,964 24.348,968 -0.634,969 34.16,970 37.907,971 0.299,972 0.563,973 0.61,974 0.656,975 0.656,976 0.656,977 4.682,978 1,979 5.58,980 2.443,981 4.174,982 4.71,983 2.419,984 6.45,985 4.124,986 5.901,987 0.775,988 7.18,989 2.275,990 3.892,991 4.511,992 1.853,993 7.496,994 3.789,995 7.222,997 8.884,998 2.275,999 5.844,1000 6.847,1001 3.226,1002 10.704,1003 5.701,1004 8.577,1005 -0.35,1006 10.652,1008 6.399,1009 7.395,1010 3.289,1011 12.654,1012 6.177,1013 9.964,1014 -0.581,1015 12.464,1016 -0.81,1017 7.857,1018 9.238,1019 4.285,1020 15.408,1021 7.594,1022 11.373,1023 -1,1024 14.309,1025 -1.309,1026 8.788,1027 10.132,1028 4.654,1029 17.714,1030 8.437,1031 12.801,1032 -1,1033 16.18,1034 -3,1035 10.075,1036 11.758,1037 5.48,1038 20.32,1039 9.674,1040 3.408,1041 -1.287,1042 18.073,1043 -3,1044 11.172,1045 12.837,1046 6,1047 22.763,1048 10.687,1049 2.671,1050 12.523,1051 19.981,1052 -3.089,1053 12.405,1054 14.349,1055 6.744,1056 25.318,1057 11.861,1058 2.443,1059 8.66,1060 21.903,1061 3.962,1062 13.574,1063 15.536,1064 7.339,1065 27.812,1066 12.951,1067 2.159,1068 6.56,1069 23.835,1070 3.639,1071 14.793,1072 16.983,1073 8.044,1074 30.349,1075 14.108,1076 1.8,1077 5.981,1078 25.774,1079 3.357,1080 15.992,1081 18.236,1082 8.676,1083 32.863,1084 15.234,1085 1.414,1086 5.255,1087 27.721,1088 2.759,1089 17.211,1090 19.647,1091 9.361,1092 35.394,1093 16.388,1094 1,1095 4,1096 29.672,1097 2.444,1098 18.423,1099 20.941,1100 10.011,1101 37.916,1102 17.532,1103 3686,1104 6068,1105 14.334,1106 23.489,1107 33.977,1108 35.532,1109 35.862,1110 33.366,1111 33.341,1112 44.089,1113 7.801,1114 99.944,1115 32.689,1116 5.598,1117 6.175,1118 6.597,1119 5.452,1120 5.408,1121 6.962,1122 3.335,1123 20.523,1124 5.205,1125 10.723,1126 1.544,1127 1.615,1128 1.63,1129 1.517,1130 1.516,1131 2.004,1132 0.355,1133 4.543,1134 1.486,1135 4.023,1136 4.056,1137 3.988,1138 3.911,1139 7.458,1140 3.919,1141 3.885,1142 3.916,1143 3.817,1144 3.829,1145 7.398,1146 3.822,1147 3.645,1148 3.678,1149 3.6,1150 3.415,1151 4.761,1152 3.465,1153 3.163,1154 3.246,1155 2.991,1156 3.017,1157 4.713,1158 3,1159 3.072,1160 3.154,1161 2.872,1162 2.889,1163 4.014,1164 2.877,1165 2.854,1166 2.925,1167 2.687,1168 2.735,1169 3.863,1170 2.715,1171 2.854,1172 2.925,1173 2.687,1174 2.735,1175 3.674,1176 2.715,1177 2.685,1178 2.621,1179 2.687,1180 2.28,1181 3.674,1182 2.376,1183 0.209,1184 0.19,1185 0.326,1186 0.198,1187 0.155,1188 4.598,1189 0.18,1190 4.175,1191 0.089,1192 7.183,1193 0.569,1194 4.352,1195 0.146,1196 3.408,1197 3.962,1198 1.949,1199 12.523,1200 3.205,1201 1.954,1202 1.925,1203 2.056,1204 2.09,1205 1.161,1206 2.071,1207 1.895,1208 1.866,1209 2.022,1210 1.975,1211 1.124,1212 1.993,1213 1.522,1214 1.487,1215 1.636,1216 1.768,1217 0.712,1218 1.732,1219 1.19,1220 1.113,1221 1.52,1222 1.4,1223 0.6,1224 1.446,1225 1.077,1226 1.002,1227 1.361,1228 1.322,1229 0.364,1230 1.358,1231 0.886,1232 0.821,1233 1.181,1234 1.062,1235 0.218,1236 1.107,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.497,1244 0.413,1245 0.82,1246 0.811,1248 0.763,1249 3.807,1251 5.198,1253 6.812,1255 8.52,1257 10.275,1259 3.921,1271 2.36,1273 22.633,1274 51.671,1275 97.464,1276 105.464,1277 113.464,1278 113.464,1279 113.464,1280 33.284,1281 6.627,1282 44,1283 44,1284 16,1285 12.46,1286 3.907,1287 3.17,1288 30,1289 62,1290 60,1291 0.252,1292 140.23,1293 244.94,1294 333.92,1295 5406,1297 14.276,1298 0.714,1299 0.566,1300 14.276,1301 11.33,1302 9.575,1303 0.435,1304 0.291,1305 6.32,1306 9.277,1307 6.086,1308 5.109,1309 9.575,1310 6.393,1311 8.913,1312 0.279,1313 0.153,1314 8.913,1315 4.907,1316 7.638,1317 0.174,1318 0.076,1319 7.638,1320 3.349,1321 6.273,1322 0.112,1323 0.037,1324 6.273,1325 2.098,1326 4.77,1327 0.07,1328 0.021,1329 4.77,1330 1.437,1331 0.386,1332 59.607,1333 0.264,1334 19.838,1335 0.715,1336 108,1337 322.761,1338 118.922,1339 314.317,1340 431.16,1341 292,1342 130,1343 323.723,1344 141.645,1345 328.827,1346 486.76,1347 308,1348 8.62}
{0 CHEMBL298276,1 1.685,2 4.4,3 0.669,4 0.448,5 35.775,6 7.109,8 3.093,9 3.228,10 2.603,11 2.439,12 4.215,13 2.452,14 3.603,15 3.839,16 2.845,17 2.688,18 4.743,19 2.656,20 3.689,21 3.939,22 2.814,23 2.721,24 4.812,25 2.704,26 3.613,27 3.768,28 2.62,29 2.5,30 5.3,31 2.514,32 3.344,33 3.547,34 1.662,35 2.083,36 4.691,37 2.016,38 2.706,39 2.991,40 1.054,41 1.854,42 3.258,43 1.592,44 2.85,45 3.248,46 0.463,47 1.614,48 3.219,49 1.228,50 2.195,51 2.648,52 0.062,53 0.835,54 2.303,55 0.485,56 0.045,57 0.273,58 4.416,59 1.377,60 4.75,61 2.25,62 0.307,63 0.345,64 8.636,65 2.12,66 11.819,67 3.518,68 0.194,69 0.333,70 9.451,71 2.316,72 23.541,73 3.8,74 0.378,75 0.256,76 9.053,77 1.757,78 68.055,79 2.738,80 0.36,81 0.16,82 7.424,83 1.083,84 57.972,85 1.739,86 0.04,87 0.118,88 3.27,89 1.225,90 5.965,91 1.904,92 0.082,93 0.084,94 4.338,95 1.093,96 10.542,97 1.992,98 0.055,99 0.026,100 2.321,101 0.426,102 7.563,103 0.896,105 21,106 14,107 0.378,108 0.485,109 0.593,110 0.593,111 0.593,112 0.593,113 2.444,114 1.005,115 -1.81,116 -1.87,117 -1.88,120 30,121 2,126 2,154 2,167 5,168 2,194 1,195 6,227 1,270 56,271 6.569,272 6.569,273 6.569,274 6.569,275 6.569,276 6.358,277 9.743,278 3.638,279 6.82,280 4.724,281 4.724,282 4.724,283 4.724,284 4.724,285 4.252,286 9.361,287 1.455,288 5.006,289 2.636,290 2.161,291 1.675,292 1.675,293 1.675,294 1.675,295 3.002,302 1,303 82,304 2,305 25.067,313 0.88,314 15.461,317 1,318 0.83,319 0.83,320 1,321 1,322 1,323 1,324 0.95,325 23,326 44,327 4.449,328 4.13,329 6.936,330 4.225,331 3.281,332 3.676,333 1.949,334 11.52,335 3.082,336 3,337 3.132,338 5.086,339 2.649,340 1.732,341 2,342 1.386,343 5.196,344 1.587,345 2.732,346 2.075,347 4.732,348 2.472,349 1.414,350 1.732,351 0.566,352 4,353 1.47,354 2,355 1.764,356 3.068,357 1.769,358 0.772,359 0.845,361 1.229,362 0.762,363 1,364 0.451,365 2.428,366 0.967,372 1,373 0.136,374 2,375 0.587,376 -0.512,377 -0.713,379 -0.875,380 -0.556,382 -0.332,383 1.493,384 -0.372,385 -1.414,386 -1.732,387 -0.566,388 -3.874,389 -1.47,390 -0.449,391 -1.145,392 1.268,393 -0.581,394 -1.541,395 -1.808,396 -0.8,397 -4,398 -1.488,399 -0.732,400 -1.412,401 0.504,402 -0.816,403 -1.732,404 -2,405 -1.149,406 -5.196,407 -1.587,408 -1,409 -1.6,410 0.486,411 -1.1,412 -2,413 -2,414 -1.386,415 -8,416 -1.8,462 4.467,463 0.447,464 0.281,465 0.028,466 10,467 1,468 3,469 0.3,470 7,471 0.7,472 6.294,473 0.629,474 12.333,475 0.617,476 5.789,477 0.579,478 2.024,479 0.202,480 2.695,481 0.27,482 0.373,484 0.403,490 0.654,491 2.271,492 0.781,493 1.688,494 0.512,495 1.306,496 0.371,497 0.852,498 0.694,499 0.842,500 0.506,501 0.844,502 0.863,503 0.954,504 0.678,505 0.925,506 0.777,507 0.742,508 1.934,509 1.231,510 1.542,511 1.271,512 1.947,513 1.314,514 2.827,515 0.395,516 2.158,517 0.522,518 2.872,519 1.115,520 0.074,521 1.272,522 0.996,523 1.636,524 0.057,525 1.591,526 0.037,527 0.636,528 0.498,529 0.818,530 0.052,531 0.795,538 2,540 1.778,541 1.875,542 0.302,543 0.056,548 378,549 1276,550 1.783,551 50,553 4,558 6,560 1.396,561 1.579,562 2.241,563 -0.576,569 33.71,570 1.685,571 2.161,572 2.646,573 2.646,574 2.646,575 2.646,576 1.922,577 1.922,578 3.286,579 2.264,580 101.875,581 5.325,582 628.364,587 86.439,588 1.522,589 3.171,590 0.2,592 0.148,593 0.156,594 0.038,595 0.028,600 0.57,601 0.83,602 1,603 1.325,604 31.365,605 -0.043,606 -0.834,607 0.051,608 -0.406,609 -0.028,610 -0.189,611 0.421,612 0.261,613 0.238,614 0.117,615 0.103,616 0.111,617 -0.038,618 0.034,619 0.26,620 0.055,621 0.003,622 0.243,623 -0.325,624 -0.278,625 -0.5,626 -0.358,627 -0.073,628 -0.459,629 -0.989,630 0.366,631 -1.056,632 0.176,633 -0.755,634 -0.397,635 0.182,636 -0.295,637 -0.219,638 -0.47,639 0.118,640 -0.465,641 0.312,642 -0.077,643 0.386,644 0.033,645 0.177,646 0.205,647 0.415,648 0.27,649 0.967,650 0.638,651 0.277,652 0.922,653 1.838,654 3.865,655 0.4,656 4.48,657 1.02,658 1.154,659 0.578,660 0.334,661 0.598,662 2.398,663 2.708,664 3.045,665 3.045,666 2.565,667 1.946,672 2.906,673 0.579,674 142.18,675 2.398,676 3.892,677 4.762,678 5.652,679 6.541,680 7.439,681 8.331,682 9.23,683 10.122,684 11.021,685 10,692 2,720 20,723 2,725 10,727 20,728 6,735 1,736 1,740 2,741 2,749 2,750 4,754 2,759 2,763 2,768 10,769 4,771 4,775 2,777 2,780 1,781 2,787 1,813 1,817 2,821 10,828 2,834 2,840 10,843 2,847 6.333,848 4.233,849 2.444,850 1.483,851 0.327,852 1.072,853 0.874,854 1.833,855 4.86,856 2.565,857 2.944,858 3.367,859 3.555,860 2.833,861 2.398,866 1,867 12,868 3.692,869 0.02,870 1.502,871 8.333,872 6.767,873 0.008,874 5.086,875 0.014,876 0.001,877 2.833,878 28.333,879 0.014,882 117.711,883 30.413,884 6.249,886 50.29,889 30.413,890 168.001,891 6.249,892 17.65,893 10.46,895 50.29,897 8.552,898 117.711,900 117.711,901 36.662,902 50.29,905 47.084,906 120.916,909 28.11,910 8.552,913 117.711,914 56.538,915 30.413,918 117.711,919 12.763,920 23.899,922 50.29,923 117.711,924 56.538,925 30.413,927 0.573,928 0.402,929 0.205,930 0.063,931 7,932 4,933 0.1,934 2,936 1,937 2.087,938 48.863,940 4,941 23.219,945 7.381,946 2.484,947 0.893,949 56.538,958 204.663,959 12,964 21.731,968 -0.343,969 20.393,970 23.076,971 0.39,972 0.5,973 0.612,974 0.612,975 0.612,976 0.612,977 3.807,978 -1.541,979 4.796,980 -3.874,981 3.367,982 3.611,983 2.419,984 5.707,985 3.266,986 4.977,987 -1.732,988 6.444,989 -4,990 3.219,991 3.611,992 1.853,993 6.868,994 3.064,995 6.308,996 -2,997 8.198,998 -5.196,999 5.106,1000 5.565,1001 3.226,1002 10.082,1003 4.86,1004 7.684,1006 10.009,1007 -8,1008 5.832,1009 6.431,1010 3.289,1011 12.039,1012 5.533,1013 9.102,1015 11.857,1017 7.242,1018 7.919,1019 4.285,1020 14.79,1021 6.861,1022 10.545,1024 13.728,1026 8.281,1027 9.091,1028 4.654,1029 17.027,1030 7.849,1031 12.005,1033 15.618,1035 9.541,1036 10.445,1037 5.48,1038 19.609,1039 9.035,1040 3.281,1042 17.52,1044 10.682,1045 11.71,1046 6,1047 21.959,1048 10.12,1049 1.732,1050 11.52,1051 19.432,1053 11.894,1054 13.026,1055 6.744,1056 24.468,1057 11.264,1058 1.414,1059 5.196,1060 21.351,1061 3.676,1062 13.066,1063 14.318,1064 7.339,1065 26.867,1066 12.377,1067 0.772,1068 4,1069 23.275,1070 2,1071 14.263,1072 15.624,1073 8.044,1074 29.342,1075 13.508,1077 1.229,1078 25.202,1079 1.732,1080 15.446,1081 16.923,1082 8.676,1083 31.765,1084 14.63,1085 -0.512,1087 27.132,1088 0.845,1089 16.637,1090 18.225,1091 9.361,1092 34.224,1093 15.757,1094 -1.414,1095 -0.875,1096 29.064,1098 17.823,1099 19.526,1100 10.011,1101 36.657,1102 16.882,1103 486,1104 948,1105 5.781,1106 11.966,1107 14.763,1108 16.443,1109 17.243,1110 14.391,1111 14.399,1112 16.505,1113 7.801,1114 43.891,1115 13.802,1116 5.449,1117 5.73,1118 6.45,1119 5.325,1120 5.281,1121 5.676,1122 3.335,1123 19.52,1124 4.882,1125 6.212,1126 1.476,1127 1.644,1128 1.724,1129 1.439,1130 1.44,1131 1.65,1132 0.78,1133 4.389,1134 1.38,1135 3.887,1136 3.936,1137 3.85,1138 3.616,1139 7.458,1140 3.665,1141 3.431,1142 3.525,1143 3.209,1144 3.243,1145 7.398,1146 3.221,1147 3.209,1148 3.287,1149 2.988,1150 2.972,1151 4.206,1152 2.971,1153 2.685,1154 2.621,1155 2.687,1156 2.264,1157 4.016,1158 2.376,1159 2.426,1160 2.581,1161 2.057,1162 2.097,1163 3.514,1164 2.061,1165 2.288,1166 2.428,1167 1.903,1168 1.943,1169 2.897,1170 1.903,1171 1.222,1172 1.265,1173 1.09,1174 0.554,1175 2.405,1176 0.671,1177 1.095,1178 1.235,1179 0.845,1180 0.499,1181 1.684,1182 0.617,1183 0.445,1184 0.413,1185 0.694,1186 0.422,1187 0.328,1188 4.449,1189 0.368,1190 4.13,1191 0.195,1192 6.936,1193 1.152,1194 4.225,1195 0.308,1196 3.281,1197 3.676,1198 1.949,1199 11.52,1200 3.082,1201 1.739,1202 1.685,1203 1.912,1204 2.02,1205 1.084,1206 1.978,1207 1.454,1208 1.364,1209 1.791,1210 1.683,1211 0.963,1212 1.725,1213 1.171,1214 1.101,1215 1.405,1216 1.457,1217 0.411,1218 1.464,1219 0.459,1220 0.413,1221 0.991,1222 0.83,1223 0.139,1224 0.893,1225 0.359,1226 0.306,1227 0.834,1228 0.811,1230 0.756,1231 0.312,1232 0.171,1233 0.357,1234 0.698,1236 0.664,1249 3.045,1251 4.443,1253 6.116,1255 7.874,1257 9.656,1259 3.561,1265 0.961,1271 2.424,1273 11.58,1274 33.71,1275 43.219,1276 52.929,1277 52.929,1278 52.929,1279 52.929,1280 17.28,1281 4.533,1282 44,1283 44,1284 4,1285 11.545,1286 1.585,1287 1.585,1288 16.494,1289 18,1290 14,1291 0.577,1292 76.657,1293 134.3,1294 178.804,1295 274,1297 7.724,1298 0.772,1299 0.613,1300 7.724,1301 6.125,1302 4.719,1303 0.472,1304 0.335,1305 3.27,1306 4.394,1307 3.161,1308 2.663,1309 4.719,1310 3.349,1311 3.862,1312 0.276,1313 0.147,1314 3.862,1315 2.054,1316 3.644,1317 0.182,1318 0.078,1319 3.644,1320 1.556,1321 2.823,1322 0.141,1323 0.045,1324 2.823,1325 0.901,1326 1.013,1327 0.084,1328 0.033,1329 1.013,1330 0.399,1331 0.797,1332 30.542,1333 0.416,1334 9.833,1335 1.879,1336 48,1337 194.761,1338 58.256,1339 178.292,1340 233.04,1341 164,1342 58,1343 166.315,1344 68.646,1345 162.202,1346 243.52,1347 152,1348 6.131}
{0 CHEMBL298301,1 2.152,2 9.774,3 3.487,4 12.158,5 114.924,6 14.891,7 0.176,8 3.836,9 3.877,10 3.938,11 3.47,12 5.236,13 3.497,14 4.419,15 4.445,16 4.622,17 4.054,18 6.005,19 4.057,20 4.789,21 4.833,22 5.192,23 4.339,24 6.396,25 4.306,26 4.792,27 4.85,28 5.072,29 4.111,30 6.595,31 4.119,32 4.508,33 4.566,34 4.626,35 3.666,36 6.452,37 3.793,38 4.304,39 4.343,40 4.267,41 3.548,42 6.358,43 3.638,44 4.27,45 4.331,46 4.13,47 3.612,48 6.145,49 3.628,50 4.19,51 4.254,52 4.285,53 3.648,54 5.738,55 3.646,56 0.496,57 0.541,58 5.019,59 2.168,60 77.425,61 1.447,62 1.056,63 0.869,64 13.989,65 4.448,66 178.821,67 3.03,68 1.651,69 1.037,70 43.174,71 8.083,72 224.929,73 5.428,74 1.887,75 0.955,76 48.949,77 9.349,78 289.235,79 5.389,80 1.376,81 0.749,82 17.258,83 6.542,84 222.284,85 4.082,86 1.158,87 0.652,88 10.738,89 4.786,90 215.98,91 2.752,92 1.213,93 0.614,94 18.393,95 5.263,96 232.23,97 3.63,98 1,99 0.545,100 18.138,101 4.726,102 158.426,103 3.766,105 149,106 58,107 0.381,108 0.701,109 0.757,110 0.789,111 0.818,112 0.818,113 3.473,114 0.916,115 -5.46,116 -5.34,117 -4.99,120 40.5,123 2,130 2,131 1,138 2,140 3,142 3,153 2,161 4,163 1,165 2,167 4,168 7,173 1,176 4,182 11,185 3,187 4,190 16,194 3,195 11,198 2,203 9,206 6,207 16,210 1,212 2,215 2,219 7,220 8,223 2,225 4,227 4,230 6,231 4,239 2,244 2,245 4,253 8,257 4,258 12,266 8,270 1386,271 19.243,272 19.243,273 19.243,274 19.243,275 19.243,276 17.362,277 27.367,278 10.076,279 19.996,280 16.546,281 16.546,282 16.546,283 16.546,284 16.546,285 13.661,286 31.855,287 4.602,288 18.217,289 3.058,290 1.25,291 0.939,292 0.757,293 0.595,294 0.595,295 4.145,296 2,297 2,298 2,303 644,304 4.583,306 191.959,307 174.238,309 102.053,310 115.574,313 1.409,314 84.508,317 0.5,318 0.67,319 0.83,320 0.5,322 0.67,323 1,324 0.6,325 72,326 303,327 5.321,328 4.83,329 9.199,330 5.141,331 4.269,332 4.468,333 2.612,334 19.705,335 3.7,336 4.474,337 3.984,338 7.789,339 4.109,340 3.15,341 4.214,342 2.612,343 13.44,344 2.98,345 4.267,346 3.828,347 7.093,348 3.955,349 3.018,350 3.688,351 1.997,352 11.627,353 2.84,354 4.076,355 3.777,356 6.485,357 3.889,358 2.987,359 3.486,360 1.798,361 9.965,362 2.551,363 4.038,364 3.75,365 6.419,366 3.526,367 2.564,368 3.069,369 1.457,370 8.52,371 2.462,372 3.717,373 3.278,374 5.895,375 3.144,376 2.396,377 2.917,378 1.457,379 7.921,380 1.95,381 3.523,382 3.242,383 5.822,384 3.019,385 2.07,386 2.876,387 1.2,388 7.213,389 1.734,390 3.186,391 2.712,392 5.445,393 2.787,394 1.786,395 2.25,397 5.642,398 1.68,399 3.042,400 2.463,401 4.893,402 2.734,403 1.76,404 2.116,406 5.147,407 1.596,408 2.88,409 1.975,410 4.249,411 2.244,412 1.255,413 1.916,415 3.027,416 1.236,417 2.608,418 1.799,419 4.155,420 2,421 1,422 1.596,424 2.415,425 1,426 1.997,427 1.649,428 3.916,429 1.57,430 0.749,431 0.835,433 2.275,434 0.52,435 1.61,436 1.554,437 3.848,438 1.149,439 0.4,440 0.406,442 0.965,443 0.231,444 1.436,445 1.295,446 3.596,447 1.023,448 0.305,449 0.372,451 0.83,452 0.195,453 1.197,454 1,455 3.322,456 0.75,457 -0.26,458 -0.356,460 -0.644,461 -0.26,462 15.386,463 0.496,464 1.535,465 0.05,466 37.75,467 1.218,468 16.5,469 0.532,470 21.25,471 0.685,472 36.121,473 1.165,474 33.814,475 0.914,476 33.503,477 1.081,478 6.738,479 0.217,480 7.485,481 0.241,482 0.409,483 0.097,484 0.37,490 0.538,491 0.934,492 0.487,493 0.461,494 0.589,495 0.545,496 0.653,497 1.212,498 0.626,499 0.633,500 0.539,501 0.746,502 0.965,503 1.225,504 0.856,505 0.778,506 0.787,507 0.935,508 1.294,509 0.989,510 1.05,511 0.95,512 1.218,513 1.09,514 0.919,515 0.869,516 0.795,517 1.074,518 1.201,519 0.882,520 0.803,521 0.868,522 0.694,523 1.001,524 0.971,525 1.151,526 1.067,527 0.872,528 0.953,529 0.806,530 1.024,531 1.117,532 1.119,533 1.112,534 1.01,535 0.84,536 1.072,537 0.935,538 9.5,539 0.23,540 8,541 6.826,542 3.358,543 1.997,544 0.873,545 0.805,546 0.713,547 0.498,548 10345,549 61965,550 1.913,551 16.2,553 3,556 1,557 2,560 1.741,561 1.653,562 3.2,563 -0.073,569 79.617,570 2.152,571 3.959,572 4.27,573 4.453,574 4.615,575 4.615,576 2.623,577 4.245,578 4.927,579 3.414,580 1587.47,581 8.633,582 20968.5,587 192.75,588 1.767,589 4.778,590 0.279,591 0.011,592 0.138,593 0.096,594 0.056,595 0.041,596 0.022,597 0.022,598 0.019,599 0.013,600 0.698,601 0.17,602 0.63,603 0.945,604 156.105,605 0.147,606 0.314,607 -0.002,608 0.185,609 0.044,610 0.085,611 0.105,612 -0.095,613 0.043,614 0.104,615 0.156,616 -0.005,617 -0.11,618 -0.238,619 0.223,620 0.167,621 -0.074,622 0.057,623 -0.289,624 -0.047,625 0.082,626 0.119,627 -0.244,628 0.024,629 0.118,630 0.154,631 0.085,632 -0.07,633 -0.078,634 0.162,635 0.222,636 0.166,637 -0.025,638 -0.091,639 0.188,640 -0.222,641 -0.048,642 0.084,643 -0.13,644 0.18,645 0.06,646 0.027,647 -0.19,648 -0.155,649 -0.034,650 0.139,651 -0.214,652 0.205,653 3.372,654 6.115,655 0.516,656 24.843,657 1.104,658 1.124,659 4.234,660 17.929,661 0.809,662 3.555,663 4.078,664 4.522,665 4.883,666 5.193,667 5.371,668 5.481,669 5.58,670 5.677,671 5.737,672 5.976,673 0.823,674 550.95,675 3.555,676 5.22,677 6.18,678 7.172,679 8.164,680 9.167,681 10.172,682 11.184,683 12.198,684 13.216,685 10.8,690 1,692 1,696 2,699 3,704 3,706 6,715 2,720 37,723 13,724 1,725 34,727 40,728 15,729 6,730 3,731 3,735 4,736 7,737 6,745 1,746 4,748 1,749 10,750 5,751 4,752 4,753 2,754 7,756 2,759 6,763 4,768 6,769 8,770 1,771 16,772 6,775 4,778 1,780 0.5,781 6,788 3,789 2,791 1,792 1,805 2,813 2,818 6,821 31,829 1,833 2,834 1,835 3,839 6,840 16.2,843 2,846 4,847 18.75,848 6.874,849 6.375,850 2.007,851 1.801,852 1.221,853 0.917,854 5.284,855 9.966,856 3.807,857 4.472,858 5.006,859 5.513,860 5.988,861 6.279,862 6.495,863 6.647,864 6.855,865 7.028,866 1,867 71,868 11.851,870 6.235,871 8.702,872 19.94,874 17.829,877 3.202,878 99.25,882 58.856,883 53.109,884 32.23,885 234.892,886 151.784,889 53.109,890 445.531,891 32.23,892 11.34,893 3.002,894 28.429,895 84.589,896 8.27,898 215.45,899 179.791,900 58.856,901 85.34,902 151.784,903 234.892,905 58.856,906 50.29,907 101.494,909 3.002,910 46.108,911 192.824,912 78.297,913 58.856,914 184.014,915 288.001,918 58.856,919 24.681,920 42.771,921 17.888,922 386.676,923 58.856,924 184.014,925 288.001,927 0.636,928 0.413,929 0.216,930 0.119,931 33,932 18,933 0.1,934 4,935 3,936 1.313,937 3.676,938 320.452,939 0.375,940 15,941 133.58,945 23.256,946 7.043,947 2.631,949 172.674,950 2.592,955 -1.693,957 17.888,958 530.871,959 44,961 -1.759,964 70.737,968 -2.51,969 40.848,970 41.574,971 0.413,972 0.76,973 0.82,974 0.855,975 0.886,976 0.886,977 5.19,978 1.786,979 6.326,980 7.213,981 4.762,982 5.159,983 3.84,984 7.44,985 4.567,986 6.5,987 1.76,988 8.108,989 5.642,990 4.977,991 5.427,992 3.333,993 9.193,994 4.562,995 7.923,996 1.255,997 10.014,998 5.147,999 6.735,1000 7.412,1001 5.21,1002 12.481,1003 6.327,1004 9.383,1005 1,1006 11.998,1007 3.027,1008 7.719,1009 8.387,1010 5.392,1011 15.068,1012 7.083,1013 10.879,1014 0.749,1015 14.034,1016 2.415,1017 9.164,1018 9.997,1019 6.826,1020 18.087,1021 8.469,1022 12.403,1023 0.4,1024 16.11,1025 2.275,1026 10.433,1027 11.248,1028 7.36,1029 20.947,1030 9.538,1031 13.951,1032 0.305,1033 18.216,1034 0.965,1035 11.836,1036 12.752,1037 8.582,1038 23.923,1039 10.826,1040 4.269,1041 -0.26,1042 20.345,1043 0.83,1044 13.211,1045 14.118,1046 9.303,1047 26.865,1048 12.024,1049 3.15,1050 19.705,1051 22.492,1052 -0.644,1053 14.627,1054 15.593,1055 10.413,1056 29.839,1057 13.297,1058 3.018,1059 13.44,1060 24.654,1061 4.468,1062 16.043,1063 17.013,1064 11.236,1065 32.806,1066 14.549,1067 2.987,1068 11.627,1069 26.827,1070 4.214,1071 17.473,1072 18.481,1073 12.283,1074 35.783,1075 15.829,1076 2.564,1077 9.965,1078 29.01,1079 3.688,1080 18.908,1081 19.928,1082 13.165,1083 38.759,1084 17.106,1085 2.396,1086 8.52,1087 31.2,1088 3.486,1089 20.348,1090 21.397,1091 14.175,1092 41.738,1093 18.395,1094 2.07,1095 7.921,1096 33.395,1097 3.069,1098 21.791,1099 22.858,1100 15.09,1101 44.716,1102 19.685,1103 10301,1104 25253,1105 20.115,1106 29.943,1107 56.117,1108 59.653,1109 62.078,1110 55.629,1111 55.419,1112 68.417,1113 26.268,1114 197.383,1115 49.344,1116 6.321,1117 6.83,1118 8.474,1119 6.171,1120 6.269,1121 7.468,1122 4.612,1123 30.252,1124 5.7,1125 24.316,1126 1.651,1127 1.755,1128 1.826,1129 1.636,1130 1.63,1131 2.012,1132 0.773,1133 5.805,1134 1.451,1135 4.124,1136 4.134,1137 4.431,1138 4.064,1139 7.819,1140 4.055,1141 4.023,1142 4.041,1143 4.02,1144 3.873,1145 7.811,1146 3.893,1147 3.654,1148 3.675,1149 3.812,1150 3.378,1151 7.445,1152 3.41,1153 3.567,1154 3.582,1155 3.723,1156 3.135,1157 7.408,1158 3.251,1159 3.327,1160 3.346,1161 3.642,1162 2.94,1163 6.999,1164 3.015,1165 3.032,1166 3.011,1167 3.621,1168 2.879,1169 6.999,1170 2.88,1171 2.926,1172 2.944,1173 3.357,1174 2.878,1175 5.171,1176 2.836,1177 2.803,1178 2.822,1179 3.273,1180 2.482,1181 4.801,1182 2.54,1183 0.156,1184 0.142,1185 0.271,1186 0.151,1187 0.126,1188 5.321,1189 0.131,1190 4.83,1191 0.077,1192 9.199,1193 0.58,1194 5.141,1195 0.109,1196 4.269,1197 4.468,1198 2.612,1199 19.705,1200 3.7,1201 1.934,1202 1.909,1203 2.002,1204 2.14,1205 1.25,1206 2.084,1207 1.742,1208 1.738,1209 1.768,1210 1.843,1211 1.102,1212 1.818,1213 1.515,1214 1.518,1215 1.48,1216 1.811,1217 0.931,1218 1.702,1219 1.312,1220 1.287,1221 1.31,1222 1.73,1223 0.383,1224 1.638,1225 1.207,1226 1.188,1227 1.239,1228 1.5,1229 0.348,1230 1.449,1231 1.123,1232 1.128,1233 1.081,1234 1.357,1235 0.213,1236 1.328,1237 1.052,1238 1.026,1239 1.062,1240 1.222,1241 0.089,1242 1.222,1243 0.599,1244 0.557,1245 0.795,1246 0.941,1248 0.92,1249 4.234,1251 5.707,1252 3.434,1253 7.392,1254 6.225,1255 9.183,1256 8.659,1257 11.042,1260 38.184,1266 2.307,1270 -2.873,1271 0.459,1272 -6.194,1273 30.447,1274 79.617,1275 146.485,1276 157.995,1277 164.75,1278 170.75,1279 170.75,1280 122.351,1281 8.165,1282 141.05,1283 141.05,1284 21,1285 13.665,1286 3.807,1287 3.459,1288 49.312,1289 112,1290 117,1291 0.227,1292 202.815,1293 374.6,1294 486.628,1295 34604,1296 16.2,1297 23.257,1298 0.75,1299 0.612,1300 26.257,1301 18.981,1302 14.223,1303 0.418,1304 0.305,1305 8.143,1306 12.077,1307 7.893,1308 6.261,1309 15.8,1310 10.384,1311 14.922,1312 0.257,1313 0.176,1314 17.497,1315 10.196,1316 14.053,1317 0.154,1318 0.108,1319 18.122,1320 9.789,1321 11.497,1322 0.088,1323 0.054,1324 14.406,1325 7.034,1326 9.445,1327 0.053,1328 0.028,1329 11.847,1330 5.022,1331 0.343,1332 108.587,1333 0.223,1334 28.014,1335 0.662,1336 184,1337 758.902,1338 321.932,1339 889.399,1340 1108.09,1341 806,1342 241,1343 664.039,1344 403.397,1345 707.222,1346 1081.74,1347 662,1348 5.046}
{0 CHEMBL298653,1 1.383,2 8.591,3 3.977,4 15.816,5 87.127,6 7.471,7 0.48,8 3.771,9 3.874,10 3.349,11 3.411,12 4.867,13 3.377,14 4.299,15 4.44,16 3.734,17 3.843,18 5.356,19 3.783,20 4.593,21 4.786,22 3.803,23 3.962,24 5.635,25 3.879,26 4.603,27 4.806,28 3.652,29 3.87,30 5.671,31 3.771,32 4.512,33 4.732,34 3.518,35 3.701,36 5.621,37 3.608,38 4.329,39 4.537,40 3.438,41 3.545,42 5.584,43 3.467,44 4.175,45 4.38,46 3.28,47 3.457,48 5.245,49 3.372,50 4.109,51 4.316,52 3.112,53 3.367,54 5.123,55 3.258,56 0.035,57 0.499,58 7.672,59 3.707,60 6.849,61 4.648,62 0.081,63 0.847,64 13.818,65 6.593,66 10.777,67 8.633,68 0.097,69 1.112,70 20.604,71 8.997,72 22.101,73 11.887,74 0.18,75 1.11,76 21.686,77 8.841,78 36.086,79 11.413,80 0.212,81 0.987,82 20.793,83 8.097,84 42.957,85 10.361,86 0.323,87 0.826,88 17.188,89 6.552,90 58.386,91 8.448,92 0.135,93 0.724,94 14.211,95 5.654,96 26.438,97 7.29,98 0.125,99 0.68,100 13.256,101 5.293,102 24.819,103 6.857,105 5,106 36,107 0.245,108 0.631,109 0.757,110 0.837,111 0.882,112 0.9,113 3.148,114 0.924,115 -4.91,116 -4.82,117 -4.52,120 48.7,122 4,135 1,136 1,140 6,141 4,142 2,153 1,165 16,168 1,171 1,173 5,176 19,182 2,187 7,190 18,195 3,200 6,203 14,207 3,212 3,215 12,220 2,223 1,224 1,225 3,227 10,231 2,236 4,239 10,245 2,250 3,253 9,258 1,263 1,266 7,270 556,271 15.137,272 15.137,273 15.137,274 15.137,275 15.137,276 13.345,277 13.899,278 8.838,279 15.192,280 12.338,281 12.338,282 12.338,283 12.338,284 12.338,285 9.537,286 13.292,287 4.178,288 12.435,289 3.902,290 1.722,291 1.013,292 0.564,293 0.308,294 0.205,295 3.849,300 1,301 1,302 1,303 423,304 2.236,306 39.382,307 148.012,310 75.718,311 82.899,313 1.174,314 20.342,315 1,316 1,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 46.5,326 189,327 4.56,328 3.655,329 6.743,330 4.2,331 3.208,332 4.22,333 1.058,334 11.004,335 3.181,336 4.418,337 3.309,338 6.608,339 4.06,340 3.072,341 4.041,343 10.446,344 3.033,345 3.743,346 2.757,347 5.699,348 3.376,349 2.382,350 3.15,352 7.58,353 2.365,354 3.522,355 2.55,356 5.427,357 3.125,358 2.115,359 2.819,361 6.514,362 2.128,363 3.126,364 2.059,365 4.784,366 2.76,367 1.773,368 2.31,370 5.036,371 1.745,372 3.021,373 1.846,374 4.684,375 2.652,376 1.668,377 2.163,379 4.763,380 1.637,381 2.839,382 1.512,383 3.725,384 2.421,385 1.422,386 1.97,388 3.075,389 1.419,390 2.54,391 1.431,392 3.614,393 2.359,394 1.354,395 1.519,397 2.935,398 1.358,399 2.406,400 1.24,401 3.571,402 1.867,403 0.889,404 1.267,406 2.233,407 0.864,408 1.994,409 0.984,410 3.443,411 1.85,412 0.85,413 0.954,415 2.046,416 0.849,417 1.481,418 0.527,419 3.029,420 1.233,421 0.27,422 0.313,424 0.672,425 0.258,426 1.226,427 0.45,428 2.536,429 0.772,430 -0.228,431 -0.307,433 -0.56,434 -0.224,435 0.831,436 -0.27,437 2.341,438 0.533,439 -0.472,440 -0.579,442 -1.146,443 -0.473,444 0.69,445 -0.522,446 2.301,447 0.26,448 -0.75,449 -0.915,451 -1.89,452 -0.754,453 0.5,454 -0.624,455 2,456 0.108,457 -0.876,458 -1.061,460 -2.101,461 -0.858,462 10.567,463 0.48,464 0.521,465 0.024,466 29.5,467 1.341,468 16,469 0.727,470 13.5,471 0.614,472 16.208,473 0.737,474 22.433,475 0.575,476 19.577,477 0.89,478 5.541,479 0.252,480 5.197,481 0.236,482 0.063,484 0.379,490 0.782,491 0.927,492 0.789,493 0.849,494 0.687,495 0.821,496 0.472,497 1.063,498 0.819,499 1.022,500 0.491,501 0.976,502 0.758,503 1.064,504 0.869,505 1.046,506 0.739,507 0.985,508 1.194,509 1.09,510 1.107,511 1.108,512 1.118,513 1.098,514 1.431,515 0.967,516 1.018,517 0.963,518 1.445,519 0.946,520 1.206,521 0.904,522 0.947,523 0.887,524 1.282,525 0.888,526 1.258,527 0.988,528 1.026,529 0.964,530 1.247,531 0.963,532 1.239,533 1.115,534 1.179,535 1.104,536 1.262,537 1.128,538 3.5,539 0.016,540 2.889,541 2.014,542 1.204,543 0.681,544 0.416,545 0.286,546 0.145,547 0.047,548 5030,549 11602,550 2.176,551 43.6,552 8,553 7,556 2,560 1.647,561 2.063,562 3.091,563 0.214,565 1,569 53.933,570 1.383,571 3.563,572 4.272,573 4.721,574 4.978,575 5.08,576 2.465,577 4.152,578 4.436,579 3.188,580 736.388,581 7.626,582 7823.97,584 1,585 1,586 1,587 206.131,588 1.322,589 4.403,590 0.14,591 0.004,592 0.08,593 0.054,594 0.04,595 0.026,596 0.017,597 0.014,598 0.009,599 0.005,600 0.389,601 0.83,602 1,603 0.517,604 99.428,605 -0.08,606 0.111,607 0.023,608 0.119,609 -0.062,610 0.09,611 0.118,612 -0.056,613 0.024,614 -0.045,615 0.061,616 -0.03,617 0.029,618 -0.094,619 0.06,620 -0.065,621 0.049,622 -0.009,623 -0.099,624 -0.118,625 -0.132,626 -0.141,627 -0.069,628 -0.14,629 -0.106,630 -0.019,631 0.011,632 0.011,633 -0.086,634 0.022,635 0.202,636 0.068,637 0.082,638 0.076,639 0.17,640 0.063,641 -0.115,642 -0.003,643 -0.04,645 -0.101,646 -0.008,647 -0.146,648 -0.129,649 -0.201,650 -0.144,651 -0.154,652 -0.174,653 1.779,654 5.175,655 0.864,656 13.612,657 0.996,658 1.109,659 3.681,660 13.551,661 0.692,662 3.258,663 3.611,664 3.951,665 4.248,666 4.477,667 4.5,668 4.625,669 4.771,670 4.812,671 4.812,672 5.073,673 0.658,674 291.37,675 3.258,676 4.812,677 5.694,678 6.592,679 7.488,680 8.39,681 9.291,682 10.195,683 11.097,684 12.002,685 2.6,692 1,699 6,704 6,706 12,717 1,720 39,723 14,724 2,725 25,727 42,728 19,729 12,730 6,731 6,732 3,735 4,736 6,745 4,748 4,749 15,750 4,754 2,759 1,761 1,763 2,765 1,768 17,769 3,770 2,771 3,775 1,780 0.5,781 2,788 1,789 3,792 1,793 1,800 1,805 1,806 1,813 2,821 22,827 1,828 4,829 1,840 5.1,842 1,843 1,847 10.667,848 6.95,849 4.75,850 2.536,851 3.081,852 1.42,853 1.02,854 3.179,855 10.422,856 3.526,857 4.143,858 4.766,859 5.344,860 5.896,861 6.162,862 6.556,863 6.982,864 7.312,865 7.586,866 0.833,867 37,868 8.184,870 3.637,871 7.72,872 15.831,874 13.74,877 2.22,878 48.833,882 176.567,883 99.861,884 18.011,886 67.828,889 99.861,890 244.395,891 18.011,893 28.149,894 66.334,895 72.533,896 18.685,898 176.567,900 176.567,901 117.872,902 67.828,905 176.567,906 67.828,909 28.149,910 80.247,911 9.476,913 176.567,914 85.839,915 99.861,918 176.567,919 33.527,920 66.334,921 18.011,922 67.828,923 176.567,924 85.839,925 99.861,927 0.588,928 0.362,929 0.205,930 0.111,931 20,932 8,933 0.024,934 1,935 2,936 1.211,937 3.439,938 184.034,939 0.211,940 19,941 98.107,945 13.443,946 5.202,947 2.229,949 85.839,950 11.632,955 5.069,957 60.694,958 362.267,959 33,964 12.175,966 1.797,968 0.5,969 38.825,970 43.239,971 0.262,972 0.674,973 0.808,974 0.893,975 0.942,976 0.961,977 4.779,978 1.354,979 5.687,980 3.075,981 4.29,982 4.828,983 1.176,984 6.544,985 4.274,986 5.995,987 0.889,988 7.273,989 2.935,990 3.892,991 4.663,993 7.522,994 3.865,995 7.319,996 0.85,997 8.963,998 2.233,999 5.922,1000 7.038,1001 1.255,1002 10.669,1003 5.887,1004 8.682,1005 0.27,1006 10.715,1007 2.046,1008 6.382,1009 7.706,1011 12.491,1012 6.332,1013 10.079,1014 -0.228,1015 12.506,1016 0.672,1017 7.872,1018 9.553,1019 1.338,1020 15.144,1021 7.817,1022 11.502,1023 -0.472,1024 14.322,1025 -0.56,1026 8.724,1027 10.606,1029 17.298,1030 8.653,1031 12.943,1032 -0.75,1033 16.158,1034 -1.146,1035 10.003,1036 12.229,1037 1.422,1038 19.78,1039 9.926,1040 3.208,1041 -0.876,1042 18.007,1043 -1.89,1044 11.027,1045 13.468,1047 22.067,1048 10.936,1049 3.072,1050 11.004,1051 19.866,1052 -2.101,1053 12.224,1054 14.989,1055 1.51,1056 24.487,1057 12.125,1058 2.382,1059 10.446,1060 21.733,1061 4.22,1062 13.321,1063 16.32,1065 26.828,1066 13.21,1067 2.115,1068 7.58,1069 23.607,1070 4.041,1071 14.487,1072 17.793,1073 1.599,1074 29.225,1075 14.368,1076 1.773,1077 6.514,1078 25.485,1079 3.15,1080 15.615,1081 19.17,1083 31.589,1084 15.485,1085 1.668,1086 5.036,1087 27.367,1088 2.819,1089 16.771,1090 20.619,1091 1.69,1092 33.977,1093 16.632,1094 1.422,1095 4.763,1096 29.253,1097 2.31,1098 17.912,1099 22.019,1101 36.352,1102 17.764,1103 4696,1104 7248,1105 17.107,1106 27.006,1107 38.259,1108 39.438,1109 39.296,1110 37.982,1111 38.008,1112 49.453,1113 2.117,1114 112.607,1115 37.674,1116 5.505,1117 5.655,1118 6.427,1119 5.202,1120 5.208,1121 7.22,1122 2.117,1123 18.252,1124 5.181,1125 7.759,1126 1.53,1127 1.578,1128 1.572,1129 1.519,1130 1.52,1131 1.978,1132 0.085,1133 4.504,1134 1.507,1135 4.068,1136 4.09,1137 4.024,1138 4.007,1139 7.429,1140 4.007,1141 3.944,1142 3.972,1143 3.887,1144 3.875,1145 6.468,1146 3.874,1147 3.576,1148 3.621,1149 3.466,1150 3.483,1151 4.789,1152 3.472,1153 3.396,1154 3.432,1155 3.304,1156 3.254,1157 4.607,1158 3.258,1159 3.145,1160 3.211,1161 2.994,1162 2.994,1163 4.165,1164 2.984,1165 2.99,1166 3.055,1167 2.872,1168 2.827,1169 3.974,1170 2.83,1171 2.788,1172 2.851,1173 2.646,1174 2.676,1175 3.804,1176 2.661,1177 2.784,1178 2.841,1179 2.579,1180 2.556,1181 3.551,1182 2.547,1183 0.182,1184 0.146,1185 0.27,1186 0.168,1187 0.128,1188 4.56,1189 0.169,1190 3.655,1191 0.042,1192 6.743,1193 0.44,1194 4.2,1195 0.127,1196 3.208,1197 4.22,1198 1.058,1199 11.004,1200 3.181,1201 2.01,1202 1.989,1203 2.128,1204 2.088,1205 1.437,1206 2.102,1207 1.88,1208 1.856,1209 1.99,1210 1.955,1211 1.12,1212 1.969,1213 1.616,1214 1.576,1215 1.791,1216 1.759,1217 0.967,1218 1.768,1219 1.377,1220 1.343,1221 1.519,1222 1.575,1223 0.763,1224 1.553,1225 1.152,1226 1.088,1227 1.454,1228 1.359,1229 0.614,1230 1.396,1231 1,1232 0.942,1233 1.209,1234 1.21,1235 0.291,1236 1.221,1237 0.793,1238 0.734,1239 1.085,1240 1.048,1241 0.231,1242 1.039,1243 0.764,1244 0.706,1245 1.064,1246 0.979,1247 0.107,1248 1.016,1249 3.932,1251 5.273,1252 2.398,1253 6.825,1254 4.844,1255 8.472,1256 7.018,1257 10.165,1264 10.553,1265 4.247,1266 2.861,1273 25.665,1274 53.933,1275 138.969,1276 166.621,1277 184.131,1278 194.131,1279 198.131,1280 33.871,1281 7.341,1282 53.09,1283 53.09,1284 23,1285 12.521,1286 3.907,1287 3.17,1288 29.855,1289 68,1290 58,1291 0.222,1292 154.819,1293 273.48,1294 369.518,1295 15007,1297 15.104,1298 0.687,1299 0.556,1300 15.104,1301 12.225,1302 10.737,1303 0.429,1304 0.308,1305 7.654,1306 10.545,1307 7.502,1308 6.184,1309 10.737,1310 7.7,1311 9.726,1312 0.27,1313 0.164,1314 9.726,1315 5.906,1316 8.793,1317 0.172,1318 0.089,1319 8.793,1320 4.544,1321 7.584,1322 0.11,1323 0.049,1324 7.584,1325 3.381,1326 6.284,1327 0.072,1328 0.028,1329 6.284,1330 2.434,1331 0.338,1332 65.986,1333 0.242,1334 21.311,1335 0.638,1336 122,1337 306.218,1338 128.372,1339 303.742,1340 422.61,1341 284,1342 148,1343 316.92,1344 154.484,1345 324.542,1346 480.66,1347 308,1348 4.398}
{0 CHEMBL298712,1 1.681,2 17.467,3 1.141,4 1.303,5 159.154,6 7.713,7 0.255,8 4.479,9 4.597,10 4.035,11 3.935,12 5.697,13 3.938,14 5.021,15 5.186,16 4.398,17 4.322,18 6.318,19 4.296,20 5.357,21 5.568,22 4.474,23 4.465,24 6.573,25 4.425,26 5.415,27 5.62,28 4.496,29 4.447,30 6.71,31 4.435,32 5.407,33 5.6,34 4.562,35 4.48,36 6.91,37 4.451,38 5.471,39 5.701,40 4.508,41 4.555,42 6.634,43 4.491,44 5.53,45 5.76,46 4.561,47 4.577,48 6.737,49 4.534,50 5.48,51 5.673,52 4.603,53 4.595,54 6.964,55 4.546,56 0.306,57 1.181,58 15.778,59 6.895,60 32.289,61 9.003,62 0.785,63 1.832,64 30.275,65 11.372,66 122.395,67 15.954,68 1.342,69 2.227,70 48.037,71 14.383,72 178.797,73 20.416,74 1.523,75 2.197,76 52.651,77 14.122,78 248.62,79 19.698,80 1.974,81 2.24,82 51.355,83 14.87,84 360.724,85 20.941,86 1.484,87 2.439,88 55.301,89 16.563,90 200.698,91 24.136,92 1.601,93 2.455,94 60.38,95 17.29,96 257.669,97 24.751,98 2.093,99 2.436,100 54.989,101 17.138,102 389.095,103 23.679,105 135,106 64,107 0.255,108 0.557,109 0.733,110 0.843,111 0.875,112 0.887,113 3.832,114 0.917,115 -2.15,116 -2.2,117 -2.17,120 37,121 2,122 5,126 1,128 4,140 9,141 1,142 2,153 6,161 2,162 1,164 1,165 11,166 1,167 2,168 6,171 5,173 7,176 10,177 1,181 1,182 13,185 5,186 2,187 8,190 7,195 13,196 1,200 4,201 1,203 2,206 6,207 7,210 6,211 1,212 10,215 7,219 1,220 10,223 6,224 1,225 8,227 6,228 1,230 1,231 13,232 1,236 3,237 1,239 10,244 7,245 11,248 5,249 1,250 3,253 18,258 12,261 4,262 2,263 3,266 14,267 1,270 5187,271 29.189,272 29.189,273 29.189,274 29.189,275 29.189,276 26.552,277 35.254,278 17.264,279 29.463,280 23.108,281 23.108,282 23.108,283 23.108,284 23.108,285 18.934,286 36.647,287 8.187,288 23.471,289 4.659,290 2.664,291 1.499,292 0.778,293 0.562,294 0.488,295 4.505,303 1612,304 6.285,306 164.959,307 369.883,313 2.723,314 88.53,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 102,326 786,327 4.274,328 3.95,329 6.717,330 4.115,331 3.149,332 3.954,333 2.612,334 10.801,335 3.038,336 4.256,337 3.789,338 6.129,339 3.874,340 2.889,341 3.484,342 2.341,343 8.985,344 2.838,345 4.064,346 3.777,347 5.987,348 3.773,349 2.79,350 3.414,351 2.024,352 8.375,353 2.736,354 3.961,355 3.73,356 5.926,357 3.726,358 2.748,359 3.306,360 1.979,361 8.213,362 2.683,363 3.851,364 3.625,365 5.798,366 3.513,367 2.512,368 3.144,369 1.953,370 7.646,371 2.507,372 3.76,373 3.582,374 5.371,375 3.44,376 2.452,377 3.004,378 1.912,379 7.038,380 2.422,381 3.638,382 3.492,383 5.212,384 3.335,385 2.322,386 2.847,387 1.888,388 6.469,389 2.338,390 3.582,391 2.747,392 5.065,393 3.204,394 2.222,395 2.774,396 0.634,397 6.058,398 2.173,399 3.438,400 2.574,401 4.911,402 3.057,403 2.041,404 2.59,405 0.33,406 5.237,407 2.046,408 3.051,409 2.556,410 4.577,411 2.832,412 1.841,413 2.117,414 0.296,415 4.9,416 1.809,417 2.947,418 2.068,419 4.187,420 2.502,421 1.5,422 2.045,423 0.11,424 3.6,425 1.5,426 2.89,427 2.007,428 3.945,429 2.332,430 1.346,431 1.992,432 0.059,433 3.232,434 1.317,435 2.518,436 1.935,437 3.754,438 2.264,439 1.273,440 1.5,442 2.965,443 1.259,444 2.5,445 1.9,446 3.69,447 2.057,448 1.059,449 1.5,451 2.676,452 1.049,453 2.5,454 1.491,455 3.534,456 2.002,457 1.002,458 1.462,460 2.427,461 1,462 20.4,463 0.453,464 1.323,465 0.029,466 53.25,467 1.183,468 24.5,469 0.544,470 28.75,471 0.639,472 47.015,473 1.045,474 51.6,475 0.637,476 55.369,477 1.23,478 10.727,479 0.238,480 10.622,481 0.236,482 0.196,484 0.358,490 0.626,491 1.396,492 0.767,493 1.162,494 0.567,495 1.02,496 0.475,497 1.394,498 0.808,499 1.245,500 0.455,501 1.135,502 0.941,503 0.999,504 1.023,505 1.019,506 0.898,507 1.029,508 1.37,509 1.055,510 1.11,511 0.961,512 1.32,513 0.953,514 0.93,515 1.073,516 1.013,517 1.012,518 0.96,519 1.035,520 0.823,521 0.967,522 0.968,523 0.992,524 0.796,525 1.007,526 1.074,527 0.937,528 0.939,529 0.892,530 1.049,531 0.875,532 0.86,533 0.981,534 1.029,535 0.994,536 0.869,537 1.052,538 10.5,539 0.502,540 5.556,541 2.868,542 2.983,543 1.497,544 1.147,545 1.109,546 0.633,547 0.498,548 35034,549 123848,550 1.933,551 44.4,553 15,556 5,557 4,558 12,560 1.83,561 1.765,562 4.025,563 2.154,569 136.165,570 1.681,571 3.676,572 4.841,573 5.562,574 5.778,575 5.852,576 3.502,577 5.181,578 5.457,579 4.248,580 4205.06,581 9.693,582 82931.5,587 513.528,588 1.55,589 5.392,590 0.223,591 0.008,592 0.087,593 0.043,594 0.045,595 0.021,596 0.017,597 0.015,598 0.009,599 0.007,600 0.476,601 0.17,602 0.63,603 1.917,604 266.257,605 -0.001,606 -0.066,607 0.013,608 0.016,609 -0.028,610 0.015,611 0.195,612 -0.194,613 0.043,614 -0.142,615 0.145,616 -0.105,617 -0.059,618 0.066,619 -0.068,620 -0.036,621 -0.074,622 -0.051,623 -0.267,624 -0.056,625 -0.105,626 -0.006,627 -0.193,628 -0.003,629 0.127,630 -0.052,631 -0.029,632 -0.028,633 0.132,634 -0.07,635 -0.008,636 0.057,637 -0.005,638 -0.008,639 -0.033,640 -0.005,641 -0.13,642 0.025,643 0.058,644 0.087,645 -0.099,646 0.123,647 0.133,648 0.04,649 -0.062,650 0.022,651 0.143,652 -0.062,653 2.817,654 6.485,655 0.378,656 69.997,657 1.022,658 1.137,659 0.922,660 0.851,661 0.636,662 3.871,663 4.174,664 4.357,665 4.522,666 4.663,667 4.654,668 4.745,669 4.844,670 4.875,671 4.934,672 10.02,673 0.623,674 624.72,675 3.871,676 5.407,677 6.225,678 7.079,679 7.917,680 8.773,681 9.62,682 10.479,683 11.332,684 12.193,685 7.4,692 5,696 1,699 9,704 3,706 12,715 1,720 81,723 20,724 2,725 47,727 83,728 30,729 12,730 3,731 9,735 3,736 3,741 2,745 3,748 9,749 18,750 12,754 8,756 1,759 8,763 6,768 36,769 14,770 5,771 15,775 6,780 1,781 9,786 1,788 1,789 2,800 4,801 1,802 1,811 1,813 3,817 2,821 45,827 1,828 6,829 4,833 4,834 1,840 11.1,842 1,843 6,846 2,847 25.5,848 14.517,849 10.028,850 4.821,851 1.55,852 1.199,853 0.904,854 13.165,855 9.349,856 4.127,857 4.605,858 4.942,859 5.293,860 5.701,861 5.68,862 5.876,863 6.057,864 6.069,865 6.251,866 0.917,867 66,868 16.967,870 7.483,871 8.33,872 30.489,874 24.491,877 2.83,878 127.333,882 364.904,883 150.847,884 80.837,886 244.3,889 150.847,890 609.204,891 80.837,892 23.32,893 89.946,894 85.286,895 217.986,896 8.699,898 364.904,899 50.747,900 364.904,901 231.685,902 244.3,905 223.651,906 334.806,907 50.747,909 107.596,910 118.418,911 5.67,913 364.904,914 325.137,915 150.847,918 364.904,919 47.911,920 111.731,921 72.043,922 244.3,923 364.904,924 325.137,925 150.847,927 0.582,928 0.326,929 0.159,930 0.085,931 24,932 15,933 0.169,934 14,936 1,937 5.184,938 435.177,940 17,941 235.133,945 35.312,946 16.778,947 10.747,949 319.467,950 14.236,955 0.919,957 114.726,958 840.889,959 61,961 -0.561,964 97.118,968 -4.082,969 82.811,970 92.102,971 0.265,972 0.58,973 0.764,974 0.877,975 0.911,976 0.923,977 5.371,978 2.222,979 6.217,980 6.469,981 4.86,982 5.293,983 3.986,984 6.986,985 4.829,986 6.55,987 2.041,988 7.764,989 6.058,990 4.511,991 5.121,992 3.663,993 7.832,994 4.47,995 7.836,996 1.841,997 9.41,998 5.237,999 6.425,1000 7.286,1001 5.286,1002 10.886,1003 6.349,1004 9.148,1005 1.5,1006 11.11,1007 4.9,1008 6.847,1009 7.849,1010 5.556,1011 12.538,1012 6.755,1013 10.485,1014 1.346,1015 12.847,1016 3.6,1017 8.26,1018 9.554,1019 6.793,1020 15.129,1021 8.134,1022 11.84,1023 1.273,1024 14.608,1025 3.232,1026 9.026,1027 10.44,1028 7.338,1029 17.137,1030 8.875,1031 13.208,1032 1.059,1033 16.388,1034 2.965,1035 10.244,1036 11.97,1037 8.421,1038 19.568,1039 10.061,1040 3.149,1041 1.002,1042 18.183,1043 2.676,1044 11.177,1045 13.026,1046 9.121,1047 21.753,1048 10.963,1049 2.889,1050 10.801,1051 19.989,1052 2.427,1053 12.317,1054 14.476,1055 10.135,1056 24.13,1057 12.071,1058 2.79,1059 8.985,1060 21.805,1061 3.954,1062 13.334,1063 15.634,1064 10.929,1065 26.404,1066 13.053,1067 2.748,1068 8.375,1069 23.63,1070 3.484,1071 14.446,1072 17.042,1073 11.911,1074 28.767,1075 14.131,1076 2.512,1077 8.213,1078 25.462,1079 3.414,1080 15.507,1081 18.268,1082 12.764,1083 31.087,1084 15.155,1085 2.452,1086 7.646,1087 27.301,1088 3.306,1089 16.612,1090 19.654,1091 13.729,1092 33.45,1093 16.225,1094 2.322,1095 7.038,1096 29.146,1097 3.144,1098 17.698,1099 20.926,1100 14.62,1101 35.795,1102 17.273,1103 34924,1104 65845,1105 29.649,1106 51.546,1107 70.562,1108 74.098,1109 72.56,1110 69.597,1111 69.533,1112 86.735,1113 32.277,1114 193.801,1115 68.667,1116 5.263,1117 5.95,1118 6.519,1119 5.171,1120 5.149,1121 6.954,1122 4.612,1123 18.144,1124 5.038,1125 31.817,1126 1.501,1127 1.577,1128 1.544,1129 1.481,1130 1.479,1131 1.845,1132 0.687,1133 4.123,1134 1.461,1135 4.021,1136 4.057,1137 3.97,1138 3.898,1139 7.815,1140 3.902,1141 3.941,1142 3.978,1143 3.878,1144 3.836,1145 7.475,1146 3.837,1147 3.892,1148 3.931,1149 3.815,1150 3.744,1151 7.439,1152 3.756,1153 3.795,1154 3.841,1155 3.712,1156 3.595,1157 7.429,1158 3.615,1159 3.67,1160 3.71,1161 3.604,1162 3.471,1163 7.426,1164 3.488,1165 3.632,1166 3.674,1167 3.551,1168 3.427,1169 7.423,1170 3.445,1171 3.504,1172 3.554,1173 3.429,1174 3.312,1175 7.421,1176 3.315,1177 3.463,1178 3.501,1179 3.366,1180 3.076,1181 6.999,1182 3.16,1183 0.091,1184 0.084,1185 0.143,1186 0.088,1187 0.067,1188 4.274,1189 0.084,1190 3.95,1191 0.056,1192 6.717,1193 0.23,1194 4.115,1195 0.065,1196 3.149,1197 3.954,1198 2.612,1199 10.801,1200 3.038,1201 1.935,1202 1.905,1203 2.058,1204 2.09,1205 1.248,1206 2.06,1207 1.905,1208 1.877,1209 2.006,1210 2.018,1211 1.209,1212 2.021,1213 1.738,1214 1.692,1215 1.914,1216 1.97,1217 1.125,1218 1.951,1219 1.673,1220 1.631,1221 1.864,1222 1.892,1223 1.082,1224 1.875,1225 1.625,1226 1.576,1227 1.849,1228 1.836,1229 1.08,1230 1.832,1231 1.54,1232 1.483,1233 1.768,1234 1.75,1235 0.983,1236 1.762,1237 1.507,1238 1.46,1239 1.729,1240 1.746,1241 0.909,1242 1.727,1243 1.366,1244 1.298,1245 1.611,1246 1.65,1247 0.863,1248 1.623,1249 4.554,1251 5.861,1252 2.398,1253 7.332,1254 4.595,1255 8.877,1256 6.605,1257 10.463,1259 2.842,1264 8.707,1265 0.53,1266 10.322,1270 -4.034,1271 1.337,1273 50.464,1274 136.165,1275 297.733,1276 392.105,1277 450.508,1278 468.018,1279 474.018,1280 230.853,1281 7.799,1282 219.83,1283 219.83,1284 17,1285 12.745,1286 4.392,1287 3.907,1288 105.621,1289 265,1290 312,1291 0.186,1292 315.036,1293 579.47,1294 760.449,1295 28572,1297 33.095,1298 0.735,1299 0.552,1300 33.095,1301 24.856,1302 21.349,1303 0.454,1304 0.306,1305 14.13,1306 20.268,1307 13.859,1308 11.452,1309 21.349,1310 14.37,1311 19.548,1312 0.305,1313 0.166,1314 19.548,1315 10.647,1316 15.034,1317 0.195,1318 0.093,1319 15.034,1320 7.166,1321 11.308,1322 0.124,1323 0.052,1324 11.308,1325 4.774,1326 8.64,1327 0.082,1328 0.028,1329 8.64,1330 2.983,1331 0.299,1332 136.206,1333 0.184,1334 39.966,1335 0.493,1336 222,1337 832.656,1338 254.639,1339 780.508,1340 997.45,1341 714,1342 252,1343 684.551,1344 282.1,1345 674.942,1346 968.29,1347 633,1348 4.111}
{0 CHEMBL320814,1 1.653,2 19.548,3 4.107,4 16.867,5 221.659,6 7.043,7 0.091,8 4.902,9 5.026,10 4.387,11 4.383,12 5.971,13 3.604,14 5.509,15 5.69,16 4.819,17 4.833,18 6.591,19 3.979,20 5.884,21 6.093,22 4.94,23 5.054,24 6.939,25 4.108,26 6.043,27 6.281,28 4.963,29 5.089,30 7.115,31 4.095,32 6.025,33 6.248,34 5.01,35 5.074,36 7.309,37 4.083,38 6.039,39 6.262,40 5.037,41 5.17,42 7.151,43 4.051,44 6.151,45 6.384,46 5.109,47 5.238,48 7.234,49 3.991,50 6.243,51 6.482,52 5.167,53 5.279,54 7.448,55 3.844,56 0.288,57 1.824,58 28.651,59 12.382,60 38.933,61 5.941,62 0.946,63 3.024,64 56.299,65 21.447,66 145.264,67 10.295,68 1.679,69 3.956,70 87.283,71 29.675,72 234.761,73 12.922,74 2.08,75 4.344,76 104.697,77 31.642,78 296.158,79 13.497,80 3.056,81 4.223,82 102.109,83 29.913,84 481.392,85 12.767,86 2.347,87 4.574,88 102.53,89 34.14,90 348.861,91 12.644,92 2.023,93 4.822,94 114.23,95 35.869,96 325.608,97 12.582,98 3.261,99 4.925,100 128.126,101 37.835,102 528.097,103 12.223,104 1,105 359,106 98,107 0.232,108 0.495,109 0.711,110 0.834,111 0.857,112 0.868,113 4.145,114 1.009,115 0.39,116 0.22,117 -0.02,120 34.1,121 7,122 9,123 4,124 1,126 1,128 6,129 1,130 1,140 4,141 1,142 1,153 7,158 1,159 1,160 1,162 2,164 2,165 19,166 2,167 2,168 7,171 6,173 7,176 21,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 16,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 6,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 10,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 21,228 1,229 1,230 1,231 25,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 18,246 1,247 1,248 5,249 2,250 9,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 18,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 36,267 1,268 2,270 11156,271 39.459,272 39.459,273 39.459,274 39.459,275 39.459,276 37.642,277 43.69,278 22.418,279 40.054,280 32.42,281 32.42,282 32.42,283 32.42,284 32.42,285 29.395,286 47.027,287 10.569,288 33.438,289 5.325,290 3.45,291 1.911,292 1.032,293 0.867,294 0.788,295 4.825,298 1,303 2551,304 7.81,305 150.69,306 395.549,307 684.278,310 636.199,313 3.044,314 120.99,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 137.833,326 1212,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.615,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 4.016,364 3.668,365 6.223,366 3.828,367 2.842,368 3.196,369 1.956,370 9.153,371 2.796,372 3.993,373 3.612,374 6.099,375 3.736,376 2.764,377 3.146,378 1.928,379 8.795,380 2.699,381 3.88,382 3.585,383 6.063,384 3.621,385 2.654,386 3.017,387 1.905,388 8.593,389 2.571,390 3.764,391 3.527,392 5.799,393 3.571,394 2.578,395 2.909,396 0.632,397 7.733,398 2.557,399 3.621,400 3.315,401 5.64,402 3.493,403 2.553,404 2.728,405 0.382,406 7.146,407 2.337,408 3.527,409 2.967,410 5.409,411 3.186,412 2.179,413 2.69,414 0.265,415 6.572,416 2.166,417 3.452,418 2.772,419 5.302,420 3.072,421 2.095,422 2.608,423 0.159,424 6.094,425 2.055,426 3.404,427 2.637,428 4.89,429 3.051,430 2.067,431 2.586,432 0.107,433 5.693,434 2.019,435 3.245,436 2.526,437 4.69,438 3,439 2.056,440 2.273,441 0.014,442 5.159,443 1.89,444 3.004,445 2.441,446 4.66,447 2.916,448 1.953,449 2.005,451 5.09,452 1.812,453 2.967,454 2.316,455 4.652,456 2.812,457 1.8,458 1.968,460 4.603,461 1.792,462 28.948,463 0.467,464 2.319,465 0.037,466 56.25,467 0.907,468 16.5,469 0.266,470 39.75,471 0.641,472 104.746,473 1.689,474 73.652,475 0.585,476 63.757,477 1.028,478 9.689,479 0.156,480 19.336,481 0.312,482 0.263,483 0.035,484 0.382,490 0.836,491 1.453,492 0.809,493 1.25,494 0.652,495 0.915,496 0.554,497 1.302,498 0.754,499 1.149,500 0.446,501 0.981,502 0.976,503 1.158,504 1.02,505 1.156,506 0.888,507 1.068,508 1.225,509 1.157,510 0.962,511 1.074,512 1.052,513 0.956,514 1.135,515 1.02,516 0.917,517 0.921,518 1.087,519 0.959,520 0.984,521 1.141,522 0.946,523 1.122,524 0.968,525 0.92,526 1.02,527 1.135,528 0.926,529 1.082,530 0.924,531 1.017,532 1.009,533 0.905,534 0.904,535 0.859,536 1.028,537 0.966,538 18,539 1.009,540 9.778,541 6.097,542 4.966,543 2.799,544 2.199,545 1.886,546 1.607,547 1.162,548 81788,549 229652,550 1.931,551 50.8,552 23,553 12,554 1,556 8,557 4,558 14,559 2,560 1.904,561 1.73,562 4.174,563 4.09,569 208.244,570 1.653,571 3.527,572 5.067,573 5.945,574 6.11,575 6.189,576 3.604,577 5.664,578 5.926,579 4.432,580 8381.48,581 10.636,582 202756,587 879.137,588 1.735,589 5.828,590 0.273,591 0.009,592 0.102,593 0.06,594 0.048,595 0.026,596 0.019,597 0.015,598 0.013,599 0.009,600 0.574,601 0.17,602 0.38,603 2.149,604 396.933,605 -0.134,606 -0.069,607 0.01,608 -0.009,609 -0.058,610 0.03,611 0.18,612 -0.075,613 0.103,614 -0.014,615 0.143,616 -0.031,617 -0.01,618 -0.003,619 -0.087,620 -0.073,621 -0.057,622 -0.109,623 -0.131,624 -0.037,625 -0.03,626 -0.022,627 -0.076,628 0.007,629 0.068,630 0.057,631 -0.01,632 0.071,633 0.108,634 -0.019,635 0.027,636 0.041,637 -0.037,638 -0.016,639 -0.006,640 0.036,641 -0.07,642 -0.07,643 -0.026,644 -0.073,645 -0.015,646 -0.047,647 0.037,648 0.045,649 0.014,650 0.062,651 0.066,652 0.015,653 3.013,654 7.392,655 0.339,656 103.897,657 1.007,658 1.137,659 -1.617,660 2.615,661 0.628,662 4.205,663 4.595,664 4.852,665 5.088,666 5.298,667 5.416,668 5.537,669 5.69,670 5.781,671 5.883,672 11.612,673 0.651,674 887.39,675 4.205,676 5.796,677 6.658,678 7.568,679 8.459,680 9.377,681 10.285,682 11.21,683 12.13,684 13.065,685 4.8,686 1,692 5,699 4,704 2,706 6,719 1,720 126,721 1,723 13,724 1,725 66,727 130,728 43,729 6,730 2,731 4,735 5,736 8,737 1,741 7,742 1,744 1,745 6,746 3,748 15,749 13,750 30,751 5,754 7,759 7,763 7,768 64,769 17,770 8,771 19,772 1,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 7,818 1,821 62,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 2,839 1,840 8.7,842 2,843 7,844 2,847 35.833,848 23.66,849 13.319,850 7.977,851 0.579,852 1.064,853 0.959,854 16.763,855 9.696,856 4.344,857 4.808,858 5.113,859 5.418,860 5.736,861 5.72,862 5.82,863 6.037,864 6.174,865 6.38,866 0.923,867 102,868 23.704,870 10.825,871 8.058,872 43.857,874 37.713,877 2.558,878 158.611,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.601,928 0.343,929 0.171,930 0.093,931 43,932 26,933 0.154,934 20,935 3,936 1.238,937 6.085,938 729.813,939 0.286,940 20,941 359.16,945 49.917,946 20.821,947 11.793,949 150.083,950 7.534,955 1.651,957 60.694,958 547.756,959 76,964 91.241,968 -6.006,969 126.93,970 143.223,971 0.237,972 0.506,973 0.726,974 0.852,975 0.876,976 0.887,977 5.675,978 2.578,979 6.718,980 8.593,981 5.283,982 5.497,983 3.946,984 7.624,985 5.225,986 6.871,987 2.553,988 8.355,989 7.733,990 5.198,991 5.472,992 3.633,993 8.925,994 5.111,995 8.196,996 2.179,997 10.107,998 7.146,999 7.022,1000 7.417,1001 5.157,1002 12.054,1003 6.907,1004 9.547,1005 2.095,1006 11.929,1007 6.572,1008 7.724,1009 8.114,1010 5.443,1011 14.245,1012 7.587,1013 10.932,1014 2.067,1015 13.803,1016 6.094,1017 9.127,1018 9.638,1019 6.551,1020 17.039,1021 8.965,1022 12.339,1023 2.056,1024 15.715,1025 5.693,1026 10.163,1027 10.626,1028 7.097,1029 19.575,1030 9.982,1031 13.767,1032 1.953,1033 17.658,1034 5.159,1035 11.455,1036 12.015,1037 8.039,1038 22.307,1039 11.253,1040 3.847,1041 1.8,1042 19.627,1043 5.09,1044 12.638,1045 13.135,1046 8.718,1047 24.973,1048 12.42,1049 3.203,1050 15.757,1051 21.617,1052 4.603,1053 13.916,1054 14.479,1055 9.589,1056 27.705,1057 13.679,1058 3.173,1059 12.336,1060 23.625,1061 3.847,1062 15.17,1063 15.669,1064 10.339,1065 30.421,1066 14.917,1067 2.989,1068 11.03,1069 25.646,1070 3.615,1071 16.46,1072 16.997,1073 11.182,1074 33.16,1075 16.191,1076 2.842,1077 9.697,1078 27.68,1079 3.454,1080 17.75,1081 18.229,1082 11.971,1083 35.897,1084 17.465,1085 2.764,1086 9.153,1087 29.724,1088 3.282,1089 19.056,1090 19.552,1091 12.805,1092 38.644,1093 18.755,1094 2.654,1095 8.795,1096 31.777,1097 3.196,1098 20.366,1099 20.813,1100 13.616,1101 41.39,1102 20.05,1103 79515,1104 133479,1105 40.805,1106 79.075,1107 102.819,1108 107.445,1109 107.248,1110 101.626,1111 101.308,1112 113.035,1113 32.089,1114 309.68,1115 98.37,1116 5.847,1117 5.976,1118 7.63,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 49.508,1126 1.558,1127 1.628,1128 1.625,1129 1.54,1130 1.535,1131 1.713,1132 0.486,1133 4.692,1134 1.49,1135 4.102,1136 4.134,1137 4.035,1138 4.019,1139 7.478,1140 3.921,1141 3.969,1142 4.013,1143 3.979,1144 3.883,1145 7.472,1146 3.837,1147 3.908,1148 3.94,1149 3.874,1150 3.777,1151 7.439,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.685,1157 7.429,1158 3.473,1159 3.773,1160 3.821,1161 3.686,1162 3.608,1163 7.426,1164 3.293,1165 3.695,1166 3.748,1167 3.603,1168 3.573,1169 7.423,1170 3.068,1171 3.657,1172 3.699,1173 3.565,1174 3.533,1175 7.421,1176 2.932,1177 3.623,1178 3.667,1179 3.514,1180 3.484,1181 6.352,1182 2.771,1183 0.073,1184 0.06,1185 0.124,1186 0.073,1187 0.058,1188 4.847,1189 0.058,1190 3.976,1191 0.035,1192 8.155,1193 0.239,1194 4.827,1195 0.057,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.922,1208 1.897,1209 2.041,1210 2.019,1211 1.303,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2,1217 1.277,1218 1.892,1219 1.756,1220 1.709,1221 1.959,1222 1.96,1223 1.239,1224 1.772,1225 1.699,1226 1.65,1227 1.913,1228 1.894,1229 1.216,1230 1.588,1231 1.665,1232 1.621,1233 1.867,1234 1.842,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.826,1241 1.05,1242 1.389,1243 1.559,1244 1.505,1245 1.788,1246 1.732,1247 1.018,1248 1.224,1249 4.89,1251 6.279,1252 3.045,1253 7.849,1254 5.416,1255 9.516,1256 7.564,1257 11.248,1259 13.519,1260 6.153,1263 5.664,1264 18.3,1265 2.673,1266 10.892,1267 13.465,1269 -0.702,1270 -6.89,1271 1.492,1272 -0.374,1273 33.733,1274 208.244,1275 444.418,1276 638.395,1277 749.098,1278 769.853,1279 779.853,1280 320.757,1281 9.117,1282 255.79,1283 255.79,1284 26,1285 13.567,1286 3.807,1287 3.459,1288 127.352,1289 435,1290 444,1291 0.138,1292 459.521,1293 867.14,1294 1112.99,1295 141787,1296 0.8,1297 45.844,1298 0.739,1299 0.605,1300 46.344,1301 37.536,1302 29.025,1303 0.44,1304 0.336,1305 21.588,1306 27.556,1307 20.851,1308 17.214,1309 29.313,1310 22.196,1311 28.532,1312 0.291,1313 0.198,1314 28.94,1315 19.402,1316 22.326,1317 0.176,1318 0.109,1319 22.615,1320 13.861,1321 17.671,1322 0.11,1323 0.06,1324 17.838,1325 9.731,1326 13.738,1327 0.069,1328 0.034,1329 13.974,1330 6.725,1331 0.22,1332 185.981,1333 0.157,1334 50.654,1335 0.367,1336 328,1337 1000.78,1338 383.335,1339 964.436,1340 1245.48,1341 888,1342 389,1343 836.081,1344 436.367,1345 844.269,1346 1241.24,1347 793,1348 7.187}
{0 CHEMBL322110,1 1.583,2 18.759,3 3.118,4 9.724,5 205.908,6 6.552,8 4.884,9 5.016,10 4.3,11 4.331,12 5.924,13 3.604,14 5.504,15 5.699,16 4.728,17 4.782,18 6.549,19 3.979,20 5.879,21 6.098,22 4.857,23 5.013,24 6.908,25 4.108,26 6.052,27 6.303,28 4.915,29 5.061,30 7.099,31 4.095,32 6.016,33 6.244,34 4.969,35 5.045,36 7.296,37 4.083,38 6.033,39 6.26,40 4.983,41 5.136,42 7.135,43 4.051,44 6.151,45 6.389,46 5.035,47 5.201,48 7.217,49 3.991,50 6.238,51 6.484,52 5.062,53 5.243,54 7.418,55 3.844,56 0.248,57 1.792,58 30.087,59 12.252,60 35.127,61 5.941,62 0.908,63 2.948,64 57.539,65 20.889,66 141.841,67 10.295,68 1.554,69 3.831,70 85.726,71 28.434,72 220.781,73 12.922,74 1.93,75 4.172,76 103.316,77 30.122,78 280.324,79 13.497,80 2.958,81 4.061,82 101.436,83 28.608,84 470.826,85 12.767,86 2.298,87 4.402,88 100.939,89 32.693,90 333.834,91 12.644,92 1.947,93 4.546,94 113.014,95 33.756,96 313.632,97 12.582,98 3.001,99 4.73,100 124.687,101 35.823,102 517.838,103 12.223,104 1,105 415,106 91,107 0.224,108 0.438,109 0.669,110 0.808,111 0.85,112 0.861,113 4.08,114 1.034,115 1.1,116 0.89,117 0.59,120 32,121 9,122 9,123 5,124 1,126 1,128 6,129 1,130 1,153 7,158 1,159 1,160 1,162 2,164 2,165 17,166 2,167 2,168 7,171 6,173 7,176 16,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 10,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 3,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 9,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 11,226 1,227 20,228 1,229 1,230 1,231 21,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 16,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 14,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 28,267 1,268 2,270 9264,271 36.442,272 36.442,273 36.442,274 36.442,275 36.442,276 35.402,277 38.451,278 20.679,279 36.902,280 29.954,281 29.954,282 29.954,283 29.954,284 29.954,285 28.034,286 42.998,287 9.732,288 30.695,289 5.383,290 3.866,291 2.23,292 1.249,293 0.95,294 0.87,295 4.751,303 2261,304 7.937,305 140.865,306 371.755,307 402.352,310 596.161,313 3.025,314 116.069,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 129.5,326 1088,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.282,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.196,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.842,368 3.146,369 1.956,370 9.151,371 2.796,372 3.883,373 3.612,374 6.099,375 3.733,376 2.759,377 3.017,378 1.928,379 8.794,380 2.698,381 3.765,382 3.585,383 6.063,384 3.583,385 2.627,386 2.909,387 1.905,388 8.592,389 2.568,390 3.627,391 3.527,392 5.799,393 3.542,394 2.562,395 2.69,396 0.632,397 7.733,398 2.406,399 3.527,400 3.315,401 5.639,402 3.186,403 2.183,404 2.634,405 0.382,406 6.576,407 2.167,408 3.452,409 2.761,410 5.302,411 3.175,412 2.178,413 2.605,414 0.265,415 6.094,416 2.153,417 3.253,418 2.624,419 4.696,420 3.072,421 2.067,422 2.279,423 0.159,424 5.192,425 2.055,426 3.176,427 2.442,428 4.687,429 3.049,430 2.056,431 2.177,432 0.107,433 5.159,434 2.015,435 3.004,436 2.316,437 4.66,438 2.919,439 1.952,440 2.005,441 0.014,442 5.09,443 1.879,444 2.963,445 2.248,446 4.651,447 2.812,448 1.8,449 1.962,451 4.601,452 1.812,453 2.769,454 2.156,455 4.631,456 2.584,457 1.575,458 1.734,460 4.345,461 1.581,462 26.733,463 0.461,464 2.289,465 0.039,466 47.5,467 0.819,468 10.5,469 0.181,470 37,471 0.638,472 102.863,473 1.774,474 71.067,475 0.569,476 53.204,477 0.917,478 7.634,479 0.132,480 19.335,481 0.333,482 0.296,483 0.037,484 0.395,490 0.853,491 1.544,492 0.939,493 1.382,494 0.661,495 0.915,496 0.547,497 1.331,498 0.824,499 1.213,500 0.437,501 0.981,502 0.964,503 1.193,504 1.069,505 1.207,506 0.875,507 1.068,508 1.212,509 1.141,510 0.99,511 1.065,512 1.025,513 0.956,514 1.172,515 1.054,516 1.051,517 0.978,518 1.097,519 0.959,520 1.027,521 1.21,522 1.041,523 1.221,524 0.976,525 0.92,526 1.087,527 1.1,528 1.049,529 1.07,530 0.95,531 1.017,532 0.986,533 0.942,534 1.038,535 0.93,536 1.051,537 0.966,538 17.5,539 0.774,540 9.333,541 6.097,542 4.784,543 2.764,544 2.24,545 1.846,546 1.458,547 1.141,548 66773,549 171326,550 1.89,551 53.6,552 30,553 8,554 1,556 8,557 4,558 14,559 2,560 1.888,561 1.681,562 4.133,563 4.171,569 197.854,570 1.583,571 3.1,572 4.736,573 5.717,574 6.015,575 6.095,576 3.582,577 5.522,578 5.831,579 4.386,580 7249.43,581 10.437,582 166993,587 870.723,588 1.738,589 5.719,590 0.287,591 0.008,592 0.105,593 0.064,594 0.048,595 0.027,596 0.021,597 0.016,598 0.013,599 0.01,600 0.599,601 0.17,602 0.5,603 2.385,604 365.065,605 -0.134,606 -0.094,607 0.014,608 -0.027,609 -0.059,610 0.03,611 0.194,612 -0.077,613 0.128,614 -0.016,615 0.148,616 -0.031,617 0.006,618 -0.015,619 -0.077,620 -0.081,621 -0.049,622 -0.109,623 -0.111,624 -0.025,625 0.024,626 0.006,627 -0.058,628 0.007,629 0.08,630 0.052,631 -0.003,632 0.067,633 0.117,634 -0.019,635 0.03,636 0.029,637 -0.038,638 -0.04,639 -0.006,640 0.036,641 -0.094,642 -0.065,643 -0.051,644 -0.063,645 -0.023,646 -0.047,647 0.044,648 0.009,649 -0.033,650 0.008,651 0.064,652 0.015,653 3.007,654 7.28,655 0.259,656 92.592,657 1.004,658 1.142,659 -2.327,660 5.417,661 0.608,662 4.127,663 4.522,664 4.771,665 5.011,666 5.215,667 5.352,668 5.472,669 5.606,670 5.656,671 5.707,672 11.186,673 0.651,674 818.94,675 4.127,676 5.72,677 6.581,678 7.495,679 8.389,680 9.311,681 10.223,682 11.154,683 12.078,684 13.017,685 4.8,686 1,692 5,720 125,721 1,723 7,725 61,727 128,728 40,735 4,736 7,741 9,742 1,744 1,745 6,746 3,748 15,749 7,750 33,751 6,754 7,759 7,763 7,768 67,769 17,770 8,771 18,775 6,780 0.5,781 11,786 1,787 1,788 2,789 2,792 2,800 4,801 1,802 2,807 1,811 2,813 2,817 9,821 58,822 1,827 2,828 10,829 4,830 2,832 1,833 12,834 1,835 2,840 8.8,842 2,843 7,844 2,847 34.5,848 24.017,849 12.486,850 8.094,851 0.166,852 1.019,853 0.959,854 16.455,855 9.1,856 4.234,857 4.663,858 4.913,859 5.17,860 5.412,861 5.476,862 5.609,863 5.768,864 5.778,865 5.855,866 1,867 95,868 22.234,870 10.108,871 8.06,872 41.267,874 35.439,877 2.56,878 148.5,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.602,928 0.338,929 0.169,930 0.092,931 39,932 25,933 0.156,934 20,935 3,936 1.333,937 5.751,938 658.877,939 0.4,940 14,941 331.763,945 48.073,946 19.852,947 11.418,949 150.083,957 60.694,958 547.756,959 68,964 90.707,968 -5.891,969 125.49,970 142.694,971 0.227,972 0.445,973 0.68,974 0.821,975 0.864,976 0.875,977 5.58,978 2.562,979 6.65,980 8.592,981 5.209,982 5.352,983 3.946,984 7.568,985 5.16,986 6.772,987 2.183,988 8.297,989 7.733,990 5.165,991 5.38,992 3.633,993 8.899,994 5.097,995 8.098,996 2.178,997 10.057,998 6.576,999 6.961,1000 7.209,1001 5.157,1002 12.03,1003 6.857,1004 9.451,1005 2.067,1006 11.889,1007 6.094,1008 7.692,1009 7.98,1010 5.443,1011 14.235,1012 7.569,1013 10.839,1014 2.056,1015 13.771,1016 5.192,1017 9.086,1018 9.391,1019 6.551,1020 17.031,1021 8.931,1022 12.251,1023 1.952,1024 15.69,1025 5.159,1026 10.139,1027 10.456,1028 7.097,1029 19.572,1030 9.966,1031 13.683,1032 1.8,1033 17.64,1034 5.09,1035 11.43,1036 11.75,1037 8.039,1038 22.306,1039 11.232,1040 3.847,1041 1.575,1042 19.613,1043 4.601,1044 12.623,1045 12.937,1046 8.718,1047 24.972,1048 12.409,1049 3.203,1050 15.757,1051 21.607,1052 4.345,1053 13.902,1054 14.209,1055 9.589,1056 27.704,1057 13.668,1058 3.173,1059 12.336,1060 23.617,1061 3.847,1062 15.161,1063 15.452,1064 10.339,1065 30.421,1066 14.91,1067 2.989,1068 11.03,1069 25.641,1070 3.454,1071 16.452,1072 16.729,1073 11.182,1074 33.16,1075 16.185,1076 2.842,1077 9.697,1078 27.677,1079 3.282,1080 17.745,1081 18.003,1082 11.971,1083 35.897,1084 17.461,1085 2.759,1086 9.151,1087 29.722,1088 3.196,1089 19.052,1090 19.292,1091 12.805,1092 38.644,1093 18.752,1094 2.627,1095 8.794,1096 31.775,1097 3.146,1098 20.364,1099 20.585,1100 13.616,1101 41.39,1102 20.048,1103 65860,1104 106035,1105 36.934,1106 75.978,1107 95.285,1108 99.995,1109 99.935,1110 94.012,1111 93.892,1112 101.267,1113 32.089,1114 288.682,1115 91.776,1116 5.847,1117 5.976,1118 7.63,1119 5.959,1120 5.847,1121 5.847,1122 3.925,1123 24.986,1124 5.774,1125 48.735,1126 1.562,1127 1.639,1128 1.638,1129 1.541,1130 1.539,1131 1.66,1132 0.526,1133 4.732,1134 1.505,1135 4.099,1136 4.131,1137 4.015,1138 4.015,1139 7.478,1140 3.921,1141 3.959,1142 4.007,1143 3.879,1144 3.795,1145 7.472,1146 3.837,1147 3.861,1148 3.909,1149 3.782,1150 3.69,1151 7.439,1152 3.649,1153 3.786,1154 3.839,1155 3.69,1156 3.669,1157 7.429,1158 3.473,1159 3.754,1160 3.809,1161 3.629,1162 3.597,1163 7.426,1164 3.293,1165 3.689,1166 3.744,1167 3.579,1168 3.541,1169 7.423,1170 3.068,1171 3.654,1172 3.699,1173 3.524,1174 3.484,1175 7.421,1176 2.932,1177 3.561,1178 3.604,1179 3.44,1180 3.464,1181 6.352,1182 2.771,1183 0.079,1184 0.065,1185 0.134,1186 0.079,1187 0.063,1188 4.847,1189 0.063,1190 3.976,1191 0.038,1192 8.155,1193 0.258,1194 4.827,1195 0.062,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.817,1208 1.77,1209 2.028,1210 2.019,1211 1.357,1212 2.005,1213 1.793,1214 1.741,1215 2.003,1216 1.966,1217 1.277,1218 1.892,1219 1.753,1220 1.706,1221 1.959,1222 1.942,1223 1.24,1224 1.772,1225 1.697,1226 1.645,1227 1.913,1228 1.89,1229 1.217,1230 1.588,1231 1.63,1232 1.578,1233 1.863,1234 1.828,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.816,1241 1.05,1242 1.389,1243 1.519,1244 1.453,1245 1.756,1246 1.728,1247 1.018,1248 1.224,1249 4.812,1251 6.205,1252 3.045,1253 7.777,1254 5.416,1255 9.449,1256 7.564,1257 11.188,1259 17.836,1263 5.652,1264 18.25,1265 3.216,1266 10.891,1267 13.357,1269 -0.622,1270 -6.121,1271 1.509,1272 -0.285,1273 33.733,1274 197.854,1275 387.476,1276 591.945,1277 714.645,1278 751.929,1279 761.929,1280 341.997,1281 8.934,1282 255.79,1283 255.79,1284 20,1285 13.516,1286 3,1287 3,1288 132.989,1289 392,1290 392,1291 0.16,1292 438.586,1293 831.21,1294 1061.91,1295 118352,1297 43.438,1298 0.749,1299 0.615,1300 43.438,1301 35.67,1302 26.969,1303 0.442,1304 0.345,1305 20.757,1306 25.809,1307 19.972,1308 16.607,1309 26.969,1310 21.017,1311 26.8,1312 0.295,1313 0.206,1314 26.8,1315 18.772,1316 20.36,1317 0.174,1318 0.111,1319 20.36,1320 13.007,1321 16.151,1322 0.108,1323 0.061,1324 16.151,1325 9.145,1326 12.392,1327 0.068,1328 0.034,1329 12.392,1330 6.264,1331 0.257,1332 170.472,1333 0.165,1334 48.147,1335 0.426,1336 304,1337 916.575,1338 343.816,1339 850.396,1340 1099.26,1341 782,1342 360,1343 753.218,1344 397.608,1345 749.899,1346 1104.51,1347 703,1348 6.523}
{0 CHEMBL322933,1 1.573,2 18.847,3 3.574,4 12.777,5 210.509,6 6.508,8 4.906,9 5.039,10 4.316,11 4.354,12 5.938,13 3.604,14 5.527,15 5.723,16 4.74,17 4.804,18 6.562,19 3.979,20 5.902,21 6.124,22 4.868,23 5.033,24 6.92,25 4.108,26 6.071,27 6.324,28 4.925,29 5.08,30 7.11,31 4.095,32 6.036,33 6.266,34 4.972,35 5.061,36 7.304,37 4.083,38 6.052,39 6.284,40 4.987,41 5.153,42 7.136,43 4.051,44 6.159,45 6.398,46 5.054,47 5.224,48 7.219,49 3.991,50 6.265,51 6.512,52 5.087,53 5.255,54 7.437,55 3.844,56 0.238,57 1.831,58 30.936,59 12.594,60 34.135,61 5.941,62 0.895,63 3.01,64 59.008,65 21.455,66 140.683,67 10.295,68 1.537,69 3.907,70 87.74,71 29.14,72 219.116,73 12.922,74 1.893,75 4.249,76 105.137,77 30.812,78 276.455,79 13.497,80 2.953,81 4.111,82 103.361,83 29.222,84 468.516,85 12.767,86 2.229,87 4.457,88 102.812,89 33.201,90 331.611,91 12.644,92 1.844,93 4.74,94 113.564,95 35.039,96 305.122,97 12.582,98 3.133,99 4.781,100 128.507,101 36.252,102 510.943,103 12.223,104 1,105 418,106 92,107 0.221,108 0.433,109 0.667,110 0.811,111 0.852,112 0.863,113 4.096,114 1.041,115 0.93,116 0.73,117 0.44,120 32,121 9,122 10,123 5,124 1,126 1,128 6,129 1,130 1,153 7,158 1,159 1,160 1,162 2,164 2,165 18,166 2,167 2,168 7,171 6,173 7,176 17,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 11,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 5,206 8,207 11,208 1,210 6,211 2,212 9,213 1,215 9,217 1,219 3,220 11,221 1,222 1,223 7,224 4,225 13,226 1,227 20,228 1,229 1,230 1,231 24,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 17,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 18,254 2,255 1,256 1,257 1,258 16,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 32,267 1,268 2,270 9773,271 37.149,272 37.149,273 37.149,274 37.149,275 37.149,276 36.109,277 38.451,278 21.166,279 37.609,280 30.454,281 30.454,282 30.454,283 30.454,284 30.454,285 28.534,286 42.998,287 9.961,288 31.195,289 5.427,290 3.924,291 2.262,292 1.235,293 0.944,294 0.866,295 4.768,303 2308,304 8,305 143.904,306 379.509,307 410.983,310 608.946,313 3.052,314 116.744,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 131.5,326 1112,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.164,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.282,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.196,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.841,368 3.146,369 1.956,370 9.149,371 2.796,372 3.882,373 3.612,374 6.098,375 3.732,376 2.758,377 3.017,378 1.928,379 8.792,380 2.698,381 3.764,382 3.585,383 6.063,384 3.581,385 2.623,386 2.909,387 1.905,388 8.591,389 2.568,390 3.621,391 3.527,392 5.799,393 3.535,394 2.561,395 2.69,396 0.632,397 7.733,398 2.386,399 3.527,400 3.315,401 5.639,402 3.214,403 2.217,404 2.628,405 0.382,406 6.574,407 2.203,408 3.452,409 2.758,410 5.302,411 3.186,412 2.179,413 2.605,414 0.265,415 6.094,416 2.166,417 3.251,418 2.623,419 4.69,420 3.072,421 2.068,422 2.277,423 0.159,424 5.186,425 2.055,426 3.212,427 2.442,428 4.669,429 3.05,430 2.056,431 2.214,432 0.107,433 5.159,434 2.019,435 3.004,436 2.316,437 4.66,438 2.925,439 1.957,440 2.005,441 0.014,442 5.09,443 1.886,444 2.968,445 2.245,446 4.651,447 2.812,448 1.8,449 1.968,451 4.604,452 1.812,453 2.769,454 2.199,455 4.632,456 2.588,457 1.581,458 1.734,460 4.405,461 1.583,462 27.233,463 0.462,464 2.289,465 0.039,466 48,467 0.814,468 10.5,469 0.178,470 37.5,471 0.636,472 105.661,473 1.791,474 72.367,475 0.565,476 53.591,477 0.908,478 7.634,479 0.129,480 19.835,481 0.336,482 0.29,483 0.037,484 0.388,490 0.852,491 1.544,492 0.946,493 1.384,494 0.659,495 0.915,496 0.546,497 1.334,498 0.834,499 1.22,500 0.436,501 0.981,502 0.959,503 1.189,504 1.065,505 1.202,506 0.871,507 1.068,508 1.21,509 1.139,510 0.989,511 1.064,512 1.024,513 0.956,514 1.17,515 1.062,516 1.057,517 0.995,518 1.097,519 0.959,520 1.017,521 1.129,522 1.025,523 1.123,524 0.975,525 0.92,526 1.038,527 1.23,528 1.029,529 1.201,530 0.945,531 1.017,532 1.079,533 0.899,534 1.043,535 0.886,536 1.025,537 0.966,538 17.5,539 0.977,540 9.333,541 6.222,542 4.704,543 2.709,544 2.281,545 1.774,546 1.565,547 1.053,548 69802,549 176567,550 1.892,551 53.9,552 32,553 8,554 1,556 8,557 4,558 14,559 2,560 1.892,561 1.686,562 4.134,563 4.146,569 201.289,570 1.573,571 3.076,572 4.738,573 5.765,574 6.056,575 6.134,576 3.595,577 5.645,578 5.855,579 4.398,580 7525.58,581 10.489,582 175950,587 896,588 1.74,589 5.746,590 0.282,591 0.01,592 0.104,593 0.065,594 0.047,595 0.026,596 0.021,597 0.015,598 0.013,599 0.009,600 0.592,601 0.17,602 0.5,603 2.428,604 373.123,605 -0.131,606 -0.092,607 0.014,608 -0.027,609 -0.057,610 0.03,611 0.195,612 -0.08,613 0.122,614 -0.021,615 0.148,616 -0.031,617 0.01,618 -0.015,619 -0.071,620 -0.079,621 -0.046,622 -0.109,623 -0.107,624 -0.024,625 0.026,626 0.006,627 -0.055,628 0.007,629 0.085,630 0.043,631 -0.008,632 0.049,633 0.119,634 -0.019,635 0.028,636 0.055,637 -0.021,638 0.012,639 -0.003,640 0.036,641 -0.062,642 -0.099,643 -0.036,644 -0.114,645 -0.017,646 -0.047,647 0.025,648 0.039,649 -0.023,650 0.04,651 0.07,652 0.015,653 3.007,654 7.312,655 0.254,656 96.178,657 1.003,658 1.141,659 -2.158,660 4.655,661 0.607,662 4.143,663 4.533,664 4.779,665 5.017,666 5.215,667 5.357,668 5.481,669 5.609,670 5.666,671 5.737,672 11.316,673 0.651,674 832.97,675 4.143,676 5.733,677 6.592,678 7.504,679 8.395,680 9.317,681 10.227,682 11.157,683 12.079,684 13.018,685 4.7,686 1,692 5,720 128,721 1,723 7,725 62,727 131,728 41,735 4,736 7,741 9,742 1,744 1,745 6,746 3,748 16,749 7,750 34,751 6,754 7,759 7,763 7,768 69,769 17,770 8,771 18,775 6,780 0.5,781 11,786 1,787 1,788 2,789 2,792 2,800 4,801 1,802 2,807 1,811 2,813 2,817 9,821 59,822 1,827 2,828 11,829 4,830 2,832 1,833 12,834 1,835 2,840 8.6,842 2,843 7,844 2,847 35,848 24.517,849 12.736,850 8.344,851 0.165,852 1.018,853 0.959,854 17.059,855 9.119,856 4.248,857 4.673,858 4.92,859 5.176,860 5.412,861 5.481,862 5.613,863 5.778,864 5.787,865 5.878,866 1,867 96,868 22.617,870 10.253,871 8.042,872 42.083,874 36.106,877 2.542,878 150,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.6,928 0.337,929 0.168,930 0.09,931 39,932 25,933 0.16,934 21,935 3,936 1.333,937 5.828,938 672.333,939 0.4,940 14,941 339.076,945 49.062,946 20.515,947 11.864,949 150.083,957 60.694,958 547.756,959 69,964 90.859,968 -5.88,969 128.374,970 146.109,971 0.225,972 0.439,973 0.677,974 0.824,975 0.865,976 0.876,977 5.591,978 2.561,979 6.658,980 8.591,981 5.22,982 5.361,983 3.946,984 7.572,985 5.172,986 6.78,987 2.217,988 8.302,989 7.733,990 5.165,991 5.38,992 3.633,993 8.899,994 5.097,995 8.104,996 2.179,997 10.06,998 6.574,999 6.967,1000 7.213,1001 5.157,1002 12.03,1003 6.863,1004 9.455,1005 2.068,1006 11.891,1007 6.094,1008 7.692,1009 7.98,1010 5.443,1011 14.235,1012 7.569,1013 10.842,1014 2.056,1015 13.772,1016 5.186,1017 9.088,1018 9.392,1019 6.551,1020 17.031,1021 8.934,1022 12.253,1023 1.957,1024 15.691,1025 5.159,1026 10.139,1027 10.456,1028 7.097,1029 19.572,1030 9.966,1031 13.684,1032 1.8,1033 17.64,1034 5.09,1035 11.43,1036 11.75,1037 8.039,1038 22.306,1039 11.233,1040 3.847,1041 1.581,1042 19.613,1043 4.604,1044 12.623,1045 12.937,1046 8.718,1047 24.972,1048 12.409,1049 3.203,1050 15.757,1051 21.607,1052 4.405,1053 13.902,1054 14.209,1055 9.589,1056 27.704,1057 13.668,1058 3.173,1059 12.336,1060 23.617,1061 3.847,1062 15.16,1063 15.452,1064 10.339,1065 30.421,1066 14.91,1067 2.989,1068 11.03,1069 25.641,1070 3.454,1071 16.452,1072 16.729,1073 11.182,1074 33.16,1075 16.185,1076 2.841,1077 9.697,1078 27.677,1079 3.282,1080 17.745,1081 18.003,1082 11.971,1083 35.897,1084 17.461,1085 2.758,1086 9.149,1087 29.722,1088 3.196,1089 19.052,1090 19.292,1091 12.805,1092 38.644,1093 18.752,1094 2.623,1095 8.792,1096 31.775,1097 3.146,1098 20.364,1099 20.585,1100 13.616,1101 41.39,1102 20.048,1103 68932,1104 110248,1105 37.627,1106 77.739,1107 96.527,1108 101.358,1109 101.24,1110 95.246,1111 95.129,1112 102.502,1113 32.089,1114 291.122,1115 93.012,1116 5.847,1117 5.976,1118 7.698,1119 5.959,1120 5.847,1121 5.847,1122 3.925,1123 24.986,1124 5.774,1125 49.346,1126 1.557,1127 1.635,1128 1.633,1129 1.536,1130 1.534,1131 1.653,1132 0.518,1133 4.696,1134 1.5,1135 4.099,1136 4.132,1137 4.016,1138 4.015,1139 7.478,1140 3.921,1141 3.96,1142 4.007,1143 3.879,1144 3.796,1145 7.472,1146 3.837,1147 3.861,1148 3.909,1149 3.782,1150 3.69,1151 7.439,1152 3.649,1153 3.792,1154 3.849,1155 3.69,1156 3.676,1157 7.429,1158 3.473,1159 3.762,1160 3.814,1161 3.634,1162 3.598,1163 7.426,1164 3.293,1165 3.691,1166 3.745,1167 3.582,1168 3.545,1169 7.423,1170 3.068,1171 3.655,1172 3.699,1173 3.529,1174 3.507,1175 7.421,1176 2.932,1177 3.594,1178 3.644,1179 3.471,1180 3.484,1181 6.352,1182 2.771,1183 0.078,1184 0.064,1185 0.132,1186 0.078,1187 0.062,1188 4.847,1189 0.062,1190 3.976,1191 0.038,1192 8.155,1193 0.254,1194 4.827,1195 0.061,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.818,1208 1.77,1209 2.044,1210 2.019,1211 1.383,1212 2.005,1213 1.805,1214 1.751,1215 2.003,1216 1.968,1217 1.277,1218 1.892,1219 1.754,1220 1.707,1221 1.959,1222 1.951,1223 1.24,1224 1.772,1225 1.698,1226 1.646,1227 1.913,1228 1.891,1229 1.219,1230 1.588,1231 1.646,1232 1.595,1233 1.869,1234 1.835,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.825,1241 1.103,1242 1.389,1243 1.548,1244 1.487,1245 1.813,1246 1.732,1247 1.05,1248 1.224,1249 4.828,1251 6.217,1252 3.045,1253 7.785,1254 5.416,1255 9.454,1256 7.564,1257 11.191,1259 17.933,1263 5.657,1264 18.265,1265 4.234,1266 10.922,1267 13.407,1269 -0.619,1270 -6.009,1271 1.515,1272 -0.285,1273 33.733,1274 201.289,1275 393.706,1276 606.524,1277 737.922,1278 775.206,1279 785.206,1280 350.794,1281 8.954,1282 255.79,1283 255.79,1284 20,1285 13.518,1286 3,1287 3,1288 136.713,1289 403,1290 405,1291 0.16,1292 448.179,1293 848.51,1294 1085.32,1295 120599,1297 44.145,1298 0.748,1299 0.617,1300 44.145,1301 36.377,1302 27.469,1303 0.443,1304 0.347,1305 21.257,1306 26.309,1307 20.462,1308 17.023,1309 27.469,1310 21.517,1311 27.153,1312 0.295,1313 0.208,1314 27.153,1315 19.125,1316 20.602,1317 0.175,1318 0.112,1319 20.602,1320 13.249,1321 16.392,1322 0.109,1323 0.063,1324 16.392,1325 9.378,1326 12.397,1327 0.068,1328 0.034,1329 12.397,1330 6.295,1331 0.256,1332 173.472,1333 0.163,1334 48.79,1335 0.426,1336 308,1337 920.575,1338 347.816,1339 854.557,1340 1105.02,1341 786,1342 364,1343 757.218,1344 401.608,1345 754.06,1346 1110.26,1347 707,1348 6.553}
{0 CHEMBL323543,1 1.463,2 7.438,3 1.531,4 2.342,5 60.565,6 6.232,8 3.653,9 3.794,10 3.047,11 3.127,12 4.622,13 3.079,14 4.274,15 4.463,16 3.409,17 3.579,18 5.216,19 3.481,20 4.629,21 4.898,22 3.313,23 3.672,24 5.435,25 3.517,26 4.581,27 4.87,28 3.104,29 3.519,30 5.412,31 3.348,32 4.359,33 4.638,34 2.908,35 3.327,36 5.259,37 3.158,38 4.216,39 4.511,40 2.725,41 3.168,42 5.046,43 2.989,44 4.041,45 4.338,46 2.69,47 2.996,48 4.902,49 2.842,50 3.852,51 4.141,52 2.749,53 2.776,54 5.182,55 2.657,56 0.038,57 0.502,58 8.976,59 3.587,60 7.845,61 5.079,62 0.198,63 0.811,64 16.766,65 6.509,66 28.938,67 9.242,68 0.253,69 0.935,70 23.753,71 7.594,72 38.382,73 11.569,74 0.328,75 0.805,76 22.662,77 6.783,78 43.883,79 10.418,80 0.259,81 0.663,82 18.185,83 5.437,84 40.796,85 8.374,86 0.22,87 0.569,88 15.6,89 4.623,90 34.336,91 7.239,92 0.162,93 0.488,94 13.066,95 3.707,96 23.89,97 5.987,98 0.293,99 0.411,100 11.149,101 2.725,102 55.173,103 4.7,105 15,106 23,107 0.277,108 0.521,109 0.721,110 0.873,111 0.894,112 0.894,113 2.851,114 1.097,115 -3.15,116 -3.15,117 -3.02,120 33.3,122 7,123 2,128 1,153 2,158 1,159 1,160 1,165 8,167 1,168 4,172 1,173 2,175 1,176 8,179 1,182 5,187 2,190 6,192 1,195 4,200 2,203 5,205 1,207 3,212 2,215 4,217 1,220 2,225 2,227 3,229 1,236 2,239 2,242 1,247 2,248 4,250 2,256 1,263 4,268 2,270 284,271 10.621,272 10.621,273 10.621,274 10.621,275 10.621,276 10.284,277 11.371,278 6.418,279 10.77,280 8.399,281 8.399,282 8.399,283 8.399,284 8.399,285 7.819,286 12.655,287 3.048,288 8.631,289 3.707,290 2.417,291 1.362,292 0.556,293 0.444,294 0.444,295 3.499,301 1,302 1,303 248,304 3,306 70.149,309 57.755,313 1.133,314 19.828,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 35,326 119,327 4.249,328 3.889,329 6.721,330 4.161,331 3.182,332 3.35,333 2.443,334 10.917,335 3.108,336 3.55,337 2.836,338 5.476,339 3.22,340 2.247,341 2.71,342 1.276,343 6.717,344 2.195,345 3.344,346 2.825,347 4.747,348 3.158,349 2.176,350 2.392,351 0.286,352 5.184,353 2.113,354 2.849,355 2.165,356 4.657,357 2.676,358 1.718,359 1.839,361 4.916,362 1.628,363 2.429,364 1.539,365 3.71,366 2.353,367 1.379,368 1.414,370 3.035,371 1.337,372 2.115,373 1.331,374 3.434,375 2.044,376 1.047,377 1.081,379 2.341,380 1.038,381 1.759,382 0.843,383 3.207,384 1.674,385 0.68,386 0.707,388 1.631,389 0.674,390 1.177,391 0.56,392 2.646,393 1.076,394 0.102,395 0.104,397 0.238,398 0.098,399 0.871,400 0.339,401 2.308,402 0.541,403 -0.454,404 -0.518,406 -1.099,407 -0.445,408 0.51,409 -0.303,410 1.918,411 0.151,412 -0.868,413 -0.977,415 -2,416 -0.882,417 0.203,418 -0.469,419 1.666,420 -0.1,421 -1,422 -1.316,424 -2.018,425 -0.9,426 -0.294,427 -0.832,428 1.504,429 -0.365,430 -1.328,431 -1.414,433 -3.21,434 -1.246,435 -0.468,436 -1.161,437 1.109,438 -0.528,439 -1.532,440 -1.6,442 -4.052,443 -1.521,444 -0.586,445 -1.389,446 1.065,447 -0.612,448 -1.602,449 -1.772,450 -0.486,451 -4.496,452 -1.594,453 -0.746,454 -1.654,455 1,456 -0.798,457 -1.778,458 -2,459 -0.79,460 -5.031,461 -1.718,462 7.467,463 0.467,464 0.404,465 0.025,466 12.75,467 0.797,468 3,469 0.188,470 9.75,471 0.609,472 15.819,473 0.989,474 19.533,475 0.543,476 6.587,477 0.412,478 1.849,479 0.116,480 5.833,481 0.365,482 0.152,484 0.335,490 0.816,491 1.307,492 0.985,493 1.273,494 0.748,495 1.16,496 0.564,497 1.309,498 0.983,499 1.385,500 0.4,501 1.277,502 0.982,503 1.059,504 1.045,505 1.126,506 0.847,507 1.098,508 1.221,509 0.86,510 1.009,511 0.904,512 1.097,513 0.929,514 1.252,515 0.954,516 1.099,517 0.994,518 1.44,519 1.026,520 1.107,521 0.89,522 1.016,523 0.911,524 1.195,525 0.948,526 0.99,527 1.013,528 0.875,529 0.901,530 0.975,531 0.876,532 0.42,533 1.108,534 0.734,535 0.952,536 0.559,537 0.9,538 3,540 1.778,541 1.292,542 0.53,543 0.278,544 0.152,545 0.197,546 0.13,547 0.049,548 1983,549 4823,550 1.993,551 55.6,552 10,553 1,556 3,557 3,558 3,560 1.546,561 1.846,562 2.88,563 1.25,565 1,566 1,567 1,569 52.659,570 1.463,571 2.753,572 3.808,573 4.614,574 4.725,575 4.725,576 2.227,577 3.75,578 3.968,579 3.044,580 365.307,581 6.659,582 3236.07,584 1,586 1,587 186.117,588 1.477,589 3.918,590 0.176,592 0.077,593 0.068,594 0.035,595 0.023,596 0.015,597 0.02,598 0.013,599 0.012,600 0.44,601 0.5,602 1,603 1.953,604 65.362,605 -0.069,606 0.119,607 0.019,608 0.064,609 -0.05,610 0.066,611 0.215,612 -0.092,613 -0.015,614 -0.152,615 0.175,616 -0.126,617 -0.074,618 -0.069,619 -0.085,620 -0.117,621 -0.067,622 -0.101,623 -0.125,624 0.016,625 -0.037,626 0.031,627 -0.091,628 0.013,629 -0.152,630 -0.039,631 -0.12,632 -0.042,633 -0.16,634 -0.073,635 -0.119,636 0.005,637 -0.057,638 0.018,639 -0.131,640 -0.007,641 -0.047,642 -0.115,643 0.084,644 0.019,645 -0.038,646 0.063,647 0.586,648 -0.147,649 0.261,650 -0.088,651 0.593,652 0.004,653 1.655,654 4.627,655 0.5,656 10.594,657 0.995,658 1.143,659 1.922,660 3.694,661 0.605,662 2.89,663 3.178,664 3.401,665 3.664,666 3.664,667 3.664,668 3.689,669 3.434,670 3.258,671 3.135,672 4.685,673 0.561,674 224.34,675 2.89,676 4.394,677 5.22,678 6.089,679 6.946,680 7.826,681 8.699,682 9.585,683 10.467,684 11.358,685 5.6,686 1,694 1,720 36,723 2,725 17,727 37,728 12,735 2,736 3,745 4,746 2,748 8,749 2,750 10,751 2,754 2,758 1,759 1,763 2,765 1,768 20,769 4,770 3,771 4,775 2,776 1,780 0.5,781 2,788 2,791 1,803 1,807 1,813 1,821 16,822 1,828 7,830 1,833 3,840 5.6,843 1,845 1,847 8.667,848 5.917,849 3.583,850 2.465,851 0.212,852 1.036,853 0.918,854 3.722,855 6.075,856 2.996,857 3.332,858 3.526,859 3.807,860 3.85,861 3.829,862 3.871,863 3.714,864 3.466,865 3.401,866 0.8,867 19,868 5.974,870 2.554,871 7.833,872 11.722,874 10.161,877 2.333,878 37.333,879 0.004,882 200.109,883 27.261,884 64.569,886 36.145,889 27.261,890 236.254,891 64.569,893 50.639,895 34.664,896 42.672,898 200.109,900 200.109,901 91.83,902 36.145,905 164.795,906 71.458,909 82.311,910 9.519,913 200.109,914 100.714,915 27.261,918 200.109,919 27.261,922 100.714,923 200.109,924 100.714,925 27.261,927 0.571,928 0.315,929 0.171,930 0.08,931 11,932 5,933 0.135,934 5,935 1,936 1.25,937 2.894,938 101.472,939 0.25,940 8,941 64,945 11.749,946 5.069,947 2.705,949 100.714,957 64.569,958 328.084,959 19,963 7.126,964 11.627,968 0.255,969 35.811,970 41.152,971 0.283,972 0.533,973 0.737,974 0.893,975 0.914,976 0.914,977 4.248,978 0.102,979 5.198,980 1.631,981 3.85,982 4.007,983 2.605,984 5.994,985 3.798,986 5.357,987 -0.454,988 6.746,989 0.238,990 3.434,991 3.761,992 2.388,993 6.917,994 3.347,995 6.615,996 -0.868,997 8.403,998 -1.099,999 5.407,1000 5.714,1001 3.906,1002 10.037,1003 5.308,1004 7.901,1005 -1,1006 10.127,1007 -2,1008 5.861,1009 6.293,1010 4.311,1011 11.881,1012 5.731,1013 9.225,1014 -1.328,1015 11.896,1016 -2.018,1017 7.313,1018 7.74,1019 5.505,1020 14.515,1021 7.168,1022 10.573,1023 -1.532,1024 13.698,1025 -3.21,1026 8.169,1027 8.675,1028 6.169,1029 16.708,1030 7.998,1031 11.939,1032 -1.602,1033 15.524,1034 -4.052,1035 9.428,1036 9.948,1037 7.213,1038 19.185,1039 9.238,1040 3.182,1041 -1.778,1042 17.368,1043 -4.496,1044 10.461,1045 11.035,1046 7.995,1047 21.504,1048 10.246,1049 2.247,1050 10.917,1051 19.226,1052 -5.031,1053 11.652,1054 12.252,1055 8.965,1056 23.926,1057 11.416,1058 2.176,1059 6.717,1060 21.095,1061 3.35,1062 12.759,1063 13.403,1064 9.803,1065 26.29,1066 12.498,1067 1.718,1068 5.184,1069 22.971,1070 2.71,1071 13.926,1072 14.605,1073 10.734,1074 28.692,1075 13.643,1076 1.379,1077 4.916,1078 24.854,1079 2.392,1080 15.063,1081 15.785,1082 11.6,1083 31.073,1084 14.756,1085 1.047,1086 3.035,1087 26.742,1088 1.839,1089 16.223,1090 16.985,1091 12.512,1092 33.467,1093 15.893,1094 0.68,1095 2.341,1096 28.633,1097 1.414,1098 17.372,1099 18.178,1100 13.391,1101 35.854,1102 17.019,1103 2067,1104 3257,1105 11.038,1106 21.773,1107 25.062,1108 25.595,1109 26.023,1110 25.099,1111 25.06,1112 27.194,1113 8.009,1114 69.958,1115 24.383,1116 5.249,1117 5.85,1118 6.401,1119 5.236,1120 5.182,1121 5.35,1122 4.174,1123 17.826,1124 5.085,1125 8.229,1126 1.474,1127 1.506,1128 1.531,1129 1.476,1130 1.474,1131 1.6,1132 0.471,1133 4.115,1134 1.434,1135 3.995,1136 4.027,1137 3.901,1138 3.872,1139 7.432,1140 3.871,1141 3.716,1142 3.786,1143 3.58,1144 3.574,1145 5.875,1146 3.563,1147 3.479,1148 3.549,1149 3.343,1150 3.301,1151 4.792,1152 3.302,1153 3.255,1154 3.312,1155 3.129,1156 2.998,1157 4.539,1158 3.02,1159 2.946,1160 3.024,1161 2.747,1162 2.698,1163 4.031,1164 2.696,1165 2.79,1166 2.906,1167 2.525,1168 2.531,1169 3.879,1170 2.515,1171 2.642,1172 2.694,1173 2.452,1174 2.385,1175 3.548,1176 2.4,1177 2.466,1178 2.637,1179 2.142,1180 2.066,1181 3.158,1182 2.05,1183 0.25,1184 0.229,1185 0.395,1186 0.245,1187 0.187,1188 4.249,1189 0.197,1190 3.889,1191 0.144,1192 6.721,1193 0.642,1194 4.161,1195 0.183,1196 3.182,1197 3.35,1198 2.443,1199 10.917,1200 3.108,1201 1.8,1202 1.751,1203 2.016,1204 1.95,1205 1.417,1206 1.974,1207 1.618,1208 1.558,1209 1.863,1210 1.802,1211 1.215,1212 1.82,1213 1.558,1214 1.501,1215 1.795,1216 1.739,1217 1.18,1218 1.761,1219 1.365,1220 1.311,1221 1.609,1222 1.61,1223 0.864,1224 1.613,1225 1.131,1226 1.083,1227 1.364,1228 1.446,1229 0.462,1230 1.419,1231 0.778,1232 0.683,1233 1.128,1234 1.133,1235 0.107,1236 1.144,1237 0.426,1238 0.29,1239 0.902,1240 0.876,1241 0.014,1242 0.891,1243 0.311,1244 0.146,1245 0.815,1246 0.74,1248 0.78,1249 3.555,1251 4.844,1252 3.045,1253 6.301,1254 5.416,1255 7.854,1256 7.506,1257 9.472,1263 5.291,1265 6.85,1267 5.37,1270 0.814,1273 20.214,1274 52.659,1275 99.121,1276 137.098,1277 166.117,1278 170.117,1279 170.117,1280 32.561,1281 5.864,1282 76.17,1283 76.17,1284 10,1285 11.889,1286 1.585,1287 1.585,1288 26.182,1289 43,1290 44,1291 0.3,1292 126.818,1293 225.74,1294 301.196,1295 2104,1297 11.544,1298 0.721,1299 0.598,1300 11.544,1301 9.576,1302 7.682,1303 0.452,1304 0.366,1305 6.154,1306 7.417,1307 6.066,1308 4.992,1309 7.682,1310 6.216,1311 6.91,1312 0.3,1313 0.215,1314 6.91,1315 4.948,1316 5.242,1317 0.181,1318 0.131,1319 5.242,1320 3.802,1321 4.427,1322 0.117,1323 0.079,1324 4.427,1325 2.984,1326 2.991,1327 0.079,1328 0.047,1329 2.991,1330 1.794,1331 0.466,1332 48.06,1333 0.301,1334 16.402,1335 0.826,1336 80,1337 211.116,1338 88.641,1339 199.415,1340 260.28,1341 184,1342 92,1343 181.972,1344 99.644,1345 180.194,1346 261.83,1347 170,1348 4}
{0 CHEMBL323544,1 1.489,2 8.053,3 2.102,4 4.417,5 71.95,6 6.982,7 0.286,8 3.706,9 3.829,10 3.214,11 3.26,12 4.771,13 3.227,14 4.282,15 4.438,16 3.608,17 3.711,18 5.331,19 3.643,20 4.618,21 4.841,22 3.575,23 3.822,24 5.553,25 3.708,26 4.612,27 4.864,28 3.369,29 3.685,30 5.597,31 3.551,32 4.404,33 4.665,34 3.243,35 3.51,36 5.411,37 3.383,38 4.213,39 4.452,40 3.12,41 3.354,42 5.217,43 3.243,44 4.023,45 4.253,46 2.843,47 3.188,48 4.989,49 3.052,50 3.914,51 4.217,52 2.658,53 2.945,54 4.761,55 2.788,56 0.032,57 0.527,58 8.232,59 3.625,60 9.498,61 4.806,62 0.176,63 0.872,64 15.404,65 6.747,66 30.005,67 8.976,68 0.187,69 1.099,70 23.028,71 8.634,72 39.654,73 12.03,74 0.309,75 1.02,76 23.922,77 8.022,78 53.824,79 11.355,80 0.194,81 0.836,82 19.21,83 6.718,84 43.612,85 9.58,86 0.174,87 0.681,88 15.779,89 5.702,90 34.476,91 7.849,92 0.141,93 0.597,94 12.777,95 4.492,96 28.019,97 6.364,98 0.086,99 0.516,100 11.792,101 3.904,102 18.204,103 6.02,105 11,106 30,107 0.273,108 0.653,109 0.798,110 0.865,111 0.865,112 0.865,113 3.01,114 0.97,115 -3.94,116 -3.89,117 -3.69,120 40.5,122 4,123 2,128 1,140 4,141 2,153 2,158 1,159 1,160 1,165 12,167 1,168 4,172 1,173 2,175 1,176 14,179 1,182 5,187 4,190 11,192 2,195 4,200 4,203 8,205 2,207 5,212 2,215 7,217 1,220 4,225 2,227 7,229 1,231 2,236 2,239 5,242 1,250 2,253 2,256 1,260 2,261 4,263 2,268 1,270 391,271 12.723,272 12.723,273 12.723,274 12.723,275 12.723,276 11.725,277 13.106,278 7.363,279 12.865,280 10.35,281 10.35,282 10.35,283 10.35,284 10.35,285 8.791,286 14.106,287 3.473,288 10.569,289 3.721,290 1.643,291 0.852,292 0.486,293 0.486,294 0.486,295 3.685,300 1,301 1,302 1,303 331,304 2.646,306 83.031,307 57.12,309 68.141,313 1.319,314 21.242,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 41,326 153,327 4.277,328 3.894,329 6.73,330 4.173,331 3.194,332 3.762,333 2.443,334 10.962,335 3.124,336 4.145,337 2.96,338 5.93,339 3.762,340 2.778,341 3.363,342 0.6,343 8.233,344 2.735,345 3.679,346 2.838,347 5.546,348 3.369,349 2.383,350 3.002,351 0.286,352 7.206,353 2.346,354 3.33,355 2.653,356 5.21,357 3.095,358 2.092,359 2.385,361 6.222,362 2.083,363 2.828,364 2.017,365 4.726,366 2.573,367 1.629,368 1.837,370 4.846,371 1.52,372 2.652,373 1.589,374 3.803,375 2.207,376 1.252,377 1.635,379 2.971,380 1.192,381 2.5,382 1.365,383 3.465,384 2.044,385 1.047,386 1.5,388 2.348,389 1.038,390 2.119,391 1,392 3.414,393 2,394 1,395 1.083,397 2.275,398 1,399 1.715,400 0.81,401 3.396,402 1.593,403 0.594,404 0.64,406 1.611,407 0.591,408 1.082,409 0.514,410 2.755,411 0.832,412 -0.138,413 -0.154,415 -0.355,416 -0.133,417 0.872,418 0.144,419 2.322,420 0.5,421 -0.512,422 -0.646,424 -1.227,425 -0.51,426 0.5,427 -0.362,428 2,429 0.05,430 -0.972,431 -1.169,433 -2,434 -0.9,435 0.469,436 -0.647,437 1.928,439 -1,440 -1.356,442 -2.529,443 -0.99,444 0.3,445 -0.919,446 1.745,447 -0.1,448 -1,449 -1.485,451 -3,452 -1,453 -0.35,454 -1,455 1.518,456 -0.424,457 -1.385,458 -1.5,460 -3.596,461 -1.289,462 8.967,463 0.472,464 0.524,465 0.028,466 20.75,467 1.092,468 9,469 0.474,470 11.75,471 0.618,472 15.838,473 0.834,474 21.033,475 0.568,476 13.09,477 0.689,478 3.722,479 0.196,480 5.426,481 0.286,482 0.126,484 0.39,490 0.801,491 1.048,492 0.856,493 1.018,494 0.758,495 0.945,496 0.58,497 1.103,498 0.896,499 1.173,500 0.423,501 1.104,502 0.98,503 1.126,504 1.049,505 1.16,506 0.794,507 1.127,508 1.293,509 0.957,510 1.101,511 0.972,512 1.177,513 1.009,514 0.994,515 0.903,516 0.926,517 0.949,518 1.206,519 0.932,520 1.202,521 0.924,522 0.956,523 0.957,524 1.156,525 0.94,526 1.145,527 1.112,528 1.246,529 1.168,530 1.175,531 1.214,532 0.515,533 1.043,534 0.739,535 0.939,536 0.649,537 0.876,538 4,539 0.04,540 2.444,541 1.417,542 0.907,543 0.608,544 0.221,545 0.183,546 0.182,547 0.105,548 3329,549 8416,550 2.081,551 48.6,552 6,553 5,556 3,557 1,558 3,560 1.6,561 1.932,562 3.001,563 1.096,565 1,566 1,567 1,569 55.088,570 1.489,571 3.566,572 4.358,573 4.723,574 4.723,575 4.723,576 2.465,577 3.827,578 4.221,579 3.162,580 540.731,581 7.172,582 5285.69,583 1,584 1,586 1,587 192.75,588 1.462,589 4.171,590 0.19,591 0.01,592 0.081,593 0.052,594 0.043,595 0.032,596 0.013,597 0.015,598 0.018,599 0.01,600 0.467,601 0.67,602 1,603 0.868,604 82.32,605 -0.077,606 0.168,607 0.026,608 0.105,609 -0.078,610 0.093,611 0.21,612 -0.01,613 0.005,614 -0.069,615 0.168,616 -0.065,617 -0.071,618 -0.147,619 -0.1,620 -0.147,621 -0.033,622 -0.131,623 -0.162,624 -0.039,625 -0.105,626 -0.014,627 -0.111,628 -0.048,629 -0.047,630 0.018,631 0.05,632 0.023,633 -0.065,634 0.05,635 -0.091,636 -0.02,637 0.029,638 0.039,639 -0.059,640 0.047,641 -0.178,642 -0.123,643 -0.286,644 -0.188,645 -0.205,646 -0.243,647 0.101,648 -0.136,649 0.222,650 -0.003,651 0.035,652 0.109,653 1.703,654 4.891,655 0.737,656 12.399,657 0.998,658 1.128,659 2.709,660 7.337,661 0.649,662 3.091,663 3.434,664 3.714,665 3.97,666 4.094,667 4.143,668 4.205,669 4.174,670 4.263,671 4.22,672 4.982,673 0.613,674 258.35,675 3.091,676 4.635,677 5.493,678 6.378,679 7.256,680 8.145,681 9.03,682 9.921,683 10.81,684 11.703,685 5.4,686 1,694 1,699 4,704 2,706 6,720 37,723 8,724 1,725 21,727 39,728 15,729 6,730 2,731 4,732 1,735 3,736 4,745 4,746 2,748 5,749 8,750 7,751 2,754 2,758 1,759 1,763 2,764 1,765 1,768 18,769 4,770 3,771 4,775 2,776 1,780 0.667,781 2,788 2,789 1,791 1,803 1,807 1,813 2,821 19,822 1,828 4,830 1,833 3,840 5.4,843 1,845 1,847 9.833,848 6.25,849 4.111,850 2.333,851 1.293,852 1.196,853 0.973,854 3.214,855 7.879,856 3.296,857 3.795,858 4.238,859 4.662,860 5.072,861 5.181,862 5.345,863 5.454,864 5.77,865 5.677,866 1,867 27,868 7.062,870 3.111,871 7.825,872 13.651,874 11.952,877 2.325,878 44.167,879 0.001,882 176.567,883 63.934,884 64.569,886 36.145,889 63.934,890 212.711,891 64.569,893 43.035,894 37.905,895 34.664,896 49.043,898 176.567,900 176.567,901 128.503,902 36.145,905 141.253,906 71.458,909 74.707,910 53.795,913 176.567,914 100.714,915 63.934,918 176.567,919 26.029,920 37.905,922 100.714,923 176.567,924 100.714,925 63.934,927 0.591,928 0.347,929 0.182,930 0.091,931 16,932 7,933 0.077,934 3,935 1,936 1.143,937 3.172,938 140.544,939 0.143,940 14,941 76.711,945 12.523,946 4.877,947 2.338,949 100.714,950 7.576,955 1.83,957 64.569,958 341.214,959 26,963 7.362,964 11.891,968 0.035,969 36.927,970 41.737,971 0.286,972 0.685,973 0.837,974 0.907,975 0.907,976 0.907,977 4.559,978 1,979 5.493,980 2.348,981 4.111,982 4.477,983 2.465,984 6.319,985 4.071,986 5.731,987 0.594,988 7.066,989 2.275,990 3.761,991 4.248,992 2.243,993 7.252,994 3.699,995 7.023,996 -0.138,997 8.737,998 1.611,999 5.72,1000 6.473,1001 3.847,1002 10.345,1003 5.646,1004 8.344,1005 -0.512,1006 10.466,1007 -0.355,1008 6.196,1009 7.012,1010 4.269,1011 12.129,1012 6.097,1013 9.696,1014 -0.972,1015 12.232,1016 -1.227,1017 7.639,1018 8.763,1019 5.487,1020 14.74,1021 7.526,1022 11.068,1023 -1,1024 14.024,1025 -2,1026 8.48,1027 9.634,1028 6.158,1029 16.879,1030 8.34,1031 12.454,1032 -1,1033 15.834,1034 -2.529,1035 9.728,1036 11.193,1037 7.208,1038 19.336,1039 9.572,1040 3.194,1041 -1.385,1042 17.66,1043 -3,1044 10.735,1045 12.232,1046 7.992,1047 21.624,1048 10.552,1049 2.778,1050 10.962,1051 19.498,1052 -3.596,1053 11.911,1054 13.694,1055 8.963,1056 24.034,1057 11.709,1058 2.383,1059 8.233,1060 21.345,1061 3.762,1062 12.993,1063 14.829,1064 9.802,1065 26.383,1066 12.766,1067 2.092,1068 7.206,1069 23.201,1070 3.363,1071 14.146,1072 16.237,1073 10.734,1074 28.779,1075 13.898,1076 1.629,1077 6.222,1078 25.064,1079 3.002,1080 15.263,1081 17.433,1082 11.599,1083 31.153,1084 14.99,1085 1.252,1086 4.846,1087 26.933,1088 2.385,1089 16.41,1090 18.808,1091 12.512,1092 33.546,1093 16.115,1094 1.047,1095 2.971,1096 28.807,1097 1.837,1098 17.544,1099 20.044,1100 13.391,1101 35.931,1102 17.226,1103 3263,1104 5241,1105 13.929,1106 24.012,1107 32.202,1108 32.825,1109 33.011,1110 31.974,1111 31.936,1112 38.414,1113 6.658,1114 93.348,1115 31.258,1116 5.277,1117 5.894,1118 6.22,1119 5.25,1120 5.194,1121 6.762,1122 4.174,1123 17.89,1124 5.124,1125 9.175,1126 1.533,1127 1.563,1128 1.572,1129 1.523,1130 1.521,1131 1.829,1132 0.317,1133 4.445,1134 1.488,1135 4.025,1136 4.054,1137 3.948,1138 3.936,1139 7.432,1140 3.933,1141 3.884,1142 3.917,1143 3.809,1144 3.791,1145 5.88,1146 3.789,1147 3.477,1148 3.539,1149 3.363,1150 3.323,1151 4.805,1152 3.323,1153 3.313,1154 3.375,1155 3.219,1156 3.073,1157 4.671,1158 3.101,1159 2.989,1160 3.045,1161 2.835,1162 2.735,1163 4.521,1164 2.739,1165 2.854,1166 2.925,1167 2.687,1168 2.724,1169 3.879,1170 2.715,1171 2.807,1172 2.904,1173 2.581,1174 2.601,1175 3.736,1176 2.585,1177 2.642,1178 2.693,1179 2.463,1180 2.387,1181 3.674,1182 2.4,1183 0.204,1184 0.185,1185 0.32,1186 0.199,1187 0.152,1188 4.277,1189 0.179,1190 3.894,1191 0.116,1192 6.73,1193 0.522,1194 4.173,1195 0.149,1196 3.194,1197 3.762,1198 2.443,1199 10.962,1200 3.124,1201 1.945,1202 1.919,1203 2.06,1204 2.028,1205 1.376,1206 2.04,1207 1.673,1208 1.631,1209 1.877,1210 1.816,1211 1.196,1212 1.835,1213 1.561,1214 1.504,1215 1.802,1216 1.738,1217 1.117,1218 1.761,1219 1.359,1220 1.313,1221 1.564,1222 1.602,1223 0.797,1224 1.592,1225 1.186,1226 1.136,1227 1.388,1228 1.493,1229 0.28,1230 1.462,1231 0.886,1232 0.821,1233 1.181,1234 1.107,1235 0.218,1236 1.107,1237 0.8,1238 0.74,1239 1.054,1240 1.062,1241 0.024,1242 1.098,1243 0.417,1244 0.312,1245 0.852,1246 0.873,1247 0.013,1248 0.879,1249 3.761,1251 5.094,1252 3.045,1253 6.605,1254 5.416,1255 8.201,1256 7.506,1257 9.844,1263 5.429,1265 4.031,1267 5.439,1270 0.574,1273 22.687,1274 55.088,1275 131.941,1276 161.24,1277 174.75,1278 174.75,1279 174.75,1280 33.854,1281 6.586,1282 76.17,1283 76.17,1284 16,1285 12.231,1286 3.17,1287 2.585,1288 27.941,1289 57,1290 52,1291 0.249,1292 139.419,1293 246.46,1294 331.944,1295 5468,1297 13.405,1298 0.706,1299 0.567,1300 13.405,1301 10.764,1302 9.148,1303 0.436,1304 0.323,1305 6.726,1306 8.887,1307 6.609,1308 5.422,1309 9.148,1310 6.788,1311 8.492,1312 0.283,1313 0.183,1314 8.492,1315 5.491,1316 7.113,1317 0.178,1318 0.108,1319 7.113,1320 4.311,1321 5.879,1322 0.113,1323 0.063,1324 5.879,1325 3.282,1326 4.355,1327 0.074,1328 0.035,1329 4.355,1330 2.049,1331 0.384,1332 56.858,1333 0.268,1334 18.949,1335 0.695,1336 102,1337 267.116,1338 110.641,1339 258.581,1340 347.84,1341 240,1342 121,1343 251.972,1344 128.978,1345 254.167,1346 371.79,1347 240,1348 4.153}
{0 CHEMBL324207,1 1.554,2 20.292,3 4.843,4 23.454,5 235.52,6 6.587,7 0.087,8 4.982,9 5.112,10 4.41,11 4.458,12 6.023,13 3.604,14 5.595,15 5.786,16 4.842,17 4.912,18 6.632,19 3.979,20 5.965,21 6.175,22 4.968,23 5.149,24 6.993,25 4.108,26 6.159,27 6.41,28 5.004,29 5.198,30 7.185,31 4.095,32 6.12,33 6.354,34 5.031,35 5.16,36 7.356,37 4.083,38 6.1,39 6.335,40 5.047,41 5.217,42 7.176,43 4.051,44 6.185,45 6.418,46 5.121,47 5.281,48 7.252,49 3.991,50 6.304,51 6.551,52 5.169,53 5.332,54 7.469,55 3.844,56 0.217,57 1.987,58 32.795,59 13.76,60 34.342,61 5.941,62 0.87,63 3.301,64 62.341,65 23.589,66 141.134,67 10.295,68 1.442,69 4.372,70 92.429,71 32.549,72 214.414,73 12.922,74 1.815,75 4.841,76 114.065,77 35.492,78 280.579,79 13.497,80 2.888,81 4.605,82 111.486,83 33.079,84 474.189,85 12.767,86 2.13,87 4.828,88 107.262,89 35.885,90 327.517,91 12.644,92 1.657,93 5.043,94 115.992,95 37.004,96 293.464,97 12.582,98 2.924,99 5.276,100 132.856,101 39.784,102 507.082,103 12.223,104 1,105 444,106 104,107 0.214,108 0.465,109 0.676,110 0.813,111 0.838,112 0.848,113 4.191,114 1.016,115 0.17,116 0.01,117 -0.2,120 34.1,121 10,122 9,123 4,124 2,126 1,128 6,129 1,130 1,140 4,141 2,153 7,158 1,159 1,160 1,162 2,164 2,165 25,166 2,167 2,168 7,171 6,173 7,176 29,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 23,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 13,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 14,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 24,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 19,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 9,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 19,259 2,260 1,261 8,262 3,263 12,264 2,265 1,266 36,267 1,268 2,270 12935,271 40.931,272 40.931,273 40.931,274 40.931,275 40.931,276 39.205,277 48.152,278 23.049,279 41.39,280 33.895,281 33.895,282 33.895,283 33.895,284 33.895,285 30.933,286 52.268,287 10.836,288 34.636,289 5.554,290 3.737,291 2.206,292 1.212,293 1.033,294 0.961,295 4.869,303 2761,304 8.185,305 160.128,306 419.574,307 723.888,310 676.296,313 3.11,314 120.422,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 143.5,326 1319,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.848,333 2.341,334 15.757,335 3.774,336 4.439,337 3.96,338 7.324,339 4.313,340 3.313,341 3.834,342 2.341,343 12.336,344 3.313,345 4.302,346 3.844,347 7.111,348 4.165,349 3.203,350 3.454,351 2.022,352 11.657,353 3.085,354 4.191,355 3.757,356 6.781,357 4.139,358 3.173,359 3.282,360 1.993,361 11.03,362 3.042,363 4.122,364 3.668,365 6.399,366 3.973,367 2.989,368 3.201,369 1.956,370 9.697,371 2.931,372 3.994,373 3.612,374 6.223,375 3.827,376 2.842,377 3.159,378 1.928,379 9.153,380 2.796,381 3.889,382 3.585,383 6.099,384 3.734,385 2.762,386 3.146,387 1.905,388 8.795,389 2.699,390 3.823,391 3.538,392 6.063,393 3.593,394 2.636,395 3.015,396 0.632,397 8.593,398 2.568,399 3.761,400 3.527,401 5.799,402 3.56,403 2.563,404 2.908,405 0.382,406 7.733,407 2.521,408 3.601,409 3.315,410 5.64,411 3.432,412 2.456,413 2.69,414 0.265,415 7.001,416 2.324,417 3.527,418 2.804,419 5.352,420 3.186,421 2.179,422 2.618,423 0.159,424 6.569,425 2.166,426 3.452,427 2.667,428 5.301,429 3.072,430 2.068,431 2.603,432 0.107,433 6.093,434 2.055,435 3.246,436 2.588,437 4.69,438 3.05,439 2.056,440 2.274,441 0.014,442 5.159,443 2.019,444 3.004,445 2.441,446 4.66,447 2.925,448 1.957,449 2.06,451 5.09,452 1.886,453 2.978,454 2.316,455 4.652,456 2.812,457 1.8,458 2.005,460 4.737,461 1.812,462 30.233,463 0.465,464 2.608,465 0.04,466 57.5,467 0.885,468 16.5,469 0.254,470 41,471 0.631,472 115.191,473 1.772,474 77.767,475 0.564,476 65.968,477 1.015,478 9.557,479 0.147,480 20.679,481 0.318,482 0.278,483 0.05,484 0.366,490 0.844,491 1.459,492 0.931,493 1.314,494 0.664,495 0.915,496 0.546,497 1.256,498 0.813,499 1.149,500 0.439,501 0.981,502 0.969,503 1.207,504 1.107,505 1.228,506 0.887,507 1.068,508 1.186,509 1.13,510 1.008,511 1.073,512 1.013,513 0.956,514 1.141,515 1.027,516 1.05,517 0.968,518 1.081,519 0.959,520 1.002,521 1.121,522 0.996,523 1.114,524 0.978,525 0.92,526 1.079,527 1.17,528 1.032,529 1.133,530 0.967,531 1.017,532 1.038,533 0.908,534 0.993,535 0.883,536 1.049,537 0.966,538 20,539 1.088,540 10.667,541 6.597,542 5.086,543 3.098,544 2.28,545 1.917,546 1.681,547 1.262,548 92507,549 230291,550 1.914,551 52.9,552 32,553 12,554 1,556 8,557 4,558 14,559 2,560 1.914,561 1.707,562 4.223,563 4.007,569 214.49,570 1.554,571 3.372,572 4.902,573 5.896,574 6.075,575 6.148,576 3.672,577 5.568,578 5.993,579 4.491,580 9341.25,581 10.774,582 234596,587 980.976,588 1.78,589 5.887,590 0.29,591 0.009,592 0.105,593 0.061,594 0.046,595 0.028,596 0.019,597 0.015,598 0.013,599 0.01,600 0.596,601 0.17,602 0.38,603 2.136,604 421.662,605 -0.126,606 -0.065,607 0.018,608 -0.011,609 -0.064,610 0.03,611 0.197,612 -0.03,613 0.14,614 0.023,615 0.148,616 -0.031,617 0.005,618 -0.031,619 -0.116,620 -0.106,621 -0.057,622 -0.109,623 -0.098,624 -0.03,625 0.002,626 -0.013,627 -0.058,628 0.007,629 0.095,630 0.039,631 -0.011,632 0.046,633 0.119,634 -0.019,635 0.052,636 0.051,637 0.006,638 0.008,639 0.01,640 0.036,641 -0.065,642 -0.084,643 -0.032,644 -0.089,645 -0.01,646 -0.047,647 0.059,648 0.046,649 0.024,650 0.056,651 0.08,652 0.015,653 3.01,654 7.474,655 0.323,656 114.646,657 1.001,658 1.137,659 -1.399,660 1.956,661 0.618,662 4.248,663 4.654,664 4.898,665 5.124,666 5.328,667 5.468,668 5.583,669 5.71,670 5.817,671 5.932,672 12.054,673 0.651,674 909.07,675 4.248,676 5.849,677 6.711,678 7.625,679 8.515,680 9.435,681 10.34,682 11.267,683 12.184,684 13.118,685 4.3,686 1,692 5,699 4,704 2,706 6,720 138,721 1,723 13,724 1,725 69,727 142,728 47,729 6,730 2,731 4,735 5,736 8,741 10,742 2,744 1,745 6,746 3,748 15,749 13,750 34,751 5,754 7,759 7,763 7,768 73,769 17,770 8,771 18,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 10,821 65,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 3,840 8,842 2,843 7,844 2,847 38.083,848 26.767,849 13.819,850 8.754,851 0.671,852 1.073,853 0.959,854 17.221,855 9.886,856 4.382,857 4.856,858 5.166,859 5.476,860 5.799,861 5.874,862 5.999,863 6.084,864 6.255,865 6.478,866 1,867 108,868 24.854,870 11.279,871 7.988,872 46.38,874 39.921,877 2.488,878 161.75,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.607,928 0.342,929 0.168,930 0.089,931 46,932 28,933 0.148,934 21,935 3,936 1.238,937 6.237,938 777.536,939 0.286,940 20,941 376.699,945 52.591,946 21.285,947 12.4,949 150.083,950 8.527,955 2.342,957 60.694,958 547.756,959 79,964 91.633,968 -5.95,969 138.141,970 156.939,971 0.219,972 0.474,973 0.69,974 0.829,975 0.855,976 0.865,977 5.725,978 2.636,979 6.788,980 8.795,981 5.342,982 5.545,983 3.946,984 7.708,985 5.3,986 6.935,987 2.563,988 8.438,989 8.593,990 5.323,991 5.568,992 3.633,993 9.066,994 5.265,995 8.27,996 2.456,997 10.203,998 7.733,999 7.114,1000 7.486,1001 5.157,1002 12.164,1003 7.025,1004 9.632,1005 2.179,1006 12.038,1007 7.001,1008 7.86,1009 8.227,1010 5.443,1011 14.364,1012 7.757,1013 11.028,1014 2.068,1015 13.921,1016 6.569,1017 9.25,1018 9.742,1019 6.551,1020 17.136,1021 9.12,1022 12.445,1023 2.056,1024 15.84,1025 6.093,1026 10.304,1027 10.767,1028 7.097,1029 19.66,1030 10.16,1031 13.881,1032 1.957,1033 17.786,1034 5.159,1035 11.589,1036 12.157,1037 8.039,1038 22.375,1039 11.423,1040 3.847,1041 1.8,1042 19.755,1043 5.09,1044 12.775,1045 13.311,1046 8.718,1047 25.028,1048 12.594,1049 3.313,1050 15.757,1051 21.742,1052 4.737,1053 14.045,1054 14.661,1055 9.589,1056 27.747,1057 13.845,1058 3.203,1059 12.336,1060 23.745,1061 3.848,1062 15.293,1063 15.882,1064 10.339,1065 30.453,1066 15.077,1067 3.173,1068 11.657,1069 25.76,1070 3.834,1071 16.574,1072 17.218,1073 11.182,1074 33.185,1075 16.34,1076 2.989,1077 11.03,1078 27.787,1079 3.454,1080 17.855,1081 18.479,1082 11.971,1083 35.916,1084 17.604,1085 2.842,1086 9.697,1087 29.823,1088 3.282,1089 19.151,1090 19.812,1091 12.805,1092 38.658,1093 18.883,1094 2.762,1095 9.153,1096 31.867,1097 3.201,1098 20.452,1099 21.099,1100 13.616,1101 41.401,1102 20.167,1103 90333,1104 143142,1105 42.191,1106 85.262,1107 108.334,1108 113.042,1109 112.309,1110 106.754,1111 106.641,1112 118.375,1113 32.089,1114 330.556,1115 104.525,1116 5.847,1117 5.976,1118 7.63,1119 5.96,1120 5.847,1121 6.848,1122 3.925,1123 24.986,1124 5.774,1125 54.058,1126 1.57,1127 1.638,1128 1.628,1129 1.547,1130 1.546,1131 1.716,1132 0.465,1133 4.791,1134 1.515,1135 4.107,1136 4.14,1137 4.024,1138 4.024,1139 7.479,1140 3.921,1141 3.992,1142 4.029,1143 3.915,1144 3.926,1145 7.472,1146 3.837,1147 3.934,1148 3.975,1149 3.86,1150 3.779,1151 7.439,1152 3.649,1153 3.862,1154 3.909,1155 3.783,1156 3.687,1157 7.429,1158 3.473,1159 3.774,1160 3.822,1161 3.685,1162 3.621,1163 7.426,1164 3.293,1165 3.703,1166 3.754,1167 3.6,1168 3.59,1169 7.423,1170 3.068,1171 3.671,1172 3.724,1173 3.562,1174 3.538,1175 7.421,1176 2.932,1177 3.651,1178 3.698,1179 3.514,1180 3.484,1181 6.352,1182 2.771,1183 0.07,1184 0.058,1185 0.118,1186 0.07,1187 0.056,1188 4.847,1189 0.056,1190 3.976,1191 0.034,1192 8.155,1193 0.228,1194 4.827,1195 0.055,1196 3.847,1197 3.848,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.976,1208 1.949,1209 2.109,1210 2.055,1211 1.338,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.018,1217 1.277,1218 1.892,1219 1.757,1220 1.711,1221 1.96,1222 1.962,1223 1.241,1224 1.772,1225 1.714,1226 1.668,1227 1.928,1228 1.898,1229 1.23,1230 1.588,1231 1.694,1232 1.641,1233 1.913,1234 1.866,1235 1.205,1236 1.503,1237 1.62,1238 1.573,1239 1.859,1240 1.826,1241 1.204,1242 1.389,1243 1.613,1244 1.566,1245 1.814,1246 1.786,1247 1.05,1248 1.224,1249 4.934,1251 6.333,1252 3.045,1253 7.91,1254 5.416,1255 9.58,1256 7.564,1257 11.311,1259 20.124,1263 5.678,1264 18.344,1265 2.815,1266 10.983,1267 13.597,1269 -0.687,1270 -6.814,1271 1.512,1272 -0.355,1273 33.733,1274 214.49,1275 465.337,1276 676.511,1277 813.653,1278 838.408,1279 848.408,1280 345.773,1281 9.214,1282 255.79,1283 255.79,1284 26,1285 13.621,1286 3.807,1287 3.459,1288 137.483,1289 471,1290 486,1291 0.137,1292 489.557,1293 921.13,1294 1186.28,1295 157180,1297 48.344,1298 0.744,1299 0.614,1300 48.344,1301 39.902,1302 30.236,1303 0.438,1304 0.339,1305 23.119,1306 29.076,1307 22.187,1308 18.444,1309 30.236,1310 23.379,1311 30.49,1312 0.293,1313 0.205,1314 30.49,1315 21.286,1316 23.262,1317 0.175,1318 0.109,1319 23.262,1320 14.516,1321 18.37,1322 0.11,1323 0.061,1324 18.37,1325 10.125,1326 14.003,1327 0.068,1328 0.033,1329 14.003,1330 6.84,1331 0.219,1332 190.074,1333 0.154,1334 52.546,1335 0.364,1336 346,1337 992.575,1338 385.816,1339 931.341,1340 1215.6,1341 858,1342 410,1343 843.218,1344 447.608,1345 846.982,1346 1243.04,1347 793,1348 4.222}
{0 CHEMBL326616,1 1.726,2 13.65,3 4.387,4 19.246,5 145.413,6 8.171,7 0.286,8 4.306,9 4.412,10 3.918,11 3.816,12 5.536,13 3.824,14 4.843,15 4.992,16 4.33,17 4.168,18 6.412,19 4.162,20 5.094,21 5.274,22 4.379,23 4.314,24 6.518,25 4.28,26 5.213,27 5.428,28 4.361,29 4.29,30 6.495,31 4.268,32 5.194,33 5.38,34 4.468,35 4.229,36 6.77,37 4.258,38 5.179,39 5.366,40 4.368,41 4.205,42 6.752,43 4.228,44 5.099,45 5.298,46 4.323,47 4.269,48 6.396,49 4.259,50 5.106,51 5.266,52 4.468,53 4.349,54 6.588,55 4.342,56 0.212,57 1.141,58 11.396,59 6.367,60 35.899,61 7.204,62 1.183,63 2.12,64 24.259,65 10.284,66 172.804,67 12.276,68 1.209,69 1.997,70 33.353,71 13.039,72 202.03,73 16.358,74 1.315,75 2.171,76 42.057,77 13.625,78 182.405,79 17.251,80 1.664,81 2.258,82 41.192,83 13.35,84 266.776,85 15.274,86 2.053,87 2.312,88 42.124,89 12.485,90 357.428,91 12.719,92 1.302,93 2.014,94 36.588,95 11.782,96 164.89,97 14.196,98 1.051,99 2.074,100 32.691,101 13.507,102 164.806,103 16.186,105 91,106 58,107 0.271,108 0.594,109 0.75,110 0.822,111 0.853,112 0.857,113 3.717,114 0.879,115 -3.89,116 -3.85,117 -3.65,120 42.6,121 2,123 1,126 2,128 1,132 1,135 4,138 2,140 10,141 2,151 1,153 2,154 1,165 17,167 2,168 3,171 3,173 2,176 17,181 1,182 6,185 4,187 3,190 12,195 11,200 1,203 5,206 6,207 13,210 1,212 5,215 4,219 1,220 9,223 1,224 1,225 5,227 5,231 10,236 3,239 8,244 3,245 14,248 2,250 5,253 11,258 11,261 1,263 6,266 9,270 4098,271 25.938,272 25.938,273 25.938,274 25.938,275 25.938,276 23.37,277 24.507,278 15.388,279 26.425,280 20.69,281 20.69,282 20.69,283 20.69,284 20.69,285 16.681,286 28.421,287 7.328,288 21.504,289 4.362,290 2.298,291 1.309,292 0.85,293 0.651,294 0.622,295 4.393,302 1,303 1124,304 5.568,307 485.017,313 2.235,314 78.178,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.67,323 0.5,324 0.66,325 91,326 546,327 4.464,328 4.61,329 7.213,330 4.266,331 3.368,332 3.77,333 3.975,334 11.99,335 3.081,336 4.396,337 3.814,338 6.638,339 4.084,340 3.12,341 3.605,342 2.204,343 10.566,344 3.001,345 3.961,346 3.647,347 6.004,348 3.585,349 2.656,350 3.505,351 1.966,352 8.361,353 2.536,354 3.909,355 3.549,356 5.722,357 3.551,358 2.581,359 3.447,360 1.793,361 7.716,362 2.5,363 3.796,364 3.272,365 5.36,366 3.52,367 2.526,368 3.024,369 1.197,370 7.011,371 2.425,372 3.704,373 2.762,374 5.337,375 3.388,376 2.418,377 2.855,378 0.814,379 6.943,380 2.306,381 3.496,382 2.688,383 5.016,384 3.151,385 2.144,386 2.687,387 0.363,388 5.882,389 2.132,390 3.424,391 2.478,392 4.956,393 3.053,394 2.068,395 2.479,396 0.181,397 5.743,398 2.01,399 3.073,400 2.373,401 4.555,402 2.619,403 1.64,404 2.157,405 0.141,406 4.462,407 1.594,408 2.98,409 2.128,410 4.299,411 2.49,412 1.489,413 2.106,415 3.449,416 1.49,417 2.91,418 1.744,419 3.663,420 2.472,421 1.477,422 2.055,424 3.152,425 1.466,426 2.647,427 1.581,428 3.63,429 2.351,430 1.365,431 1.572,433 3.125,434 1.3,435 2.5,436 1.418,437 3.494,438 2,439 1,440 1.5,442 2.136,443 1,444 2.5,445 1.261,446 3.247,447 2,448 1,449 1.5,451 2.136,452 1,453 2.406,454 1.258,455 3.247,456 1.795,457 0.799,458 1.146,460 1.915,461 0.792,462 18.224,463 0.456,464 1.221,465 0.031,466 47.5,467 1.188,468 22.5,469 0.563,470 25,471 0.625,472 38.434,473 0.961,474 44.776,475 0.658,476 49.572,477 1.239,478 10.143,479 0.254,480 8.808,481 0.22,482 0.175,483 0.027,484 0.296,487 3,490 0.609,491 1.075,492 0.685,493 1.118,494 0.575,495 0.974,496 0.466,497 0.872,498 0.749,499 1.046,500 0.448,501 1.018,502 0.576,503 0.863,504 0.873,505 1.092,506 0.596,507 1.098,508 0.941,509 0.804,510 0.942,511 0.95,512 0.938,513 0.94,514 1.184,515 1.125,516 0.947,517 0.982,518 1.182,519 0.906,520 1.656,521 1.104,522 1.351,523 0.829,524 1.683,525 0.921,526 1.069,527 0.648,528 1.028,529 0.744,530 1.066,531 0.819,532 0.714,533 0.967,534 0.811,535 1.131,536 0.755,537 1.046,538 9.5,539 0.466,540 4.667,541 2.625,542 2.787,543 1.285,544 0.814,545 1.002,546 0.736,547 0.532,548 24508,549 85275,550 1.946,551 41.2,552 6,553 19,556 2,558 1,560 1.807,561 1.784,562 3.685,563 0.174,569 117.341,570 1.726,571 3.789,572 4.779,573 5.238,574 5.437,575 5.466,576 3.066,577 4.734,578 5.288,579 3.945,580 3077.15,581 9.378,582 55037.5,587 413.947,588 1.64,589 5.222,590 0.226,591 0.009,592 0.08,593 0.044,594 0.048,595 0.02,596 0.014,597 0.017,598 0.011,599 0.009,600 0.479,601 0.33,602 0.75,603 1.499,604 226.322,605 -0.04,606 -0.084,607 0.017,608 -0.041,609 -0.07,610 -0.001,611 0.359,612 0.179,613 0.097,614 -0.022,615 0.288,616 -0.059,617 0.166,618 -0.028,619 0.01,620 -0.111,621 0.135,622 -0.115,623 -0.056,624 0.025,625 0.038,626 -0.012,627 -0.073,628 0.036,629 -0.003,630 -0.147,631 0.078,632 -0.032,633 0.032,634 0.029,635 -0.216,636 0.15,637 -0.28,638 0.117,639 -0.188,640 -0.04,641 -0.145,642 0.253,643 -0.077,644 0.193,645 -0.149,646 0.123,647 0.085,648 -0.139,649 0.064,650 -0.127,651 0.092,652 -0.065,653 6.396,654 6.291,655 0.45,656 54.773,657 1.027,658 1.138,659 2.659,660 7.072,661 0.658,662 3.761,663 4.078,664 4.248,665 4.419,666 4.605,667 4.511,668 4.625,669 4.812,670 4.898,671 4.949,672 8.562,673 0.649,674 555.6,675 3.761,676 5.303,677 6.12,678 6.984,679 7.822,680 8.686,681 9.534,682 10.4,683 11.255,684 12.122,685 4.4,692 3,699 10,704 2,706 12,720 68,723 19,724 2,725 42,727 70,728 29,729 12,730 2,731 10,732 7,735 3,736 3,741 3,747 1,748 1,749 22,750 7,751 1,754 7,759 4,761 4,763 6,766 3,768 28,769 11,770 2,771 11,775 3,780 1,781 5,789 3,798 1,800 1,801 1,805 6,810 1,813 3,817 2,819 3,821 40,828 2,829 2,830 1,833 2,834 1,835 1,839 3,840 7.4,843 4,845 1,847 22.417,848 12.545,849 8.806,850 3.884,851 2.836,852 1.37,853 0.939,854 10.605,855 10.489,856 4.025,857 4.522,858 4.938,859 5.332,860 5.793,861 5.782,862 6.094,863 6.454,864 6.796,865 7.046,866 0.889,867 60,868 16.183,870 8.095,871 8.369,872 26.849,874 21.246,877 2.869,878 114.75,882 306.049,883 197.965,884 39.146,886 111.58,887 44.88,889 197.965,890 417.628,891 84.026,892 17.65,893 45.844,894 132.667,895 120.636,896 62.251,897 6.763,898 306.049,899 7.76,900 306.049,901 237.111,902 156.46,905 294.278,906 168.231,909 71.254,910 122.439,911 43.418,913 350.929,914 150.725,915 197.965,918 313.808,919 39.888,920 153.442,921 36.022,922 156.46,923 306.049,924 195.606,925 197.965,927 0.584,928 0.324,929 0.162,930 0.091,931 23,932 13,933 0.157,934 11,936 1,937 4.794,938 375.943,940 18,941 195.367,945 30.553,946 13.884,947 9.036,949 195.606,950 17.89,955 1.509,957 36.022,958 699.62,959 55,964 50.279,966 6.008,968 -4.782,969 69.85,970 77.374,971 0.283,972 0.622,973 0.785,974 0.86,975 0.893,976 0.898,977 5.273,978 2.068,979 6.133,980 5.882,981 4.762,982 5.209,983 3.872,984 6.938,985 4.689,986 6.475,987 1.64,988 7.704,989 5.743,990 4.511,991 4.956,992 4.182,993 8.023,994 4.328,995 7.773,996 1.489,997 9.386,998 4.462,999 6.392,1000 7.234,1001 5.828,1002 11.038,1003 6.215,1004 9.102,1005 1.477,1006 11.137,1007 3.449,1008 6.929,1009 7.695,1010 6.945,1011 12.942,1012 6.628,1013 10.459,1014 1.365,1015 12.934,1016 3.152,1017 8.342,1018 9.51,1019 8.355,1020 15.566,1021 8.028,1022 11.838,1023 1,1024 14.764,1025 3.125,1026 9.227,1027 10.303,1028 9.678,1029 17.794,1030 8.794,1031 13.233,1032 1,1033 16.618,1034 2.136,1035 10.476,1036 11.912,1037 11.059,1038 20.304,1039 10.005,1040 3.368,1041 0.799,1042 18.492,1043 2.136,1044 11.523,1045 12.887,1046 12.427,1047 22.667,1048 10.943,1049 3.12,1050 11.99,1051 20.382,1052 1.915,1053 12.718,1054 14.383,1055 13.806,1056 25.143,1057 12.081,1058 2.656,1059 10.566,1060 22.285,1061 3.77,1062 13.84,1063 15.47,1064 15.183,1065 27.564,1066 13.104,1067 2.581,1068 8.361,1069 24.198,1070 3.605,1071 15.023,1072 16.896,1073 16.562,1074 30.031,1075 14.215,1076 2.526,1077 7.716,1078 26.12,1079 3.505,1080 16.181,1081 18.054,1082 17.942,1083 32.478,1084 15.281,1085 2.418,1086 7.011,1087 28.05,1088 3.447,1089 17.365,1090 19.437,1091 19.322,1092 34.945,1093 16.385,1094 2.144,1095 6.943,1096 29.985,1097 3.024,1098 18.542,1099 20.642,1100 20.702,1101 37.405,1102 17.473,1103 24241,1104 45515,1105 26.641,1106 44.762,1107 64.266,1108 64.669,1109 64.038,1110 62.582,1111 62.27,1112 78.403,1113 25.267,1114 176.419,1115 60.097,1116 5.44,1117 6.61,1118 7.015,1119 5.343,1120 5.368,1121 6.77,1122 5.723,1123 19.63,1124 5.081,1125 25.937,1126 1.53,1127 1.54,1128 1.525,1129 1.49,1130 1.483,1131 1.867,1132 0.602,1133 4.2,1134 1.431,1135 3.991,1136 4.023,1137 3.938,1138 3.904,1139 8.516,1140 3.903,1141 3.902,1142 3.931,1143 3.83,1144 3.841,1145 7.999,1146 3.834,1147 3.862,1148 3.896,1149 3.8,1150 3.744,1151 7.999,1152 3.755,1153 3.817,1154 3.854,1155 3.769,1156 3.658,1157 7.44,1158 3.67,1159 3.52,1160 3.552,1161 3.479,1162 3.292,1163 7.43,1164 3.315,1165 3.47,1166 3.521,1167 3.413,1168 3.257,1169 7.423,1170 3.268,1171 3.432,1172 3.465,1173 3.318,1174 3.179,1175 7.416,1176 3.228,1177 3.295,1178 3.322,1179 3.212,1180 3.094,1181 4.806,1182 3.121,1183 0.106,1184 0.11,1185 0.172,1186 0.102,1187 0.08,1188 4.464,1189 0.09,1190 4.61,1191 0.095,1192 7.213,1193 0.285,1194 4.266,1195 0.073,1196 3.368,1197 3.77,1198 3.975,1199 11.99,1200 3.081,1201 1.937,1202 1.91,1203 2.05,1204 2.042,1205 1.25,1206 2.038,1207 1.904,1208 1.876,1209 2.033,1210 1.993,1211 1.134,1212 2.007,1213 1.819,1214 1.786,1215 1.981,1216 1.974,1217 1.129,1218 1.974,1219 1.762,1220 1.718,1221 1.907,1222 1.93,1223 1.024,1224 1.927,1225 1.413,1226 1.369,1227 1.614,1228 1.681,1229 0.746,1230 1.658,1231 1.383,1232 1.343,1233 1.546,1234 1.633,1235 0.618,1236 1.587,1237 1.29,1238 1.261,1239 1.463,1240 1.576,1241 0.572,1242 1.528,1243 1.227,1244 1.196,1245 1.423,1246 1.44,1247 0.557,1248 1.445,1249 4.443,1251 5.759,1253 7.252,1255 8.825,1257 10.443,1259 2.723,1261 39.165,1265 -0.763,1266 4.433,1267 5.145,1270 -2.694,1271 0.983,1272 -5.146,1273 44.163,1274 117.341,1275 257.651,1276 324.954,1277 356.173,1278 369.683,1279 371.683,1280 156.884,1281 7.653,1282 106.5,1283 106.5,1284 18,1285 12.67,1286 4.322,1287 3.807,1288 86.731,1289 191,1290 240,1291 0.202,1292 272.671,1293 512.22,1294 657.076,1295 22555,1296 4.4,1297 29.286,1298 0.732,1299 0.544,1300 26.786,1301 21.774,1302 18.951,1303 0.451,1304 0.293,1305 12.079,1306 18.054,1307 11.81,1308 9.836,1309 17.74,1310 12.305,1311 17.763,1312 0.306,1313 0.158,1314 15.853,1315 9.145,1316 13.314,1317 0.193,1318 0.083,1319 12.162,1320 5.75,1321 10.06,1322 0.123,1323 0.045,1324 9.678,1325 3.685,1326 8.285,1327 0.084,1328 0.024,1329 7.619,1330 2.39,1331 0.318,1332 120.53,1333 0.194,1334 36.076,1335 0.552,1336 200,1337 863.322,1338 236.493,1339 740.738,1340 948,1341 682,1342 227,1343 642.746,1344 257.399,1345 628.652,1346 931.55,1347 587,1348 5.237}
{0 CHEMBL331243,1 1.612,2 19.048,3 1.487,4 2.211,5 222.218,6 7.064,7 0.095,8 4.884,9 5.013,10 4.335,11 4.3,12 6.071,13 4.287,14 5.443,15 5.631,16 4.706,17 4.69,18 6.687,19 4.639,20 5.807,21 6.019,22 4.83,23 4.895,24 7.014,25 4.826,26 5.972,27 6.217,28 4.93,29 4.953,30 7.137,31 4.9,32 5.977,33 6.186,34 5.105,35 4.994,36 7.466,37 4.972,38 6.051,39 6.259,40 5.124,41 5.101,42 7.405,43 5.063,44 6.164,45 6.377,46 5.167,47 5.209,48 7.42,49 5.16,50 6.271,51 6.495,52 5.262,53 5.293,54 7.635,55 5.23,56 0.327,57 1.714,58 27.741,59 11.21,60 60.61,61 15.332,62 1.097,63 2.607,64 51.762,65 18.241,66 207.236,67 26.693,68 1.99,69 3.296,70 78.695,71 23.326,72 350.28,73 34.708,74 2.311,75 3.575,76 95.953,77 24.184,78 398.142,79 38.26,80 3.278,81 3.689,82 96.004,83 24.297,84 609.194,85 37.531,86 3.082,87 4.051,88 102.545,89 27.757,90 566.746,91 41.432,92 2.846,93 4.484,94 114.238,95 31.37,96 537.349,97 46.911,98 3.944,99 4.84,100 128.941,101 35.612,102 746.996,103 53.535,105 614,106 86,107 0.226,108 0.48,109 0.685,110 0.823,111 0.873,112 0.887,113 4.161,114 0.982,115 -0.23,116 -0.37,117 -0.54,120 33.3,121 7,122 10,123 1,124 1,128 6,140 4,141 2,151 1,153 10,158 1,159 1,160 1,162 3,164 3,165 19,166 3,168 4,170 1,171 10,173 10,176 18,177 2,181 1,182 9,184 1,185 7,186 5,187 15,188 1,190 9,195 14,196 2,198 2,199 2,200 12,201 3,202 1,203 3,205 1,206 8,207 14,208 2,210 10,211 3,212 15,213 1,215 6,216 1,217 1,219 3,220 17,221 1,222 1,223 9,224 5,225 18,227 13,228 3,229 1,230 1,231 21,232 2,234 2,235 1,236 16,237 3,238 1,239 18,240 3,241 1,242 2,244 7,245 17,246 3,248 9,249 3,250 15,251 3,253 30,254 1,255 1,256 1,257 3,258 16,259 3,260 1,261 9,262 5,263 17,264 2,266 29,267 5,268 2,270 12614,271 39.291,272 39.291,273 39.291,274 39.291,275 39.291,276 36.786,277 39.103,278 23.37,279 39.426,280 30.957,281 30.957,282 30.957,283 30.957,284 30.957,285 26.79,286 35.12,287 11.058,288 31.088,289 5.365,290 3.553,291 2.093,292 1.109,293 0.754,294 0.653,295 4.814,303 2348,304 8.775,307 300.321,313 2.782,314 148.857,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 143.5,326 1200,327 4.419,328 3.933,329 7.241,330 4.369,331 3.377,332 3.783,333 2.341,334 12.187,335 3.348,336 4.2,337 3.899,338 6.317,339 3.963,340 2.965,341 3.498,342 2.341,343 9.391,344 2.974,345 4.168,346 3.842,347 6.231,348 3.952,349 2.957,350 3.427,351 2.341,352 9.319,353 2.922,354 4.085,355 3.754,356 6.129,357 3.863,358 2.871,359 3.266,360 2.007,361 8.978,362 2.841,363 3.944,364 3.683,365 6.045,366 3.753,367 2.748,368 3.125,369 1.989,370 8.616,371 2.747,372 3.933,373 3.628,374 5.962,375 3.706,376 2.71,377 3.091,378 1.962,379 8.383,380 2.689,381 3.769,382 3.61,383 5.822,384 3.548,385 2.548,386 2.927,387 1.932,388 7.888,389 2.538,390 3.639,391 3.584,392 5.372,393 3.358,394 2.342,395 2.81,396 1.906,397 6.566,398 2.362,399 3.528,400 3.544,401 5.038,402 3.212,403 2.202,404 2.689,405 1.886,406 6.041,407 2.211,408 3.471,409 3.484,410 4.924,411 3.18,412 2.171,413 2.623,414 1.38,415 5.433,416 2.163,417 3.464,418 3.05,419 4.684,420 3.117,421 2.114,422 2.58,423 0.98,424 5.161,425 2.114,426 3.425,427 2.998,428 4.657,429 3.09,430 2.08,431 2.571,432 0.41,433 5.094,434 2.07,435 3.219,436 2.969,437 4.61,438 3.039,439 2.018,440 2.237,441 0.354,442 4.954,443 2.031,444 3.066,445 2.35,446 4.575,447 2.907,448 1.898,449 2.09,450 0.27,451 4.806,452 1.906,453 2.934,454 2.223,455 4.415,456 2.592,457 1.598,458 2.074,459 0.171,460 4.3,461 1.58,462 28.467,463 0.452,464 2.239,465 0.036,466 60.75,467 0.964,468 22.5,469 0.357,470 38.25,471 0.607,472 98.104,473 1.557,474 76.533,475 0.607,476 82.265,477 1.306,478 11.835,479 0.188,480 17.426,481 0.277,482 0.301,483 0.018,484 0.351,490 0.756,491 1.488,492 0.889,493 1.306,494 0.657,495 1.142,496 0.436,497 1.394,498 0.787,499 1.285,500 0.446,501 1.147,502 0.904,503 1.175,504 1.064,505 1.164,506 0.934,507 1.158,508 1.053,509 1.02,510 0.937,511 0.905,512 1.013,513 0.879,514 0.94,515 1.077,516 0.936,517 0.964,518 0.94,519 0.94,520 1.068,521 1.03,522 1.044,523 0.995,524 1.082,525 1.004,526 1.17,527 1.107,528 1.091,529 1.057,530 1.144,531 1.045,532 0.941,533 0.986,534 0.979,535 0.973,536 0.948,537 0.981,538 18,539 1.103,540 8,541 4.75,542 4.742,543 3.007,544 2.224,545 2.293,546 1.634,547 1.21,548 71633,549 243579,550 1.805,551 50,552 26,553 10,556 11,557 8,558 8,560 1.911,561 1.619,562 4.121,563 6.515,569 203.137,570 1.612,571 3.424,572 4.885,573 5.869,574 6.223,575 6.324,576 3.586,577 5.572,578 5.948,579 4.358,580 8510.47,581 10.71,582 205874,587 879.137,588 1.676,589 5.842,590 0.286,591 0.009,592 0.093,593 0.052,594 0.046,595 0.025,596 0.018,597 0.018,598 0.012,599 0.009,600 0.566,601 0.17,602 0.5,603 3.058,604 402.785,605 -0.099,606 -0.045,607 -0.023,608 0.018,609 -0.063,610 0.021,611 0.22,612 -0.143,613 0.107,614 -0.094,615 0.164,616 -0.038,617 -0.018,618 -0.052,619 -0.105,620 -0.103,621 -0.073,622 -0.132,623 -0.109,624 -0.002,625 0.054,626 0.053,627 -0.097,628 0.095,629 0.14,630 -0.001,631 0.073,632 0.019,633 0.146,634 0.029,635 -0.021,636 0.062,637 -0.047,638 0.016,639 -0.025,640 -0.018,641 -0.158,642 -0.031,643 -0.103,644 -0.033,645 -0.119,646 -0.046,647 0.054,648 0.046,649 0.01,650 0.038,651 0.056,652 0.016,653 3.21,654 7.307,655 0.095,656 102.511,657 1.016,658 1.143,659 -0.996,660 0.992,661 0.609,662 4.159,663 4.466,664 4.564,665 4.718,666 4.883,667 4.89,668 4.949,669 5.05,670 5.037,671 5.017,672 11.173,673 0.587,674 890.12,675 4.159,676 5.7,677 6.494,678 7.353,679 8.177,680 9.037,681 9.875,682 10.737,683 11.582,684 12.446,685 5.6,692 7,699 4,704 2,706 6,720 126,723 17,724 1,725 63,727 126,728 42,729 6,730 2,731 4,732 2,735 1,736 1,741 7,742 1,748 16,749 17,750 25,751 1,754 11,759 11,763 11,768 63,769 21,770 11,771 21,775 7,780 1,781 14,789 1,798 1,799 1,800 6,802 3,811 3,813 1,817 7,821 63,822 1,827 3,828 10,829 6,833 7,835 1,840 11.1,842 3,843 11,847 38.917,848 23.433,849 14.139,850 7.567,851 0.885,852 1.114,853 0.854,854 24.518,855 8.657,856 4.357,857 4.775,858 4.968,859 5.214,860 5.567,861 5.472,862 5.541,863 5.77,864 5.856,865 5.912,866 0.923,867 92,868 24.231,870 10.837,871 8.409,872 42.647,874 33.696,877 2.909,878 183.25,882 612.097,883 172.194,884 140.962,886 404.644,889 172.194,890 1016.74,891 140.962,892 61.776,893 166.307,894 37.905,895 445.44,896 6.371,898 612.097,900 612.097,901 313.155,902 404.644,905 517.928,906 498.813,909 228.083,910 85.072,913 612.097,914 545.606,915 172.194,918 612.097,919 72.512,920 99.681,921 108.065,922 437.541,923 612.097,924 545.606,925 172.194,927 0.581,928 0.304,929 0.149,930 0.089,931 26,932 22,933 0.23,934 29,936 1,937 5.876,938 692.198,940 6,941 365.814,945 56.277,946 27.447,947 21.462,949 545.606,950 6.828,955 1.276,957 269.012,958 1329.9,959 77,964 140.085,968 -12.263,969 128.036,970 144.045,971 0.231,972 0.491,973 0.7,974 0.841,975 0.892,976 0.906,977 5.622,978 2.342,979 6.521,980 7.888,981 5.153,982 5.464,983 4.269,984 7.31,985 5.144,986 6.808,987 2.202,988 8.089,989 6.566,990 4.977,991 5.421,992 3.907,993 8.337,994 4.978,995 8.101,996 2.171,997 9.761,998 6.041,999 6.763,1000 7.363,1001 5.462,1002 11.335,1003 6.738,1004 9.416,1005 2.114,1006 11.495,1007 5.433,1008 7.314,1009 8.016,1010 5.732,1011 13.166,1012 7.301,1013 10.757,1014 2.08,1015 13.269,1016 5.161,1017 8.671,1018 9.544,1019 6.853,1020 15.768,1021 8.633,1022 12.115,1023 2.018,1024 15.073,1025 5.094,1026 9.541,1027 10.488,1028 7.401,1029 17.951,1030 9.509,1031 13.487,1032 1.898,1033 16.9,1034 4.954,1035 10.751,1036 11.878,1037 8.351,1038 20.438,1039 10.7,1040 3.377,1041 1.598,1042 18.746,1043 4.806,1044 11.772,1045 12.96,1046 9.038,1047 22.784,1048 11.72,1049 2.965,1050 12.187,1051 20.609,1052 4.3,1053 12.936,1054 14.301,1055 9.916,1056 25.249,1057 12.869,1058 2.957,1059 9.391,1060 22.486,1061 3.783,1062 14.03,1063 15.457,1064 10.674,1065 27.672,1066 13.959,1067 2.871,1068 9.319,1069 24.375,1070 3.498,1071 15.186,1072 16.779,1073 11.523,1074 30.143,1075 15.103,1076 2.748,1077 8.978,1078 26.274,1079 3.427,1080 16.32,1081 17.981,1082 12.32,1083 32.603,1084 16.23,1085 2.71,1086 8.616,1087 28.184,1088 3.266,1089 17.482,1090 19.296,1091 13.16,1092 35.083,1093 17.381,1094 2.548,1095 8.383,1096 30.102,1097 3.125,1098 18.639,1099 20.529,1100 13.977,1101 37.562,1102 18.53,1103 74619,1104 138130,1105 37.221,1106 76.722,1107 94.585,1108 100.792,1109 97.794,1110 92.642,1111 92.532,1112 108.517,1113 44.707,1114 259.937,1115 92.271,1116 5.411,1117 5.933,1118 7.102,1119 5.428,1120 5.377,1121 6.783,1122 3.925,1123 19.665,1124 5.348,1125 55.056,1126 1.501,1127 1.6,1128 1.552,1129 1.471,1130 1.469,1131 1.722,1132 0.71,1133 4.126,1134 1.465,1135 4.008,1136 4.048,1137 3.932,1138 3.913,1139 7.505,1140 3.909,1141 3.899,1142 3.938,1143 3.823,1144 3.765,1145 7.48,1146 3.772,1147 3.846,1148 3.887,1149 3.774,1150 3.669,1151 7.472,1152 3.679,1153 3.817,1154 3.863,1155 3.734,1156 3.66,1157 7.472,1158 3.672,1159 3.745,1160 3.791,1161 3.659,1162 3.601,1163 7.44,1164 3.591,1165 3.729,1166 3.779,1167 3.606,1168 3.559,1169 7.43,1170 3.574,1171 3.631,1172 3.659,1173 3.543,1174 3.441,1175 7.428,1176 3.457,1177 3.596,1178 3.637,1179 3.5,1180 3.411,1181 7.425,1182 3.424,1183 0.07,1184 0.062,1185 0.115,1186 0.069,1187 0.054,1188 4.419,1189 0.06,1190 3.933,1191 0.037,1192 7.241,1193 0.193,1194 4.369,1195 0.053,1196 3.377,1197 3.783,1198 2.341,1199 12.187,1200 3.348,1201 1.95,1202 1.922,1203 2.076,1204 2.054,1205 1.334,1206 2.058,1207 1.839,1208 1.792,1209 2.032,1210 2.014,1211 1.31,1212 2.017,1213 1.789,1214 1.741,1215 2.007,1216 1.981,1217 1.289,1218 1.975,1219 1.766,1220 1.723,1221 1.99,1222 1.962,1223 1.262,1224 1.963,1225 1.74,1226 1.683,1227 1.933,1228 1.907,1229 1.226,1230 1.935,1231 1.683,1232 1.642,1233 1.873,1234 1.893,1235 1.134,1236 1.886,1237 1.567,1238 1.532,1239 1.769,1240 1.786,1241 1.049,1242 1.776,1243 1.54,1244 1.495,1245 1.753,1246 1.761,1247 0.941,1248 1.764,1249 4.844,1251 6.155,1253 7.615,1255 9.151,1257 10.732,1259 12.042,1263 5.226,1264 27.737,1265 -2.323,1266 14.738,1270 -9.047,1272 -1.048,1273 73.907,1274 203.137,1275 431.482,1276 615.462,1277 739.449,1278 784.079,1279 796.834,1280 973.935,1281 7.772,1282 346.66,1283 346.66,1284 6,1285 12.997,1286 4.17,1287 3.907,1288 344.931,1289 410,1290 470,1291 0.385,1292 468.779,1293 875,1294 1135.58,1295 23793,1297 48.189,1298 0.765,1299 0.585,1300 48.189,1301 36.832,1302 29.261,1303 0.464,1304 0.327,1305 20.298,1306 27.874,1307 19.637,1308 16.457,1309 29.261,1310 20.614,1311 27.883,1312 0.324,1313 0.195,1314 27.883,1315 16.727,1316 18.565,1317 0.195,1318 0.102,1319 18.565,1320 9.672,1321 13.75,1322 0.124,1323 0.056,1324 13.75,1325 6.218,1326 11.089,1327 0.085,1328 0.031,1329 11.089,1330 4.002,1331 0.608,1332 186.387,1333 0.164,1334 50.951,1335 1.047,1336 298,1337 1114.85,1338 342.238,1339 1040.3,1340 1298.62,1341 946,1342 330,1343 848.767,1344 368.212,1345 844.626,1346 1205.65,1347 787,1348 6.523}
{0 CHEMBL335613,1 1.927,2 10.107,3 3.734,4 13.943,5 108.624,6 10.035,7 0.533,8 3.902,9 3.95,10 3.992,11 3.627,12 5.055,13 3.541,14 4.445,15 4.538,16 4.322,17 4.015,18 6.029,19 3.932,20 4.658,21 4.75,22 4.438,23 4.134,24 6.092,25 4.049,26 4.729,27 4.829,28 4.411,29 4.16,30 6.164,31 4.043,32 4.807,33 4.951,34 4.444,35 4.061,36 6.213,37 3.976,38 4.751,39 4.881,40 4.312,41 3.945,42 6.581,43 3.881,44 4.576,45 4.719,46 4.079,47 3.838,48 6.152,49 3.735,50 4.413,51 4.574,52 3.834,53 3.766,54 5.898,55 3.652,56 0.172,57 0.691,58 8.58,59 5.214,60 41.363,61 4.366,62 0.564,63 1.125,64 20.901,65 9.427,66 106.765,67 8.435,68 0.732,69 1.408,70 20.861,71 10.68,72 139.831,73 8.282,74 0.677,75 1.516,76 33.398,77 13.479,78 111.977,79 10.602,80 0.958,81 1.556,82 35.962,83 13.494,84 187.942,85 10.528,86 1.387,87 1.424,88 37.417,89 12.767,90 300.858,91 9.899,92 1.099,93 1.19,94 24.34,95 9.779,96 214.572,97 7.736,98 0.588,99 1.019,100 27.412,101 9.91,102 122.704,103 9.806,105 86,106 47,107 0.328,108 0.659,109 0.774,110 0.857,111 0.857,112 0.857,113 3.375,114 1.216,115 -3.89,116 -3.85,117 -3.65,120 40.9,121 2,125 1,140 6,141 3,142 3,147 1,148 1,152 1,165 7,167 2,168 2,171 2,173 1,176 10,182 8,187 4,190 10,195 11,198 2,200 3,203 3,207 10,212 2,215 3,219 6,220 6,223 1,225 2,227 6,231 4,239 8,244 2,245 6,253 7,258 6,266 6,270 1134,271 17.375,272 17.375,273 17.375,274 17.375,275 17.375,276 14.708,277 12.784,278 9.586,279 17.938,280 14.761,281 14.761,282 14.761,283 14.761,284 14.761,285 10.531,286 7.727,287 4.536,288 15.813,289 3.532,290 1.581,291 0.904,292 0.415,293 0.415,294 0.415,295 4.04,301 1,302 1,303 591,304 4.472,306 61.689,307 178.551,310 120.579,313 1.408,314 64.226,317 1,318 1,319 1,320 0.4,322 0.83,323 1,324 0.75,325 63,326 283,327 4.952,328 5.19,329 7.45,330 4.413,331 3.51,332 4.87,333 2.95,334 13.119,335 3.166,336 4.836,337 4.713,338 7.245,339 4.247,340 3.364,341 4.709,342 1.277,343 12.24,344 2.997,345 4.441,346 3.545,347 6.494,348 3.903,349 2.944,350 4.311,352 10.063,353 2.801,354 4.113,355 3.124,356 5.933,357 3.71,358 2.705,359 3.684,361 8.25,362 2.666,363 3.683,364 2.873,365 5.575,366 3.238,367 2.286,368 3.088,370 7.14,371 2.157,372 3.601,373 2.703,374 5.243,375 3.116,376 2.163,377 2.99,379 6.135,380 2.045,381 3.287,382 2.053,383 4.954,384 2.782,385 1.845,386 2.623,388 5.591,389 1.697,390 2.878,391 1.975,392 4.676,393 2.335,394 1.389,395 2.023,397 4.363,398 1.311,399 2.757,400 1.894,401 4.148,402 2.24,403 1.228,404 1.756,406 3.304,407 1.214,408 2.66,409 1.433,410 3.786,411 2.135,412 1.152,413 1.712,415 2.868,416 1.126,417 2.187,418 0.963,419 3.578,420 1.669,421 0.758,422 1.057,424 1.899,425 0.673,426 1.425,427 0.759,428 3.222,429 1.059,430 0.103,431 0.127,433 0.286,434 0.097,435 1.17,436 0.56,437 2.882,438 0.741,439 -0.148,440 -0.185,442 -0.355,443 -0.127,444 1,445 0.367,446 2.68,447 0.211,448 -0.763,449 -0.942,451 -2,452 -0.673,453 1,454 0.146,455 2.39,456 0.2,457 -0.778,458 -1.012,460 -2.041,461 -0.716,462 13.852,463 0.495,464 1.274,465 0.046,466 38.75,467 1.384,468 22,469 0.786,470 16.75,471 0.598,472 24.222,473 0.865,474 30.548,475 0.694,476 32.87,477 1.174,478 7.151,479 0.255,480 5.747,481 0.205,482 0.249,483 0.12,484 0.325,488 1,490 0.432,491 0.986,492 0.817,493 1.145,494 0.631,495 0.859,496 0.548,497 0.873,498 0.808,499 0.876,500 0.53,501 0.76,502 1.171,503 1.041,504 1.032,505 0.998,506 1.161,507 0.963,508 0.96,509 1.215,510 1.397,511 1.388,512 0.917,513 1.259,514 1.172,515 1.02,516 1.068,517 1.12,518 1.232,519 0.972,520 1.132,521 0.906,522 1.08,523 0.973,524 1.11,525 0.927,526 1.17,527 0.66,528 1.021,529 0.817,530 1.257,531 0.959,532 0.585,533 0.913,534 1.146,535 1.17,536 0.539,537 1.047,538 9.5,539 0.229,540 4.889,541 3.319,542 2.654,543 1.823,544 0.847,545 0.581,546 0.377,547 0.261,548 8291,549 33511,550 1.916,551 36.4,552 3,553 9,556 1,557 3,560 1.715,561 1.697,562 3.277,563 -0.217,565 1,569 84.792,570 1.927,571 3.879,572 4.555,573 5.044,574 5.044,575 5.044,576 2.717,577 4.253,578 4.781,579 3.441,580 1300.56,581 8.337,582 16514.7,584 1,586 1,587 240.215,588 1.841,589 4.66,590 0.317,591 0.012,592 0.104,593 0.069,594 0.056,595 0.042,596 0.02,597 0.019,598 0.012,599 0.011,600 0.663,601 0.33,602 1,603 0.97,604 138.146,605 0.092,606 -0.009,607 0.195,608 -0.041,609 -0.12,610 0.062,611 0.187,612 0.061,613 0.134,614 0.129,615 0.21,616 0.175,617 -0.224,618 -0.032,619 -0.064,620 0.017,621 -0.2,622 -0.06,623 -0.115,624 -0.235,625 -0.264,626 -0.263,627 -0.068,628 -0.306,629 -0.153,630 -0.105,631 0.042,632 -0.064,633 -0.185,634 0.014,635 0.105,636 0.039,637 -0.043,638 0.028,639 0.182,640 0.014,641 -0.058,642 0.255,643 -0.065,644 0.131,645 -0.115,646 -0.012,647 0.154,648 -0.055,649 -0.103,650 -0.139,651 0.207,652 0.018,653 5.055,654 5.919,655 0.536,656 23.036,657 1.035,658 1.113,659 2.659,660 7.07,661 0.733,662 3.434,663 3.871,664 4.094,665 4.369,666 4.605,667 4.718,668 4.736,669 4.82,670 4.691,671 4.771,672 5.981,673 0.699,674 441.56,675 3.434,676 5.043,677 5.905,678 6.836,679 7.725,680 8.655,681 9.554,682 10.484,683 11.388,684 12.318,685 2.3,690 1,698 2,699 6,703 1,704 6,706 16,708 1,719 1,720 44,723 21,724 2,725 30,727 46,728 18,729 14,730 6,731 6,732 1,735 3,736 4,741 2,749 15,750 3,754 5,757 2,759 5,763 1,765 1,766 1,768 16,769 7,770 1,771 10,772 3,775 1,780 0.667,781 5,788 1,789 2,792 1,813 2,815 3,817 3,819 1,821 28,823 1,824 1,829 1,837 1,839 1,840 11.4,843 5,847 16.5,848 8.976,849 5.764,850 2.327,851 3.356,852 1.459,853 1.006,854 5.281,855 10.669,856 3.784,857 4.541,858 5.062,859 5.686,860 6.251,861 6.638,862 6.932,863 7.272,864 7.258,865 7.536,866 0.857,867 48,868 11.084,870 5.591,871 8.435,872 19.039,874 16.274,877 2.935,878 82.167,881 1,882 176.567,883 153.081,884 16.405,886 113.771,887 14.96,888 43.131,889 109.95,890 290.337,891 31.365,892 24.841,894 68.711,895 135.309,896 22.373,897 15.706,898 207.844,900 176.567,901 126.355,902 128.731,903 43.131,905 191.527,906 113.771,909 17.65,910 92.3,911 28.258,912 31.278,913 191.527,914 130.176,915 153.081,917 11.853,918 176.567,919 59.53,920 81.698,921 16.405,922 128.731,923 176.567,924 145.136,925 153.081,927 0.619,928 0.344,929 0.174,930 0.102,931 24,932 13,933 0.109,934 5,935 1,936 1.133,937 3.629,938 251.565,939 0.133,940 15,941 130.606,942 1,944 2,945 20.752,946 7.126,947 4.087,948 1.065,949 145.136,950 7.719,954 0.959,955 -0.457,957 16.405,958 474.784,959 43,962 -7.948,964 61.611,968 -0.346,969 45.549,970 48.967,971 0.353,972 0.71,973 0.834,974 0.924,975 0.924,976 0.924,977 5.075,978 1.389,979 6.014,980 5.591,981 4.554,982 5.228,983 3.076,984 6.956,985 4.421,986 6.405,987 1.228,988 7.677,989 4.363,990 4.635,991 5.629,993 8.35,994 4.382,995 7.825,996 1.152,997 9.452,998 3.304,999 6.368,1000 7.721,1001 5.061,1002 11.383,1003 6.07,1004 9.282,1005 0.758,1006 11.29,1007 2.868,1008 7.155,1009 8.832,1011 13.509,1012 6.716,1013 10.768,1014 0.103,1015 13.168,1016 1.899,1017 8.52,1018 10.549,1019 7.191,1020 16.192,1021 8.023,1022 12.274,1023 -0.148,1024 15.072,1025 0.286,1026 9.574,1027 11.926,1029 18.58,1030 8.936,1031 13.796,1032 -0.763,1033 16.996,1034 -0.355,1035 10.832,1036 13.53,1037 9.349,1038 21.166,1039 10.116,1040 3.51,1041 -0.778,1042 18.934,1043 -2,1044 11.989,1045 15.012,1047 23.651,1048 11.141,1049 3.364,1050 13.119,1051 20.884,1052 -2.041,1053 13.218,1054 16.581,1055 11.511,1056 26.209,1057 12.277,1058 2.944,1059 12.24,1060 22.842,1061 4.87,1062 14.417,1063 18.106,1065 28.733,1066 13.352,1067 2.705,1068 10.063,1069 24.807,1070 4.709,1071 15.643,1072 19.666,1073 13.675,1074 31.285,1075 14.474,1076 2.286,1077 8.25,1078 26.778,1079 4.311,1080 16.861,1081 21.21,1083 33.826,1084 15.573,1085 2.163,1086 7.14,1087 28.754,1088 3.684,1089 18.09,1090 22.769,1091 15.838,1092 36.378,1093 16.693,1094 1.845,1095 6.135,1096 30.733,1097 3.088,1098 19.317,1099 24.323,1101 38.927,1102 17.805,1103 8309,1104 16867,1105 18.205,1106 32.25,1107 47.255,1108 50.986,1109 49.407,1110 47.053,1111 46.895,1112 65.902,1113 8.455,1114 150.514,1115 43.905,1116 5.804,1117 7.19,1118 6.751,1119 5.589,1120 5.51,1121 7.87,1122 5.9,1123 21.248,1124 5.166,1125 19.954,1126 1.575,1127 1.7,1128 1.647,1129 1.568,1130 1.563,1131 2.197,1132 0.282,1133 5.017,1134 1.463,1135 4.182,1136 4.16,1137 4.808,1138 4.22,1139 8.201,1140 4.128,1141 4.063,1142 4.042,1143 4.72,1144 4.085,1145 7.72,1146 3.995,1147 3.799,1148 3.754,1149 4.171,1150 3.76,1151 7.712,1152 3.652,1153 3.703,1154 3.69,1155 3.772,1156 3.635,1157 7.428,1158 3.574,1159 3.381,1160 3.428,1161 3.47,1162 3.246,1163 6.999,1164 3.23,1165 3.299,1166 3.337,1167 3.263,1168 3.154,1169 6.999,1170 3.128,1171 2.995,1172 3.027,1173 3.087,1174 2.961,1175 4.772,1176 2.879,1177 2.799,1178 2.881,1179 2.623,1180 2.651,1181 4.65,1182 2.628,1183 0.165,1184 0.173,1185 0.248,1186 0.147,1187 0.117,1188 4.952,1189 0.162,1190 5.19,1191 0.098,1192 7.45,1193 0.437,1194 4.413,1195 0.106,1196 3.51,1197 4.87,1198 2.95,1199 13.119,1200 3.166,1201 2.001,1202 2.016,1203 1.998,1204 2.061,1205 1.252,1206 2.1,1207 1.923,1208 1.909,1209 1.988,1210 1.984,1211 1.164,1212 1.994,1213 1.728,1214 1.785,1215 1.682,1216 1.782,1217 0.989,1218 1.858,1219 1.596,1220 1.613,1221 1.661,1222 1.734,1223 0.868,1224 1.782,1225 1.355,1226 1.312,1227 1.571,1228 1.554,1229 0.676,1230 1.587,1231 1.241,1232 1.209,1233 1.207,1234 1.448,1235 0.567,1236 1.496,1237 0.938,1238 0.935,1239 1.126,1240 1.067,1241 0.224,1242 1.106,1243 0.821,1244 0.747,1245 1.091,1246 1.034,1247 0.205,1248 1.083,1249 4.111,1251 5.517,1252 2.398,1253 7.096,1254 4.844,1255 8.753,1256 7.05,1257 10.454,1259 3.769,1261 13.502,1266 2.291,1273 30.754,1274 84.792,1275 170.666,1276 200.441,1277 221.95,1278 221.95,1279 221.95,1280 102.295,1281 7.313,1282 97.38,1283 142.38,1284 17,1285 12.825,1286 4.459,1287 3.807,1288 49.498,1289 101,1290 98,1291 0.246,1292 199.2,1293 345.61,1294 477.807,1295 13435,1296 2.3,1297 20.853,1298 0.745,1299 0.627,1300 20.836,1301 17.558,1302 12.898,1303 0.43,1304 0.405,1305 8.223,1306 10.572,1307 7.534,1308 6.253,1309 14.628,1310 12.156,1311 13.786,1312 0.293,1313 0.239,1314 16.453,1315 11.214,1316 10.058,1317 0.17,1318 0.145,1319 12.697,1320 8.526,1321 8.298,1322 0.106,1323 0.083,1324 11.057,1325 6.502,1326 6.694,1327 0.068,1328 0.051,1329 9.207,1330 5.007,1331 0.377,1332 102.447,1333 0.234,1334 26.161,1335 0.705,1336 154,1337 601.703,1338 271.005,1339 612.365,1340 797.28,1341 554,1342 183,1343 496.541,1344 312.362,1345 582.532,1346 845.27,1347 540,1348 6}
{0 CHEMBL338396,1 1.874,2 12.393,3 3.424,4 11.72,5 107.694,6 8.672,7 0.414,8 3.989,9 4.088,10 3.81,11 3.521,12 5.17,13 3.492,14 4.477,15 4.613,16 4.065,17 3.85,18 5.899,19 3.801,20 4.673,21 4.849,22 4.209,23 3.99,24 5.858,25 3.899,26 4.732,27 4.904,28 4.206,29 3.939,30 6.091,31 3.871,32 4.676,33 4.849,34 3.956,35 3.862,36 5.888,37 3.803,38 4.638,39 4.803,40 3.956,41 3.89,42 5.869,43 3.808,44 4.722,45 4.932,46 3.876,47 3.902,48 5.835,49 3.792,50 4.675,51 4.886,52 3.852,53 3.811,54 5.84,55 3.713,56 0.189,57 0.715,58 11.311,59 4.783,60 27.409,61 5.165,62 0.605,63 1.015,64 17.724,65 7.77,66 76.334,67 8.961,68 0.543,69 1.184,70 29.967,71 9.823,72 56.832,73 10.897,74 0.831,75 1.152,76 35.051,77 10.421,78 83.719,79 11.517,80 0.726,81 1.089,82 27.344,83 9.002,84 88.545,85 9.854,86 0.716,87 1.105,88 25.528,89 9.094,90 74.474,91 10.275,92 0.662,93 1.15,94 34.371,95 10.338,96 87.116,97 12.139,98 0.796,99 1.067,100 29.122,101 9.007,102 99.83,103 10.87,105 47,106 39,107 0.317,108 0.639,109 0.776,110 0.858,111 0.872,112 0.872,113 3.374,114 1.042,115 -4.26,116 -4.2,117 -3.97,120 36.7,122 3,125 1,140 7,141 1,142 4,149 1,154 1,158 2,159 2,160 2,161 1,165 8,167 3,168 5,170 2,171 2,172 1,175 2,176 10,180 1,182 7,184 2,185 2,190 7,194 1,195 19,203 4,207 9,212 2,215 3,217 2,219 2,220 9,225 2,227 8,229 2,231 5,236 2,239 7,242 2,244 2,245 6,250 2,253 8,256 2,257 2,258 2,263 4,266 6,268 4,270 1414,271 18.308,272 18.308,273 18.308,274 18.308,275 18.308,276 15.949,277 21.572,278 11.114,279 18.945,280 14.287,281 14.287,282 14.287,283 14.287,284 14.287,285 10.746,286 23.775,287 5.264,288 15.283,289 3.741,290 1.84,291 1.029,292 0.546,293 0.464,294 0.464,295 4.036,298 1,301 1,302 1,303 703,304 4.416,307 212.514,313 2.036,314 39.973,317 1,318 1,319 0.83,320 0.6,322 1,323 1,324 0.78,325 62.333,326 347,327 4.888,328 5.26,329 7.4,330 4.346,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.186,337 3.244,338 5.823,339 3.77,340 2.802,341 3.831,342 1.072,343 8.361,344 2.709,345 3.834,346 2.976,347 5.563,348 3.308,349 2.38,350 3.385,351 0.86,352 7.129,353 2.176,354 3.701,355 2.808,356 4.997,357 3.155,358 2.237,359 2.982,360 0.782,361 5.951,362 2.06,363 3.377,364 2.532,365 4.942,366 3.066,367 2.105,368 2.619,370 5.688,371 2.008,372 3.297,373 2.476,374 4.659,375 2.877,376 1.947,377 2.548,379 5.183,380 1.795,381 3.027,382 2.206,383 4.103,384 2.616,385 1.648,386 2.044,388 3.404,389 1.593,390 2.864,391 1.942,392 3.731,393 2.354,394 1.414,395 2.022,397 3.208,398 1.27,399 2.659,400 1.556,401 3.603,402 2.143,403 1.156,404 1.712,406 2.843,407 1.13,408 2.256,409 1.242,410 3.192,411 1.993,412 1.025,413 1.182,415 2.134,416 0.989,417 1.584,418 1.004,419 3.163,420 1.31,421 0.442,422 0.488,424 0.666,425 0.377,426 1.382,427 0.779,428 2.817,429 1.266,430 0.285,431 0.304,433 0.602,434 0.281,435 1.196,436 0.549,437 2.663,438 0.831,439 -0.086,440 -0.104,442 -0.245,443 -0.071,444 1.096,445 0.29,446 2.611,447 0.585,448 -0.259,449 -0.333,451 -0.624,452 -0.185,453 1,454 0.019,455 2.194,456 0.552,457 -0.39,458 -0.48,460 -0.929,461 -0.377,462 13.481,463 0.481,464 0.772,465 0.028,466 36.25,467 1.295,468 19,469 0.679,470 17.25,471 0.616,472 22.377,473 0.799,474 31.519,475 0.643,476 29.264,477 1.045,478 7.338,479 0.262,480 5.976,481 0.213,482 0.199,483 0.062,484 0.223,490 0.687,491 1.201,492 0.717,493 1.199,494 0.831,495 0.929,496 0.708,497 0.954,498 0.679,499 0.894,500 0.489,501 0.921,502 1.047,503 0.93,504 0.919,505 0.967,506 0.864,507 0.955,508 1.008,509 1.025,510 1.132,511 1.229,512 0.999,513 1.003,514 1.54,515 0.904,516 0.956,517 0.914,518 1.583,519 0.952,520 1.123,521 1.042,522 1.006,523 1.05,524 0.974,525 1.07,526 1.13,527 0.981,528 1.156,529 1.078,530 1.146,531 0.999,532 1.123,533 0.878,534 0.91,535 0.862,536 1.372,537 0.959,538 7,539 0.169,540 2.667,541 2.563,542 1.293,543 1,544 0.55,545 0.396,546 0.3,547 0.157,548 9401,549 34381,550 1.928,551 42.9,552 4,553 10,555 1,556 4,557 2,560 1.71,561 1.778,562 3.557,563 1.768,565 1,569 91.823,570 1.874,571 3.774,572 4.586,573 5.069,574 5.15,575 5.15,576 3.101,577 4.28,578 4.77,579 3.776,580 1427.35,581 8.299,582 19692.4,584 1,586 1,587 275.121,588 1.607,589 4.711,590 0.241,591 0.009,592 0.068,593 0.066,594 0.033,595 0.029,596 0.016,597 0.012,598 0.01,599 0.006,600 0.492,602 1,603 1.95,604 143.021,605 0.035,606 0.066,607 0.141,608 -0.064,609 -0.197,610 0.037,611 0.271,612 0.113,613 0.109,614 0.084,615 0.36,616 0.033,617 -0.108,618 0.129,619 0.091,620 0.093,621 -0.061,622 0.027,623 0.117,624 -0.044,625 0.034,626 -0.123,627 0.154,628 -0.004,629 -0.306,630 0.053,631 -0.096,632 0.051,633 -0.276,634 -0.008,635 -0.062,636 -0.031,637 -0.125,638 -0.031,639 -0.029,640 -0.104,641 -0.172,642 -0.029,643 -0.121,644 -0.027,645 -0.124,646 0.018,647 -0.071,648 0.047,649 -0.016,650 0.068,651 -0.19,652 0.015,653 4.99,654 5.523,655 0.429,656 31.75,657 1.022,658 1.131,659 3.035,660 9.209,661 0.678,662 3.401,663 3.689,664 3.829,665 4.043,666 4.143,667 4.174,668 4.205,669 4.248,670 4.234,671 4.22,672 7.309,673 0.647,674 424.95,675 3.401,676 4.92,677 5.72,678 6.583,679 7.407,680 8.281,681 9.116,682 9.998,683 10.841,684 11.729,685 8.2,686 2,694 2,699 7,704 5,706 12,718 1,719 1,720 49,723 16,724 2,725 29,727 50,728 18,729 12,730 5,731 7,732 2,735 2,736 2,737 1,739 1,748 3,749 14,750 4,754 4,757 1,759 2,761 1,762 2,763 1,765 1,768 21,769 8,770 4,771 10,772 2,775 4,780 1,781 4,789 2,797 1,807 2,813 2,815 1,817 1,818 1,821 28,822 2,826 1,828 3,830 2,839 1,840 8.2,843 2,845 2,847 15.75,848 8.71,849 6.319,850 2.588,851 2.664,852 1.391,853 0.951,854 8.263,855 9.48,856 3.689,857 4.277,858 4.687,859 5.214,860 5.603,861 5.737,862 5.934,863 6.154,864 6.286,865 6.588,866 1,867 39,868 10.591,870 4.628,871 8.09,872 18.978,874 14.733,877 2.59,878 72.528,881 1,882 200.109,883 122.241,884 99.12,885 39.149,886 63.858,888 7.75,889 114.491,890 303.116,891 99.12,892 10.883,893 73.398,894 74.084,895 65.131,896 71.595,897 1.899,898 188.338,899 39.149,900 200.109,901 213.611,902 63.858,903 46.898,905 200.109,906 63.858,909 106.724,910 97.84,911 55.946,913 200.109,914 162.979,915 161.389,917 7.75,918 200.109,919 28.226,920 86.264,922 202.127,923 200.109,924 162.979,925 161.389,927 0.57,928 0.307,929 0.16,930 0.081,931 15,932 8,933 0.18,934 9,936 1,937 3.923,938 219.185,940 12,941 130.606,944 1,945 22.175,946 10.434,947 7.098,949 162.979,950 11.03,955 1.459,957 65.794,958 524.477,959 39,962 -4.073,964 25.046,966 1.596,967 7.226,968 -0.106,969 50.069,970 55.432,971 0.334,972 0.672,973 0.817,974 0.903,975 0.917,976 0.917,977 4.905,978 1.414,979 5.727,980 3.404,981 4.369,982 4.963,983 3.316,984 6.532,985 4.236,986 6.141,987 1.156,988 7.29,989 3.208,990 4.111,991 5.027,992 0.623,993 7.727,994 3.832,995 7.481,996 1.025,997 8.975,998 2.843,999 5.999,1000 7.245,1001 5.516,1002 10.757,1003 5.715,1004 8.866,1005 0.442,1006 10.741,1007 2.134,1008 6.553,1009 8.121,1010 0.819,1011 12.841,1012 6.094,1013 10.288,1014 0.285,1015 12.565,1016 0.666,1017 7.984,1018 9.895,1019 7.902,1020 15.52,1021 7.513,1022 11.739,1023 -0.086,1024 14.432,1025 0.602,1026 8.916,1027 11.141,1028 0.94,1029 17.92,1030 8.272,1031 13.214,1032 -0.259,1033 16.331,1034 -0.245,1035 10.193,1036 12.762,1037 10.303,1038 20.51,1039 9.504,1040 3.436,1041 -0.39,1042 18.255,1043 -0.624,1044 11.294,1045 14.176,1046 1.043,1047 23.014,1048 10.451,1049 2.802,1050 12.878,1051 20.198,1052 -0.929,1053 12.525,1054 15.744,1055 12.705,1056 25.579,1057 11.607,1058 2.38,1059 8.361,1060 22.155,1061 4.744,1062 13.698,1063 17.233,1064 1.141,1065 28.117,1066 12.643,1067 2.237,1068 7.129,1069 24.123,1070 3.831,1071 14.92,1072 18.786,1073 15.107,1074 30.676,1075 13.77,1076 2.105,1077 5.951,1078 26.099,1079 3.385,1080 16.124,1081 20.309,1082 1.24,1083 33.225,1084 14.849,1085 1.947,1086 5.688,1087 28.082,1088 2.982,1089 17.347,1090 21.859,1091 17.51,1092 35.781,1093 15.968,1094 1.648,1095 5.183,1096 30.069,1097 2.619,1098 18.565,1099 23.398,1100 1.342,1101 38.334,1102 17.067,1103 9618,1104 18609,1105 18.375,1106 33.199,1107 41.831,1108 44.641,1109 43.433,1110 41.979,1111 41.755,1112 55.722,1113 12.076,1114 116.095,1115 38.961,1116 5.743,1117 7.26,1118 7.227,1119 5.421,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 17.183,1126 1.442,1127 1.539,1128 1.498,1129 1.448,1130 1.44,1131 1.921,1132 0.416,1133 4.003,1134 1.343,1135 4.08,1136 4.049,1137 4.737,1138 4.058,1139 7.721,1140 3.984,1141 3.909,1142 3.926,1143 3.889,1144 3.848,1145 6.999,1146 3.841,1147 3.684,1148 3.753,1149 3.85,1150 3.535,1151 5.354,1152 3.509,1153 3.583,1154 3.581,1155 3.59,1156 3.472,1157 4.92,1158 3.415,1159 3.476,1160 3.522,1161 3.354,1162 3.197,1163 4.87,1164 3.236,1165 3.253,1166 3.32,1167 3.285,1168 2.993,1169 4.672,1170 3.005,1171 3.096,1172 3.18,1173 3.09,1174 2.888,1175 4.659,1176 2.886,1177 2.879,1178 2.922,1179 2.948,1180 2.799,1181 4.46,1182 2.77,1183 0.169,1184 0.181,1185 0.255,1186 0.15,1187 0.118,1188 4.888,1189 0.164,1190 5.26,1191 0.115,1192 7.4,1193 0.444,1194 4.346,1195 0.107,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.958,1202 1.972,1203 2.039,1204 2.041,1205 1.3,1206 2.06,1207 1.893,1208 1.875,1209 1.955,1210 1.967,1211 1.137,1212 1.992,1213 1.632,1214 1.576,1215 1.831,1216 1.844,1217 1.005,1218 1.834,1219 1.391,1220 1.434,1221 1.58,1222 1.698,1223 0.609,1224 1.681,1225 1.356,1226 1.279,1227 1.544,1228 1.558,1229 0.556,1230 1.585,1231 1.2,1232 1.127,1233 1.382,1234 1.484,1235 0.473,1236 1.513,1237 1.074,1238 0.996,1239 1.149,1240 1.318,1241 0.168,1242 1.342,1243 0.868,1244 0.824,1245 1.059,1246 1.057,1247 0.148,1248 1.064,1249 4.078,1251 5.371,1253 6.847,1255 8.418,1257 10.044,1259 1.493,1260 5.973,1263 10.355,1265 2.031,1267 10.497,1273 31.701,1274 91.823,1275 184.94,1276 224.714,1277 248.366,1278 252.366,1279 252.366,1280 76.949,1281 6.817,1282 129.36,1283 137.74,1284 12,1285 12.269,1286 4.087,1287 3.459,1288 62.053,1289 119,1290 142,1291 0.249,1292 207.853,1293 365.2,1294 498.92,1295 7841,1296 2,1297 20.571,1298 0.735,1299 0.599,1300 21.321,1301 16.781,1302 13.314,1303 0.459,1304 0.347,1305 8.299,1306 11.686,1307 7.951,1308 6.662,1309 14.423,1310 10.076,1311 12.16,1312 0.312,1313 0.195,1314 13.812,1315 7.622,1316 8.651,1317 0.192,1318 0.118,1319 10.162,1320 5.289,1321 7.15,1322 0.128,1323 0.067,1324 8.878,1325 3.733,1326 5.059,1327 0.082,1328 0.037,1329 6.085,1330 2.268,1331 0.397,1332 95.677,1333 0.233,1334 27.224,1335 0.662,1336 136,1337 495.921,1338 205.34,1339 523.086,1340 683.96,1341 478,1342 152,1343 443.232,1344 230.2,1345 494.789,1346 707.41,1347 459,1348 4.863}
{0 CHEMBL340276,1 2.041,2 13.323,3 4.518,4 20.411,5 105.779,6 9.21,7 0.375,8 4.04,9 4.129,10 3.88,11 3.487,12 5.313,13 3.515,14 4.56,15 4.677,16 4.231,17 3.788,18 6.451,19 3.814,20 4.665,21 4.818,22 4.166,23 3.896,24 5.955,25 3.881,26 4.754,27 4.903,28 4.259,29 3.891,30 6.237,31 3.9,32 4.763,33 4.889,34 4.31,35 3.871,36 6.222,37 3.916,38 4.812,39 4.958,40 4.25,41 3.85,42 6.74,43 3.881,44 4.72,45 4.929,46 3.848,47 3.805,48 5.961,49 3.758,50 4.633,51 4.83,52 3.887,53 3.727,54 5.928,55 3.704,56 0.365,57 0.912,58 9.729,59 4.928,60 61.391,61 4.521,62 1.609,63 1.518,64 17.433,65 7.738,66 210.636,67 7.879,68 0.977,69 1.264,70 22.217,71 8.737,72 97.627,73 8.811,74 1.359,75 1.391,76 28.667,77 9.763,78 131.618,79 9.749,80 1.398,81 1.667,82 28.581,83 9.793,84 193.72,85 7.803,86 2.202,87 1.487,88 29.945,89 9.629,90 332.794,91 9.48,92 1.276,93 1.22,94 28.108,95 8.873,96 175.615,97 10.331,98 1.126,99 1.253,100 24.971,101 8.339,102 118.123,103 9.677,105 78,106 45,107 0.344,108 0.652,109 0.786,110 0.852,111 0.866,112 0.866,113 3.471,114 0.939,115 -3.64,116 -3.61,117 -3.44,120 36,121 1,122 1,126 1,133 1,140 7,141 1,142 4,149 1,154 1,158 2,159 2,160 2,161 1,165 6,167 3,168 7,170 2,171 2,172 1,175 2,176 7,180 1,182 8,184 2,185 2,190 2,194 5,195 15,203 3,206 1,207 5,212 2,215 3,217 2,219 2,220 9,227 7,231 5,233 2,234 2,239 6,244 2,245 9,253 5,257 1,258 3,263 4,266 3,268 4,270 1838,271 19.54,272 19.54,273 19.54,274 19.54,275 19.54,276 17.181,277 23.304,278 11.738,279 20.453,280 15.875,281 15.875,282 15.875,283 15.875,284 15.875,285 12.366,286 26.578,287 5.69,288 17.49,289 3.603,290 1.776,291 0.983,292 0.59,293 0.51,294 0.51,295 4.131,301 1,302 1,303 832,304 5.05,307 235.682,313 2.268,314 63.736,317 1,318 0.67,319 0.83,320 0.8,322 0.83,323 0.5,324 0.66,325 73.5,326 413,327 4.894,328 5.259,329 7.412,330 4.363,331 3.453,332 4.747,333 4.032,334 12.957,335 3.12,336 4.194,337 4.436,338 6.459,339 3.871,340 3.111,341 3.818,342 3.324,343 10.192,344 2.678,345 4.137,346 3.193,347 5.795,348 3.731,349 2.774,350 3.471,351 1.072,352 8.226,353 2.418,354 3.764,355 2.933,356 5.589,357 3.302,358 2.357,359 3.012,360 0.86,361 7.372,362 2.131,363 3.701,364 2.807,365 4.984,366 3.153,367 2.236,368 2.982,369 0.782,370 5.869,371 2.05,372 3.347,373 2.509,374 4.736,375 2.984,376 2.054,377 2.589,378 0.394,379 5.226,380 1.906,381 3.247,382 2.312,383 4.659,384 2.845,385 1.883,386 2.497,388 5.183,389 1.794,390 3.027,391 2.187,392 4.223,393 2.604,394 1.645,395 2.043,397 3.434,398 1.572,399 2.867,400 1.882,401 3.73,402 2.402,403 1.432,404 2.021,406 3.394,407 1.379,408 2.659,409 1.541,410 3.632,411 2.146,412 1.156,413 1.713,415 2.848,416 1.141,417 2.254,418 1.445,419 3.191,420 1.952,421 1.023,422 1.181,424 2.13,425 0.943,426 1.382,427 0.791,428 3.168,429 1.221,430 0.288,431 0.305,433 0.625,434 0.267,435 1.26,436 0.715,437 3.072,438 0.923,439 0.041,440 0.048,442 0.115,443 0.036,444 1.201,445 0.51,446 2.653,447 0.791,448 -0.142,449 -0.18,451 -0.434,452 -0.131,453 1,454 0.51,455 2.62,456 0.618,457 -0.353,458 -0.444,460 -0.874,461 -0.337,462 13.957,463 0.45,464 1.126,465 0.036,466 39.25,467 1.266,468 19.5,469 0.629,470 19.75,471 0.637,472 24.679,473 0.796,474 36.443,475 0.729,476 36.675,477 1.183,478 8.286,479 0.267,480 6.174,481 0.199,482 0.202,483 0.096,484 0.215,489 3,490 0.683,491 1.052,492 0.736,493 1.33,494 0.749,495 0.964,496 0.41,497 0.614,498 0.626,499 0.898,500 0.317,501 0.927,502 0.856,503 0.731,504 0.982,505 1.084,506 0.605,507 1.015,508 0.869,509 0.89,510 1.062,511 1.161,512 0.766,513 0.932,514 1.419,515 1.198,516 1.139,517 1.239,518 1.477,519 1.037,520 0.883,521 1.089,522 1.1,523 1.086,524 0.927,525 1.052,526 0.886,527 0.72,528 0.988,529 0.882,530 0.88,531 0.994,532 0.81,533 0.928,534 0.872,535 1,536 0.683,537 0.995,538 9.5,539 0.227,540 2.889,541 2.938,542 1.773,543 1.569,544 0.629,545 0.521,546 0.362,547 0.321,548 12208,549 53914,550 1.892,551 38,552 3,553 9,555 1,556 4,557 2,560 1.736,561 1.722,562 3.624,563 1.76,569 102.059,570 2.041,571 3.868,572 4.661,573 5.054,574 5.134,575 5.134,576 3.112,577 4.543,578 4.916,579 3.882,580 1805.06,581 8.592,582 26805.8,587 282.193,588 1.725,589 4.835,590 0.297,591 0.008,592 0.064,593 0.07,594 0.039,595 0.036,596 0.014,597 0.016,598 0.011,599 0.011,600 0.565,601 0.17,602 0.75,603 1.973,604 163.659,605 -0.039,606 -0.027,607 0.154,608 -0.105,609 -0.182,610 0.023,611 0.574,612 0.421,613 0.219,614 0.12,615 0.563,616 0.015,617 -0.132,618 0.031,619 -0.011,620 -0.009,621 -0.057,622 -0.013,623 0.023,624 -0.086,625 0.053,626 -0.024,627 0.046,628 0.081,629 -0.312,630 -0.19,631 -0.069,632 -0.11,633 -0.324,634 -0.083,635 0.319,636 0.065,637 -0.081,638 -0.038,639 0.388,640 -0.1,641 -0.099,642 0.018,643 -0.059,644 0.054,645 -0.111,646 0.053,647 -0.015,648 -0.162,649 0.06,650 -0.037,651 0.006,652 0.059,653 6.319,654 5.558,655 0.387,656 38.098,657 1.052,658 1.154,659 2.41,660 5.808,661 0.652,662 3.497,663 3.829,664 3.892,665 4.159,666 4.29,667 4.369,668 4.277,669 4.382,670 4.344,671 4.466,672 7.843,673 0.655,674 460.48,675 3.497,676 5.043,677 5.832,678 6.718,679 7.533,680 8.427,681 9.257,682 10.157,683 10.996,684 11.9,685 8,686 2,694 2,699 7,704 5,706 12,718 2,720 50,723 16,724 2,725 32,727 51,728 18,729 12,730 5,731 7,732 2,735 2,736 2,739 1,741 1,748 1,749 14,750 4,754 4,757 1,759 2,761 1,762 2,763 1,765 1,766 3,768 19,769 12,770 4,771 13,772 1,775 4,780 1,781 5,789 2,797 1,807 2,813 2,815 1,817 1,819 3,821 31,822 2,826 1,828 2,830 3,835 1,839 3,840 10,843 2,845 3,847 18,848 8.912,849 6.694,850 2.535,851 2.823,852 1.399,853 0.944,854 8.42,855 9.902,856 3.761,857 4.357,858 4.714,859 5.269,860 5.678,861 5.858,862 5.975,863 6.263,864 6.374,865 6.776,866 0.889,867 42,868 12.893,870 6.56,871 8.586,872 20.158,874 15.499,877 3.086,878 95.667,881 1,882 176.567,883 131.266,884 99.12,886 74.858,887 44.88,888 7.75,889 123.516,890 251.425,891 144.001,892 8.825,893 72.921,894 74.084,895 65.131,896 129.218,897 1.899,898 164.795,899 9.817,900 176.567,901 222.637,902 119.738,903 7.75,905 176.567,906 74.858,907 44.88,908 9.817,909 115.073,910 88.699,911 16.797,913 221.447,914 173.979,915 131.266,917 7.75,918 186.384,919 29.493,920 84.206,922 218.859,923 176.567,924 218.859,925 131.266,927 0.584,928 0.284,929 0.153,930 0.084,931 18,932 10,933 0.176,934 9,936 1,937 4.097,938 255.56,940 12,941 144.825,944 1,945 24.631,946 10.597,947 8.554,949 218.859,950 8.553,955 -0.95,957 65.794,958 526.692,959 42,962 -4.631,964 25.115,966 1.412,967 7.004,968 -0.193,969 52.611,970 57.716,971 0.362,972 0.685,973 0.826,974 0.895,975 0.91,976 0.91,977 5.011,978 1.645,979 5.889,980 5.183,981 4.511,982 5.043,983 3.922,984 6.725,985 4.33,986 6.268,987 1.432,988 7.473,989 3.434,990 4.443,991 5.173,992 4.057,993 8.038,994 4.055,995 7.622,996 1.156,997 9.178,998 3.394,999 6.213,1000 7.311,1001 6.268,1002 10.995,1003 5.81,1004 9.012,1005 1.023,1006 10.958,1007 2.848,1008 6.878,1009 8.198,1010 6.954,1011 13.094,1012 6.256,1013 10.435,1014 0.288,1015 12.789,1016 2.13,1017 8.257,1018 9.942,1019 8.858,1020 15.737,1021 7.606,1022 11.883,1023 0.041,1024 14.657,1025 0.625,1026 9.235,1027 11.183,1028 9.758,1029 18.119,1030 8.398,1031 13.352,1032 -0.142,1033 16.551,1034 0.115,1035 10.487,1036 12.791,1037 11.511,1038 20.686,1039 9.595,1040 3.453,1041 -0.353,1042 18.466,1043 -0.434,1044 11.6,1045 14.2,1046 12.548,1047 23.172,1048 10.557,1049 3.111,1050 12.957,1051 20.398,1052 -0.874,1053 12.815,1054 15.763,1055 14.198,1056 25.724,1057 11.698,1058 2.774,1059 10.192,1060 22.342,1061 4.747,1062 13.985,1063 17.249,1064 15.337,1065 28.25,1066 12.744,1067 2.357,1068 8.226,1069 24.297,1070 3.818,1071 15.194,1072 18.799,1073 16.912,1074 30.802,1075 13.868,1076 2.236,1077 7.372,1078 26.26,1079 3.471,1080 16.39,1081 20.321,1082 18.126,1083 33.346,1084 14.955,1085 2.054,1086 5.869,1087 28.229,1088 3.012,1089 17.602,1090 21.87,1091 19.646,1092 35.9,1093 16.076,1094 1.883,1095 5.226,1096 30.205,1097 2.982,1098 18.811,1099 23.409,1100 20.915,1101 38.452,1102 17.184,1103 12538,1104 26703,1105 19.761,1106 32.608,1107 47.447,1108 48.876,1109 48.174,1110 47.104,1111 46.904,1112 60.853,1113 20.928,1114 135.14,1115 42.867,1116 5.762,1117 7.259,1118 7.239,1119 5.472,1120 5.453,1121 7.747,1122 7.356,1123 20.814,1124 5.12,1125 21.188,1126 1.483,1127 1.527,1128 1.505,1129 1.472,1130 1.466,1131 1.902,1132 0.654,1133 4.223,1134 1.34,1135 4.082,1136 4.049,1137 4.731,1138 4.049,1139 8.516,1140 3.978,1141 3.897,1142 3.913,1143 3.854,1144 3.828,1145 7.999,1146 3.824,1147 3.675,1148 3.75,1149 3.73,1150 3.511,1151 7.999,1152 3.474,1153 3.596,1154 3.555,1155 3.585,1156 3.451,1157 7.721,1158 3.421,1159 3.447,1160 3.528,1161 3.432,1162 3.151,1163 6.999,1164 3.193,1165 3.404,1166 3.432,1167 3.322,1168 3.006,1169 5.354,1170 3.063,1171 3.169,1172 3.242,1173 3.005,1174 2.953,1175 4.881,1176 2.991,1177 2.98,1178 3.051,1179 2.871,1180 2.746,1181 4.762,1182 2.764,1183 0.153,1184 0.164,1185 0.232,1186 0.136,1187 0.108,1188 4.894,1189 0.148,1190 5.259,1191 0.126,1192 7.412,1193 0.405,1194 4.363,1195 0.097,1196 3.453,1197 4.747,1198 4.032,1199 12.957,1200 3.12,1201 1.952,1202 1.969,1203 2.007,1204 2.042,1205 1.156,1206 2.058,1207 1.877,1208 1.859,1209 1.964,1210 1.971,1211 1.113,1212 1.978,1213 1.598,1214 1.535,1215 1.819,1216 1.843,1217 1.044,1218 1.828,1219 1.384,1220 1.441,1221 1.543,1222 1.674,1223 0.595,1224 1.657,1225 1.338,1226 1.244,1227 1.507,1228 1.564,1229 0.475,1230 1.59,1231 1.171,1232 1.103,1233 1.186,1234 1.525,1235 0.261,1236 1.424,1237 1.055,1238 1.042,1239 1.158,1240 1.388,1241 0.178,1242 1.389,1243 0.896,1244 0.84,1245 1.114,1246 1.205,1247 0.104,1248 1.2,1249 4.174,1251 5.501,1253 6.989,1255 8.564,1257 10.19,1259 1.66,1261 37.724,1263 10.239,1265 0.517,1267 14.286,1272 -5.069,1273 32.738,1274 102.059,1275 193.38,1276 233.032,1277 252.683,1278 256.683,1279 256.683,1280 111.872,1281 7.078,1282 138.59,1283 146.97,1284 12,1285 12.433,1286 4.087,1287 3.459,1288 73.19,1289 142,1290 174,1291 0.247,1292 207.111,1293 376.99,1294 497.11,1295 11375,1296 6,1297 23.071,1298 0.744,1299 0.548,1300 20.821,1301 16.982,1302 14.46,1303 0.452,1304 0.313,1305 8.487,1306 12.726,1307 8.242,1308 6.851,1309 14.135,1310 10.011,1311 14.538,1312 0.323,1313 0.166,1314 13.463,1315 7.489,1316 8.884,1317 0.185,1318 0.097,1319 9.633,1320 4.633,1321 7.802,1322 0.124,1323 0.053,1324 8.457,1325 3.318,1326 5.63,1327 0.078,1328 0.03,1329 6.193,1330 2.15,1331 0.396,1332 102.185,1333 0.225,1334 29.593,1335 0.656,1336 154,1337 789.786,1338 231.534,1339 683.961,1340 878.62,1341 624,1342 170,1343 588.551,1344 247.166,1345 605.349,1346 893.59,1347 561,1348 4.056}
{0 CHEMBL34034,1 1.943,2 10,3 4.2,4 17.643,5 79.755,6 10.011,7 0.708,8 3.625,9 3.7,10 3.458,11 3.242,12 4.994,13 3.241,14 4.038,15 4.124,16 3.855,17 3.578,18 5.471,19 3.579,20 4.28,21 4.421,22 3.824,23 3.58,24 5.813,25 3.58,26 4.26,27 4.434,28 3.74,29 3.512,30 5.781,31 3.461,32 4.079,33 4.263,34 3.712,35 3.435,36 5.431,37 3.337,38 3.87,39 4.005,40 3.515,41 3.24,42 5.293,43 3.198,44 3.756,45 3.917,46 3.334,47 3.048,48 5.169,49 3.022,50 3.635,51 3.794,52 3.077,53 2.955,54 5.063,55 2.944,56 0.209,57 0.591,58 3.507,59 2.919,60 27.862,61 2.356,62 0.274,63 0.944,64 6.688,65 4.577,66 31.815,67 4.087,68 0.649,69 1.148,70 11.112,71 5.886,72 86.167,73 5.04,74 0.778,75 1.18,76 13.091,77 6.131,78 116.537,79 5.159,80 0.489,81 0.934,82 17.318,83 6.261,84 59.764,85 5.99,86 0.359,87 0.744,88 11.332,89 4.574,90 44.793,91 3.52,92 0.353,93 0.675,94 9.925,95 3.989,96 44.575,97 3.634,98 0.272,99 0.586,100 6.768,101 3.357,102 32.578,103 3.467,105 17,106 34,107 0.359,108 0.663,109 0.789,110 0.901,111 0.913,112 0.924,113 3.146,114 0.888,115 -3.94,116 -3.89,117 -3.69,120 46.9,140 6,141 1,142 5,144 1,146 1,157 1,165 4,168 2,171 1,173 4,176 3,182 2,186 1,187 6,190 3,195 2,200 3,203 3,207 2,210 1,212 2,215 3,223 1,225 2,227 1,235 1,236 1,239 4,249 1,253 5,263 1,266 2,270 598,271 14.533,272 14.533,273 14.533,274 14.533,275 14.533,276 12.344,277 13.99,278 8.394,279 15.025,280 11.816,281 11.816,282 11.816,283 11.816,284 11.816,285 8.635,286 18.346,287 4.008,288 12.728,289 3.057,290 1.411,291 0.735,292 0.125,293 0.063,295 3.822,301 1,302 1,303 469,304 2.236,306 60.534,307 148.758,313 1.545,314 37.499,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 50,326 220,327 4.369,328 3.24,329 6.245,330 3.949,331 2.997,332 4.057,333 0.4,334 9.423,335 2.87,336 4.24,337 3.088,338 6.086,339 3.816,340 2.866,341 3.888,343 8.834,344 2.706,345 4.025,346 2.842,347 5.822,348 3.557,349 2.633,350 3.62,352 7.848,353 2.43,354 3.573,355 2.69,356 5.275,357 3.162,358 2.249,359 2.905,361 6.658,362 2.027,363 3.389,364 2.352,365 4.926,366 2.922,367 2.018,368 2.703,370 5.672,371 1.794,372 2.854,373 1.8,374 4.284,375 2.401,376 1.461,377 1.991,379 3.905,380 1.359,381 2.82,382 1.715,383 4.088,384 2.371,385 1.414,386 1.949,388 3.548,389 1.345,390 2.679,391 1.327,392 4.015,393 2.189,394 1.241,395 1.754,397 3.385,398 1.164,399 2.185,400 0.758,401 3.28,402 1.498,403 0.703,404 1.034,406 1.704,407 0.548,408 1.572,409 0.646,410 2.983,411 1.212,412 0.31,413 0.377,415 0.749,416 0.275,417 1.357,418 0.445,419 2.583,420 0.989,421 0.087,422 0.105,424 0.191,425 0.077,426 0.806,427 0.235,428 2.374,429 0.39,430 -0.511,431 -0.62,433 -1.242,434 -0.426,435 0.762,436 -0.218,437 2.359,438 0.354,439 -0.539,440 -0.656,442 -1.465,443 -0.48,444 0.678,445 -0.377,446 2.173,447 0.271,448 -0.66,449 -0.849,451 -1.759,452 -0.606,453 0.167,454 -0.904,455 1.888,456 -0.215,457 -1.121,458 -1.384,460 -3.037,461 -0.985,462 10.371,463 0.471,464 0.647,465 0.029,466 31.5,467 1.432,468 17.5,469 0.795,470 14,471 0.636,472 13.992,473 0.636,474 23.229,475 0.726,476 21.889,477 0.995,478 6.347,479 0.289,480 4.178,481 0.19,482 0.119,484 0.386,488 2,490 0.768,491 0.797,492 0.679,493 0.706,494 0.733,495 0.674,496 0.657,497 1.087,498 0.8,499 1.158,500 0.616,501 0.985,502 1.033,503 1.066,504 0.981,505 0.989,506 0.998,507 1.071,508 1.086,509 0.882,510 1.073,511 0.846,512 1.023,513 1.015,514 0.562,515 0.734,516 1.258,517 1.144,518 0.578,519 0.917,520 0.958,521 1.017,522 1.501,523 1.342,524 0.888,525 1.091,526 0.741,527 0.903,528 0.968,529 1.185,530 0.848,531 1.086,532 0.817,533 1.067,534 0.826,535 1.021,536 0.836,537 1.064,538 5.5,539 0.12,540 2.889,541 1.347,542 1.357,543 0.514,544 0.51,545 0.271,546 0.146,547 0.172,548 5129,549 20924,550 2.043,551 31.3,553 6,554 1,556 3,560 1.641,561 1.886,562 3.294,563 1.114,565 1,569 62.177,570 1.943,571 3.589,572 4.265,573 4.875,574 4.938,575 5,576 2.738,577 4.278,578 4.432,579 3.429,580 792.036,581 7.59,582 8781.68,584 1,586 1,587 160,588 1.495,589 4.376,590 0.229,591 0.01,592 0.085,593 0.042,594 0.052,595 0.021,596 0.024,597 0.016,598 0.009,599 0.012,600 0.501,601 0.5,602 1,603 0.65,604 102.013,605 -0.137,606 0.031,607 -0.02,608 0.161,609 -0.139,610 0.12,611 -0.015,612 -0.2,613 -0.017,614 -0.228,616 -0.152,617 -0.082,618 -0.088,619 -0.153,620 -0.106,621 -0.059,622 -0.182,623 -0.098,624 0.09,625 -0.067,626 0.123,627 -0.049,628 -0.037,629 0.15,630 0.109,631 0.153,632 0.089,633 0.095,634 0.206,635 -0.126,636 -0.079,637 -0.251,638 -0.175,639 -0.091,640 -0.132,641 0.11,642 -0.002,643 0.077,644 -0.176,645 -0.014,646 -0.072,647 0.025,648 -0.169,649 -0.018,650 -0.147,651 0.014,652 -0.06,653 2.376,654 5.577,655 0.773,656 17.653,657 1.043,658 1.128,659 2.71,660 7.345,661 0.727,662 3.219,663 3.555,664 3.784,665 3.989,666 4.174,667 4.19,668 4.234,669 4.317,670 4.369,671 4.407,672 5.833,673 0.721,674 320.34,675 3.219,676 4.762,677 5.602,678 6.472,679 7.328,680 8.198,681 9.06,682 9.93,683 10.795,684 11.665,685 6.3,693 1,695 1,699 7,700 1,703 1,704 8,706 17,714 1,717 2,719 2,720 32,723 17,724 2,725 24,727 34,728 15,729 15,730 6,731 6,735 3,736 3,749 15,765 1,766 2,768 10,769 6,770 3,771 7,772 1,775 2,780 1,781 2,788 1,789 2,813 3,815 1,819 2,821 22,827 2,829 1,836 1,839 2,840 6.3,842 2,847 11.667,848 5.636,849 4.75,850 1.653,851 3.124,852 1.457,853 0.966,854 4.05,855 9.954,856 3.512,857 4.163,858 4.722,859 5.269,860 5.741,861 5.955,862 6.265,863 6.65,864 6.991,865 7.275,866 0.857,867 32,868 8.14,870 3.619,871 8.348,872 14.618,874 11.878,877 2.848,878 62.667,882 82.398,883 123.226,884 34.796,886 85.367,887 29.92,888 31.278,889 91.948,890 167.764,891 64.717,894 64.507,895 102.152,896 45.453,897 41.691,898 101.904,900 82.398,901 126.745,902 115.287,903 31.278,905 112.318,906 85.367,909 21.268,910 88.691,911 16.786,912 31.278,913 112.318,914 120.163,915 123.226,918 82.398,919 58.72,920 64.507,921 18.011,922 132.072,923 82.398,924 150.083,925 123.226,927 0.593,928 0.341,929 0.168,930 0.091,931 17,932 8,933 0.088,934 3,936 1,937 3.449,938 168.602,940 17,941 98.107,942 1,945 14.88,946 5.988,947 3.261,949 150.083,950 9.288,951 4.264,954 1.235,955 -0.106,957 103.377,958 355.707,959 32.5,969 33.378,970 36.091,971 0.389,972 0.718,973 0.853,974 0.975,975 0.988,976 1,977 4.738,978 1.241,979 5.602,980 3.548,981 4.234,982 4.848,983 0.278,984 6.389,985 4.094,986 5.972,987 0.703,988 7.155,989 3.385,990 3.892,991 4.691,993 7.209,994 3.669,995 7.287,996 0.31,997 8.8,998 1.704,999 5.82,1000 7.068,1001 0.05,1002 10.254,1003 5.571,1004 8.634,1005 0.087,1006 10.495,1007 0.749,1008 6.236,1009 7.672,1011 11.835,1012 5.901,1013 10.006,1014 -0.511,1015 12.219,1016 0.191,1017 7.662,1018 9.528,1019 0.008,1020 14.39,1021 7.315,1022 11.396,1023 -0.539,1024 13.965,1025 -1.242,1026 8.42,1027 10.492,1029 16.3,1030 7.995,1031 12.799,1032 -0.66,1033 15.724,1034 -1.465,1035 9.643,1036 12.115,1037 0.001,1038 18.663,1039 9.201,1040 2.997,1041 -1.121,1042 17.494,1043 -1.759,1044 10.563,1045 13.266,1047 20.728,1048 10.053,1049 2.866,1050 9.423,1051 19.272,1052 -3.037,1053 11.699,1054 14.773,1056 23.009,1057 11.165,1058 2.633,1059 8.834,1060 21.057,1061 4.057,1062 12.696,1063 16.025,1065 25.152,1066 12.104,1067 2.249,1068 7.848,1069 22.847,1070 3.888,1071 13.796,1072 17.472,1074 27.398,1075 13.173,1076 2.018,1077 6.658,1078 24.641,1079 3.62,1080 14.832,1081 18.779,1083 29.58,1084 14.157,1085 1.461,1086 5.672,1087 26.438,1088 2.905,1089 15.916,1090 20.195,1092 31.811,1093 15.206,1094 1.414,1095 3.905,1096 28.238,1097 2.703,1098 16.973,1099 21.534,1101 34.014,1102 16.214,1103 5015,1104 10241,1105 15.72,1106 23.25,1107 36.336,1108 36.736,1109 37.341,1110 35.967,1111 35.958,1112 48.766,1113 0.8,1114 103.834,1115 33.191,1116 5.144,1117 5.24,1118 5.558,1119 5.062,1120 4.997,1121 7.057,1122 0.8,1123 15.881,1124 4.87,1125 11.867,1126 1.514,1127 1.531,1128 1.556,1129 1.499,1130 1.498,1131 2.032,1132 0.033,1133 4.326,1134 1.383,1135 4,1136 4.021,1137 4.234,1138 3.948,1139 8.211,1140 3.926,1141 3.896,1142 3.918,1143 3.864,1144 3.809,1145 8.191,1146 3.817,1147 3.663,1148 3.677,1149 3.808,1150 3.635,1151 6.53,1152 3.577,1153 3.064,1154 3.117,1155 3.023,1156 2.86,1157 6.402,1158 2.886,1159 2.933,1160 2.971,1161 2.94,1162 2.746,1163 4.882,1164 2.751,1165 2.899,1166 2.956,1167 2.801,1168 2.733,1169 4.531,1170 2.735,1171 2.849,1172 2.872,1173 2.791,1174 2.71,1175 4.38,1176 2.697,1177 2.487,1178 2.571,1179 2.421,1180 2.217,1181 3.751,1182 2.237,1183 0.182,1184 0.135,1185 0.26,1186 0.165,1187 0.125,1188 4.369,1189 0.169,1190 3.24,1191 0.017,1192 6.245,1193 0.393,1194 3.949,1195 0.12,1196 2.997,1197 4.057,1198 0.4,1199 9.423,1200 2.87,1201 1.891,1202 1.876,1203 1.97,1204 1.994,1205 1.076,1206 1.983,1207 1.867,1208 1.843,1209 1.946,1210 1.974,1211 1.033,1212 1.969,1213 1.312,1214 1.319,1215 1.369,1216 1.491,1217 0.548,1218 1.453,1219 1.26,1220 1.221,1221 1.237,1222 1.371,1223 0.347,1224 1.416,1225 0.883,1226 0.839,1227 1.136,1228 1.136,1229 0.158,1230 1.13,1231 0.862,1232 0.806,1233 1.112,1234 1.068,1235 0.148,1236 1.08,1237 0.782,1238 0.758,1239 0.921,1240 0.987,1242 0.99,1243 0.635,1244 0.597,1245 0.762,1246 0.926,1248 0.889,1249 3.892,1251 5.22,1252 2.398,1253 6.727,1254 4.595,1255 8.314,1256 6.581,1257 9.94,1261 26.434,1264 18.782,1266 2.769,1273 23.06,1274 62.177,1275 114.839,1276 136.49,1277 156,1278 158,1279 160,1280 49.319,1281 6.83,1282 65.38,1283 93.62,1284 17,1285 12.209,1286 4.17,1287 3.248,1288 34.655,1289 78,1290 70,1291 0.223,1292 144.165,1293 247.39,1294 343.522,1295 7799,1296 6.3,1297 15.69,1298 0.713,1299 0.539,1300 14.303,1301 11.864,1302 10.525,1303 0.439,1304 0.296,1305 6.191,1306 9.589,1307 6.033,1308 4.962,1309 10.174,1310 7.107,1311 9.858,1312 0.29,1313 0.157,1314 9.284,1315 5.349,1316 8.132,1317 0.189,1318 0.086,1319 7.918,1320 3.706,1321 6.28,1322 0.118,1323 0.049,1324 6.412,1325 2.585,1326 4.882,1327 0.076,1328 0.026,1329 5.025,1330 1.666,1331 0.351,1332 71.394,1333 0.252,1334 21.834,1335 0.606,1336 116,1337 497.36,1338 155.427,1339 450.92,1340 588.68,1341 416,1342 135,1343 402.198,1344 168.577,1345 409.285,1346 596.33,1347 384,1348 4}
{0 CHEMBL34712,1 1.702,2 8.5,3 4.68,4 21.906,5 69.694,6 11.085,7 0.706,8 3.33,9 3.422,10 3.237,11 2.998,12 4.598,13 2.965,14 3.713,15 3.824,16 3.622,17 3.318,18 4.968,19 3.259,20 3.948,21 4.129,22 3.599,23 3.311,24 5.166,25 3.217,26 3.753,27 3.984,28 3.135,29 2.954,30 4.871,31 2.848,32 3.354,33 3.57,34 3.068,35 2.731,36 4.532,37 2.679,38 3.269,39 3.4,40 3.064,41 2.843,42 4.505,43 2.765,44 3.441,45 3.637,46 2.915,47 2.896,48 4.43,49 2.753,50 3.379,51 3.608,52 3.096,53 2.74,54 4.403,55 2.564,56 0.061,57 0.327,58 1.501,59 1.963,60 7.53,61 2.189,62 0.037,63 0.477,64 2.227,65 3.101,66 5.281,67 3.556,68 0.168,69 0.612,70 16.232,71 4.664,72 20.958,73 4.718,74 0.204,75 0.526,76 17.412,77 3.845,78 24.252,79 3.744,80 0.15,81 0.348,82 6.942,83 2.202,84 15.519,85 2.642,86 0.092,87 0.294,88 2.534,89 1.918,90 8.608,91 2.396,92 0.05,93 0.341,94 4.573,95 2.871,96 7.027,97 3.705,98 0.062,99 0.3,100 7.439,101 3.18,102 9.22,103 3.958,105 5,106 22,107 0.337,108 0.508,109 0.603,110 0.73,111 0.778,112 0.794,113 2.85,114 0.97,115 -4.58,116 -4.5,117 -4.24,118 1,120 48,140 8,142 4,161 1,165 4,168 4,173 2,176 6,182 8,187 2,190 6,195 4,207 1,210 1,215 4,220 1,223 1,227 8,239 4,250 2,253 2,263 2,266 2,270 248,271 10.723,272 10.723,273 10.723,274 10.723,275 10.723,276 9.066,277 11.243,278 6.491,279 11.006,280 8.382,281 8.382,282 8.382,283 8.382,284 8.382,285 5.991,286 6.838,287 3.136,288 8.915,289 2.942,290 2.08,291 1.6,292 0.96,293 0.72,294 0.64,295 3.506,301 1,302 1,303 284,304 2,307 107.96,313 1.25,314 11.62,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 33.75,326 136,327 4.091,328 2.924,329 5.476,330 3.635,331 2.671,332 3.71,334 7.334,335 2.573,336 3.978,337 2.772,338 5.348,339 3.518,340 2.562,341 3.589,343 6.973,344 2.44,345 3.545,346 2.507,347 4.917,348 3.075,349 2.159,350 2.885,352 5.773,353 1.978,354 3.351,355 2.273,356 4.845,357 2.907,358 2,359 2.637,361 5.567,362 1.685,363 2.5,364 1,365 3.414,366 2,367 1,368 1.5,370 2.275,371 1,372 2.5,373 1,374 3.414,375 2,376 1,377 1.5,379 2.275,380 1,381 2.447,382 0.948,383 3.216,384 1.737,385 0.775,386 1.204,388 1.773,389 0.724,390 1.269,391 0.452,392 2.407,393 0.886,399 1.053,400 0.036,401 2,402 0.52,403 -0.35,404 -0.464,406 -0.741,407 -0.25,408 0.5,409 -0.569,410 2,412 -1,413 -1.137,415 -2.567,416 -0.742,417 0.5,418 -1,419 1.763,421 -1,422 -1.5,424 -3,425 -1,426 0.149,427 -1,428 1.553,429 -0.164,430 -1,431 -1.5,433 -3,434 -1,435 -0.045,436 -1.048,437 1,438 -0.498,439 -1.32,440 -1.742,442 -3.053,443 -1.12,444 -0.248,445 -1.4,446 0.846,447 -0.726,448 -1.562,449 -2.089,451 -3.973,452 -1.453,453 -0.5,454 -1.755,455 0.629,456 -0.99,457 -1.934,458 -2.592,460 -5.086,461 -1.835,462 8.467,463 0.529,464 0.349,465 0.022,466 24.25,467 1.516,468 15,469 0.938,470 9.25,471 0.578,472 8.963,473 0.56,474 15.533,475 0.621,476 12.892,477 0.806,478 4.682,479 0.293,480 3.055,481 0.191,482 0.197,484 0.236,490 0.781,491 0.835,492 0.472,493 0.632,494 0.964,495 0.709,496 0.694,497 1.323,498 0.612,499 0.908,500 0.6,501 0.97,502 1.291,503 1.283,504 1.075,505 1.088,506 1.13,507 1.095,508 1.548,509 1.055,510 1.058,511 0.946,512 1.376,513 0.994,514 0.594,515 0.685,516 0.439,517 0.536,518 0.506,519 0.579,520 0.26,521 0.913,522 0.502,523 0.928,524 0.399,525 1.075,526 0.43,527 0.928,528 0.457,529 0.889,530 0.569,531 1.12,532 0.611,533 0.872,534 0.786,535 0.899,536 0.659,537 0.972,538 3.5,539 0.041,540 1.556,541 0.25,542 0.684,543 0.292,544 0.08,545 0.174,546 0.131,547 0.04,548 2173,549 7910,550 2.03,551 36,553 8,556 1,560 1.541,561 1.92,562 3.101,563 -0.229,569 42.548,570 1.702,571 2.564,572 3.044,573 3.684,574 3.924,575 4.004,576 2.5,577 2.5,578 3.974,579 3.172,580 380.634,581 6.643,582 3374.82,584 1,587 116.096,588 1.299,589 3.94,590 0.206,591 0.021,592 0.071,593 0.013,594 0.057,595 0.024,596 0.007,597 0.017,598 0.016,599 0.008,600 0.44,601 0.83,602 1,603 0.625,604 66.13,605 -0.004,606 0.168,607 -0.005,608 0.069,609 -0.166,610 0.04,611 -0.018,612 -0.351,613 0.001,614 -0.145,615 0.047,616 -0.167,617 -0.232,618 -0.261,619 -0.108,620 -0.151,621 -0.122,622 -0.179,623 -0.371,624 0.058,625 -0.123,626 0.004,627 -0.321,628 -0.034,629 0.259,630 0.418,631 0.109,632 0.273,633 0.222,634 0.354,635 0.332,636 0.045,637 0.015,638 -0.176,639 0.17,640 -0.232,641 0.067,642 -0.066,643 0.043,644 -0.056,645 -0.029,646 -0.115,647 0.158,648 -0.064,649 0.126,650 0.141,651 0.221,652 0.168,653 1.442,654 3.095,655 0.75,656 10,657 1.012,658 1.108,659 3.351,660 11.23,661 0.755,662 2.89,663 3.135,664 3.258,665 3.367,666 3.611,667 3.367,668 3.219,669 3.367,670 3.367,671 3.219,672 4.94,673 0.716,674 277.13,675 2.89,676 4.369,677 5.153,678 5.969,679 6.77,680 7.583,681 8.39,682 9.203,683 10.012,684 10.824,685 8,697 2,699 8,704 4,706 12,717 1,719 1,720 25,723 13,724 2,725 17,726 1,727 26,728 12,729 12,730 4,731 8,735 2,736 2,749 12,754 1,762 2,765 1,768 9,769 3,770 1,771 4,772 1,775 2,779 1,780 1,781 1,789 2,813 2,816 1,821 16,827 1,839 1,840 4,842 1,847 8.333,848 4.41,849 3.583,850 1.337,851 2.765,852 1.479,853 0.948,854 3.446,855 8.537,856 3.219,857 3.784,858 4.297,859 4.777,860 5.343,861 5.348,862 5.524,863 5.955,864 6.36,865 6.593,866 0.833,867 19,868 5.823,870 2.35,871 7.839,872 10.921,874 8.393,877 2.339,878 37.417,879 0.002,882 94.169,883 84.379,884 79.28,886 42.683,889 130.333,890 136.852,891 33.326,894 75.81,895 42.683,896 8.569,897 33.326,898 94.169,899 45.954,900 94.169,901 117.705,902 42.683,904 45.954,905 94.169,906 42.683,910 84.379,911 33.326,912 45.954,913 94.169,914 76.009,915 130.333,918 94.169,919 8.569,920 75.81,921 45.954,922 76.009,923 94.169,924 76.009,925 130.333,927 0.571,928 0.306,929 0.142,930 0.089,931 10,932 4,933 0.077,934 2,936 1,937 2.968,938 98.035,940 12,941 56,945 10.993,946 5.015,947 3.25,949 76.009,950 14.125,955 2.732,957 42.683,958 300.511,959 24,967 8.116,969 25.294,970 27.708,971 0.366,972 0.552,973 0.655,974 0.793,975 0.845,976 0.862,977 4.382,979 5.094,980 1.773,981 3.807,982 4.466,984 5.746,985 3.694,986 5.574,987 -0.35,988 6.558,990 3.219,991 4.007,993 6.293,994 2.912,995 6.839,996 -1,997 8.106,998 -0.741,999 5.263,1000 6.598,1002 9.226,1003 5.06,1004 8.135,1005 -1,1006 9.698,1007 -2.567,1008 5.398,1009 6.876,1011 10.496,1012 5.019,1013 9.454,1014 -1,1015 11.315,1016 -3,1017 6.925,1018 8.934,1020 12.911,1021 6.643,1022 10.789,1023 -1.32,1024 12.948,1025 -3,1026 7.41,1027 9.583,1029 14.501,1030 6.984,1031 12.135,1032 -1.562,1033 14.591,1034 -3.053,1035 8.688,1036 11.365,1038 16.697,1039 8.331,1040 2.671,1041 -1.934,1042 16.242,1043 -3.973,1044 9.369,1045 12.238,1047 18.457,1048 8.896,1049 2.562,1050 7.334,1051 17.898,1052 -5.086,1053 10.512,1054 13.853,1056 20.546,1057 10.08,1058 2.159,1059 6.973,1060 19.558,1061 3.71,1062 11.31,1063 14.87,1065 22.401,1066 10.784,1067 2,1068 5.773,1069 21.222,1070 3.589,1071 12.376,1072 16.379,1074 24.435,1075 11.869,1076 1,1077 5.567,1078 22.889,1079 2.885,1080 13.244,1081 17.49,1083 26.344,1084 12.66,1085 1,1086 2.275,1087 24.557,1088 2.637,1089 14.267,1090 18.929,1092 28.35,1093 13.685,1094 0.775,1095 2.275,1096 26.228,1097 1.5,1098 15.177,1099 20.103,1101 30.289,1102 14.529,1103 2190,1104 4261,1105 11.326,1106 18.864,1107 25.06,1108 24.796,1109 25.023,1110 24.65,1111 24.333,1112 34.05,1114 63.941,1115 22.801,1116 4.681,1117 4.924,1118 4.89,1119 4.635,1120 4.671,1121 6.71,1123 12.609,1124 4.573,1125 6.866,1126 1.474,1127 1.459,1128 1.472,1129 1.45,1130 1.431,1131 2.003,1133 3.761,1134 1.341,1135 3.942,1136 3.974,1137 6.88,1138 3.873,1139 6.471,1140 3.864,1141 3.844,1142 3.867,1143 3.87,1144 3.794,1145 5.009,1146 3.785,1147 3.177,1148 3.235,1149 3.716,1150 2.994,1151 4.662,1152 2.992,1153 2.854,1154 2.925,1155 3.083,1156 2.75,1157 4.357,1158 2.73,1159 2.854,1160 2.925,1161 2.687,1162 2.735,1163 3.674,1164 2.715,1165 2.846,1166 2.867,1167 2.687,1168 2.735,1169 3.674,1170 2.715,1171 2.408,1172 2.48,1173 2.64,1174 2.067,1175 3.619,1176 2.083,1177 2.049,1178 2.153,1179 2.155,1180 1.66,1181 3.145,1182 1.601,1183 0.241,1184 0.172,1185 0.322,1186 0.214,1187 0.157,1188 4.091,1189 0.218,1190 2.924,1192 5.476,1193 0.431,1194 3.635,1195 0.151,1196 2.671,1197 3.71,1199 7.334,1200 2.573,1201 1.899,1202 1.873,1203 1.986,1204 2.005,1205 1.059,1206 2.003,1207 1.841,1208 1.82,1209 1.932,1210 1.916,1211 1.024,1212 1.931,1213 1.038,1214 0.992,1215 1.181,1216 1.315,1217 0.218,1218 1.26,1219 0.886,1220 0.821,1221 1.181,1222 1.062,1223 0.218,1224 1.107,1225 0.886,1226 0.821,1227 1.116,1228 1.062,1229 0.121,1230 1.107,1231 0.782,1232 0.761,1233 0.92,1234 0.986,1235 0.03,1236 0.975,1237 0.218,1238 0.126,1239 0.573,1240 0.65,1242 0.646,1245 0.397,1246 0.401,1248 0.431,1249 3.555,1251 4.812,1253 6.256,1255 7.774,1257 9.327,1258 3.349,1264 9.095,1273 17.89,1274 42.548,1275 64.096,1276 76.096,1277 92.096,1278 98.096,1279 100.096,1280 18.633,1281 5.771,1282 44.95,1283 44.95,1284 12,1285 11.411,1286 3.807,1287 3,1288 26.25,1289 48,1290 40,1291 0.275,1292 120.099,1293 201.23,1294 284.801,1295 1988,1296 4,1297 11.38,1298 0.711,1299 0.62,1300 12.38,1301 9.924,1302 7.737,1303 0.455,1304 0.323,1305 4.708,1306 6.958,1307 4.557,1308 3.798,1309 8.315,1310 5.496,1311 6.829,1312 0.31,1313 0.187,1314 7.646,1315 4.108,1316 5.254,1317 0.21,1318 0.099,1319 5.831,1320 2.486,1321 3.707,1322 0.132,1323 0.05,1324 4.04,1325 1.407,1326 3.276,1327 0.091,1328 0.029,1329 3.748,1330 1.031,1331 0.436,1332 56.28,1333 0.297,1334 16.626,1335 0.733,1336 78,1337 246.094,1338 149.416,1339 281.469,1340 369.18,1341 260,1342 86,1343 244.226,1344 119.672,1345 261.03,1346 368.95,1347 245,1348 4.602}
{0 CHEMBL355132,1 1.834,2 15.521,3 2.646,4 7.003,5 164.764,6 8.271,7 0.22,8 4.523,9 4.624,10 4.155,11 3.997,12 5.759,13 3.998,14 5.084,15 5.233,16 4.594,17 4.384,18 6.515,19 4.37,20 5.408,21 5.588,22 4.645,23 4.516,24 6.866,25 4.484,26 5.497,27 5.706,28 4.738,29 4.506,30 6.856,31 4.506,32 5.478,33 5.65,34 4.782,35 4.513,36 7.016,37 4.54,38 5.521,39 5.703,40 4.844,41 4.619,42 7.013,43 4.633,44 5.642,45 5.824,46 4.918,47 4.689,48 7.164,49 4.699,50 5.701,51 5.891,52 4.871,53 4.704,54 7.238,55 4.7,56 0.389,57 1.314,58 15.332,59 8.074,60 64.602,61 9.077,62 1.253,63 2.234,64 33.151,65 13.262,66 196.358,67 16.24,68 2.186,69 2.517,70 51.384,71 16.749,72 336.049,73 20.661,74 2.16,75 2.646,76 61.532,77 17.202,78 362.476,79 21.899,80 2.645,81 2.845,82 58.075,83 16.06,84 419.008,85 18.093,86 2.278,87 3.01,88 56.403,89 18.554,90 384.051,91 22.324,92 2.755,93 3.307,94 65.703,95 20.923,96 468.598,97 25.203,98 3.502,99 3.362,100 75.219,101 21.383,102 606.558,103 24.696,105 217,106 72,107 0.277,108 0.608,109 0.792,110 0.861,111 0.866,112 0.866,113 3.895,114 0.941,115 -1.95,116 -2,117 -2,120 36.9,121 3,122 5,126 1,128 3,130 1,131 1,140 6,141 2,146 1,148 1,151 1,153 5,154 1,162 2,164 2,165 10,166 2,167 2,168 7,171 6,173 6,176 13,177 2,181 1,182 6,185 4,187 6,190 5,191 1,194 1,195 15,198 1,200 7,201 2,203 1,206 6,207 8,208 2,210 4,211 3,212 5,215 3,219 3,220 10,221 3,223 3,224 1,225 3,227 7,230 4,231 21,234 4,236 5,239 8,240 2,244 4,245 9,246 2,248 3,250 7,251 1,253 8,254 3,257 2,258 11,261 4,262 1,263 6,264 1,266 16,267 1,270 5782,271 30.272,272 30.272,273 30.272,274 30.272,275 30.272,276 27.977,277 35.897,278 17.512,279 30.892,280 24.597,281 24.597,282 24.597,283 24.597,284 24.597,285 20.856,286 39.577,287 8.299,288 25.609,289 4.559,290 2.365,291 1.15,292 0.691,293 0.658,294 0.658,295 4.562,303 1518,304 6.964,306 351.287,307 199.984,313 2.356,314 122.768,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 111,326 745,327 4.636,328 4.651,329 7.669,330 4.452,331 3.521,332 3.886,333 3.524,334 13.519,335 3.274,336 4.274,337 3.951,338 6.731,339 4.122,340 3.163,341 3.776,342 2.341,343 10.873,344 3.036,345 4.227,346 3.766,347 6.446,348 4.062,349 3.118,350 3.454,351 2.19,352 10.155,353 2.923,354 4.154,355 3.65,356 6.068,357 3.812,358 2.853,359 3.421,360 2.012,361 8.664,362 2.74,363 3.947,364 3.591,365 6.002,366 3.703,367 2.72,368 3.208,369 1.944,370 8.543,371 2.666,372 3.833,373 3.582,374 5.909,375 3.583,376 2.593,377 3.004,378 1.899,379 8.069,380 2.564,381 3.633,382 3.476,383 5.361,384 3.31,385 2.328,386 2.862,387 1.437,388 6.76,389 2.28,390 3.538,391 3.17,392 5.23,393 3.197,394 2.214,395 2.702,396 1.267,397 6.435,398 2.174,399 3.482,400 2.924,401 5.149,402 3.131,403 2.175,404 2.622,405 0.635,406 5.958,407 2.05,408 3.402,409 2.689,410 4.795,411 3.039,412 2.063,413 2.539,414 0.366,415 5.284,416 1.939,417 3.042,418 2.579,419 4.666,420 2.772,421 1.775,422 2.087,423 0.207,424 4.849,425 1.747,426 2.932,427 2.551,428 4.576,429 2.513,430 1.516,431 2.04,432 0.086,433 3.99,434 1.502,435 2.731,436 2.104,437 4.025,438 2.347,439 1.374,440 1.722,441 0.05,442 3.189,443 1.318,444 2.54,445 1.983,446 3.752,447 2.283,448 1.287,449 1.5,451 3.038,452 1.265,453 2.5,454 1.688,455 3.606,456 2.023,457 1.041,458 1.457,460 2.56,461 1,462 21.838,463 0.455,464 1.788,465 0.037,466 51.5,467 1.073,468 21,469 0.438,470 30.5,471 0.635,472 59.244,473 1.234,474 56.162,475 0.669,476 59.948,477 1.249,478 10.225,479 0.213,480 12.159,481 0.253,482 0.232,483 0.046,484 0.316,486 2,490 0.708,491 1.2,492 0.728,493 1.108,494 0.633,495 0.998,496 0.509,497 1.161,498 0.742,499 1.138,500 0.486,501 1.036,502 0.865,503 0.976,504 1.001,505 1.049,506 0.775,507 1.104,508 1.043,509 1.026,510 0.804,511 0.925,512 1.099,513 0.852,514 1.304,515 1.105,516 1.062,517 0.879,518 1.347,519 0.919,520 0.991,521 1.153,522 0.783,523 0.936,524 0.98,525 0.908,526 1.062,527 1.222,528 0.862,529 1.029,530 1.084,531 0.985,532 1.29,533 1.049,534 1.104,535 0.852,536 1.29,537 0.92,538 14,539 0.417,540 6.444,541 4.215,542 3.211,543 2.198,544 2.05,545 1.435,546 1.171,547 0.704,548 37466,549 140185,550 1.893,551 42.9,553 11,554 1,556 5,557 2,558 17,560 1.849,561 1.704,562 3.869,563 2.128,569 154.038,570 1.834,571 4.028,572 5.243,573 5.701,574 5.734,575 5.734,576 3.328,577 5.137,578 5.554,579 4.101,580 4626.06,581 9.91,582 91679.4,587 536.955,588 1.759,589 5.458,590 0.28,591 0.006,592 0.09,593 0.059,594 0.041,595 0.027,596 0.023,597 0.015,598 0.013,599 0.009,600 0.562,601 0.17,602 0.63,603 1.616,604 284.781,605 -0.085,606 -0.072,607 0.014,608 0.025,609 -0.068,610 0.027,611 0.234,612 -0.049,613 0.126,614 -0.059,615 0.184,616 -0.021,617 0.06,618 0.019,619 -0.083,620 -0.078,621 0.073,622 -0.133,623 -0.066,624 -0.075,625 0.164,626 0.006,627 -0.087,628 0.121,629 -0.121,630 0.017,631 -0.1,632 0.037,633 -0.12,634 -0.025,635 0.013,636 -0.066,637 0.092,638 -0.004,639 0.039,640 0.055,641 0.019,642 -0.121,643 0.054,644 -0.081,645 0.016,646 -0.018,647 -0.1,648 0.058,649 -0.112,650 0.085,651 -0.071,652 0.015,653 5.926,654 7.353,655 0.333,656 68.538,657 1.033,658 1.14,659 0.715,660 0.511,661 0.643,662 3.932,663 4.29,664 4.454,665 4.644,666 4.736,667 4.836,668 4.927,669 5.011,670 5.056,671 5.017,672 9.35,673 0.633,674 694.78,675 3.932,676 5.501,677 6.326,678 7.212,679 8.059,680 8.947,681 9.805,682 10.694,683 11.561,684 12.451,685 4.8,692 4,699 7,703 1,704 3,706 11,711 1,720 84,723 18,724 1,725 50,727 86,728 31,729 10,730 1,731 5,732 1,735 3,736 3,741 3,743 1,745 3,748 9,749 17,750 14,751 1,754 7,759 7,763 7,766 2,768 36,769 16,770 5,771 17,772 1,775 4,780 1,781 10,786 1,788 2,789 1,798 1,800 2,801 1,802 1,810 1,811 2,813 3,815 1,817 3,819 2,821 48,827 2,828 6,829 3,830 1,833 3,834 1,835 2,837 1,839 2,840 11.9,842 2,843 7,845 1,847 28.167,848 15.469,849 10.375,850 4.826,851 1.253,852 1.159,853 0.891,854 13.475,855 9.113,856 4.151,857 4.642,858 4.981,859 5.341,860 5.57,861 5.649,862 5.792,863 5.961,864 6.074,865 6.074,866 1,867 72,868 18.999,870 9.429,871 8.5,872 32.15,874 26.114,877 3,878 144,882 364.904,883 173.993,884 57.157,886 272.381,887 29.92,888 31.278,889 142.715,890 637.285,891 87.077,892 26.476,893 71.935,894 64.507,895 282.448,896 50.045,897 18.534,898 384.411,900 364.904,901 199.872,902 302.301,903 31.278,905 164.795,906 502.41,908 1.824,909 99.34,910 98.707,912 31.278,913 394.824,914 329.538,915 173.993,918 366.728,919 81.186,920 94.106,921 54.032,922 302.301,923 364.904,924 359.458,925 173.993,927 0.595,928 0.322,929 0.158,930 0.08,931 29,932 18,933 0.186,934 16,936 1,937 5.136,938 497.233,940 16,941 257.323,942 1,945 38.821,946 16.661,947 11.22,949 359.458,950 9.887,954 0.657,955 -0.14,957 139.399,958 898.355,959 62.5,964 87.762,968 -9.379,969 86.803,970 95.745,971 0.287,972 0.63,973 0.82,974 0.892,975 0.897,976 0.897,977 5.437,978 2.214,979 6.382,980 6.76,981 4.977,982 5.33,983 4.156,984 7.238,985 4.898,986 6.652,987 2.175,988 7.991,989 6.435,990 4.89,991 5.286,992 4.097,993 8.483,994 4.748,995 7.972,996 2.063,997 9.713,998 5.958,999 6.681,1000 7.338,1001 5.746,1002 11.495,1003 6.505,1004 9.321,1005 1.775,1006 11.503,1007 5.284,1008 7.353,1009 8.016,1010 6.516,1011 13.547,1012 7.1,1013 10.699,1014 1.516,1015 13.339,1016 4.849,1017 8.72,1018 9.633,1019 7.826,1020 16.212,1021 8.426,1022 12.097,1023 1.374,1024 15.209,1025 3.99,1026 9.698,1027 10.616,1028 8.924,1029 18.577,1030 9.323,1031 13.511,1032 1.287,1033 17.105,1034 3.189,1035 10.938,1036 12.077,1037 10.175,1038 21.163,1039 10.509,1040 3.521,1041 1.041,1042 19.023,1043 3.038,1044 12.046,1045 13.208,1046 11.383,1047 23.657,1048 11.537,1049 3.163,1050 13.519,1051 20.959,1052 2.56,1053 13.253,1054 14.602,1055 12.632,1056 26.232,1057 12.681,1058 3.118,1059 10.873,1060 22.909,1061 3.886,1062 14.419,1063 15.814,1064 13.875,1065 28.782,1066 13.768,1067 2.853,1068 10.155,1069 24.873,1070 3.776,1071 15.625,1072 17.178,1073 15.129,1074 31.363,1075 14.903,1076 2.72,1077 8.664,1078 26.847,1079 3.454,1080 16.82,1081 18.436,1082 16.383,1083 33.938,1084 16.02,1085 2.593,1086 8.543,1087 28.831,1088 3.421,1089 18.032,1090 19.785,1091 17.64,1092 36.526,1093 17.158,1094 2.328,1095 8.069,1096 30.823,1097 3.208,1098 19.244,1099 21.073,1100 18.898,1101 39.114,1102 18.292,1103 37559,1104 73023,1105 30.63,1106 54.034,1107 77.41,1108 79.962,1109 78.586,1110 75.705,1111 75.535,1112 90.772,1113 35.911,1114 223.027,1115 72.665,1116 5.625,1117 6.651,1118 7.471,1119 5.558,1120 5.521,1121 6.886,1122 5.246,1123 21.708,1124 5.274,1125 36.721,1126 1.548,1127 1.599,1128 1.572,1129 1.514,1130 1.511,1131 1.815,1132 0.718,1133 4.461,1134 1.453,1135 4,1136 4.036,1137 4.236,1138 3.929,1139 8.363,1140 3.894,1141 3.9,1142 3.937,1143 3.914,1144 3.871,1145 7.999,1146 3.835,1147 3.893,1148 3.904,1149 3.821,1150 3.752,1151 7.478,1152 3.763,1153 3.77,1154 3.81,1155 3.724,1156 3.583,1157 7.472,1158 3.598,1159 3.723,1160 3.747,1161 3.661,1162 3.543,1163 7.439,1164 3.564,1165 3.676,1166 3.719,1167 3.558,1168 3.514,1169 7.43,1170 3.516,1171 3.457,1172 3.492,1173 3.395,1174 3.201,1175 7.425,1176 3.241,1177 3.424,1178 3.454,1179 3.337,1180 3.155,1181 7.422,1182 3.198,1183 0.093,1184 0.093,1185 0.153,1186 0.089,1187 0.07,1188 4.636,1189 0.078,1190 4.651,1191 0.07,1192 7.669,1193 0.27,1194 4.452,1195 0.065,1196 3.521,1197 3.886,1198 3.524,1199 13.519,1200 3.274,1201 1.928,1202 1.899,1203 2.056,1204 2.03,1205 1.253,1206 2.036,1207 1.752,1208 1.711,1209 1.951,1210 1.968,1211 1.233,1212 1.953,1213 1.691,1214 1.653,1215 1.912,1216 1.892,1217 1.209,1218 1.897,1219 1.672,1220 1.63,1221 1.865,1222 1.871,1223 1.117,1224 1.858,1225 1.601,1226 1.569,1227 1.768,1228 1.796,1229 0.987,1230 1.787,1231 1.554,1232 1.529,1233 1.676,1234 1.734,1235 0.901,1236 1.732,1237 1.487,1238 1.439,1239 1.644,1240 1.708,1241 0.753,1242 1.68,1243 1.397,1244 1.378,1245 1.451,1246 1.609,1247 0.608,1248 1.585,1249 4.615,1251 5.964,1252 3.045,1253 7.468,1254 5.283,1255 9.045,1256 7.286,1257 10.665,1259 4.748,1261 30.706,1264 18.233,1265 -0.943,1266 6.456,1267 5.184,1270 -4.629,1271 1.074,1272 -5.616,1273 53.143,1274 154.038,1275 338.328,1276 440.386,1277 478.916,1278 481.67,1279 481.67,1280 297.819,1281 7.861,1282 208.51,1283 236.75,1284 16,1285 12.985,1286 4.248,1287 3.755,1288 116.865,1289 265,1290 286,1291 0.207,1292 331.491,1293 616.85,1294 800.598,1295 28779,1296 2.4,1297 35.811,1298 0.746,1299 0.565,1300 34.371,1301 27.104,1302 22.384,1303 0.448,1304 0.314,1305 14.594,1306 20.709,1307 14.185,1308 11.693,1309 22.077,1310 15.682,1311 22.097,1312 0.307,1313 0.179,1314 21.482,1315 12.881,1316 15.953,1317 0.188,1318 0.093,1319 15.07,1320 7.914,1321 12.316,1322 0.12,1323 0.054,1324 12.822,1325 5.61,1326 8.568,1327 0.076,1328 0.029,1329 8.851,1330 3.255,1331 0.326,1332 148.064,1333 0.181,1334 41.312,1335 0.567,1336 244,1337 1033.91,1338 311.436,1339 933.39,1340 1181.49,1341 854,1342 279,1343 780.221,1344 337.798,1345 776.71,1346 1140.82,1347 725,1348 4}
{0 CHEMBL355430,1 1.566,2 16.596,3 3.7,4 13.694,5 169.832,6 7.174,7 0.245,8 4.577,9 4.695,10 4.076,11 4.038,12 5.712,13 4.025,14 5.143,15 5.317,16 4.42,17 4.423,18 6.31,19 4.374,20 5.452,21 5.668,22 4.517,23 4.587,24 6.537,25 4.516,26 5.566,27 5.781,28 4.589,29 4.589,30 6.731,31 4.554,32 5.601,33 5.808,34 4.712,35 4.621,36 6.991,37 4.599,38 5.649,39 5.858,40 4.724,41 4.711,42 6.9,43 4.672,44 5.713,45 5.913,46 4.753,47 4.781,48 6.949,49 4.736,50 5.79,51 6.011,52 4.756,53 4.822,54 7.055,55 4.754,56 0.142,57 1.255,58 19.54,59 8.437,60 25.054,61 11.137,62 0.898,63 1.973,64 37.825,65 13.628,66 107.691,67 19.165,68 1.08,69 2.456,70 54.156,71 17.624,72 149.358,73 25.207,74 1.297,75 2.562,76 62.765,77 17.172,78 210.269,79 24.861,80 2.077,81 2.647,82 65.599,83 17.191,84 328.548,85 25.169,86 1.818,87 2.793,88 68.253,89 19.815,90 260.178,91 27.872,92 1.573,93 2.969,94 71.816,95 21.652,96 283.135,97 30.117,98 2.27,99 3.14,100 79.585,101 23.083,102 359.248,103 33.013,105 120,106 65,107 0.233,108 0.528,109 0.746,110 0.852,111 0.88,112 0.89,113 3.874,114 0.965,115 -2.48,116 -2.51,117 -2.46,120 37.4,121 2,122 6,123 1,125 1,126 2,128 4,140 10,141 2,153 5,154 1,162 1,164 1,165 18,166 1,167 3,168 4,171 5,173 4,176 16,177 1,181 1,182 9,185 6,186 1,187 7,190 9,195 16,200 7,201 1,203 1,206 7,207 15,208 2,210 4,211 1,212 8,215 4,219 4,220 16,221 1,223 5,224 1,225 5,227 8,230 1,231 20,234 1,236 3,237 1,239 10,240 3,244 7,245 13,246 1,248 2,249 1,250 8,251 1,253 15,254 2,257 1,258 10,259 2,261 5,262 2,263 6,266 17,267 1,270 5787,271 31.189,272 31.189,273 31.189,274 31.189,275 31.189,276 28.829,277 30.916,278 18.703,279 31.649,280 23.999,281 23.999,282 23.999,283 23.999,284 23.999,285 20.254,286 29.382,287 8.719,288 24.547,289 4.942,290 2.961,291 1.5,292 0.789,293 0.596,294 0.53,295 4.55,303 1608,304 6.481,306 173.647,307 401.474,313 2.591,314 84.961,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 105,326 780,327 4.281,328 3.96,329 6.733,330 4.129,331 3.161,332 3.48,333 2.472,334 10.882,335 3.053,336 4.097,337 3.837,338 6.409,339 3.953,340 2.97,341 3.448,342 2.341,343 9.741,344 2.914,345 4.027,346 3.78,347 6.111,348 3.817,349 2.836,350 3.426,351 2.206,352 8.889,353 2.773,354 3.904,355 3.63,356 5.934,357 3.585,358 2.593,359 3.23,360 2.02,361 8.202,362 2.57,363 3.823,364 3.592,365 5.361,366 3.522,367 2.538,368 3.088,369 1.955,370 7.018,371 2.497,372 3.719,373 3.564,374 5.292,375 3.387,376 2.395,377 2.885,378 1.918,379 6.747,380 2.366,381 3.55,382 2.762,383 5.134,384 3.196,385 2.202,386 2.723,387 0.815,388 5.941,389 2.177,390 3.531,391 2.743,392 4.966,393 3.166,394 2.188,395 2.694,396 0.636,397 5.762,398 2.087,399 3.191,400 2.595,401 4.792,402 2.994,403 2,404 2.213,405 0.428,406 5.146,407 1.977,408 3.01,409 2.487,410 4.625,411 2.792,412 1.789,413 2.09,414 0.307,415 4.751,416 1.777,417 2.923,418 2.099,419 4.214,420 2.514,421 1.525,422 2.077,423 0.118,424 3.602,425 1.504,426 2.914,427 2.018,428 3.91,429 2.483,430 1.491,431 2.002,432 0.078,433 3.189,434 1.476,435 2.526,436 1.746,437 3.685,438 2.323,439 1.329,440 1.5,442 3.133,443 1.312,444 2.5,445 1.492,446 3.588,447 2.152,448 1.191,449 1.5,451 2.748,452 1.13,453 2.5,454 1.46,455 3.54,456 2,457 1,458 1.467,460 2.194,461 1,462 21.6,463 0.46,464 1.141,465 0.024,466 50.5,467 1.074,468 21,469 0.447,470 29.5,471 0.628,472 56.303,473 1.198,474 54.6,475 0.6,476 53.966,477 1.148,478 10.205,479 0.217,480 12.326,481 0.262,482 0.177,484 0.319,490 0.738,491 1.448,492 0.834,493 1.266,494 0.592,495 1.094,496 0.584,497 1.241,498 0.898,499 1.146,500 0.484,501 1.1,502 0.844,503 1.084,504 0.975,505 1.087,506 0.9,507 1.062,508 1.379,509 1.129,510 1.075,511 0.991,512 1.381,513 0.957,514 1.164,515 0.999,516 1.012,517 0.898,518 1.174,519 0.903,520 1.203,521 0.92,522 1.024,523 0.911,524 1.174,525 0.92,526 1.295,527 1.124,528 1.091,529 1.072,530 1.326,531 1.038,532 1.124,533 0.936,534 1.056,535 0.916,536 1.189,537 0.961,538 9.5,539 0.449,540 5.333,541 2.806,542 2.952,543 1.733,544 1.327,545 1.302,546 0.922,547 0.613,548 37640,549 110312,550 1.947,551 48.4,552 8,553 21,556 4,557 2,558 9,560 1.843,561 1.796,562 3.95,563 1.367,569 142.491,570 1.566,571 3.547,572 5.008,573 5.719,574 5.911,575 5.977,576 3.47,577 5.156,578 5.523,579 4.162,580 4498.98,581 9.841,582 89293.7,587 592.209,588 1.5,589 5.466,590 0.194,591 0.007,592 0.082,593 0.041,594 0.04,595 0.021,596 0.016,597 0.015,598 0.011,599 0.008,600 0.435,601 0.17,602 0.63,603 1.218,604 278.908,605 -0.059,606 -0.132,607 0.021,608 -0.052,609 -0.035,610 -0.004,611 0.21,612 -0.063,613 0.019,614 -0.053,615 0.127,616 -0.066,617 0.023,618 -0.008,619 -0.018,620 -0.074,621 -0.053,622 -0.062,623 -0.211,624 -0.11,625 -0.053,626 -0.044,627 -0.183,628 -0.014,629 0.084,630 0.04,631 0.026,632 0.027,633 0.116,634 0.018,635 -0.031,636 0.106,637 -0.005,638 0.051,639 -0.016,640 0.032,641 -0.138,642 -0.107,643 -0.083,644 -0.079,645 -0.091,646 -0.068,647 0.007,648 0.052,649 -0.039,650 0.045,651 0.005,652 -0.001,653 2.837,654 6.853,655 0.362,656 68.445,657 1.011,658 1.134,659 1.253,660 1.571,661 0.63,662 3.912,663 4.19,664 4.394,665 4.575,666 4.718,667 4.71,668 4.787,669 4.89,670 4.92,671 4.883,672 9.62,673 0.605,674 652.82,675 3.912,676 5.434,677 6.252,678 7.102,679 7.943,680 8.799,681 9.649,682 10.509,683 11.366,684 12.23,685 4.4,692 4,699 10,704 2,706 12,720 91,723 18,724 2,725 49,727 93,728 34,729 12,730 2,731 10,735 3,736 3,741 2,745 3,748 10,749 18,750 16,751 1,754 6,759 6,763 6,768 44,769 13,770 4,771 13,775 4,780 1,781 9,786 1,788 1,789 2,800 2,801 1,802 1,803 1,810 1,811 1,813 3,817 3,821 47,827 1,828 8,829 3,830 2,833 5,834 1,840 9.9,842 1,843 6,845 2,847 26.167,848 16.483,849 10.778,850 5.579,851 1.399,852 1.179,853 0.896,854 15.344,855 9.203,856 4.127,857 4.554,858 4.887,859 5.216,860 5.589,861 5.395,862 5.527,863 5.744,864 5.866,865 5.781,866 1,867 69,868 17.81,870 7.739,871 8.106,872 32.601,874 26.105,877 2.606,878 122.5,882 470.844,883 180.55,884 57.157,886 215.553,889 180.55,890 686.397,891 57.157,892 28.533,893 79.062,894 94.762,895 215.768,896 28.371,897 6.763,898 470.844,900 470.844,901 237.707,902 215.553,905 364.904,906 321.493,909 96.712,910 140.994,913 470.844,914 272.709,915 180.55,918 470.844,919 57.254,920 126.42,921 54.032,922 215.553,923 470.844,924 272.709,925 180.55,927 0.569,928 0.327,929 0.167,930 0.091,931 23,932 14,933 0.194,934 18,936 1,937 5.247,938 468.671,940 17,941 253.066,945 37.676,946 19.141,947 11.757,949 272.709,950 18.083,955 1.557,957 96.716,958 924.103,959 61,964 77.502,968 -4.523,969 92.025,970 103.182,971 0.241,972 0.545,973 0.77,974 0.879,975 0.908,976 0.919,977 5.361,978 2.188,979 6.225,980 5.941,981 4.875,982 5.242,983 3.917,984 6.991,985 4.832,986 6.511,987 2,988 7.765,989 5.762,990 4.443,991 4.913,992 3.553,993 7.851,994 4.396,995 7.778,996 1.789,997 9.408,998 5.146,999 6.428,1000 7.148,1001 5.195,1002 10.929,1003 6.337,1004 9.07,1005 1.525,1006 11.111,1007 4.751,1008 6.815,1009 7.552,1010 5.47,1011 12.63,1012 6.711,1013 10.392,1014 1.491,1015 12.854,1016 3.602,1017 8.262,1018 9.31,1019 6.672,1020 15.235,1021 8.122,1022 11.731,1023 1.329,1024 14.626,1025 3.189,1026 9.021,1027 10.025,1028 7.226,1029 17.289,1030 8.859,1031 13.085,1032 1.191,1033 16.419,1034 3.133,1035 10.259,1036 11.598,1037 8.247,1038 19.732,1039 10.065,1040 3.161,1041 1,1042 18.227,1043 2.748,1044 11.199,1045 12.47,1046 8.944,1047 21.947,1048 10.976,1049 2.97,1050 10.882,1051 20.049,1052 2.194,1053 12.353,1054 13.949,1055 9.883,1056 24.332,1057 12.1,1058 2.836,1059 9.741,1060 21.88,1061 3.48,1062 13.382,1063 14.914,1064 10.659,1065 26.623,1066 13.097,1067 2.593,1068 8.889,1069 23.72,1070 3.448,1071 14.506,1072 16.335,1073 11.561,1074 28.99,1075 14.189,1076 2.538,1077 8.202,1078 25.567,1079 3.426,1080 15.579,1081 17.364,1082 12.381,1083 31.318,1084 15.229,1085 2.395,1086 7.018,1087 27.42,1088 3.23,1089 16.696,1090 18.744,1091 13.267,1092 33.682,1093 16.313,1094 2.202,1095 6.747,1096 29.279,1097 3.088,1098 17.793,1099 19.82,1100 14.113,1101 36.03,1102 17.375,1103 37245,1104 63967,1105 31.323,1106 57.341,1107 72.074,1108 75.59,1109 75.117,1110 71.003,1111 71.052,1112 85.631,1113 30.585,1114 195.283,1115 69.615,1116 5.273,1117 5.96,1118 6.535,1119 5.209,1120 5.161,1121 6.48,1122 4.22,1123 18.274,1124 5.053,1125 30.325,1126 1.471,1127 1.543,1128 1.533,1129 1.449,1130 1.45,1131 1.748,1132 0.624,1133 3.985,1134 1.421,1135 3.995,1136 4.037,1137 3.918,1138 3.888,1139 7.475,1140 3.885,1141 3.908,1142 3.939,1143 3.835,1144 3.841,1145 7.442,1146 3.834,1147 3.894,1148 3.932,1149 3.818,1150 3.759,1151 7.432,1152 3.77,1153 3.82,1154 3.87,1155 3.729,1156 3.669,1157 7.428,1158 3.672,1159 3.699,1160 3.743,1161 3.601,1162 3.536,1163 7.425,1164 3.539,1165 3.628,1166 3.662,1167 3.539,1168 3.427,1169 7.421,1170 3.448,1171 3.484,1172 3.529,1173 3.375,1174 3.231,1175 6.351,1176 3.258,1177 3.421,1178 3.434,1179 3.356,1180 3.131,1181 4.782,1182 3.18,1183 0.087,1184 0.081,1185 0.137,1186 0.084,1187 0.065,1188 4.281,1189 0.071,1190 3.96,1191 0.05,1192 6.733,1193 0.222,1194 4.129,1195 0.062,1196 3.161,1197 3.48,1198 2.472,1199 10.882,1200 3.053,1201 1.925,1202 1.895,1203 2.055,1204 2.024,1205 1.323,1206 2.032,1207 1.904,1208 1.876,1209 2.034,1210 2.01,1211 1.246,1212 2.013,1213 1.807,1214 1.76,1215 2.01,1216 1.983,1217 1.229,1218 1.991,1219 1.72,1220 1.674,1221 1.913,1222 1.913,1223 1.208,1224 1.915,1225 1.646,1226 1.602,1227 1.864,1228 1.847,1229 1.133,1230 1.843,1231 1.538,1232 1.483,1233 1.753,1234 1.739,1235 0.985,1236 1.76,1237 1.455,1238 1.413,1239 1.656,1240 1.709,1241 0.878,1242 1.686,1243 1.388,1244 1.336,1245 1.645,1246 1.674,1247 0.787,1248 1.657,1249 4.595,1251 5.883,1252 2.398,1253 7.347,1254 4.595,1255 8.888,1256 6.605,1257 10.474,1259 4.809,1264 9.368,1265 0.978,1266 7.922,1267 10.189,1270 -4.689,1271 1.304,1273 55.055,1274 142.491,1275 322.79,1276 455.706,1277 520.435,1278 537.945,1279 543.945,1280 235.541,1281 7.805,1282 180.44,1283 180.44,1284 17,1285 12.779,1286 4.248,1287 3.7,1288 113.039,1289 263,1290 309,1291 0.197,1292 342.744,1293 629.31,1294 828.056,1295 29340,1297 34.346,1298 0.731,1299 0.574,1300 34.346,1301 26.978,1302 22.531,1303 0.46,1304 0.322,1305 15.5,1306 21.496,1307 15.139,1308 12.593,1309 22.531,1310 15.755,1311 19.632,1312 0.302,1313 0.177,1314 19.632,1315 11.527,1316 15.621,1317 0.195,1318 0.102,1319 15.621,1320 8.166,1321 11.826,1322 0.123,1323 0.056,1324 11.826,1325 5.337,1326 9.194,1327 0.083,1328 0.03,1329 9.194,1330 3.284,1331 0.313,1332 143.015,1333 0.179,1334 41.002,1335 0.533,1336 228,1337 796.678,1338 259.272,1339 740.131,1340 954.08,1341 684,1342 259,1343 644.933,1344 287.789,1345 642.675,1346 929.23,1347 601,1348 7.469}
{0 CHEMBL365134,1 1.728,2 8.045,3 4.362,4 19.023,5 90.988,6 11.633,7 0.64,8 3.608,9 3.67,10 3.611,11 3.388,12 4.788,13 3.332,14 4.108,15 4.196,16 4.093,17 3.822,18 5.293,19 3.744,20 4.326,21 4.438,22 4.228,23 3.89,24 5.662,25 3.79,26 4.309,27 4.449,28 4.188,29 3.829,30 5.499,31 3.699,32 4.155,33 4.265,34 4.13,35 3.624,36 5.558,37 3.516,38 4.001,39 4.161,40 4.017,41 3.498,42 5.216,43 3.373,44 3.809,45 3.942,46 3.674,47 3.394,48 5.047,49 3.294,50 3.714,51 3.833,52 3.51,53 3.244,54 5.049,55 3.156,56 0.035,57 0.336,58 0.621,59 2.24,60 4.839,61 2.534,62 0.128,63 0.614,64 2.357,65 4.145,66 9.141,67 4.429,68 0.299,69 0.799,70 17.881,71 7.245,72 43.669,73 7.06,74 0.231,75 0.798,76 15.893,77 7.247,78 33.292,79 6.967,80 0.332,81 0.635,82 26.152,83 6.981,84 40.12,85 5.585,86 0.231,87 0.611,88 19.703,89 5.884,90 33.276,91 5.339,92 0.134,93 0.467,94 14.125,95 4.609,96 16.374,97 4.53,98 0.105,99 0.385,100 4.572,101 3.44,102 16.473,103 3.651,105 10,106 37,107 0.315,108 0.615,109 0.735,110 0.872,111 0.899,112 0.899,113 3.148,114 1.006,115 -4.99,116 -4.89,117 -4.58,118 1,120 53.1,126 1,140 8,141 2,142 2,147 2,152 1,153 1,165 8,167 1,168 2,176 11,181 2,182 7,190 9,195 4,203 3,207 9,215 2,220 5,227 7,231 3,239 7,245 4,253 9,258 2,266 8,270 590,271 14.93,272 14.93,273 14.93,274 14.93,275 14.93,276 12.855,277 12.303,278 8.57,279 15.287,280 12.324,281 12.324,282 12.324,283 12.324,284 12.324,285 9.075,286 16.071,287 4.056,288 12.985,289 3.272,290 1.625,291 0.961,292 0.211,293 0.063,294 0.063,295 3.844,301 1,302 1,303 394,304 2.345,306 77.997,307 104.14,310 153.243,313 1.054,314 22.585,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 46.25,326 177,327 4.648,328 3.996,329 7.084,330 4.335,331 3.361,332 4.403,333 1.23,334 12.174,335 3.279,336 4.453,337 3.148,338 6.245,339 3.916,340 2.976,341 4.234,342 0.521,343 9.484,344 2.796,345 3.81,346 3.053,347 5.863,348 3.363,349 2.413,350 3.196,352 7.632,353 2.25,354 3.558,355 2.941,356 5.671,357 3.227,358 2.261,359 2.875,361 7.301,362 2.163,363 3.295,364 2.435,365 5.081,366 2.872,367 1.915,368 2.527,370 5.875,371 1.805,372 3.032,373 2.092,374 4.624,375 2.483,376 1.532,377 2.298,379 4.312,380 1.437,381 2.926,382 1.736,383 4.414,384 2.458,385 1.501,386 2.064,388 4.268,389 1.397,390 2.838,391 1.532,392 3.752,393 2.353,394 1.366,395 1.988,397 2.977,398 1.34,399 2.651,400 1.401,401 3.604,402 2.155,403 1.194,404 1.635,406 2.769,407 1.07,408 1.945,409 1.158,410 3.2,411 1.381,412 0.347,413 0.521,415 0.86,416 0.329,417 1.847,418 0.446,419 3,420 1.264,421 0.309,422 0.459,424 0.761,425 0.305,426 1.118,427 0.347,428 2.68,429 0.718,430 -0.142,431 -0.172,433 -0.361,434 -0.088,435 0.893,436 0.008,437 2.472,438 0.397,439 -0.536,440 -0.734,442 -1.299,443 -0.456,444 0.738,445 -0.122,446 2.326,447 0.265,448 -0.719,449 -0.97,451 -1.867,452 -0.702,453 0.5,454 -0.738,455 2,456 0.039,457 -0.961,458 -1.34,460 -2.572,461 -0.894,462 11.733,463 0.533,464 0.61,465 0.028,466 31.25,467 1.42,468 17.5,469 0.795,470 13.75,471 0.625,472 17.328,473 0.788,474 20.667,475 0.646,476 19.107,477 0.869,478 5.806,479 0.264,480 4.842,481 0.22,482 0.17,484 0.375,490 0.537,491 0.93,492 0.472,493 0.642,494 0.488,495 0.67,496 0.611,497 0.924,498 0.573,499 0.7,500 0.563,501 0.754,502 0.662,503 1.221,504 0.96,505 1.201,506 0.67,507 1.063,508 1.17,509 1.068,510 1.121,511 1.039,512 1.072,513 1.048,514 1.424,515 1.132,516 1.579,517 1.436,518 1.549,519 1.213,520 1.208,521 0.822,522 0.522,523 0.659,524 1.287,525 0.735,526 1.023,527 0.749,528 1.124,529 0.948,530 0.935,531 0.817,532 1.129,533 1.01,534 0.803,535 0.927,536 1.182,537 1.06,538 4,539 0.005,540 2.667,541 2.84,542 1.241,543 0.744,544 0.301,545 0.438,546 0.163,547 0.07,548 4887,549 15878,550 2.148,551 31.3,553 10,560 1.648,561 2,562 3.005,563 -0.762,565 1,569 55.294,570 1.728,571 3.375,572 4.039,573 4.789,574 4.938,575 4.938,576 2.379,577 4.005,578 4.436,579 3.134,580 723.939,581 7.631,582 7707.37,584 1,586 1,587 160,588 1.437,589 4.388,590 0.16,591 0.002,592 0.072,593 0.077,594 0.04,595 0.029,596 0.013,597 0.02,598 0.009,599 0.007,600 0.429,601 0.5,602 1,603 0.595,604 99.07,605 -0.016,606 -0.051,607 0.001,608 0.02,609 -0.034,610 0.024,611 0.043,612 0.049,613 0.008,614 0.06,615 -0.013,616 0.009,617 0.247,618 -0.224,619 -0.057,620 -0.215,621 0.201,622 -0.141,623 -0.156,624 -0.058,625 -0.047,626 -0.016,627 -0.086,628 -0.058,629 -0.027,630 -0.155,631 -0.139,632 -0.289,633 -0.068,634 -0.231,635 -0.082,636 0.234,637 0.222,638 0.346,639 -0.117,640 0.298,641 -0.107,642 0.206,643 -0.065,644 0.061,645 -0.023,646 0.175,647 -0.116,648 -0.165,649 -0.012,650 -0.092,651 -0.038,652 -0.142,653 2.126,654 5.294,655 0.818,656 14.165,657 1.015,658 1.086,659 3.758,660 14.122,661 0.804,662 3.258,663 3.638,664 3.989,665 4.317,666 4.522,667 4.564,668 4.691,669 4.86,670 4.86,671 4.89,672 4.976,673 0.759,674 372.25,675 3.258,676 4.828,677 5.72,678 6.635,679 7.544,680 8.463,681 9.377,682 10.298,683 11.216,684 12.137,685 3.1,692 1,698 2,699 8,703 1,704 4,706 16,708 1,719 1,720 32,723 18,724 2,725 25,726 1,727 35,728 17,729 14,730 5,731 7,732 2,735 4,736 6,749 16,750 1,754 2,759 2,763 2,765 1,768 10,769 3,771 5,772 2,775 1,780 0.5,781 2,788 2,789 2,792 2,801 1,813 2,815 1,816 1,821 22,828 1,834 1,837 1,839 1,840 6.3,843 2,847 11,848 6.01,849 4.694,850 1.895,851 3.293,852 1.448,853 1.063,854 3.298,855 10.645,856 3.584,857 4.245,858 4.902,859 5.51,860 6.011,861 6.243,862 6.625,863 7.04,864 7.118,865 7.462,866 1,867 37,868 8.17,870 3.663,871 7.837,872 15.475,874 13.288,877 2.337,878 51.417,882 117.711,883 132.706,884 49.078,886 50.29,888 31.278,889 147.382,890 168.001,891 3.124,893 5.23,894 75.81,895 60.128,896 11.57,897 2.104,898 148.989,899 45.954,900 117.711,901 104.553,902 50.29,903 31.278,904 45.954,905 117.711,906 50.29,909 5.23,910 99.323,912 77.232,913 117.711,914 53.414,915 178.66,918 117.711,919 56.896,920 78.934,921 45.954,922 50.29,923 117.711,924 53.414,925 178.66,927 0.596,928 0.368,929 0.21,930 0.112,931 21,932 9,933 0.057,934 2,935 2,936 1.222,937 3.397,938 186.441,939 0.222,940 18,941 98.107,942 1,945 13.951,946 5.2,947 2.208,948 2.343,949 53.414,950 15.506,954 1.647,955 2.978,958 349.785,959 35,964 24.407,968 -0.892,969 32.48,970 34.755,971 0.346,972 0.675,973 0.808,974 0.958,975 0.988,976 0.988,977 4.836,978 1.366,979 5.733,980 4.268,981 4.317,982 4.931,983 1.487,984 6.619,985 4.222,986 6.075,987 1.194,988 7.339,989 2.977,990 4.007,991 4.832,992 0.325,993 7.642,994 3.843,995 7.41,996 0.347,997 9.046,998 2.769,999 5.979,1000 7.205,1001 1.615,1002 10.812,1003 5.81,1004 8.783,1005 0.309,1006 10.812,1007 0.86,1008 6.509,1009 7.945,1010 0.74,1011 12.7,1012 6.286,1013 10.19,1014 -0.142,1015 12.617,1016 0.761,1017 7.971,1018 9.793,1019 1.853,1020 15.399,1021 7.739,1022 11.622,1023 -0.536,1024 14.449,1025 -0.361,1026 8.879,1027 10.924,1028 1.168,1029 17.648,1030 8.609,1031 13.073,1032 -0.719,1033 16.301,1034 -1.299,1035 10.157,1036 12.557,1037 2.14,1038 20.198,1039 9.872,1040 3.361,1041 -0.961,1042 18.17,1043 -1.867,1044 11.231,1045 13.87,1046 1.605,1047 22.594,1048 10.916,1049 2.976,1050 12.174,1051 20.052,1052 -2.572,1053 12.446,1054 15.411,1055 2.456,1056 25.101,1057 12.114,1058 2.413,1059 9.484,1060 21.944,1061 4.403,1062 13.588,1063 16.808,1064 2.049,1065 27.555,1066 13.232,1067 2.261,1068 7.632,1069 23.846,1070 4.234,1071 14.786,1072 18.308,1073 2.793,1074 30.051,1075 14.41,1076 1.915,1077 7.301,1078 25.756,1079 3.196,1080 15.959,1081 19.743,1082 2.494,1083 32.53,1084 15.562,1085 1.532,1086 5.875,1087 27.673,1088 2.875,1089 17.153,1090 21.226,1091 3.145,1092 35.024,1093 16.736,1094 1.501,1095 4.312,1096 29.595,1097 2.527,1098 18.34,1099 22.679,1100 2.938,1101 37.513,1102 17.902,1103 4602,1104 8418,1105 16.819,1106 25.722,1107 39.208,1108 40.734,1109 39.957,1110 38.671,1111 38.352,1112 52.4,1113 3.503,1114 116.826,1115 36.341,1116 5.553,1117 5.996,1118 6.767,1119 5.455,1120 5.361,1121 7.403,1122 2.335,1123 19.631,1124 5.279,1125 9.566,1126 1.568,1127 1.629,1128 1.598,1129 1.547,1130 1.534,1131 2.096,1132 0.14,1133 4.673,1134 1.454,1135 4.096,1136 4.106,1137 6.88,1138 4.112,1139 7.497,1140 4.06,1141 3.984,1142 3.995,1143 4.33,1144 3.93,1145 7.352,1146 3.924,1147 3.507,1148 3.543,1149 3.92,1150 3.415,1151 4.87,1152 3.393,1153 3.364,1154 3.373,1155 3.483,1156 3.252,1157 4.701,1158 3.253,1159 3.011,1160 3.05,1161 3.345,1162 2.934,1163 4.212,1164 2.889,1165 2.899,1166 2.947,1167 2.966,1168 2.851,1169 3.838,1170 2.803,1171 2.773,1172 2.82,1173 2.85,1174 2.69,1175 3.728,1176 2.65,1177 2.607,1178 2.611,1179 2.563,1180 2.419,1181 3.695,1182 2.444,1183 0.186,1184 0.16,1185 0.283,1186 0.173,1187 0.134,1188 4.648,1189 0.176,1190 3.996,1191 0.049,1192 7.084,1193 0.487,1194 4.335,1195 0.131,1196 3.361,1197 4.403,1198 1.23,1199 12.174,1200 3.279,1201 1.919,1202 1.902,1203 2.009,1204 1.973,1205 1.139,1206 1.992,1207 1.878,1208 1.862,1209 1.933,1210 1.94,1211 1.117,1212 1.951,1213 1.597,1214 1.579,1215 1.68,1216 1.754,1217 0.956,1218 1.743,1219 1.305,1220 1.314,1221 1.344,1222 1.465,1223 0.417,1224 1.447,1225 1.013,1226 0.968,1227 1.217,1228 1.188,1229 0.279,1230 1.201,1231 0.947,1232 0.924,1233 1.091,1234 1.018,1235 0.254,1236 1.077,1237 0.788,1238 0.752,1239 0.924,1240 0.937,1241 0.124,1242 0.961,1243 0.735,1244 0.694,1245 0.905,1246 0.884,1248 0.924,1249 3.932,1251 5.293,1252 3.045,1253 6.851,1254 5.533,1255 8.498,1256 7.727,1257 10.191,1258 3.448,1265 0.416,1271 1.562,1273 24.297,1274 55.294,1275 108,1276 129.245,1277 153.245,1278 158,1279 158,1280 35.334,1281 7.352,1282 39.07,1283 67.31,1284 22,1285 12.646,1286 4.248,1287 3.459,1288 29.822,1289 65,1290 58,1291 0.228,1292 155.752,1293 263.13,1294 371.794,1295 14674,1296 3.1,1297 15.267,1298 0.694,1299 0.626,1300 16.621,1301 13.778,1302 10.648,1303 0.426,1304 0.335,1305 6.838,1306 9.428,1307 6.571,1308 5.375,1309 11.633,1310 8.381,1311 9.909,1312 0.268,1313 0.193,1314 11.32,1315 7.13,1316 8.967,1317 0.169,1318 0.103,1319 10.394,1320 5.472,1321 7.772,1322 0.105,1323 0.059,1324 9.319,1325 4.367,1326 6.324,1327 0.069,1328 0.033,1329 7.747,1330 2.98,1331 0.345,1332 78.033,1333 0.244,1334 21.211,1335 0.663,1336 124,1337 366.631,1338 222.559,1339 414.977,1340 557.18,1341 386,1342 152,1343 366.27,1344 217.33,1345 401.318,1346 598.4,1347 379,1348 4.983}
{0 CHEMBL366721,1 1.747,2 15.592,3 2.258,4 5.097,5 168.377,6 7.816,7 0.235,8 4.56,9 4.675,10 4.12,11 4.014,12 5.781,13 4.024,14 5.12,15 5.28,16 4.549,17 4.4,18 6.512,19 4.394,20 5.457,21 5.644,22 4.642,23 4.56,24 6.891,25 4.533,26 5.542,27 5.761,28 4.686,29 4.549,30 6.875,31 4.545,32 5.539,33 5.719,34 4.757,35 4.556,36 7.065,37 4.585,38 5.577,39 5.768,40 4.838,41 4.654,42 7.059,43 4.667,44 5.681,45 5.869,46 4.922,47 4.712,48 7.195,49 4.73,50 5.735,51 5.931,52 4.86,53 4.719,54 7.248,55 4.725,56 0.32,57 1.369,58 16.747,59 7.933,60 56.116,61 9.757,62 1.132,63 2.283,64 33.821,65 13.196,66 176.84,67 17.287,68 2.107,69 2.61,70 52.957,71 16.659,72 328.179,73 22.163,74 1.95,75 2.745,76 61.045,77 17.02,78 332.902,79 23.634,80 2.585,81 2.888,82 59.551,83 15.947,84 414.101,85 19.851,86 2.238,87 3.149,88 60.806,89 18.853,90 380.296,91 23.839,92 2.59,93 3.448,94 68.373,95 20.976,96 444.534,97 26.358,98 3.271,99 3.491,100 75.493,101 20.59,102 573.611,103 25.555,105 217,106 73,107 0.261,108 0.586,109 0.774,110 0.858,111 0.869,112 0.869,113 3.915,114 0.905,115 -1.84,116 -1.9,117 -1.91,120 37.5,121 3,122 5,126 1,128 3,130 1,131 1,140 9,141 2,142 1,151 1,153 5,154 1,158 1,159 1,160 1,162 1,164 1,165 13,166 1,167 2,168 7,170 1,171 6,173 6,176 15,177 1,179 1,181 1,182 7,185 4,187 8,190 7,192 2,194 1,195 15,198 1,200 8,201 1,203 1,205 1,206 6,207 10,208 2,210 4,211 3,212 6,214 1,215 3,217 1,219 3,220 11,221 2,223 3,224 1,225 3,227 7,230 4,231 22,233 1,234 4,236 5,239 8,240 2,244 4,245 10,246 1,248 3,250 8,251 1,253 9,254 3,257 2,258 11,260 1,261 4,262 1,263 7,266 18,270 6161,271 30.979,272 30.979,273 30.979,274 30.979,275 30.979,276 28.554,277 36.444,278 17.999,279 31.383,280 25.097,281 25.097,282 25.097,283 25.097,284 25.097,285 21.19,286 40.277,287 8.526,288 25.76,289 4.713,290 2.538,291 1.282,292 0.719,293 0.651,294 0.651,295 4.583,303 1556,304 6.964,306 179.948,307 411.215,313 2.383,314 120.917,317 0.25,318 0.33,319 0.33,320 0.7,321 1,322 0.17,324 0.4,325 112.5,326 764,327 4.636,328 4.651,329 7.669,330 4.453,331 3.521,332 3.856,333 3.524,334 13.519,335 3.276,336 4.273,337 3.951,338 6.731,339 4.122,340 3.163,341 3.753,342 2.341,343 10.873,344 3.036,345 4.192,346 3.766,347 6.446,348 4.062,349 3.118,350 3.454,351 2.19,352 10.155,353 2.923,354 4.154,355 3.65,356 6.066,357 3.821,358 2.82,359 3.421,360 2.012,361 8.639,362 2.82,363 3.948,364 3.591,365 5.982,366 3.704,367 2.719,368 3.208,369 1.944,370 8.475,371 2.668,372 3.833,373 3.507,374 5.909,375 3.584,376 2.593,377 3.012,378 1.899,379 8.07,380 2.566,381 3.669,382 3.473,383 5.372,384 3.339,385 2.347,386 2.94,387 1.267,388 6.822,389 2.321,390 3.542,391 3.17,392 5.242,393 3.22,394 2.238,395 2.704,396 0.98,397 6.5,398 2.189,399 3.493,400 2.923,401 5.156,402 3.172,403 2.179,404 2.634,405 0.635,406 5.967,407 2.131,408 3.411,409 2.687,410 4.796,411 3.061,412 2.068,413 2.545,414 0.366,415 5.284,416 2.023,417 3.045,418 2.578,419 4.668,420 2.778,421 1.777,422 2.099,423 0.207,424 4.85,425 1.758,426 2.939,427 2.525,428 4.577,429 2.538,430 1.536,431 2.041,432 0.086,433 4.003,434 1.527,435 2.833,436 2.104,437 4.024,438 2.395,439 1.405,440 1.919,441 0.05,442 3.193,443 1.381,444 2.641,445 1.983,446 3.794,447 2.3,448 1.298,449 1.596,451 3.068,452 1.29,453 2.53,454 1.803,455 3.644,456 2.213,457 1.208,458 1.5,460 2.876,461 1.197,462 22.071,463 0.45,464 1.788,465 0.036,466 54,467 1.102,468 23,469 0.469,470 31,471 0.633,472 58.702,473 1.198,474 57.129,475 0.649,476 64.046,477 1.307,478 10.925,479 0.223,480 11.959,481 0.244,482 0.233,483 0.045,484 0.313,486 2,490 0.688,491 1.229,492 0.755,493 1.191,494 0.622,495 1.024,496 0.518,497 1.176,498 0.725,499 1.188,500 0.498,501 1.06,502 0.884,503 0.983,504 1.026,505 1.079,506 0.799,507 1.101,508 1.045,509 1.055,510 0.88,511 0.971,512 1.085,513 0.886,514 1.391,515 1.081,516 1.165,517 0.884,518 1.414,519 0.926,520 1.094,521 1.183,522 0.921,523 1.006,524 1.074,525 0.919,526 1.169,527 1.292,528 0.944,529 1.105,530 1.188,531 0.983,532 1.426,533 1.069,534 1.169,535 0.868,536 1.423,537 0.917,538 14,539 0.415,540 6.444,541 4.243,542 3.223,543 2.33,544 2.082,545 1.484,546 1.182,547 0.715,548 39554,549 137129,550 1.895,551 44.3,553 14,556 6,557 2,558 17,560 1.854,561 1.709,562 3.888,563 2.821,569 153.695,570 1.747,571 3.921,572 5.177,573 5.74,574 5.808,575 5.808,576 3.33,577 5.273,578 5.584,579 4.118,580 4842.57,581 9.97,582 97399.2,587 568.43,588 1.751,589 5.49,590 0.275,591 0.006,592 0.088,593 0.057,594 0.04,595 0.028,596 0.022,597 0.015,598 0.013,599 0.009,600 0.552,601 0.17,602 0.63,603 1.598,604 292.392,605 -0.078,606 -0.065,608 -0.001,609 -0.071,610 0.025,611 0.232,612 -0.053,613 0.13,614 -0.082,615 0.171,616 -0.031,617 0.069,618 0.021,619 -0.079,620 -0.072,621 0.071,622 -0.123,623 -0.064,624 -0.094,625 0.117,626 -0.01,627 -0.073,628 0.091,629 -0.137,630 0.029,631 -0.143,632 0.052,633 -0.121,634 -0.027,635 -0.005,636 -0.049,637 0.067,638 0.001,639 0.027,640 0.05,641 0.007,642 -0.144,643 0.068,644 -0.091,645 0.005,646 -0.012,647 -0.135,648 0.078,649 -0.119,650 0.091,651 -0.106,652 0.011,653 5.917,654 7.467,655 0.347,656 70.85,657 1.027,658 1.142,659 0.608,660 0.369,661 0.633,662 3.951,663 4.304,664 4.466,665 4.654,666 4.779,667 4.852,668 4.963,669 5.017,670 5.088,671 5.056,672 9.471,673 0.623,674 687.77,675 3.951,676 5.517,677 6.34,678 7.223,679 8.069,680 8.954,681 9.81,682 10.697,683 11.561,684 12.449,685 5.7,692 5,699 9,704 3,706 12,709 1,720 88,723 19,724 2,725 51,727 90,728 33,729 12,730 3,731 9,732 1,735 3,736 3,741 3,743 1,745 3,748 9,749 19,750 14,751 1,754 7,759 7,763 7,766 2,768 39,769 16,770 6,771 16,775 5,780 1,781 9,786 1,788 1,789 2,798 1,800 2,801 1,802 1,810 1,811 1,813 3,817 3,819 2,821 49,822 1,827 1,828 6,829 3,830 1,833 3,834 1,835 2,839 2,840 10.2,842 1,843 7,845 1,847 28.667,848 16.102,849 10.625,850 5.067,851 1.432,852 1.181,853 0.904,854 13.544,855 9.347,856 4.174,857 4.663,858 5.004,859 5.365,860 5.719,861 5.724,862 5.962,863 6.048,864 6.215,865 6.222,866 1,867 75,868 19.344,870 9.515,871 8.442,872 32.917,874 26.638,877 2.942,878 144.167,882 388.446,883 169.117,884 90.054,886 229.698,887 29.92,889 169.117,890 618.144,891 119.974,892 26.476,893 104.832,894 85.286,895 243.56,896 51.872,897 6.763,898 388.446,900 388.446,901 259.17,902 259.618,905 188.338,906 459.727,908 1.824,909 131.308,910 126.039,913 418.367,914 319.751,915 169.117,918 390.27,919 55.531,920 114.886,921 54.032,922 292.515,923 388.446,924 349.672,925 169.117,927 0.593,928 0.321,929 0.159,930 0.082,931 29,932 18,933 0.178,934 16,936 1,937 5.192,938 511.593,940 17,941 264.366,945 39.207,946 16.927,947 11.419,949 349.672,950 12.724,955 0.069,957 129.613,958 907.235,959 64,964 88.434,968 -8.844,969 90.385,970 100.529,971 0.27,972 0.607,973 0.802,974 0.889,975 0.899,976 0.899,977 5.455,978 2.238,979 6.392,980 6.822,981 4.99,982 5.352,983 4.12,984 7.244,985 4.936,986 6.668,987 2.179,988 7.997,989 6.5,990 4.89,991 5.286,992 4.097,993 8.483,994 4.768,995 7.985,996 2.068,997 9.717,998 5.967,999 6.688,1000 7.357,1001 5.724,1002 11.496,1003 6.549,1004 9.331,1005 1.777,1006 11.505,1007 5.284,1008 7.347,1009 7.99,1010 6.516,1011 13.545,1012 7.124,1013 10.705,1014 1.536,1015 13.34,1016 4.85,1017 8.722,1018 9.645,1019 7.819,1020 16.211,1021 8.468,1022 12.1,1023 1.405,1024 15.209,1025 4.003,1026 9.691,1027 10.575,1028 8.924,1029 18.575,1030 9.352,1031 13.511,1032 1.298,1033 17.105,1034 3.193,1035 10.935,1036 12.075,1037 10.173,1038 21.162,1039 10.549,1040 3.521,1041 1.208,1042 19.023,1043 3.068,1044 12.039,1045 13.155,1046 11.383,1047 23.656,1048 11.568,1049 3.163,1050 13.519,1051 20.958,1052 2.876,1053 13.248,1054 14.582,1055 12.632,1056 26.232,1057 12.716,1058 3.118,1059 10.873,1060 22.908,1061 3.856,1062 14.413,1063 15.749,1064 13.875,1065 28.781,1066 13.799,1067 2.82,1068 10.155,1069 24.872,1070 3.753,1071 15.619,1072 17.137,1073 15.129,1074 31.363,1075 14.936,1076 2.719,1077 8.639,1078 26.846,1079 3.454,1080 16.814,1081 18.359,1082 16.383,1083 33.938,1084 16.05,1085 2.593,1086 8.475,1087 28.83,1088 3.421,1089 18.027,1090 19.724,1091 17.64,1092 36.526,1093 17.189,1094 2.347,1095 8.07,1096 30.822,1097 3.208,1098 19.239,1099 20.982,1100 18.898,1101 39.114,1102 18.321,1103 39643,1104 74074,1105 31.323,1106 55.699,1107 78.427,1108 81.765,1109 79.915,1110 76.991,1111 76.738,1112 92.61,1113 34.997,1114 225.349,1115 74.906,1116 5.625,1117 6.651,1118 7.471,1119 5.527,1120 5.521,1121 6.856,1122 5.246,1123 21.707,1124 5.276,1125 37.173,1126 1.538,1127 1.603,1128 1.567,1129 1.51,1130 1.505,1131 1.816,1132 0.686,1133 4.419,1134 1.469,1135 4.008,1136 4.045,1137 3.949,1138 3.899,1139 8.363,1140 3.901,1141 3.923,1142 3.956,1143 3.864,1144 3.847,1145 7.999,1146 3.845,1147 3.896,1148 3.934,1149 3.82,1150 3.751,1151 7.475,1152 3.763,1153 3.771,1154 3.81,1155 3.717,1156 3.584,1157 7.443,1158 3.599,1159 3.729,1160 3.755,1161 3.659,1162 3.544,1163 7.435,1164 3.567,1165 3.677,1166 3.722,1167 3.558,1168 3.515,1169 7.43,1170 3.516,1171 3.467,1172 3.511,1173 3.402,1174 3.218,1175 7.425,1176 3.256,1177 3.428,1178 3.455,1179 3.341,1180 3.155,1181 7.422,1182 3.2,1183 0.091,1184 0.091,1185 0.15,1186 0.087,1187 0.069,1188 4.636,1189 0.076,1190 4.651,1191 0.069,1192 7.669,1193 0.265,1194 4.453,1195 0.064,1196 3.521,1197 3.856,1198 3.524,1199 13.519,1200 3.276,1201 1.929,1202 1.901,1203 2.057,1204 2.038,1205 1.253,1206 2.039,1207 1.908,1208 1.883,1209 2.007,1210 2.008,1211 1.233,1212 2.01,1213 1.752,1214 1.71,1215 1.951,1216 1.968,1217 1.209,1218 1.953,1219 1.689,1220 1.644,1221 1.912,1222 1.888,1223 1.117,1224 1.897,1225 1.665,1226 1.624,1227 1.865,1228 1.86,1229 1.09,1230 1.851,1231 1.575,1232 1.532,1233 1.764,1234 1.769,1235 0.986,1236 1.773,1237 1.483,1238 1.432,1239 1.653,1240 1.73,1241 0.899,1242 1.708,1243 1.321,1244 1.281,1245 1.454,1246 1.607,1247 0.574,1248 1.568,1249 4.635,1251 5.979,1252 2.398,1253 7.486,1254 4.595,1255 9.068,1256 6.605,1257 10.693,1259 4.76,1261 30.933,1263 5.207,1264 9.191,1265 -0.91,1266 6.54,1267 5.193,1270 -4.611,1271 1.083,1272 -5.604,1273 54.789,1274 153.695,1275 345.052,1276 455.597,1277 505.146,1278 511.146,1279 511.146,1280 301.811,1281 7.916,1282 214.3,1283 214.3,1284 17,1285 12.985,1286 4.322,1287 3.807,1288 120.908,1289 273,1290 283,1291 0.207,1292 339.415,1293 632.51,1294 819.934,1295 31182,1296 2.3,1297 36.518,1298 0.745,1299 0.554,1300 34.725,1301 27.165,1302 22.884,1303 0.449,1304 0.302,1305 15.103,1306 21.705,1307 14.753,1308 12.192,1309 22.123,1310 15.383,1311 22.451,1312 0.308,1313 0.17,1314 21.258,1315 12.41,1316 16.195,1317 0.188,1318 0.086,1319 14.672,1320 7.39,1321 12.535,1322 0.121,1323 0.049,1324 12.223,1325 5.096,1326 9.059,1327 0.077,1328 0.026,1329 8.795,1330 3.098,1331 0.326,1332 146.234,1333 0.179,1334 41.976,1335 0.566,1336 248,1337 1010.21,1338 291.41,1339 896.17,1340 1138.09,1341 820,1342 283,1343 769.636,1344 322.597,1345 754.182,1346 1105.61,1347 705,1348 5.914}
{0 CHEMBL367094,1 1.757,2 15.5,3 2.539,4 6.445,5 161.8,6 8.032,7 0.24,8 4.521,9 4.625,10 4.102,11 3.973,12 5.769,13 3.991,14 5.076,15 5.227,16 4.538,17 4.357,18 6.52,19 4.362,20 5.413,21 5.591,22 4.63,23 4.517,24 6.877,25 4.502,26 5.504,27 5.714,28 4.69,29 4.5,30 6.889,31 4.512,32 5.49,33 5.656,34 4.754,35 4.5,36 7.108,37 4.545,38 5.523,39 5.707,40 4.818,41 4.599,42 7.044,43 4.623,44 5.625,45 5.802,46 4.88,47 4.639,48 7.14,49 4.678,50 5.669,51 5.854,52 4.843,53 4.631,54 7.31,55 4.656,56 0.379,57 1.296,58 15.229,59 7.69,60 63.956,61 9.011,62 1.23,63 2.19,64 31.135,65 12.561,66 193.787,67 15.943,68 2.161,69 2.515,70 49.243,71 15.933,72 334.398,73 20.503,74 2.136,75 2.629,76 58.373,77 16.523,78 354.028,79 22.218,80 2.803,81 2.747,82 55.371,83 15.101,84 459.389,85 17.807,86 2.365,87 3.005,88 56.575,89 18.098,90 406.672,91 22.249,92 2.593,93 3.27,94 63.445,95 19.483,96 457.498,97 23.139,98 3.652,99 3.22,100 70.233,101 19.029,102 630.503,103 22.638,105 214,106 72,107 0.265,108 0.595,109 0.775,110 0.858,111 0.869,112 0.869,113 3.895,114 0.889,115 -2.06,116 -2.11,117 -2.1,120 38.1,121 3,122 4,126 1,128 3,130 1,131 1,140 9,141 2,142 1,151 1,153 5,154 1,162 2,164 2,165 12,166 2,167 2,168 7,171 6,173 6,176 15,177 2,181 1,182 6,185 4,187 6,188 1,190 7,191 1,194 1,195 13,196 2,198 2,199 1,200 8,201 1,203 1,204 1,206 8,207 8,208 2,210 5,211 2,212 6,215 3,219 3,220 11,221 1,223 3,224 1,225 3,227 5,228 2,230 2,231 23,232 1,234 2,236 6,237 1,239 5,240 3,244 5,245 11,246 1,248 5,249 1,250 9,253 9,257 1,258 8,261 2,263 4,264 1,266 17,267 2,270 5864,271 30.272,272 30.272,273 30.272,274 30.272,275 30.272,276 27.847,277 34.476,278 17.543,279 30.702,280 24.614,281 24.614,282 24.614,283 24.614,284 24.614,285 20.717,286 37.839,287 8.305,288 25.315,289 4.635,290 2.45,291 1.254,292 0.706,293 0.634,294 0.634,295 4.563,303 1517,304 6.892,306 175.676,307 402.024,313 2.333,314 123.812,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 111,326 744,327 4.636,328 4.651,329 7.669,330 4.453,331 3.521,332 3.856,333 3.524,334 13.519,335 3.276,336 4.277,337 3.959,338 6.733,339 4.125,340 3.165,341 3.753,342 2.341,343 10.881,344 3.04,345 4.192,346 3.769,347 6.446,348 4.062,349 3.119,350 3.455,351 2.19,352 10.155,353 2.923,354 4.154,355 3.671,356 6.073,357 3.815,358 2.82,359 3.427,360 2.012,361 8.677,362 2.797,363 3.95,364 3.58,365 5.983,366 3.716,367 2.73,368 3.208,369 1.944,370 8.485,371 2.679,372 3.851,373 3.563,374 5.915,375 3.594,376 2.605,377 3.029,378 1.899,379 8.102,380 2.573,381 3.672,382 3.473,383 5.372,384 3.338,385 2.349,386 2.946,387 1.437,388 6.823,389 2.316,390 3.53,391 3.169,392 5.25,393 3.21,394 2.238,395 2.69,396 1.267,397 6.514,398 2.161,399 3.463,400 2.923,401 5.173,402 3.101,403 2.109,404 2.601,405 0.635,406 5.992,407 2.069,408 3.407,409 2.687,410 4.819,411 3.059,412 2.057,413 2.544,414 0.366,415 5.403,416 2.021,417 3.011,418 2.569,419 4.674,420 2.725,421 1.719,422 2.095,423 0.207,424 4.507,425 1.71,426 2.931,427 2.529,428 4.473,429 2.533,430 1.533,431 2.003,432 0.086,433 3.957,434 1.522,435 2.831,436 2.049,437 3.956,438 2.388,439 1.402,440 1.912,441 0.05,442 3.08,443 1.37,444 2.635,445 1.982,446 3.79,447 2.221,448 1.222,449 1.587,451 3.027,452 1.205,453 2.53,454 1.805,455 3.643,456 2.177,457 1.188,458 1.5,460 2.857,461 1.163,462 21.505,463 0.448,464 1.788,465 0.037,466 53.5,467 1.115,468 23,469 0.479,470 30.5,471 0.635,472 55.942,473 1.165,474 55.895,475 0.665,476 63.797,477 1.329,478 10.949,479 0.228,480 11.435,481 0.238,482 0.236,483 0.047,484 0.321,486 2,490 0.705,491 1.223,492 0.734,493 1.19,494 0.636,495 1.012,496 0.512,497 1.172,498 0.707,499 1.173,500 0.492,501 1.047,502 0.862,503 0.98,504 1.023,505 1.083,506 0.777,507 1.109,508 1.013,509 1.041,510 0.847,511 0.962,512 1.066,513 0.866,514 1.339,515 1.083,516 1.162,517 0.873,518 1.369,519 0.923,520 1.01,521 1.204,522 0.873,523 1.009,524 1.025,525 0.907,526 1.305,527 1.327,528 1.01,529 1.109,530 1.324,531 0.985,532 1.342,533 1.081,534 1.154,535 0.833,536 1.346,537 0.897,538 14,539 0.415,540 6.222,541 4.368,542 3.223,543 2.386,544 1.971,545 1.638,546 0.898,547 0.735,548 37383,549 135408,550 1.893,551 42.9,553 14,556 5,557 2,558 15,560 1.849,561 1.704,562 3.863,563 2.108,569 147.618,570 1.757,571 3.942,572 5.138,573 5.687,574 5.758,575 5.758,576 3.314,577 5.153,578 5.555,579 4.101,580 4626,581 9.909,582 91356.9,587 536.955,588 1.759,589 5.458,590 0.28,591 0.006,592 0.086,593 0.059,594 0.04,595 0.029,596 0.022,597 0.017,598 0.01,599 0.01,600 0.559,601 0.17,602 0.63,603 1.541,604 284.642,605 -0.083,606 -0.084,607 -0.003,608 -0.007,609 -0.072,610 0.021,611 0.233,612 -0.051,613 0.132,614 -0.079,615 0.179,616 -0.032,617 0.058,618 0.029,619 -0.089,620 -0.083,621 0.064,622 -0.136,623 -0.042,624 -0.084,625 0.155,626 -0.006,627 -0.062,628 0.114,629 -0.102,630 0.039,631 -0.15,632 0.057,633 -0.081,634 -0.037,635 0.033,636 -0.064,637 0.108,638 -0.001,639 0.042,640 0.068,641 -0.127,642 -0.165,643 0.001,644 -0.107,645 -0.111,646 -0.028,647 -0.056,648 0.086,649 -0.098,650 0.112,651 -0.022,652 0.019,653 5.957,654 7.406,655 0.354,656 67.938,657 1.032,658 1.141,659 0.83,660 0.69,661 0.636,662 3.932,663 4.29,664 4.454,665 4.654,666 4.771,667 4.836,668 4.934,669 5.011,670 5.017,671 5.037,672 9.329,673 0.63,674 674.72,675 3.932,676 5.501,677 6.326,678 7.213,679 8.06,680 8.948,681 9.806,682 10.695,683 11.559,684 12.45,685 4.8,692 4,699 9,704 3,706 12,711 1,720 84,723 19,724 2,725 50,727 86,728 32,729 12,730 3,731 9,732 1,735 3,736 3,741 3,743 1,745 3,748 8,749 19,750 13,751 1,754 7,759 7,763 7,766 2,768 36,769 16,770 5,771 16,775 4,780 1,781 10,786 1,788 1,789 2,798 1,800 2,801 1,802 1,810 1,811 2,813 3,817 3,819 2,821 48,827 2,828 5,829 3,830 1,833 3,834 1,835 2,839 2,840 11.9,842 2,843 7,845 1,847 28.167,848 15.469,849 10.375,850 4.784,851 1.447,852 1.184,853 0.89,854 12.934,855 9.323,856 4.159,857 4.654,858 4.997,859 5.369,860 5.726,861 5.717,862 5.944,863 6.058,864 6.178,865 6.216,866 1,867 74,868 19.036,870 9.501,871 8.514,872 32.009,874 25.9,877 3.014,878 144.667,882 364.904,883 162.787,884 57.157,886 272.381,887 29.92,889 162.787,890 637.285,891 87.077,892 26.476,893 69.4,894 85.286,895 282.448,896 51.872,897 6.763,898 364.904,900 364.904,901 219.944,902 302.301,905 188.338,906 478.868,908 1.824,909 95.876,910 122.244,913 394.824,914 329.538,915 162.787,918 366.728,919 49.201,920 114.886,921 54.032,922 302.301,923 364.904,924 359.458,925 162.787,927 0.595,928 0.323,929 0.163,930 0.084,931 29,932 18,933 0.174,934 15,936 1,937 5.112,938 499.022,940 17,941 255.323,945 38.216,946 16.245,947 10.902,949 359.458,950 12.219,955 -0.268,957 139.399,958 887.149,959 63,964 87.97,968 -9.9,969 86.727,970 95.825,971 0.275,972 0.617,973 0.804,974 0.89,975 0.901,976 0.901,977 5.442,978 2.238,979 6.382,980 6.823,981 4.977,982 5.342,983 4.156,984 7.239,985 4.919,986 6.659,987 2.109,988 7.991,989 6.514,990 4.89,991 5.286,992 4.097,993 8.483,994 4.762,995 7.979,996 2.057,997 9.713,998 5.992,999 6.681,1000 7.353,1001 5.746,1002 11.499,1003 6.535,1004 9.326,1005 1.719,1006 11.503,1007 5.403,1008 7.347,1009 7.99,1010 6.516,1011 13.547,1012 7.117,1013 10.702,1014 1.533,1015 13.34,1016 4.507,1017 8.719,1018 9.645,1019 7.826,1020 16.214,1021 8.459,1022 12.098,1023 1.402,1024 15.21,1025 3.957,1026 9.693,1027 10.577,1028 8.924,1029 18.577,1030 9.345,1031 13.51,1032 1.222,1033 17.106,1034 3.08,1035 10.936,1036 12.076,1037 10.175,1038 21.164,1039 10.542,1040 3.521,1041 1.188,1042 19.024,1043 3.027,1044 12.042,1045 13.157,1046 11.383,1047 23.657,1048 11.563,1049 3.165,1050 13.519,1051 20.959,1052 2.857,1053 13.251,1054 14.585,1055 12.632,1056 26.233,1057 12.712,1058 3.119,1059 10.881,1060 22.91,1061 3.856,1062 14.416,1063 15.752,1064 13.875,1065 28.782,1066 13.796,1067 2.82,1068 10.155,1069 24.873,1070 3.753,1071 15.623,1072 17.14,1073 15.129,1074 31.364,1075 14.933,1076 2.73,1077 8.677,1078 26.848,1079 3.455,1080 16.818,1081 18.362,1082 16.383,1083 33.938,1084 16.048,1085 2.605,1086 8.485,1087 28.831,1088 3.427,1089 18.03,1090 19.727,1091 17.64,1092 36.527,1093 17.186,1094 2.349,1095 8.102,1096 30.823,1097 3.208,1098 19.242,1099 20.985,1100 18.898,1101 39.115,1102 18.319,1103 37453,1104 71555,1105 30.63,1106 53.387,1107 77.178,1108 80.187,1109 78.612,1110 75.641,1111 75.359,1112 91.236,1113 35.911,1114 222.525,1115 73.39,1116 5.625,1117 6.651,1118 7.471,1119 5.527,1120 5.521,1121 6.856,1122 5.246,1123 21.707,1124 5.276,1125 36.606,1126 1.544,1127 1.604,1128 1.572,1129 1.513,1130 1.507,1131 1.825,1132 0.718,1133 4.451,1134 1.468,1135 4.005,1136 4.041,1137 3.947,1138 3.897,1139 8.363,1140 3.899,1141 3.921,1142 3.951,1143 3.863,1144 3.845,1145 7.999,1146 3.844,1147 3.895,1148 3.932,1149 3.82,1150 3.747,1151 7.479,1152 3.76,1153 3.765,1154 3.802,1155 3.716,1156 3.572,1157 7.472,1158 3.59,1159 3.728,1160 3.753,1161 3.657,1162 3.542,1163 7.439,1164 3.566,1165 3.652,1166 3.694,1167 3.544,1168 3.478,1169 7.43,1170 3.486,1171 3.455,1172 3.499,1173 3.383,1174 3.212,1175 7.425,1176 3.248,1177 3.328,1178 3.336,1179 3.262,1180 3.018,1181 7.422,1182 3.065,1183 0.093,1184 0.093,1185 0.153,1186 0.089,1187 0.07,1188 4.636,1189 0.077,1190 4.651,1191 0.07,1192 7.669,1193 0.27,1194 4.453,1195 0.066,1196 3.521,1197 3.856,1198 3.524,1199 13.519,1200 3.276,1201 1.929,1202 1.9,1203 2.057,1204 2.037,1205 1.252,1206 2.038,1207 1.904,1208 1.881,1209 2.002,1210 2.003,1211 1.209,1212 2.005,1213 1.73,1214 1.692,1215 1.948,1216 1.958,1217 1.133,1218 1.938,1219 1.687,1220 1.644,1221 1.865,1222 1.886,1223 1.113,1224 1.888,1225 1.649,1226 1.609,1227 1.85,1228 1.85,1229 1.087,1230 1.842,1231 1.575,1232 1.53,1233 1.753,1234 1.766,1235 0.955,1236 1.769,1237 1.441,1238 1.391,1239 1.621,1240 1.697,1241 0.891,1242 1.673,1243 1.3,1244 1.259,1245 1.435,1246 1.562,1247 0.473,1248 1.532,1249 4.615,1251 5.964,1252 2.398,1253 7.475,1254 4.595,1255 9.061,1256 6.605,1257 10.689,1259 4.663,1261 30.812,1264 18.508,1265 -1.095,1266 6.277,1267 5.117,1270 -4.945,1271 0.991,1272 -5.681,1273 52.956,1274 147.618,1275 331.117,1276 431.631,1277 477.67,1278 483.67,1279 483.67,1280 294.887,1281 7.876,1282 208.51,1283 208.51,1284 17,1285 12.984,1286 4.322,1287 3.807,1288 116.906,1289 262,1290 274,1291 0.208,1292 327.025,1293 613,1294 789.701,1295 29551,1296 2.4,1297 35.811,1298 0.746,1299 0.548,1300 34.018,1301 26.327,1302 22.384,1303 0.448,1304 0.296,1305 14.532,1306 21.174,1307 14.202,1308 11.724,1309 21.623,1310 14.818,1311 22.109,1312 0.307,1313 0.167,1314 20.916,1315 12.016,1316 15.854,1317 0.187,1318 0.083,1319 14.331,1320 7.084,1321 12.523,1322 0.12,1323 0.047,1324 12.212,1325 4.925,1326 8.973,1327 0.077,1328 0.025,1329 8.709,1330 2.938,1331 0.327,1332 143.523,1333 0.181,1334 41.287,1335 0.568,1336 244,1337 1029.05,1338 288.597,1339 910.087,1340 1152.13,1341 832,1342 279,1343 775.821,1344 319.425,1345 759.146,1346 1114.4,1347 709,1348 4}
{0 CHEMBL369234,1 1.981,2 9.48,3 2.63,4 6.918,5 93.204,6 10.926,7 0.222,8 3.737,9 3.78,10 3.645,11 3.275,12 5.084,13 3.297,14 4.25,15 4.322,16 4.126,17 3.664,18 5.748,19 3.671,20 4.304,21 4.368,22 4.082,23 3.753,24 5.74,25 3.741,26 4.424,27 4.51,28 4.062,29 3.745,30 5.922,31 3.717,32 4.373,33 4.476,34 4.178,35 3.597,36 6.049,37 3.618,38 4.173,39 4.231,40 4.087,41 3.548,42 5.775,43 3.552,44 4.223,45 4.295,46 3.872,47 3.449,48 5.964,49 3.411,50 3.855,51 3.924,52 3.661,53 3.133,54 5.48,55 3.152,56 0.325,57 0.502,58 1.919,59 3.186,60 27.924,61 2.428,62 0.86,63 0.818,64 12.411,65 5.921,66 84.373,67 3.965,68 0.689,69 0.858,70 7.603,71 6.38,72 73.2,73 4.467,74 0.871,75 0.954,76 14.504,77 7.842,78 119.691,79 5.149,80 1.002,81 0.892,82 19.495,83 7.404,84 138.549,85 5.583,86 0.658,87 0.769,88 9.306,89 5.864,90 74.495,91 3.76,92 0.906,93 0.774,94 18.962,95 7.015,96 154.5,97 4.345,98 0.436,99 0.54,100 10.15,101 4.611,102 59.136,103 3.176,105 43,106 39,107 0.359,108 0.736,109 0.842,110 0.863,111 0.873,112 0.873,113 3.267,114 0.892,115 -2.62,116 -2.64,117 -2.57,120 40,125 1,126 1,127 1,135 1,138 1,140 2,141 1,142 3,153 2,154 1,161 2,165 2,167 4,168 5,176 3,181 2,182 12,190 3,194 1,195 8,203 1,206 5,207 6,215 1,219 4,220 7,230 6,231 3,244 2,245 2,257 2,258 2,270 862,271 16.455,272 16.455,273 16.455,274 16.455,275 16.455,276 14.867,277 20.349,278 9.412,279 17.157,280 13.222,281 13.222,282 13.222,283 13.222,284 13.222,285 10.48,286 21.178,287 4.374,288 14.241,289 3.148,290 1.062,291 0.479,292 0.364,293 0.307,294 0.307,295 3.94,300 1,301 1,302 1,303 499,304 3.606,306 129.804,307 66.282,310 106.616,313 1.501,314 48.219,317 1,318 0.83,319 1,320 0.4,322 0.83,323 1,324 0.72,325 58,326 237,327 4.532,328 4.909,329 6.668,330 4.124,331 3.184,332 4.259,333 4.507,334 10.663,335 3.029,336 4.357,337 3.81,338 6.503,339 4.006,340 3.067,341 3.694,342 2.612,343 10.182,344 2.852,345 3.999,346 3.7,347 6.019,348 3.569,349 2.625,350 3.498,351 2.473,352 8.532,353 2.466,354 3.691,355 3.683,356 5.493,357 3.304,358 2.338,359 2.934,360 1.392,361 6.911,362 2.235,363 3.512,364 3.296,365 4.968,366 3.012,367 2.07,368 2.727,369 1.199,370 5.705,371 1.952,372 3.282,373 3.265,374 4.923,375 2.737,376 1.807,377 2.443,378 0.562,379 5.295,380 1.636,381 2.919,382 2.467,383 4.582,384 2.407,385 1.528,386 2.021,387 0.532,388 4.392,389 1.357,390 2.887,391 2.024,392 4.29,393 2.361,394 1.424,395 1.887,396 0.362,397 3.791,398 1.271,399 2.203,400 1.869,401 3.493,402 2.089,403 1.099,404 1.182,406 2.469,407 1.082,408 1.982,409 1.749,410 3.383,411 1.58,412 0.636,413 0.783,415 1.635,416 0.592,417 1.796,418 1.668,419 3.16,420 1.393,421 0.487,422 0.567,424 1.033,425 0.431,426 1.474,427 1.461,428 2.82,429 1.095,430 0.146,431 0.184,433 0.239,434 0.135,435 1.183,436 1.141,437 2.6,438 0.734,439 -0.181,440 -0.223,442 -0.475,443 -0.157,444 1,445 1,446 2.326,447 0.284,448 -0.689,449 -0.899,451 -1.82,452 -0.622,453 0.724,454 0.502,455 2.223,456 0.265,457 -0.718,458 -0.96,460 -2,461 -0.671,462 11.8,463 0.472,464 0.771,465 0.031,466 32.5,467 1.3,468 15.5,469 0.62,470 17,471 0.68,472 18.966,473 0.759,474 27.2,475 0.777,476 26.316,477 1.053,478 6.661,479 0.266,480 5.24,481 0.21,482 0.226,484 0.407,490 0.69,491 1.124,492 0.564,493 0.831,494 0.55,495 0.815,496 0.895,497 0.82,498 0.599,499 0.587,500 0.537,501 0.59,502 0.927,503 1.04,504 0.894,505 0.96,506 0.89,507 1.014,508 1.163,509 1.137,510 1.269,511 1.175,512 1.261,513 1.199,514 0.844,515 0.99,516 0.885,517 1.035,518 0.964,519 0.757,520 0.857,521 1.117,522 0.956,523 1.17,524 1.039,525 0.965,526 1.101,527 1.118,528 1.74,529 1.423,530 1.431,531 1.25,532 0.833,533 1.415,534 1.192,535 1.594,536 0.774,537 1.274,538 6,539 0.112,540 3.333,541 2.458,542 1.604,543 1.174,544 0.705,545 0.477,546 0.257,547 0.185,548 6391,549 29436,550 1.992,551 28.6,553 8,554 2,560 1.684,561 1.807,562 3.209,563 -0.553,565 1,569 69.351,570 1.981,571 4.068,572 4.651,573 4.765,574 4.822,575 4.822,576 2.683,577 4.324,578 4.616,579 3.372,580 1011.57,581 8.003,582 12052.4,583 1,584 1,586 1,587 179.525,588 1.554,589 4.541,590 0.222,591 0.009,592 0.085,593 0.063,594 0.045,595 0.032,596 0.021,597 0.018,598 0.012,599 0.012,600 0.517,601 0.33,602 0.88,603 1.343,604 119.296,605 0.009,606 -0.093,607 0.028,608 -0.025,609 -0.021,610 -0.041,611 0.013,612 0.186,613 0.217,614 0.316,615 0.115,616 0.289,617 -0.131,618 -0.049,619 -0.1,620 -0.043,621 -0.109,622 -0.13,623 -0.269,624 -0.145,625 -0.272,626 -0.154,627 -0.228,628 -0.237,629 0.158,630 0.01,631 0.26,632 0.035,633 0.12,634 0.28,635 0.041,636 -0.051,637 0.071,638 -0.103,639 -0.041,640 -0.07,641 -0.035,642 -0.07,643 -0.434,644 -0.188,645 -0.095,646 -0.252,647 0.067,648 -0.387,649 -0.071,650 -0.485,651 0.1,652 -0.306,653 2.58,654 5.402,655 0.56,656 20.298,657 1.062,658 1.113,659 1.386,660 1.921,661 0.73,662 3.332,663 3.689,664 3.97,665 4.234,666 4.407,667 4.511,668 4.635,669 4.727,670 4.7,671 4.727,672 5.728,673 0.729,674 382.4,675 3.332,676 4.89,677 5.753,678 6.648,679 7.533,680 8.433,681 9.326,682 10.228,683 11.125,684 12.027,685 5.7,692 1,696 1,699 2,704 4,706 6,715 1,718 2,720 35,723 12,724 1,725 27,727 37,728 14,729 6,730 4,731 2,732 3,735 3,736 4,749 11,750 3,754 6,756 1,759 4,760 1,761 1,763 4,764 1,765 1,768 10,769 8,771 11,772 2,775 2,777 1,780 0.667,781 7,788 2,789 1,792 1,803 1,805 2,810 1,813 2,815 2,817 1,821 25,828 2,830 3,831 1,834 1,840 20,843 2,845 3,846 2,847 13.833,848 6.9,849 5.5,850 1.796,851 2.204,852 1.309,853 0.938,854 5.17,855 9.342,856 3.611,857 4.182,858 4.675,859 5.192,860 5.712,861 6.052,862 6.411,863 6.656,864 6.853,865 7.06,866 1,867 39,868 9.265,870 4.092,871 8.393,872 16.449,874 13.101,877 2.893,878 72.333,882 117.711,883 155.355,884 8.794,886 134.036,888 77.412,889 77.944,890 251.747,891 8.794,892 16.553,893 11.88,894 28.429,895 63.737,896 49.429,897 23.542,898 126.388,899 95.939,900 117.711,901 86.738,902 134.036,903 77.412,905 117.711,906 83.29,907 50.747,909 11.88,910 58.161,911 16.697,912 77.412,913 117.711,914 142.831,915 155.355,918 117.711,919 70.851,920 48.106,922 179.228,923 117.711,924 142.831,925 155.355,927 0.591,928 0.351,929 0.183,930 0.099,931 19,932 10,933 0.135,934 5,935 1,936 1.143,937 3.552,938 208.665,939 0.143,940 14,941 114.096,942 1,943 1,945 17.975,946 7.191,947 3.583,949 137.161,950 2.663,955 0.555,958 415.897,959 36,961 -0.58,964 46.335,965 5.082,966 1.344,968 -0.806,969 37.182,970 38.963,971 0.386,972 0.793,973 0.907,974 0.929,975 0.94,976 0.94,977 4.879,978 1.424,979 5.771,980 4.392,981 4.369,982 4.868,983 4.229,984 6.621,985 4.238,986 6.103,987 1.099,988 7.365,989 3.791,990 4.111,991 4.89,992 3.669,993 7.591,994 3.929,995 7.435,996 0.636,997 9.054,998 2.469,999 6.009,1000 7.031,1001 6.721,1002 10.693,1003 5.763,1004 8.799,1005 0.487,1006 10.797,1007 1.635,1008 6.538,1009 7.815,1010 6.703,1011 12.459,1012 6.234,1013 10.191,1014 0.146,1015 12.574,1016 1.033,1017 7.947,1018 9.5,1019 9.549,1020 15.081,1021 7.591,1022 11.603,1023 -0.181,1024 14.373,1025 0.239,1026 8.819,1027 10.614,1028 9.815,1029 17.178,1030 8.399,1031 13.029,1032 -0.689,1033 16.19,1034 -0.475,1035 10.051,1036 12.139,1037 12.467,1038 19.628,1039 9.582,1040 3.184,1041 -0.718,1042 18.019,1043 -1.82,1044 11.074,1045 13.407,1046 12.952,1047 21.866,1048 10.54,1049 3.067,1050 10.663,1051 19.858,1052 -2,1053 12.242,1054 14.873,1055 15.413,1056 24.251,1057 11.659,1058 2.625,1059 10.182,1060 21.705,1061 4.259,1062 13.329,1063 16.218,1064 16.076,1065 26.55,1066 12.684,1067 2.338,1068 8.532,1069 23.558,1070 3.694,1071 14.476,1072 17.661,1073 18.372,1074 28.911,1075 13.78,1076 2.07,1077 6.911,1078 25.416,1079 3.498,1080 15.592,1081 19.047,1082 19.178,1083 31.238,1084 14.838,1085 1.807,1086 5.705,1087 27.279,1088 2.934,1089 16.733,1090 20.483,1091 21.34,1092 33.59,1093 15.927,1094 1.528,1095 5.295,1096 29.145,1097 2.727,1098 17.863,1099 21.892,1100 22.262,1101 35.93,1102 17.001,1103 6381,1104 13812,1105 17.224,1106 25.534,1107 41.266,1108 46.219,1109 43.411,1110 40.866,1111 40.82,1112 52.358,1113 27.276,1114 121.691,1115 38.077,1116 5.468,1117 6.909,1118 6.219,1119 5.252,1120 5.184,1121 7.259,1122 8.641,1123 17.701,1124 5.029,1125 15.388,1126 1.528,1127 1.712,1128 1.608,1129 1.514,1130 1.512,1131 1.939,1132 1.01,1133 4.507,1134 1.41,1135 4.043,1136 4.053,1137 4.218,1138 3.937,1139 7.815,1140 3.939,1141 3.796,1142 3.807,1143 3.982,1144 3.714,1145 7.435,1146 3.669,1147 3.58,1148 3.584,1149 3.56,1150 3.278,1151 7.425,1152 3.309,1153 3.501,1154 3.503,1155 3.495,1156 3.159,1157 6.999,1158 3.228,1159 3.215,1160 3.258,1161 3.425,1162 3.04,1163 4.993,1164 3.01,1165 3.046,1166 3.107,1167 3.047,1168 2.827,1169 4.754,1170 2.786,1171 2.89,1172 2.916,1173 2.936,1174 2.763,1175 4.494,1176 2.758,1177 2.783,1178 2.78,1179 2.738,1180 2.593,1181 4.346,1182 2.615,1183 0.168,1184 0.182,1185 0.247,1186 0.153,1187 0.118,1188 4.532,1189 0.158,1190 4.909,1191 0.167,1192 6.668,1193 0.395,1194 4.124,1195 0.112,1196 3.184,1197 4.259,1198 4.507,1199 10.663,1200 3.029,1201 1.917,1202 1.905,1203 1.968,1204 2.075,1205 1.123,1206 2.027,1207 1.559,1208 1.532,1209 1.704,1210 1.822,1211 0.871,1212 1.783,1213 1.398,1214 1.405,1215 1.542,1216 1.656,1217 0.612,1218 1.575,1219 1.202,1220 1.172,1221 1.448,1222 1.553,1223 0.575,1224 1.515,1225 1.188,1226 1.169,1227 1.4,1228 1.513,1229 0.566,1230 1.469,1231 1.116,1232 1.09,1233 1.193,1234 1.4,1235 0.149,1236 1.431,1237 0.934,1238 0.9,1239 0.969,1240 1.107,1241 0.028,1242 1.107,1243 0.752,1244 0.726,1245 0.824,1246 0.895,1248 0.945,1249 4.007,1251 5.352,1252 3.045,1253 6.874,1254 5.416,1255 8.482,1256 7.496,1257 10.14,1259 1.2,1265 -0.348,1267 14.859,1268 0.949,1271 1.08,1273 25.528,1274 69.351,1275 142.364,1276 162.77,1277 166.77,1278 168.77,1279 168.77,1280 64.418,1281 7.138,1282 112.58,1283 172.91,1284 16,1285 12.548,1286 3.7,1287 3.322,1288 41.62,1289 86,1290 92,1291 0.243,1292 163.288,1293 302.21,1294 390.183,1295 10920,1297 18.137,1298 0.725,1299 0.574,1300 18.991,1301 14.348,1302 11.901,1303 0.441,1304 0.297,1305 6.708,1306 10.407,1307 6.483,1308 5.319,1309 12.598,1310 8.031,1311 11.071,1312 0.284,1313 0.168,1314 12.246,1315 6.541,1316 9.26,1317 0.178,1318 0.092,1319 10.409,1320 4.771,1321 7.44,1322 0.109,1323 0.051,1324 8.719,1325 3.438,1326 5.76,1327 0.071,1328 0.028,1329 6.949,1330 2.236,1331 0.373,1332 84.898,1333 0.241,1334 23.916,1335 0.689,1336 132,1337 593.16,1338 200.775,1339 583.993,1340 755.29,1341 538,1342 157,1343 501.728,1344 212.56,1345 518.72,1346 760.54,1347 480,1348 4.42}
{0 CHEMBL39086,1 1.685,2 12.211,3 4.824,4 23.274,5 150.882,6 7.655,7 0.381,8 4.378,9 4.491,10 4.102,11 3.976,12 5.352,13 3.906,14 4.99,15 5.164,16 4.468,17 4.421,18 6.098,19 4.329,20 5.31,21 5.516,22 4.552,23 4.615,24 6.287,25 4.479,26 5.478,27 5.728,28 4.587,29 4.605,30 6.49,31 4.461,32 5.36,33 5.576,34 4.597,35 4.51,36 6.598,37 4.394,38 5.313,39 5.534,40 4.587,41 4.506,42 6.436,43 4.384,44 5.281,45 5.473,46 4.596,47 4.54,48 6.453,49 4.433,50 5.338,51 5.527,52 4.566,53 4.559,54 6.582,55 4.46,56 0.09,57 1.174,58 18.867,59 7.768,60 19.206,61 9.56,62 0.471,63 1.991,64 35.134,65 13.568,66 74.417,67 17.214,68 0.454,69 2.547,70 53.11,71 19.296,72 73.89,73 24.163,74 0.92,75 2.746,76 70.428,77 21.577,78 125.288,79 27.051,80 1.117,81 2.533,82 65.057,83 19.319,84 185.645,85 22.615,86 0.871,87 2.427,88 58.892,89 18.583,90 129.351,91 21.976,92 0.616,93 2.347,94 60.694,95 19.261,96 104.061,97 21.797,98 1.029,99 2.436,100 59.005,101 18.063,102 184.082,103 20.998,105 39,106 62,107 0.261,108 0.579,109 0.77,110 0.843,111 0.853,112 0.853,113 3.668,114 1.109,115 -4.06,116 -4.01,117 -3.8,120 38.4,121 2,122 5,123 1,124 1,126 4,128 1,140 7,141 1,142 2,144 1,147 1,153 1,156 1,165 13,167 2,168 5,171 2,173 3,176 14,182 7,185 2,187 6,190 8,195 10,198 3,199 1,200 4,203 7,206 6,207 7,212 4,215 8,219 2,220 7,225 5,227 5,231 19,234 2,236 5,239 6,245 17,248 1,250 1,253 6,258 11,263 2,266 16,270 3230,271 25.22,272 25.22,273 25.22,274 25.22,275 25.22,276 22.963,277 23.603,278 14.599,279 25.812,280 20.718,281 20.718,282 20.718,283 20.718,284 20.718,285 17.116,286 23.666,287 6.874,288 21.733,289 4.505,290 2.452,291 1.218,292 0.743,293 0.678,294 0.678,295 4.368,302 1,303 1008,304 4.796,306 91.128,307 475.969,310 178.357,311 185.774,313 1.706,314 56.359,317 0.75,318 0.83,319 0.83,320 0.9,321 0.5,322 0.83,323 1,324 0.81,325 82.5,326 464,327 4.906,328 4.711,329 7.437,330 4.413,331 3.481,332 4.758,333 1.984,334 13.085,335 3.282,336 4.462,337 3.833,338 6.774,339 4.214,340 3.229,341 4.402,342 0.596,343 11.143,344 3.124,345 4.334,346 3.343,347 6.415,348 3.957,349 3.018,350 3.779,351 0.4,352 9.811,353 2.862,354 4.097,355 3.041,356 6.237,357 3.857,358 2.911,359 3.269,360 0.076,361 9.42,362 2.719,363 3.931,364 2.737,365 6.13,366 3.6,367 2.616,368 3.102,370 8.859,371 2.569,372 3.556,373 2.651,374 5.449,375 3.469,376 2.476,377 2.829,379 7.149,380 2.454,381 3.432,382 2.439,383 5.246,384 3.109,385 2.167,386 2.5,388 6.551,389 2.023,390 3.047,391 2.201,392 5.005,393 2.754,394 1.818,395 2.298,397 5.54,398 1.693,399 3.032,400 1.98,401 4.812,402 2.611,403 1.639,404 2.21,406 4.942,407 1.588,408 2.935,409 1.865,410 4.414,411 2.467,412 1.532,413 2.084,415 4.312,416 1.46,417 2.913,418 1.813,419 4.217,420 2.461,421 1.478,422 2.054,424 3.601,425 1.408,426 2.789,427 1.532,428 3.701,429 2.346,430 1.363,431 1.839,433 2.961,434 1.329,435 2.26,436 1.527,437 3.609,438 2.043,439 1.123,440 1.171,442 2.28,443 1.013,444 2.026,445 1.381,446 3.582,447 1.984,448 1,449 1,451 2.275,452 0.983,453 2.004,454 1.089,455 3.414,456 1.804,457 0.849,458 0.958,460 2.03,461 0.803,462 18.552,463 0.488,464 1.195,465 0.031,466 43,467 1.132,468 19,469 0.5,470 24,471 0.632,472 45.445,473 1.196,474 42.648,475 0.584,476 36.092,477 0.95,478 7.379,479 0.194,480 10.77,481 0.283,482 0.123,483 0.072,484 0.264,485 1,490 0.539,491 1.216,492 0.804,493 1.135,494 0.572,495 1.002,496 0.672,497 1.04,498 0.833,499 0.932,500 0.59,501 0.946,502 0.81,503 1.1,504 1.051,505 1.142,506 0.757,507 1.129,508 1.027,509 0.881,510 1.01,511 0.963,512 1.049,513 0.896,514 1.318,515 1.039,516 1.092,517 1.036,518 1.416,519 0.967,520 1.297,521 0.926,522 1.045,523 0.956,524 1.401,525 0.889,526 1.251,527 1.017,528 1.367,529 1.24,530 1.296,531 0.966,532 1.642,533 0.891,534 1.288,535 0.996,536 1.715,537 0.973,538 10,539 0.396,540 5.111,541 3.729,542 2.64,543 1.761,544 1.402,545 0.857,546 0.722,547 0.425,548 21481,549 54515,550 2.069,551 47.9,552 9,553 16,556 2,557 2,558 6,560 1.795,561 1.916,562 3.528,563 0.175,569 122.971,570 1.685,571 3.737,572 4.972,573 5.446,574 5.512,575 5.512,576 2.993,577 4.774,578 5.216,579 3.744,580 2632.32,581 9.238,582 43004.2,587 451.857,588 1.638,589 5.16,590 0.238,591 0.008,592 0.082,593 0.059,594 0.043,595 0.029,596 0.023,597 0.013,598 0.011,599 0.007,600 0.514,601 0.33,602 0.75,603 0.835,604 208.213,605 0.05,606 -0.081,607 0.162,608 -0.007,609 -0.072,610 0.043,611 0.133,612 0.041,613 0.083,614 0.077,615 0.129,616 0.05,617 -0.02,618 -0.11,619 -0.057,620 -0.111,621 -0.022,622 -0.126,623 -0.004,624 0.02,625 0.068,626 0.039,627 -0.031,628 0.073,629 0.047,630 -0.021,631 0.027,632 -0.008,633 0.037,634 -0.016,635 -0.04,636 0.078,637 0.082,638 0.087,639 -0.084,640 0.074,641 -0.092,642 -0.068,643 -0.082,644 -0.067,645 -0.034,646 0.025,647 -0.227,648 0.062,649 -0.178,650 0.031,651 -0.142,652 -0.04,653 4.941,654 6.782,655 0.658,656 42,657 1.003,658 1.129,659 2.83,660 8.008,661 0.669,662 3.761,663 4.143,664 4.394,665 4.682,666 4.92,667 5.004,668 5.17,669 5.247,670 5.352,671 5.407,672 7.497,673 0.622,674 558.81,675 3.761,676 5.342,677 6.201,678 7.109,679 7.986,680 8.896,681 9.782,682 10.693,683 11.584,684 12.494,685 5.5,687 1,690 1,692 1,695 1,698 2,699 7,700 1,703 1,704 4,706 16,714 1,720 73,723 19,724 2,725 42,727 77,728 28,729 13,730 5,731 7,734 1,735 5,736 7,741 3,742 1,744 1,745 3,746 1,748 6,749 14,750 14,751 1,754 3,757 1,759 3,763 1,766 1,768 35,769 8,770 2,771 10,772 2,775 4,780 0.6,781 3,788 1,789 4,792 1,793 1,801 1,813 3,815 2,817 2,819 1,821 38,824 1,828 9,829 2,833 2,834 1,835 1,836 1,839 1,840 4.1,843 3,847 19.833,848 13.376,849 8.097,850 4.533,851 2.705,852 1.332,853 0.981,854 8.095,855 10.863,856 3.989,857 4.603,858 5.104,859 5.662,860 6.14,861 6.361,862 6.747,863 7.012,864 7.06,865 7.235,866 1,867 63,868 14.643,870 6.81,871 7.838,872 27.581,874 24.116,877 2.338,878 88.833,882 388.446,883 164.546,884 54.326,886 69.458,887 14.96,888 37.085,889 127.461,890 457.904,891 69.286,892 17.65,893 30.584,894 88.546,895 109.888,896 9.637,897 15.706,898 419.724,900 388.446,901 181.787,902 84.418,903 37.085,905 332.78,906 140.084,909 67.713,910 79.277,911 40.604,912 31.278,913 403.406,914 123.783,915 164.546,917 5.807,918 388.446,919 74.755,920 87.108,921 34.416,922 101.204,923 388.446,924 138.744,925 164.546,927 0.594,928 0.34,929 0.184,930 0.103,931 31,932 14,933 0.091,934 7,935 2,936 1.16,937 4.621,938 389.238,939 0.16,940 25,941 191.421,942 1,944 1,945 27.488,946 11.192,947 6.239,948 1.824,949 138.744,950 13.028,951 4.664,954 1.47,955 2.425,957 34.416,958 691.736,959 53,962 -4.024,964 41.316,968 -0.259,969 73.192,970 82.444,971 0.272,972 0.604,973 0.803,974 0.88,975 0.89,976 0.89,977 5.278,978 1.818,979 6.248,980 6.551,981 4.828,982 5.291,983 2.146,984 7.135,985 4.737,986 6.515,987 1.639,988 7.862,989 5.54,990 4.691,991 5.4,992 1.668,993 8.403,994 4.552,995 7.872,996 1.532,997 9.588,998 4.942,999 6.564,1000 7.572,1001 3.078,1002 11.425,1003 6.381,1004 9.266,1005 1.478,1006 11.38,1007 4.312,1008 7.209,1009 8.5,1010 3.205,1011 13.471,1012 6.968,1013 10.697,1014 1.363,1015 13.216,1016 3.601,1017 8.625,1018 10.241,1019 4.28,1020 16.117,1021 8.343,1022 12.152,1023 1.123,1024 15.081,1025 2.961,1026 9.591,1027 11.514,1028 4.673,1029 18.455,1030 9.248,1031 13.628,1032 1,1033 16.967,1034 2.28,1035 10.854,1036 13.115,1037 5.57,1038 21.008,1039 10.468,1040 3.481,1041 0.849,1042 18.87,1043 2.275,1044 11.956,1045 14.535,1046 6.097,1047 23.463,1048 11.508,1049 3.229,1050 13.085,1051 20.786,1052 2.03,1053 13.171,1054 16.089,1055 6.898,1056 26,1057 12.675,1058 3.018,1059 11.143,1060 22.714,1061 4.758,1062 14.331,1063 17.574,1064 7.497,1065 28.508,1066 13.776,1067 2.911,1068 9.811,1069 24.65,1070 4.402,1071 15.536,1072 19.114,1073 8.246,1074 31.049,1075 14.929,1076 2.616,1077 9.42,1078 26.595,1079 3.779,1080 16.724,1081 20.628,1082 8.884,1083 33.583,1084 16.059,1085 2.476,1086 8.859,1087 28.546,1088 3.269,1089 17.93,1090 22.165,1091 9.604,1092 36.131,1093 17.211,1094 2.167,1095 7.149,1096 30.504,1097 3.102,1098 19.133,1099 23.693,1100 10.263,1101 38.679,1102 18.357,1103 20266,1104 32528,1105 27.622,1106 48.802,1107 64.236,1108 66.23,1109 65.229,1110 63.544,1111 63.532,1112 79.291,1113 6.112,1114 192.837,1115 60.627,1116 5.906,1117 6.711,1118 7.207,1119 5.523,1120 5.481,1121 7.758,1122 3.451,1123 21.101,1124 5.282,1125 20.234,1126 1.529,1127 1.577,1128 1.553,1129 1.513,1130 1.513,1131 1.888,1132 0.146,1133 4.591,1134 1.443,1135 4.135,1136 4.139,1137 4.739,1138 4.108,1139 8.195,1140 4.046,1141 4.04,1142 4.052,1143 4.318,1144 4.035,1145 7.717,1146 3.982,1147 3.897,1148 3.952,1149 3.862,1150 3.76,1151 7.426,1152 3.756,1153 3.822,1154 3.836,1155 3.791,1156 3.734,1157 6.999,1158 3.677,1159 3.619,1160 3.667,1161 3.536,1162 3.504,1163 4.964,1164 3.495,1165 3.496,1166 3.528,1167 3.464,1168 3.401,1169 4.727,1170 3.347,1171 3.414,1172 3.458,1173 3.414,1174 3.258,1175 4.32,1176 3.244,1177 3.221,1178 3.254,1179 3.19,1180 3.085,1181 4.282,1182 3.057,1183 0.117,1184 0.112,1185 0.177,1186 0.105,1187 0.083,1188 4.906,1189 0.113,1190 4.711,1191 0.047,1192 7.437,1193 0.312,1194 4.413,1195 0.078,1196 3.481,1197 4.758,1198 1.984,1199 13.085,1200 3.282,1201 2.023,1202 2.016,1203 2.107,1204 2.112,1205 1.468,1206 2.134,1207 1.898,1208 1.88,1209 2.076,1210 2.048,1211 1.41,1212 2.059,1213 1.875,1214 1.822,1215 1.981,1216 1.965,1217 1.182,1218 1.979,1219 1.746,1220 1.726,1221 1.858,1222 1.891,1223 1.1,1224 1.926,1225 1.635,1226 1.594,1227 1.796,1228 1.776,1229 1.054,1230 1.797,1231 1.4,1232 1.4,1233 1.662,1234 1.642,1235 0.945,1236 1.656,1237 1.38,1238 1.331,1239 1.513,1240 1.512,1241 0.825,1242 1.559,1243 1.153,1244 1.097,1245 1.417,1246 1.376,1247 0.649,1248 1.429,1249 4.443,1251 5.808,1252 2.398,1253 7.361,1254 4.727,1255 8.998,1256 6.823,1257 10.68,1259 4.289,1261 12.833,1265 4.187,1266 6.077,1270 -0.733,1271 1.719,1272 0.016,1273 45.416,1274 122.971,1275 272.833,1276 362.921,1277 397.593,1278 402.347,1279 402.347,1280 106.527,1281 8.158,1282 91.4,1283 128.02,1284 29,1285 13.013,1286 4.322,1287 3.585,1288 58.606,1289 160,1290 216,1291 0.165,1292 281.596,1293 490.8,1294 678.854,1295 39652,1296 1.4,1297 26.916,1298 0.708,1299 0.619,1300 26.812,1301 23.507,1302 18.149,1303 0.432,1304 0.37,1305 13.268,1306 16.345,1307 12.706,1308 10.474,1309 18.878,1310 15.524,1311 17.627,1312 0.284,1313 0.226,1314 19.198,1315 13.982,1316 14.024,1317 0.175,1318 0.127,1319 15.733,1320 10.144,1321 11.971,1322 0.112,1323 0.074,1324 13.736,1325 7.911,1326 9.808,1327 0.072,1328 0.043,1329 11.515,1330 5.866,1331 0.256,1332 125.643,1333 0.19,1334 33.998,1335 0.465,1336 208,1337 608.995,1338 288.158,1339 601.733,1340 806.52,1341 558,1342 246,1343 530.191,1344 332.651,1345 587.612,1346 864.91,1347 551,1348 5.076}
{0 CHEMBL39375,1 1.594,2 11.676,3 5.11,4 26.112,5 150.646,6 7.408,7 0.39,8 4.371,9 4.487,10 4.077,11 3.977,12 5.312,13 3.898,14 4.98,15 5.157,16 4.447,17 4.422,18 6.046,19 4.322,20 5.302,21 5.511,22 4.534,23 4.616,24 6.247,25 4.472,26 5.472,27 5.725,28 4.554,29 4.606,30 6.452,31 4.451,32 5.346,33 5.568,34 4.561,35 4.513,36 6.534,37 4.379,38 5.3,39 5.526,40 4.564,41 4.508,42 6.368,43 4.376,44 5.278,45 5.471,46 4.581,47 4.541,48 6.442,49 4.429,50 5.333,51 5.524,52 4.529,53 4.56,54 6.502,55 4.453,56 0.101,57 1.105,58 19.728,59 7.736,60 16.839,61 9.838,62 0.432,63 1.88,64 35.631,65 13.503,66 64.006,67 17.735,68 0.392,69 2.465,70 53.367,71 19.245,72 57.413,73 24.634,74 0.839,75 2.697,76 69.807,77 21.552,78 106.383,79 27.393,80 0.994,81 2.387,82 64.211,83 19.231,84 158.884,85 23.38,86 0.674,87 2.304,88 58.237,89 18.528,90 100.304,91 22.544,92 0.582,93 2.331,94 60.895,95 19.258,96 97.63,97 22.015,98 0.835,99 2.397,100 59.232,101 18.045,102 139.272,103 21.328,105 38,106 61,107 0.247,108 0.56,109 0.746,110 0.837,111 0.847,112 0.847,113 3.643,114 1.131,115 -3.96,116 -3.92,117 -3.71,120 38.4,121 3,122 5,123 1,124 1,126 3,128 1,140 7,141 1,142 2,144 1,147 1,153 1,156 1,165 14,167 2,168 5,171 2,173 3,176 15,182 7,185 2,187 6,190 10,195 10,198 3,199 1,200 4,203 7,206 6,207 8,212 4,215 8,219 2,220 7,225 5,227 5,231 20,234 2,236 5,239 6,245 17,248 1,250 2,253 7,258 11,263 2,266 16,270 2934,271 24.513,272 24.513,273 24.513,274 24.513,275 24.513,276 22.256,277 22.79,278 13.993,279 25.045,280 20.18,281 20.18,282 20.18,283 20.18,284 20.18,285 16.578,286 23.666,287 6.579,288 21.1,289 4.596,290 2.575,291 1.369,292 0.781,293 0.716,294 0.716,295 4.342,302 1,303 942,304 4.69,306 87.494,307 458.106,310 171.444,311 178.396,313 1.594,314 47.362,317 0.75,318 0.83,319 0.83,320 0.9,321 0.5,322 0.83,323 1,324 0.81,325 79,326 432,327 4.906,328 4.711,329 7.437,330 4.413,331 3.481,332 4.758,333 1.984,334 13.085,335 3.282,336 4.462,337 3.833,338 6.774,339 4.214,340 3.229,341 4.402,342 0.596,343 11.143,344 3.124,345 4.334,346 3.343,347 6.415,348 3.957,349 3.018,350 3.779,351 0.4,352 9.811,353 2.861,354 4.097,355 3.041,356 6.237,357 3.857,358 2.91,359 3.269,360 0.076,361 9.42,362 2.719,363 3.931,364 2.737,365 6.13,366 3.598,367 2.615,368 3.102,370 8.859,371 2.567,372 3.549,373 2.63,374 5.44,375 3.456,376 2.462,377 2.829,379 7.085,380 2.444,381 3.421,382 2.42,383 5.228,384 3.103,385 2.16,386 2.484,388 6.488,389 2.019,390 3.045,391 2.1,392 5.003,393 2.747,394 1.81,395 2.298,397 5.527,398 1.689,399 3.032,400 1.962,401 4.81,402 2.608,403 1.636,404 2.209,406 4.936,407 1.584,408 2.929,409 1.822,410 4.414,411 2.467,412 1.532,413 2.084,415 4.312,416 1.459,417 2.912,418 1.532,419 4.217,420 2.461,421 1.477,422 2.051,424 3.601,425 1.408,426 2.781,427 1.527,428 3.691,429 2.342,430 1.36,431 1.825,433 2.96,434 1.326,435 2.213,436 1.381,437 3.609,438 1.984,439 1,440 1.029,442 2.275,443 0.983,444 2.007,445 1.089,446 3.579,447 1.873,448 0.882,449 1,451 2.167,452 0.861,453 2,454 1.077,455 3.414,456 1.769,457 0.796,458 0.934,460 1.957,461 0.77,462 18.267,463 0.494,464 1.195,465 0.032,466 42.25,467 1.142,468 19,469 0.514,470 23.25,471 0.628,472 44.724,473 1.209,474 41.133,475 0.563,476 34.186,477 0.924,478 7.009,479 0.189,480 10.64,481 0.288,482 0.137,483 0.073,484 0.268,490 0.566,491 1.313,492 0.832,493 1.136,494 0.612,495 1.009,496 0.588,497 1.101,498 0.814,499 0.934,500 0.484,501 0.936,502 0.871,503 1.211,504 1.048,505 1.145,506 0.801,507 1.116,508 1.22,509 0.942,510 1.027,511 0.965,512 1.255,513 0.896,514 1.34,515 1.044,516 1.063,517 1.037,518 1.486,519 0.959,520 1.413,521 0.995,522 1.013,523 0.96,524 1.525,525 0.87,526 1.641,527 1.155,528 1.404,529 1.245,530 1.699,531 0.962,532 2.221,533 0.984,534 1.334,535 0.998,536 2.338,537 0.972,538 10,539 0.363,540 5.111,541 3.729,542 2.64,543 1.733,544 1.362,545 0.826,546 0.722,547 0.425,548 19896,549 44186,550 2.071,551 49.3,552 14,553 14,556 2,557 2,558 4,560 1.789,561 1.914,562 3.478,563 0.162,569 116.379,570 1.594,571 3.615,572 4.821,573 5.409,574 5.474,575 5.474,576 2.893,577 4.669,578 5.18,579 3.686,580 2454.7,581 9.164,582 39211.5,587 451.857,588 1.657,589 5.119,590 0.244,591 0.007,592 0.084,593 0.06,594 0.045,595 0.03,596 0.023,597 0.013,598 0.012,599 0.007,600 0.524,601 0.33,602 0.75,603 0.707,604 200.649,605 0.085,606 -0.093,607 0.174,608 -0.007,609 -0.095,610 0.043,611 0.25,612 0.023,613 0.122,614 0.075,615 0.222,616 0.065,617 0.015,618 -0.147,619 -0.035,620 -0.113,621 0.004,622 -0.115,623 0.018,624 0.053,625 0.065,626 0.04,627 -0.025,628 0.065,629 0.167,630 -0.029,631 0.064,632 -0.009,633 0.139,634 -0.006,635 -0.008,636 0.028,637 0.125,638 0.084,639 -0.043,640 0.093,641 -0.093,642 -0.068,643 -0.079,644 -0.067,645 -0.014,646 0.022,647 -0.374,648 0.079,649 -0.192,650 0.031,651 -0.276,652 -0.044,653 4.887,654 6.785,655 0.676,656 38.862,657 0.996,658 1.125,659 2.732,660 7.462,661 0.669,662 3.738,663 4.127,664 4.382,665 4.663,666 4.905,667 4.99,668 5.147,669 5.215,670 5.333,671 5.389,672 7.259,673 0.617,674 540.82,675 3.738,676 5.323,677 6.184,678 7.094,679 7.973,680 8.884,681 9.771,682 10.682,683 11.574,684 12.485,685 5.5,687 1,690 1,692 1,695 1,698 2,699 7,700 1,703 1,704 4,706 16,714 1,720 73,723 19,724 2,725 41,727 77,728 28,729 13,730 5,731 7,735 5,736 7,741 3,742 1,744 1,745 3,746 1,748 6,749 14,750 14,751 1,754 3,757 1,759 3,763 1,768 36,769 7,770 2,771 9,772 2,775 4,780 0.6,781 3,788 1,789 4,792 1,793 1,801 1,813 3,815 2,817 3,821 37,824 1,828 8,829 2,833 2,834 1,835 1,836 1,840 4.1,843 3,847 19.333,848 13.733,849 7.847,850 4.711,851 2.738,852 1.338,853 0.981,854 7.638,855 10.847,856 3.97,857 4.593,858 5.098,859 5.655,860 6.135,861 6.357,862 6.742,863 7.005,864 7.056,865 7.232,866 0.875,867 62,868 14.228,870 6.575,871 7.698,872 27.118,874 23.738,877 2.198,878 81.333,882 400.217,883 164.901,884 54.326,886 69.458,888 37.085,889 127.816,890 469.675,891 54.326,892 26.476,893 22.114,894 88.546,895 109.888,896 9.637,897 0.746,898 431.495,900 400.217,901 182.142,902 69.458,903 37.085,905 353.133,906 116.542,909 68.068,910 79.277,911 40.604,912 31.278,913 400.217,914 123.783,915 164.901,917 5.807,918 400.217,919 66.285,920 95.934,921 34.416,922 86.243,923 400.217,924 123.783,925 164.901,927 0.598,928 0.345,929 0.182,930 0.102,931 31,932 14,933 0.091,934 7,935 2,936 1.16,937 4.531,938 377.652,939 0.16,940 25,941 184.75,942 1,944 1,945 26.588,946 10.629,947 5.867,948 1.892,949 123.783,950 13.215,951 4.695,954 1.509,955 2.576,957 34.416,958 688.902,959 52,962 -3.971,964 41.326,968 -0.17,969 72.68,970 82.105,971 0.258,972 0.584,973 0.779,974 0.874,975 0.884,976 0.884,977 5.263,978 1.81,979 6.236,980 6.488,981 4.812,982 5.281,983 2.146,984 7.127,985 4.725,986 6.504,987 1.636,988 7.854,989 5.527,990 4.691,991 5.4,992 1.668,993 8.403,994 4.552,995 7.864,996 1.532,997 9.583,998 4.936,999 6.555,1000 7.569,1001 3.078,1002 11.421,1003 6.374,1004 9.261,1005 1.477,1006 11.377,1007 4.312,1008 7.209,1009 8.5,1010 3.205,1011 13.47,1012 6.968,1013 10.693,1014 1.36,1015 13.213,1016 3.601,1017 8.62,1018 10.24,1019 4.28,1020 16.115,1021 8.339,1022 12.15,1023 1,1024 15.079,1025 2.96,1026 9.59,1027 11.514,1028 4.673,1029 18.454,1030 9.248,1031 13.626,1032 0.882,1033 16.966,1034 2.275,1035 10.851,1036 13.114,1037 5.57,1038 21.007,1039 10.465,1040 3.481,1041 0.796,1042 18.869,1043 2.167,1044 11.954,1045 14.535,1046 6.097,1047 23.463,1048 11.507,1049 3.229,1050 13.085,1051 20.785,1052 1.957,1053 13.169,1054 16.089,1055 6.898,1056 26,1057 12.673,1058 3.018,1059 11.143,1060 22.713,1061 4.758,1062 14.33,1063 17.574,1064 7.497,1065 28.508,1066 13.775,1067 2.91,1068 9.811,1069 24.649,1070 4.402,1071 15.534,1072 19.114,1073 8.246,1074 31.049,1075 14.928,1076 2.615,1077 9.42,1078 26.594,1079 3.779,1080 16.723,1081 20.628,1082 8.884,1083 33.583,1084 16.058,1085 2.462,1086 8.859,1087 28.546,1088 3.269,1089 17.929,1090 22.165,1091 9.604,1092 36.131,1093 17.21,1094 2.16,1095 7.085,1096 30.504,1097 3.102,1098 19.133,1099 23.693,1100 10.263,1101 38.679,1102 18.356,1103 18713,1104 28234,1105 26.929,1106 48.864,1107 62.807,1108 64.369,1109 64.019,1110 62.284,1111 62.273,1112 78.034,1113 6.112,1114 190.28,1115 59.646,1116 5.906,1117 6.711,1118 7.12,1119 5.523,1120 5.481,1121 7.758,1122 3.451,1123 21.101,1124 5.282,1125 19.8,1126 1.532,1127 1.57,1128 1.561,1129 1.519,1130 1.519,1131 1.903,1132 0.149,1133 4.641,1134 1.455,1135 4.135,1136 4.139,1137 4.739,1138 4.108,1139 7.717,1140 4.046,1141 4.04,1142 4.052,1143 4.318,1144 4.035,1145 7.427,1146 3.982,1147 3.895,1148 3.95,1149 3.862,1150 3.76,1151 6.999,1152 3.755,1153 3.821,1154 3.835,1155 3.786,1156 3.734,1157 4.964,1158 3.677,1159 3.617,1160 3.665,1161 3.53,1162 3.504,1163 4.727,1164 3.495,1165 3.491,1166 3.516,1167 3.464,1168 3.402,1169 4.329,1170 3.347,1171 3.398,1172 3.453,1173 3.397,1174 3.259,1175 4.301,1176 3.236,1177 3.208,1178 3.248,1179 3.114,1180 3.086,1181 4.27,1182 3.049,1183 0.12,1184 0.115,1185 0.181,1186 0.108,1187 0.085,1188 4.906,1189 0.116,1190 4.711,1191 0.048,1192 7.437,1193 0.319,1194 4.413,1195 0.08,1196 3.481,1197 4.758,1198 1.984,1199 13.085,1200 3.282,1201 2.023,1202 2.016,1203 2.107,1204 2.112,1205 1.464,1206 2.134,1207 1.898,1208 1.88,1209 2.084,1210 2.047,1211 1.41,1212 2.061,1213 1.877,1214 1.823,1215 1.981,1216 1.964,1217 1.182,1218 1.979,1219 1.747,1220 1.726,1221 1.858,1222 1.89,1223 1.1,1224 1.927,1225 1.636,1226 1.595,1227 1.808,1228 1.775,1229 1.054,1230 1.799,1231 1.418,1232 1.4,1233 1.716,1234 1.638,1235 0.943,1236 1.676,1237 1.38,1238 1.341,1239 1.513,1240 1.512,1241 0.825,1242 1.559,1243 1.153,1244 1.102,1245 1.417,1246 1.376,1247 0.649,1248 1.429,1249 4.419,1251 5.79,1252 2.398,1253 7.348,1254 4.727,1255 8.988,1256 6.823,1257 10.672,1259 6.509,1265 6.03,1266 6.151,1270 -0.297,1271 1.827,1272 0.04,1273 45.033,1274 116.379,1275 263.908,1276 351.902,1277 394.838,1278 399.593,1279 399.593,1280 94.611,1281 8.108,1282 91.4,1283 128.02,1284 29,1285 13.003,1286 4.322,1287 3.585,1288 56.269,1289 152,1290 187,1291 0.168,1292 280.398,1293 484.73,1294 675.93,1295 37302,1297 26.209,1298 0.708,1299 0.633,1300 26.812,1301 23.422,1302 17.649,1303 0.43,1304 0.377,1305 13.243,1306 15.989,1307 12.618,1308 10.48,1309 18.878,1310 15.463,1311 17.247,1312 0.283,1313 0.228,1314 19.198,1315 13.913,1316 13.904,1317 0.176,1318 0.129,1319 15.733,1320 10.204,1321 11.683,1322 0.111,1323 0.075,1324 13.736,1325 7.876,1326 9.588,1327 0.072,1328 0.043,1329 11.515,1330 5.811,1331 0.26,1332 121.583,1333 0.193,1334 33.191,1335 0.476,1336 204,1337 518.883,1338 281.491,1339 546.631,1340 747.22,1341 506,1342 242,1343 509.525,1344 326.905,1345 570.141,1346 839.3,1347 535,1348 5.309}
{0 CHEMBL412073,1 0.926,2 9.815,3 3.29,4 10.823,5 276.534,6 11.802,7 0.632,8 4.84,9 4.838,10 4.785,11 4.696,12 6.057,13 4.725,14 5.481,15 5.475,16 5.46,17 5.38,18 6.796,19 5.399,20 5.858,21 5.854,22 5.823,23 5.732,24 7.026,25 5.76,26 6.163,27 6.153,28 6.131,29 6.002,30 7.615,31 6.036,32 6.299,33 6.295,34 6.235,35 6.073,36 7.67,37 6.123,38 6.344,39 6.35,40 6.265,41 6.123,42 7.666,43 6.164,44 6.294,45 6.292,46 6.216,47 6.016,48 7.675,49 6.076,50 6.047,51 6.044,52 5.919,53 5.573,54 7.606,55 5.683,56 0.484,57 0.44,58 1.988,59 3.31,60 101.789,61 1.796,62 1.007,63 0.681,64 0.962,65 4.937,66 245.75,67 2.471,68 1.106,69 1.003,70 2.283,71 7.463,72 287.38,73 4.079,74 2.251,75 1.498,76 2.15,77 10.854,78 499.832,79 5.372,80 2.209,81 1.893,82 4.839,83 14.092,84 469.29,85 7.671,86 2.021,87 1.845,88 3.871,89 13.901,90 435.412,91 8.932,92 2.177,93 1.83,94 1.577,95 13.565,96 527.046,97 7.637,98 2.234,99 1.785,100 1.861,101 13.231,102 538.4,103 7.442,105 181,106 234,107 0.126,108 0.353,109 0.446,110 0.532,111 0.587,112 0.624,113 3.561,114 0.739,115 -8.55,116 -8.28,117 -7.61,120 79.3,124 9,141 54,153 6,162 6,164 6,165 96,166 6,168 6,171 6,173 6,176 192,177 12,178 3,182 12,183 6,187 12,188 6,190 264,191 24,194 3,195 24,198 6,199 3,200 24,203 324,204 48,207 48,212 48,215 330,216 48,220 48,225 48,227 333,228 60,231 60,236 60,239 264,240 72,245 72,250 72,253 114,254 48,255 12,258 48,259 24,263 48,264 24,266 36,267 48,270 5742,271 57.709,272 57.709,273 57.709,274 57.709,275 57.709,276 50.033,277 60.39,278 28.407,279 57.741,280 56.534,281 56.534,282 56.534,283 56.534,284 56.534,285 42.734,286 102.884,287 13.478,288 56.563,289 5.517,290 3.853,291 3.171,292 2.537,293 2.137,294 1.861,295 4.242,303 2202,304 8.485,307 336.329,313 0.664,314 188.626,318 0.17,319 0.33,321 1,322 0.17,323 0.5,324 0.31,325 174,326 795,327 5.834,328 5.075,329 10.152,330 5.728,331 4.728,332 5.872,333 2.563,334 25.171,335 4.728,336 5.716,337 5.018,338 10.129,339 5.647,340 4.647,341 5.498,342 2.563,343 25.045,344 4.647,345 5.716,346 5.018,347 10.129,348 5.647,349 4.647,350 5.498,351 2.563,352 25.045,353 4.647,354 5.361,355 3.968,356 7.944,357 4.883,358 3.883,359 5.308,360 2.176,361 15.658,362 3.883,363 5.103,364 3.845,365 7.867,366 4.644,367 3.644,368 4.884,369 2.176,370 14.991,371 3.644,372 5.103,373 3.845,374 7.867,375 4.644,376 3.644,377 4.884,378 2.176,379 14.991,380 3.644,381 4.794,382 3.832,383 7.848,384 4.423,385 3.423,386 4.795,387 0.68,388 14.657,389 3.421,390 4.775,391 3.585,392 7.609,393 4.342,394 3.342,395 4.795,396 0.68,397 13.956,398 3.342,399 4.775,400 3.585,401 7.609,402 4.342,403 3.342,404 4.761,405 0.68,406 13.956,407 3.342,408 4.709,409 3.481,410 7.601,411 4.336,412 3.336,413 4.235,414 0.68,415 13.791,416 3.336,417 4.468,418 3.448,419 7.399,420 4.06,421 3.06,422 4.207,423 0.68,424 12.605,425 3.059,426 4.468,427 3.448,428 7.399,429 4.06,430 3.06,431 4.207,432 0.68,433 12.605,434 3.059,435 4.259,436 3.385,437 7.138,438 3.841,439 2.841,440 4.017,442 11.919,443 2.84,444 4.192,445 3.385,446 7.111,447 3.82,448 2.819,449 3.818,451 11.842,452 2.818,453 4.192,454 3.385,455 7.111,456 3.82,457 2.819,458 3.818,460 11.842,461 2.818,462 38.5,463 0.475,464 3.964,465 0.049,466 123,467 1.519,468 63,469 0.778,470 60,471 0.741,472 128.318,473 1.584,474 67.7,475 0.778,476 159.355,477 1.967,478 20.624,479 0.255,480 18.751,481 0.231,482 0.104,483 0.117,484 0.779,490 0.673,491 0.303,492 0.604,493 0.277,494 0.605,495 0.224,496 0.21,497 0.235,498 0.187,499 0.234,500 0.254,501 0.223,502 0.527,503 0.378,504 0.371,505 0.358,506 0.584,507 0.269,508 0.429,509 0.442,510 0.308,511 0.434,512 0.427,513 0.371,514 0.884,515 0.71,516 0.658,517 0.684,518 0.866,519 0.557,520 0.718,521 0.803,522 0.64,523 0.802,524 0.71,525 0.765,526 0.959,527 1.005,528 0.721,529 0.99,530 0.997,531 0.867,532 1.534,533 1.627,534 1.19,535 1.607,536 1.574,537 1.429,538 10.5,539 1.906,540 15.667,541 17.5,542 13.753,543 9.62,544 7.718,545 7.241,546 5.338,547 3.532,548 133593,549 333996,550 2.632,551 6.9,556 6,560 1.974,561 2.365,562 3.13,563 2.246,569 80.519,570 0.926,571 2.59,572 3.272,573 3.906,574 4.306,575 4.582,576 1.541,577 3.662,578 6.326,579 3.234,580 10477.3,581 11.525,582 209521,587 560.536,588 1.081,589 6.266,590 0.092,591 0.012,592 0.07,593 0.054,594 0.032,595 0.02,596 0.016,597 0.016,598 0.017,599 0.015,600 0.344,602 0.38,603 0.765,604 493.908,605 -0.087,606 0.312,607 -0.204,608 0.327,609 -0.037,610 0.283,611 0.236,612 0.256,613 0.046,614 0.244,615 0.21,616 0.144,617 -0.018,618 0.167,619 -0.068,620 0.173,621 -0.046,622 0.155,623 0.187,624 0.172,625 0.049,626 0.161,627 0.197,628 0.087,629 -0.108,630 0.048,631 -0.093,632 0.057,633 -0.086,634 0.072,635 -0.033,636 -0.056,637 0.06,638 -0.05,639 -0.023,640 -0.002,641 -0.097,642 -0.16,643 0.002,644 -0.156,645 -0.127,646 -0.107,647 -0.23,648 -0.42,650 -0.414,651 -0.265,652 -0.301,653 3.872,654 8.843,655 0.778,656 48.362,657 1.041,658 1.043,659 7.323,660 53.629,661 0.882,662 4.745,663 5.46,664 6.176,665 6.893,666 7.554,667 8.21,668 8.874,669 9.54,670 10.183,671 10.825,672 6.085,673 0.91,674 1026.75,675 4.745,676 6.547,677 7.67,678 8.809,679 9.948,680 11.093,681 12.237,682 13.384,683 14.531,684 15.679,698 36,704 18,706 72,720 87,723 78,724 14,725 114,727 120,728 69,729 54,730 54,735 34,736 4,742 9,744 9,749 60,750 9,754 6,759 6,763 6,768 6,769 12,770 6,771 12,780 0.029,781 12,789 3,802 6,811 6,813 1,821 81,827 6,835 9,840 13.8,842 6,843 6,847 34.25,848 19.45,849 14.396,850 6.925,851 2.321,852 1.314,853 1.602,854 2.762,855 9.861,856 5.056,857 6.046,858 7.054,859 8.092,860 9.094,861 10.078,862 11.08,863 12.078,864 13.048,865 14.023,866 0.222,867 324,868 32.087,870 20.183,871 7.836,872 59.243,874 68.325,877 2.336,878 189.25,883 155.426,886 406.97,889 155.426,890 406.97,895 412.429,896 149.967,901 155.426,902 406.97,906 406.97,910 155.426,914 406.97,915 155.426,919 155.426,922 406.97,924 406.97,925 155.426,927 0.665,928 0.456,929 0.311,930 0.192,931 189,932 78,933 0.05,934 6,935 93,936 3,937 5.874,938 2233.45,939 2.952,940 3,941 367.146,945 32.773,946 6.827,947 1.512,948 35.015,949 406.97,955 10.098,957 256.1,958 562.396,959 156,964 95.057,968 -8.994,969 90.578,970 90.758,971 0.144,972 0.402,973 0.508,974 0.606,975 0.668,976 0.711,977 6.538,978 3.342,979 7.82,980 14.657,981 6.151,982 6.738,983 4.106,984 9.096,985 6.15,986 7.935,987 3.342,988 9.665,989 13.956,990 6.389,991 7.154,992 3.942,993 11.037,994 6.386,995 9.44,996 3.336,997 11.62,998 13.956,999 8.278,1000 9.387,1001 5.519,1002 14.495,1003 8.277,1004 10.985,1005 3.06,1006 13.653,1007 13.791,1008 9.334,1009 10.568,1010 5.993,1011 17.359,1012 9.332,1013 12.569,1014 3.06,1015 15.745,1016 12.605,1017 10.874,1018 12.393,1019 7.172,1020 20.576,1021 10.873,1022 14.182,1023 2.841,1024 17.885,1025 12.605,1026 12.233,1027 13.883,1028 7.887,1029 23.713,1030 12.232,1031 15.818,1032 2.819,1033 20.063,1034 11.919,1035 13.723,1036 15.597,1037 8.918,1038 26.92,1039 13.722,1040 4.728,1041 2.819,1042 22.273,1043 11.842,1044 15.186,1045 17.211,1046 9.742,1047 30.12,1048 15.185,1049 4.647,1050 25.171,1051 24.508,1052 11.842,1053 16.687,1054 18.902,1055 10.713,1056 33.335,1057 16.686,1058 4.647,1059 25.045,1060 26.762,1061 5.872,1062 18.19,1063 20.569,1064 11.59,1065 36.552,1066 18.189,1067 3.883,1068 25.045,1069 29.032,1070 5.498,1071 19.706,1072 22.264,1073 12.537,1074 39.771,1075 19.704,1076 3.644,1077 15.658,1078 31.314,1079 5.498,1080 21.227,1081 23.956,1082 13.441,1083 42.992,1084 21.225,1085 3.644,1086 14.991,1087 33.604,1088 5.308,1089 22.753,1090 25.661,1091 14.379,1092 46.213,1093 22.752,1094 3.423,1095 14.991,1096 35.9,1097 4.884,1098 24.284,1099 27.368,1100 15.298,1101 49.435,1102 24.282,1103 99798,1104 157812,1105 78.393,1106 76.738,1107 206.519,1108 211.757,1109 217.95,1110 204.915,1111 204.745,1112 275.114,1113 36.598,1114 857.985,1115 204.521,1116 6.766,1117 7.075,1118 9.152,1119 6.728,1120 6.728,1121 8.872,1122 4.315,1123 35.976,1124 6.728,1125 42.796,1126 1.812,1127 1.858,1128 1.912,1129 1.798,1130 1.796,1131 2.413,1132 0.321,1133 7.526,1134 1.794,1135 4.687,1136 4.687,1137 4.687,1138 4.685,1139 7.501,1140 4.685,1141 4.344,1142 4.343,1143 4.344,1144 4.34,1145 7.485,1146 4.341,1147 4.344,1148 4.343,1149 4.344,1150 4.34,1151 7.485,1152 4.341,1153 4.315,1154 4.314,1155 4.314,1156 4.309,1157 7.456,1158 4.31,1159 3.943,1160 3.937,1161 3.941,1162 3.909,1163 7.456,1164 3.916,1165 3.943,1166 3.937,1167 3.941,1168 3.909,1169 7.456,1170 3.916,1171 3.777,1172 3.776,1173 3.777,1174 3.774,1175 6.359,1176 3.774,1177 3.772,1178 3.771,1179 3.772,1180 3.771,1181 6.353,1182 3.771,1183 0.051,1184 0.045,1185 0.089,1186 0.05,1187 0.041,1188 5.834,1189 0.052,1190 5.075,1191 0.022,1192 10.152,1193 0.221,1194 5.728,1195 0.041,1196 4.728,1197 5.872,1198 2.563,1199 25.171,1200 4.728,1201 2.178,1202 2.178,1203 2.178,1204 2.178,1205 1.514,1206 2.178,1207 2.178,1208 2.178,1209 2.178,1210 2.178,1211 1.514,1212 2.178,1213 2.175,1214 2.175,1215 2.175,1216 2.175,1217 1.51,1218 2.175,1219 2.111,1220 2.111,1221 2.111,1222 2.111,1223 1.448,1224 2.111,1225 1.97,1226 1.97,1227 1.97,1228 1.971,1229 1.364,1230 1.97,1231 1.97,1232 1.97,1233 1.97,1234 1.971,1235 1.364,1236 1.97,1237 1.928,1238 1.928,1239 1.928,1240 1.929,1241 1.327,1242 1.929,1243 1.578,1244 1.586,1245 1.586,1246 1.73,1247 0.957,1248 1.672,1249 5.434,1250 2.944,1251 7.06,1252 5.969,1253 8.907,1254 8.517,1255 10.871,1256 10.919,1257 12.91,1264 77.256,1272 -19.183,1273 79.158,1274 80.519,1275 225.321,1276 284.644,1277 339.815,1278 374.644,1279 398.644,1280 179.624,1281 7.579,1282 223.8,1283 223.8,1284 189,1285 16.061,1286 6.304,1287 5.426,1288 59.962,1289 378,1290 204,1291 0.099,1292 372.618,1293 929.58,1294 900.947,1295 19536,1297 51.141,1298 0.631,1299 0.489,1300 51.141,1301 39.633,1302 39.374,1303 0.345,1304 0.246,1305 27.892,1306 38.55,1307 27.571,1308 21.447,1309 39.374,1310 28.066,1311 45.307,1312 0.194,1313 0.123,1314 45.307,1315 28.831,1316 49.99,1317 0.104,1318 0.062,1319 49.99,1320 29.675,1321 59.062,1322 0.06,1323 0.031,1324 59.062,1325 30.324,1326 63.719,1327 0.033,1328 0.015,1329 63.719,1330 29.487,1331 0.14,1332 243.174,1333 0.113,1334 54.745,1335 0.341,1336 696,1337 1589.31,1338 722.569,1339 1560.29,1340 2344.62,1341 1470,1342 1071,1343 1936,1344 1094.92,1345 1972.09,1346 3233.88,1347 1896,1348 4.222}
{0 CHEMBL413150,1 1.586,2 22.074,3 5.003,4 25.027,5 243.095,6 6.898,7 0.164,8 4.988,9 5.11,10 4.461,11 4.474,12 6.063,13 3.604,14 5.584,15 5.761,16 4.876,17 4.911,18 6.665,19 3.979,20 5.952,21 6.16,22 4.99,23 5.119,24 7,25 4.108,26 6.098,27 6.334,28 5.02,29 5.158,30 7.164,31 4.095,32 6.082,33 6.302,34 5.072,35 5.159,36 7.352,37 4.083,38 6.105,39 6.328,40 5.091,41 5.25,42 7.204,43 4.051,44 6.212,45 6.446,46 5.148,47 5.304,48 7.276,49 3.991,50 6.29,51 6.529,52 5.189,53 5.329,54 7.474,55 3.844,56 0.266,57 1.985,58 31.216,59 13.549,60 37.732,61 5.941,62 0.914,63 3.287,64 59.79,65 23.14,66 143.744,67 10.295,68 1.675,69 4.302,70 90.616,71 31.531,72 233.172,73 12.922,74 2.031,75 4.719,76 107.77,77 33.715,78 289.909,79 13.497,80 3.005,81 4.616,82 106.822,83 32.498,84 478.078,85 12.767,86 2.286,87 5.006,88 106.728,89 36.895,90 343.127,91 12.644,92 1.947,93 5.245,94 118.708,95 38.535,96 319.761,97 12.582,98 3.205,99 5.329,100 131.259,101 39.861,102 521.602,103 12.223,104 1,105 324,106 107,107 0.218,108 0.496,109 0.701,110 0.828,111 0.858,112 0.868,113 4.236,114 0.984,115 0.22,116 0.05,117 -0.16,120 35.8,121 7,122 9,123 4,124 1,126 1,128 6,129 1,130 1,140 9,141 1,142 2,153 7,158 1,159 1,160 1,162 2,164 2,165 23,166 2,167 2,168 11,171 6,173 7,176 23,177 1,179 1,181 1,182 19,184 1,185 8,186 3,187 11,188 1,189 1,190 16,193 1,195 23,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 9,206 8,207 12,208 1,210 6,211 2,212 10,213 1,215 17,217 1,219 3,220 14,221 1,222 1,223 7,224 4,225 13,226 1,227 28,228 1,229 1,230 1,231 25,232 1,234 1,236 6,237 2,239 22,240 3,243 1,244 7,245 18,246 1,247 1,248 6,249 2,250 8,251 1,252 1,253 27,254 2,255 1,256 1,257 3,258 16,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 39,267 1,268 2,270 15100,271 43.889,272 43.889,273 43.889,274 43.889,275 43.889,276 41.374,277 48.559,278 25.229,279 44.47,280 35.92,281 35.92,282 35.92,283 35.92,284 35.92,285 31.895,286 54.525,287 11.943,288 36.885,289 5.512,290 3.487,291 2,292 1.071,293 0.856,294 0.783,295 4.924,303 3177,304 7.906,305 168.134,306 439.233,307 1054.05,310 710.146,313 3.198,314 123.624,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 150.5,326 1501,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.677,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.41,360 1.993,361 9.697,362 2.931,363 4.088,364 3.668,365 6.223,366 3.828,367 2.842,368 3.282,369 1.956,370 9.153,371 2.796,372 3.994,373 3.612,374 6.099,375 3.738,376 2.768,377 3.196,378 1.928,379 8.796,380 2.7,381 3.887,382 3.585,383 6.063,384 3.682,385 2.72,386 3.146,387 1.905,388 8.593,389 2.624,390 3.855,391 3.527,392 5.799,393 3.58,394 2.624,395 3.017,396 0.86,397 7.786,398 2.567,399 3.763,400 3.315,401 5.641,402 3.539,403 2.562,404 2.909,405 0.632,406 7.733,407 2.413,408 3.619,409 3.075,410 5.615,411 3.419,412 2.45,413 2.752,414 0.382,415 6.944,416 2.328,417 3.527,418 2.799,419 5.329,420 3.186,421 2.179,422 2.69,423 0.265,424 6.57,425 2.166,426 3.452,427 2.67,428 5.301,429 3.072,430 2.075,431 2.609,432 0.159,433 6.094,434 2.055,435 3.418,436 2.596,437 4.955,438 3.055,439 2.066,440 2.592,441 0.107,442 5.865,443 2.027,444 3.245,445 2.441,446 4.69,447 3.041,448 2.056,449 2.273,450 0.014,451 5.159,452 1.998,453 3.004,454 2.316,455 4.66,456 2.92,457 1.953,458 2.024,460 5.09,461 1.88,462 31.567,463 0.464,464 2.35,465 0.035,466 66.5,467 0.978,468 23,469 0.338,470 43.5,471 0.64,472 110.942,473 1.632,474 79.433,475 0.58,476 76.07,477 1.119,478 11.838,479 0.174,480 20.242,481 0.298,482 0.219,483 0.032,484 0.366,490 0.85,491 1.404,492 0.879,493 1.26,494 0.658,495 0.915,496 0.59,497 1.289,498 0.83,499 1.188,500 0.457,501 0.981,502 1.033,503 1.136,504 1.072,505 1.149,506 0.909,507 1.068,508 1.269,509 1.129,510 1.039,511 1.066,512 1.085,513 0.956,514 1.144,515 1.007,516 1.051,517 0.945,518 1.118,519 0.959,520 0.98,521 1.127,522 1.024,523 1.131,524 0.983,525 0.92,526 1.02,527 1.116,528 1.005,529 1.087,530 0.942,531 1.017,532 1.021,533 0.905,534 1.002,535 0.89,536 1.063,537 0.966,538 18.5,539 1.046,540 9.778,541 6.285,542 5.157,543 2.813,544 2.318,545 1.965,546 1.594,547 1.168,548 110089,549 292712,550 1.969,551 50.4,552 23,553 17,554 1,556 8,557 4,558 14,559 2,560 1.924,561 1.782,562 4.332,563 3.959,569 217.292,570 1.586,571 3.611,572 5.098,573 6.027,574 6.242,575 6.315,576 3.819,577 5.683,578 6.056,579 4.583,580 10439.5,581 10.901,582 273185,587 972.43,588 1.709,589 5.975,590 0.253,591 0.008,592 0.093,593 0.057,594 0.046,595 0.024,596 0.019,597 0.015,598 0.012,599 0.009,600 0.536,601 0.17,602 0.38,603 2.024,604 447.499,605 -0.126,606 -0.064,607 0.022,608 -0.013,609 -0.06,610 0.03,611 0.176,612 -0.086,613 0.099,614 -0.044,615 0.14,616 -0.031,617 -0.015,618 -0.001,619 -0.086,620 -0.069,621 -0.058,622 -0.109,623 -0.134,624 -0.018,625 -0.023,626 -0.005,627 -0.077,628 0.007,629 0.07,630 0.069,631 -0.02,632 0.072,633 0.112,634 -0.019,635 0.03,636 0.039,637 -0.037,638 -0.015,639 -0.005,640 0.036,641 -0.063,642 -0.064,643 -0.02,644 -0.069,645 -0.012,646 -0.047,647 0.042,648 0.043,649 0.008,650 0.044,651 0.072,652 0.015,653 3.015,654 7.519,655 0.397,656 129.713,657 1.005,658 1.134,659 -1.446,660 2.092,661 0.629,662 4.304,663 4.682,664 4.942,665 5.182,666 5.394,667 5.501,668 5.635,669 5.787,670 5.875,671 5.984,672 12.691,673 0.651,674 945.05,675 4.304,676 5.889,677 6.749,678 7.653,679 8.54,680 9.452,681 10.356,682 11.276,683 12.191,684 13.121,685 4.4,686 1,692 5,699 9,704 3,706 12,718 1,720 137,721 1,723 19,724 2,725 73,727 142,728 49,729 12,730 3,731 9,735 6,736 9,741 7,742 1,744 1,745 6,746 3,748 15,749 19,750 30,751 5,754 7,759 7,763 7,768 69,769 18,770 8,771 19,775 6,780 0.667,781 12,786 1,787 1,788 2,789 4,792 2,800 4,801 1,802 2,807 1,811 2,813 4,817 7,821 68,822 1,827 2,828 10,829 4,830 3,832 1,833 11,834 1,835 2,840 8.8,842 2,843 7,844 2,845 1,847 38.167,848 25.6,849 14.653,850 8.636,851 1.601,852 1.17,853 0.959,854 17.746,855 11.037,856 4.466,857 4.942,858 5.283,859 5.637,860 6.006,861 6.011,862 6.246,863 6.557,864 6.761,865 7.005,866 0.933,867 111,868 25.938,870 11.779,871 7.995,872 48.209,874 41.254,877 2.495,878 169.667,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.597,928 0.341,929 0.173,930 0.094,931 47,932 27,933 0.155,934 22,935 3,936 1.185,937 6.6,938 825.428,939 0.222,940 26,941 399.947,945 53.162,946 22.699,947 12.781,949 150.083,950 17.329,955 2.451,957 60.694,958 547.756,959 86,964 91.807,968 -6.021,969 137.701,970 155.318,971 0.223,972 0.509,973 0.718,974 0.849,975 0.879,976 0.89,977 5.781,978 2.624,979 6.795,980 8.593,981 5.371,982 5.631,983 3.974,984 7.687,985 5.318,986 6.972,987 2.562,988 8.42,989 7.786,990 5.231,991 5.527,992 3.633,993 8.954,994 5.154,995 8.289,996 2.45,997 10.159,998 7.733,999 7.089,1000 7.572,1001 5.164,1002 12.083,1003 6.978,1004 9.633,1005 2.179,1006 11.972,1007 6.944,1008 7.754,1009 8.191,1010 5.443,1011 14.258,1012 7.621,1013 11.011,1014 2.075,1015 13.837,1016 6.57,1017 9.173,1018 9.804,1019 6.552,1020 17.048,1021 9.011,1022 12.413,1023 2.066,1024 15.742,1025 6.094,1026 10.187,1027 10.722,1028 7.097,1029 19.579,1030 10.006,1031 13.834,1032 2.056,1033 17.679,1034 5.865,1035 11.482,1036 12.183,1037 8.04,1038 22.31,1039 11.279,1040 3.847,1041 1.953,1042 19.643,1043 5.159,1044 12.655,1045 13.247,1046 8.718,1047 24.974,1048 12.434,1049 3.203,1050 15.757,1051 21.629,1052 5.09,1053 13.932,1054 14.644,1055 9.589,1056 27.705,1057 13.693,1058 3.173,1059 12.336,1060 23.634,1061 3.847,1062 15.18,1063 15.792,1064 10.339,1065 30.421,1066 14.925,1067 2.989,1068 11.03,1069 25.653,1070 3.677,1071 16.468,1072 17.157,1073 11.182,1074 33.16,1075 16.197,1076 2.842,1077 9.697,1078 27.685,1079 3.454,1080 17.755,1081 18.358,1082 11.971,1083 35.897,1084 17.469,1085 2.768,1086 9.153,1087 29.728,1088 3.41,1089 19.06,1090 19.705,1091 12.805,1092 38.644,1093 18.759,1094 2.72,1095 8.796,1096 31.779,1097 3.282,1098 20.37,1099 20.943,1100 13.616,1101 41.39,1102 20.052,1103 105654,1104 172561,1105 46.062,1106 86.194,1107 113.201,1108 117.414,1109 116.829,1110 111.511,1111 111.408,1112 127.268,1113 33.809,1114 335.966,1115 108.681,1116 5.847,1117 5.976,1118 7.957,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 51.035,1126 1.551,1127 1.608,1128 1.6,1129 1.528,1130 1.526,1131 1.743,1132 0.463,1133 4.602,1134 1.489,1135 4.106,1136 4.138,1137 4.024,1138 4.021,1139 7.479,1140 3.921,1141 3.985,1142 4.021,1143 3.913,1144 3.893,1145 7.472,1146 3.837,1147 3.926,1148 3.959,1149 3.857,1150 3.782,1151 7.439,1152 3.649,1153 3.863,1154 3.91,1155 3.785,1156 3.775,1157 7.429,1158 3.473,1159 3.836,1160 3.869,1161 3.759,1162 3.684,1163 7.426,1164 3.293,1165 3.772,1166 3.82,1167 3.683,1168 3.607,1169 7.423,1170 3.068,1171 3.694,1172 3.747,1173 3.593,1174 3.569,1175 7.421,1176 2.932,1177 3.657,1178 3.699,1179 3.549,1180 3.533,1181 6.352,1182 2.771,1183 0.066,1184 0.054,1185 0.112,1186 0.066,1187 0.053,1188 4.847,1189 0.053,1190 3.976,1191 0.032,1192 8.155,1193 0.216,1194 4.827,1195 0.052,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.936,1208 1.914,1209 2.056,1210 2.033,1211 1.303,1212 2.005,1213 1.85,1214 1.821,1215 2.003,1216 2.018,1217 1.277,1218 1.892,1219 1.816,1220 1.769,1221 1.985,1222 1.962,1223 1.239,1224 1.772,1225 1.755,1226 1.709,1227 1.959,1228 1.938,1229 1.216,1230 1.588,1231 1.699,1232 1.65,1233 1.913,1234 1.893,1235 1.205,1236 1.503,1237 1.663,1238 1.619,1239 1.867,1240 1.84,1241 1.052,1242 1.389,1243 1.613,1244 1.572,1245 1.814,1246 1.825,1247 1.05,1248 1.224,1249 4.99,1251 6.368,1252 3.045,1253 7.931,1254 5.416,1255 9.589,1256 7.564,1257 11.311,1259 13.547,1263 5.683,1264 18.367,1265 2.589,1266 10.957,1267 19.6,1269 -0.722,1270 -7.012,1271 1.498,1272 -0.405,1273 33.733,1274 217.292,1275 494.652,1276 698.404,1277 825.636,1278 855.146,1279 865.146,1280 316.002,1281 9.436,1282 265.02,1283 265.02,1284 32,1285 13.627,1286 4.322,1287 3.807,1288 130.404,1289 515,1290 582,1291 0.117,1292 496.562,1293 933.34,1294 1203.37,1295 207536,1297 49.664,1298 0.73,1299 0.591,1300 49.664,1301 40.197,1302 32.08,1303 0.439,1304 0.328,1305 23.66,1306 30.795,1307 22.924,1308 18.955,1309 32.08,1310 23.948,1311 31.032,1312 0.29,1313 0.191,1314 31.032,1315 20.398,1316 24.549,1317 0.177,1318 0.105,1319 24.549,1320 14.598,1321 19.703,1322 0.111,1323 0.058,1324 19.703,1325 10.303,1326 15.386,1327 0.07,1328 0.032,1329 15.386,1330 7.038,1331 0.189,1332 201.956,1333 0.147,1334 54.622,1335 0.311,1336 360,1337 1082.31,1338 404.023,1339 1012.1,1340 1329.21,1341 936,1342 426,1343 930.491,1344 467.595,1345 927.767,1346 1363.04,1347 873,1348 4.222}
{0 CHEMBL418568,1 1.755,2 11.919,3 2.116,4 4.479,5 130.842,6 8.136,7 0.308,8 4.235,9 4.345,10 3.844,11 3.734,12 5.477,13 3.745,14 4.766,15 4.92,16 4.249,17 4.087,18 6.163,19 4.093,20 5.036,21 5.202,22 4.418,23 4.225,24 6.652,25 4.223,26 5.107,27 5.301,28 4.366,29 4.23,30 6.503,31 4.229,32 5.136,33 5.311,34 4.443,35 4.255,36 6.659,37 4.276,38 5.203,39 5.392,40 4.473,41 4.273,42 6.743,43 4.3,44 5.172,45 5.341,46 4.416,47 4.265,48 6.682,49 4.281,50 5.204,51 5.415,52 4.347,53 4.238,54 6.593,55 4.231,56 0.201,57 1.032,58 10.779,59 5.662,60 34.42,61 6.57,62 0.785,63 1.751,64 22.29,65 9.254,66 108.574,67 11.185,68 1.557,69 1.9,70 31.94,71 11.494,72 243.546,73 14.161,74 1.292,75 2.051,76 36.231,77 11.639,78 207.24,79 14.579,80 1.426,81 2.262,82 36.643,83 12.39,84 236.19,85 13.907,86 1.628,87 2.251,88 41.345,89 12.743,90 260.656,91 14.606,92 1.503,93 2.237,94 37.865,95 12.42,96 226.094,97 13.751,98 1.5,99 2.102,100 43.021,101 13.11,102 235.596,103 16.097,105 87,106 55,107 0.28,108 0.633,109 0.8,110 0.862,111 0.884,112 0.884,113 3.642,114 0.876,115 -3.62,116 -3.59,117 -3.42,120 41.3,121 2,122 1,126 2,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 4,158 1,159 1,160 1,165 14,167 3,168 3,171 1,173 1,176 16,181 1,182 5,184 3,185 5,187 1,190 10,194 3,195 8,200 2,203 2,206 3,207 13,210 4,212 4,217 1,219 1,220 12,222 1,223 1,224 1,225 5,226 1,229 2,230 2,231 15,236 5,239 2,242 2,244 4,245 12,250 5,253 4,256 3,258 10,260 1,261 1,263 1,266 8,268 1,270 2665,271 24.109,272 24.109,273 24.109,274 24.109,275 24.109,276 21.67,277 23.883,278 14.153,279 24.567,280 19.124,281 19.124,282 19.124,283 19.124,284 19.124,285 15.346,286 21.005,287 6.596,288 19.788,289 4.223,290 2.01,291 0.965,292 0.576,293 0.437,294 0.437,295 4.315,302 1,303 912,304 5.148,307 418.651,313 1.457,314 78.543,317 0.75,318 0.5,319 0.67,320 0.9,321 0.5,322 0.67,323 0.5,324 0.64,325 84,326 441,327 4.63,328 4.668,329 7.668,330 4.444,331 3.517,332 3.937,333 3.599,334 13.509,335 3.253,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 2.192,343 10.975,344 3.034,345 4.042,346 3.613,347 5.987,348 3.675,349 2.694,350 3.518,351 1.961,352 8.35,353 2.646,354 3.945,355 3.471,356 5.958,357 3.641,358 2.646,359 3.451,360 1.505,361 8.231,362 2.613,363 3.727,364 3.054,365 5.319,366 3.387,367 2.39,368 2.938,369 1.252,370 6.735,371 2.372,372 3.594,373 2.934,374 5.275,375 3.205,376 2.219,377 2.879,378 0.78,379 6.359,380 2.181,381 3.452,382 2.682,383 5.05,384 3.1,385 2.093,386 2.601,387 0.318,388 5.856,389 2.092,390 3.1,391 2.544,392 4.811,393 2.684,394 1.743,395 2.149,396 0.184,397 4.869,398 1.636,399 2.956,400 2.142,401 4.563,402 2.579,403 1.627,404 2.091,405 0.137,406 4.249,407 1.537,408 2.915,409 1.988,410 4.21,411 2.389,412 1.414,413 2.01,415 3.659,416 1.372,417 2.746,418 1.849,419 3.733,420 2.383,421 1.41,422 1.745,424 3.058,425 1.344,426 2.61,427 1.807,428 3.541,429 2.118,430 1.126,431 1.639,433 2.542,434 1.114,435 2.5,436 1.491,437 3.478,438 2,439 1,440 1.5,442 2.136,443 1,444 2.198,445 1.475,446 3.247,447 1.888,448 0.896,449 1.038,451 1.89,452 0.872,453 2.019,454 1.165,455 3.208,456 1.609,457 0.613,458 0.775,460 1.21,461 0.585,462 16.838,463 0.455,464 1.133,465 0.031,466 44.5,467 1.203,468 21,469 0.568,470 23.5,471 0.635,472 35.412,473 0.957,474 41.362,475 0.657,476 46.406,477 1.254,478 9.453,479 0.255,480 8.086,481 0.219,482 0.196,483 0.03,484 0.321,486 2,490 0.645,491 1.131,492 0.7,493 1.117,494 0.602,495 0.963,496 0.646,497 1.068,498 0.73,499 1.06,500 0.603,501 0.956,502 0.648,503 0.979,504 0.848,505 1.04,506 0.693,507 1.024,508 0.998,509 0.984,510 0.951,511 0.954,512 1.086,513 0.935,514 1.302,515 1.283,516 1.092,517 1.071,518 1.341,519 1.018,520 1.342,521 1.073,522 1.03,523 0.887,524 1.309,525 0.852,526 1.425,527 1.174,528 1.242,529 1.121,530 1.507,531 1.112,532 1.203,533 0.967,534 1,535 0.872,536 1.201,537 0.868,538 9,539 0.388,540 5.333,541 3.313,542 2.538,543 1.736,544 1.2,545 0.878,546 0.703,547 0.564,548 18053,549 60881,550 1.942,551 41.3,552 3,553 14,554 1,556 3,558 5,560 1.789,561 1.769,562 3.52,563 0.836,569 110.536,570 1.755,571 3.968,572 5.012,573 5.402,574 5.541,575 5.541,576 2.82,577 4.811,578 5.184,579 3.695,580 2460.78,581 9.169,582 39866.7,587 376.569,588 1.68,589 5.102,590 0.231,591 0.007,592 0.097,593 0.054,594 0.043,595 0.028,596 0.018,597 0.015,598 0.012,599 0.01,600 0.515,601 0.33,602 0.75,603 1.341,604 201.345,605 -0.057,606 -0.082,607 0.014,608 -0.028,609 -0.079,610 0.012,611 0.167,612 -0.005,613 0.12,614 -0.025,615 0.105,616 0.014,617 0.338,618 0.034,619 0.078,620 -0.051,621 0.263,622 -0.078,623 -0.016,624 -0.026,625 0.014,626 0.001,627 -0.051,628 0.014,629 -0.084,630 -0.074,631 -0.104,632 -0.085,633 -0.076,634 -0.096,635 -0.114,636 0.011,637 -0.009,638 0.067,639 -0.035,640 0.071,641 -0.181,642 -0.046,643 -0.255,644 -0.149,645 -0.181,646 -0.205,647 -0.113,648 -0.04,649 0.03,650 0.076,651 -0.094,652 0.096,653 5.745,654 6.611,655 0.486,656 36.079,657 1.027,658 1.138,659 2.388,660 5.705,661 0.656,662 3.689,663 4.025,664 4.263,665 4.443,666 4.635,667 4.663,668 4.71,669 4.804,670 4.852,671 4.868,672 7.357,673 0.647,674 512.56,675 3.689,676 5.242,677 6.084,678 6.963,679 7.828,680 8.713,681 9.586,682 10.474,683 11.352,684 12.241,685 6.3,686 1,692 2,694 1,699 9,704 3,706 12,720 63,723 18,724 2,725 39,727 65,728 26,729 12,730 3,731 9,732 4,735 3,736 3,741 2,743 1,748 3,749 19,750 7,754 6,759 4,761 1,762 1,763 6,766 2,768 26,769 11,770 3,771 11,775 4,776 1,780 1,781 5,789 3,798 1,800 1,801 1,803 1,805 1,807 1,813 3,817 2,819 2,821 37,822 1,828 3,829 1,830 1,833 1,834 1,835 1,839 2,840 7.9,843 4,845 1,847 20.917,848 11.769,849 8.222,850 3.659,851 2.422,852 1.324,853 0.946,854 9.038,855 9.896,856 3.951,857 4.477,858 4.942,859 5.339,860 5.803,861 5.882,862 6.163,863 6.421,864 6.662,865 6.774,866 0.875,867 61,868 14.481,870 7.034,871 8.34,872 24.837,874 19.795,877 2.84,878 105.083,882 270.735,883 159.416,884 70.818,886 111.58,887 29.92,889 159.416,890 382.315,891 100.738,892 17.65,893 72.312,894 85.286,895 127.398,896 69.086,897 11.771,898 258.964,900 270.735,901 230.234,902 141.5,905 211.88,906 200.355,908 1.824,909 97.701,910 127.952,911 2.757,913 300.656,914 182.397,915 159.416,918 272.559,919 45.608,920 115.108,921 18.011,922 191.183,923 270.735,924 212.318,925 159.416,927 0.585,928 0.345,929 0.173,930 0.095,931 23,932 13,933 0.169,934 11,936 1,937 4.387,938 353.598,940 18,941 184.75,945 27.854,946 12.006,947 6.734,949 212.318,950 15.118,955 1.856,957 50.908,958 642.469,959 51,964 50.317,966 1.163,967 4.178,968 -5.594,969 64.672,970 71.702,971 0.294,972 0.664,973 0.839,974 0.904,975 0.927,976 0.927,977 5.209,978 1.743,979 6.111,980 5.856,981 4.71,982 5.165,983 3.776,984 6.971,985 4.645,986 6.426,987 1.627,988 7.72,989 4.869,990 4.511,991 5.007,992 3.858,993 8.184,994 4.372,995 7.745,996 1.414,997 9.446,998 4.249,999 6.389,1000 7.244,1001 5.528,1002 11.27,1003 6.234,1004 9.098,1005 1.41,1006 11.246,1007 3.659,1008 7.004,1009 7.828,1010 6.457,1011 13.344,1012 6.754,1013 10.484,1014 1.126,1015 13.097,1016 3.058,1017 8.423,1018 9.598,1019 7.804,1020 16.055,1021 8.142,1022 11.893,1023 1,1024 14.984,1025 2.542,1026 9.389,1027 10.518,1028 8.993,1029 18.451,1030 9.006,1031 13.32,1032 0.896,1033 16.9,1034 2.136,1035 10.662,1036 12.093,1037 10.281,1038 21.066,1039 10.227,1040 3.517,1041 0.613,1042 18.838,1043 1.89,1044 11.779,1045 13.187,1046 11.538,1047 23.582,1048 11.245,1049 3.173,1050 13.509,1051 20.794,1052 1.21,1053 13.01,1054 14.663,1055 12.818,1056 26.175,1057 12.41,1058 2.694,1059 10.975,1060 22.765,1061 3.937,1062 14.192,1063 15.856,1064 14.092,1065 28.738,1066 13.499,1067 2.646,1068 8.35,1069 24.747,1070 3.813,1071 15.418,1072 17.278,1073 15.371,1074 31.328,1075 14.649,1076 2.39,1077 8.231,1078 26.738,1079 3.518,1080 16.63,1081 18.53,1082 16.65,1083 33.91,1084 15.772,1085 2.219,1086 6.735,1087 28.737,1088 3.451,1089 17.859,1090 19.921,1091 17.93,1092 36.503,1093 16.92,1094 2.093,1095 6.359,1096 30.742,1097 2.938,1098 19.086,1099 21.211,1100 19.21,1101 39.094,1102 18.061,1103 17964,1104 33212,1105 24.561,1106 41.307,1107 59.764,1108 61.507,1109 61.278,1110 58.111,1111 57.975,1112 73.272,1113 23.854,1114 169.379,1115 56.152,1116 5.601,1117 6.668,1118 7.47,1119 5.514,1120 5.517,1121 6.937,1122 5.401,1123 21.656,1124 5.253,1125 24.225,1126 1.532,1127 1.577,1128 1.571,1129 1.49,1130 1.487,1131 1.879,1132 0.612,1133 4.343,1134 1.44,1135 4.005,1136 4.039,1137 3.958,1138 3.912,1139 8.363,1140 3.914,1141 3.931,1142 3.962,1143 3.871,1144 3.863,1145 7.999,1146 3.858,1147 3.787,1148 3.82,1149 3.744,1150 3.617,1151 7.437,1152 3.645,1153 3.748,1154 3.77,1155 3.708,1156 3.55,1157 7.427,1158 3.587,1159 3.565,1160 3.608,1161 3.489,1162 3.323,1163 7.424,1164 3.35,1165 3.427,1166 3.48,1167 3.296,1168 3.209,1169 7.413,1170 3.221,1171 3.257,1172 3.318,1173 3.122,1174 3.07,1175 5.077,1176 3.074,1177 3.194,1178 3.268,1179 3.058,1180 3.047,1181 4.788,1182 3.036,1183 0.119,1184 0.12,1185 0.197,1186 0.114,1187 0.09,1188 4.63,1189 0.101,1190 4.668,1191 0.092,1192 7.668,1193 0.346,1194 4.444,1195 0.083,1196 3.517,1197 3.937,1198 3.599,1199 13.509,1200 3.253,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.021,1211 1.161,1212 2.031,1213 1.708,1214 1.671,1215 1.825,1216 1.9,1217 0.954,1218 1.885,1219 1.635,1220 1.612,1221 1.806,1222 1.859,1223 0.937,1224 1.825,1225 1.489,1226 1.433,1227 1.735,1228 1.746,1229 0.874,1230 1.749,1231 1.347,1232 1.304,1233 1.537,1234 1.608,1235 0.63,1236 1.579,1237 1.217,1238 1.156,1239 1.529,1240 1.448,1241 0.568,1242 1.465,1243 1.195,1244 1.138,1245 1.353,1246 1.415,1247 0.415,1248 1.431,1249 4.369,1251 5.7,1253 7.226,1255 8.84,1257 10.501,1259 3.157,1261 29.222,1263 5.712,1265 -1.344,1266 2.249,1267 4.342,1270 -1.79,1271 0.993,1272 -4.495,1273 40.748,1274 110.536,1275 249.959,1276 315.775,1277 340.304,1278 349.059,1279 349.059,1280 144.075,1281 7.474,1282 133.38,1283 133.38,1284 18,1285 12.773,1286 4.248,1287 3.7,1288 76.405,1289 163,1290 165,1291 0.224,1292 252.417,1293 467.89,1294 607.658,1295 17271,1296 3.2,1297 27.165,1298 0.734,1299 0.547,1300 25.372,1301 20.241,1302 17.539,1303 0.45,1304 0.292,1305 11.183,1306 16.702,1307 10.929,1308 9.055,1309 16.778,1310 11.392,1311 16.149,1312 0.294,1313 0.15,1314 14.957,1315 8.267,1316 13.274,1317 0.19,1318 0.078,1319 11.762,1320 5.427,1321 9.883,1322 0.118,1323 0.043,1324 9.516,1325 3.653,1326 7.702,1327 0.076,1328 0.023,1329 7.447,1330 2.36,1331 0.348,1332 111.64,1333 0.202,1334 33.227,1335 0.629,1336 188,1337 771.835,1338 218.672,1339 679.276,1340 877.17,1341 626,1342 219,1343 602.469,1344 250.673,1345 592.776,1346 879.74,1347 555,1348 4.556}
{0 CHEMBL41862,1 1.78,2 11.759,3 4.391,4 19.281,5 112.945,6 8.264,7 0.387,8 4.068,9 4.167,10 3.854,11 3.62,12 5.143,13 3.58,14 4.622,15 4.768,16 4.16,17 4.003,18 5.937,19 3.947,20 4.891,21 5.075,22 4.31,23 4.178,24 5.953,25 4.073,26 5.007,27 5.22,28 4.286,29 4.103,30 6.248,31 4.013,32 4.873,33 5.081,34 4.012,35 3.978,36 6.007,37 3.9,38 4.752,39 4.944,40 3.977,41 3.985,42 5.977,43 3.886,44 4.798,45 5.022,46 3.893,47 3.999,48 5.796,49 3.879,50 4.686,51 4.869,52 3.951,53 3.951,54 5.767,55 3.835,56 0.142,57 0.762,58 13.078,59 5.402,60 24.694,61 6.164,62 0.583,63 1.186,64 21.529,65 9.02,66 75.696,67 10.86,68 0.472,69 1.463,70 36.654,71 12.333,72 53.79,73 14.504,74 1.023,75 1.481,76 46.648,77 13.122,78 117.583,79 15.548,80 0.792,81 1.296,82 35.774,83 10.936,84 102.445,85 12.826,86 0.722,87 1.239,88 30.572,89 10.386,90 87.965,91 12.644,92 0.576,93 1.232,94 34.165,95 11.231,96 77.867,97 14.038,98 0.491,99 1.169,100 26.458,101 9.959,102 54.787,103 12.221,105 38,106 44,107 0.297,108 0.632,109 0.796,110 0.883,111 0.896,112 0.896,113 3.408,114 1.07,115 -4.33,116 -4.27,117 -4.03,120 37.7,121 1,122 2,123 1,126 3,140 7,141 1,142 4,154 1,158 1,159 1,160 1,165 8,167 3,168 7,170 1,171 2,172 1,175 1,176 9,182 7,190 4,194 2,195 18,200 4,203 4,205 2,207 5,212 2,215 5,217 1,219 2,220 7,222 1,223 2,227 12,231 3,239 10,244 1,245 8,250 4,253 9,256 2,258 3,263 2,266 3,268 1,270 1347,271 18.833,272 18.833,273 18.833,274 18.833,275 18.833,276 16.836,277 22.425,278 11.036,279 19.43,280 15.311,281 15.311,282 15.311,283 15.311,284 15.311,285 12.255,286 26.834,287 5.255,288 16.372,289 3.948,290 1.936,291 0.951,292 0.429,293 0.354,294 0.354,295 4.084,298 1,301 1,302 1,303 715,304 3.937,307 314.834,313 1.869,314 42.721,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 63.833,326 341,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.17,337 3.243,338 5.976,339 3.771,340 2.83,341 3.816,342 1.216,343 8.472,344 2.68,345 3.931,346 3.196,347 5.786,348 3.718,349 2.766,350 3.384,351 0.86,352 8.203,353 2.625,354 3.832,355 2.978,356 5.544,357 3.308,358 2.383,359 3.062,360 0.473,361 7.103,362 2.18,363 3.44,364 2.614,365 5.246,366 3.243,367 2.291,368 2.613,370 6.547,371 2.156,372 3.261,373 2.417,374 4.946,375 2.915,376 1.97,377 2.498,379 5.749,380 1.864,381 3.244,382 2.251,383 4.726,384 2.841,385 1.882,386 2.359,388 5.202,389 1.779,390 2.864,391 1.915,392 4.1,393 2.354,394 1.414,395 2.022,397 3.209,398 1.316,399 2.658,400 1.699,401 3.784,402 2.332,403 1.371,404 1.712,406 3.074,407 1.27,408 2.532,409 1.554,410 3.603,411 2.142,412 1.154,413 1.485,415 2.842,416 1.129,417 2.115,418 1.214,419 3.437,420 1.939,421 1,422 1.068,424 2.324,425 0.937,426 1.714,427 1.036,428 3.194,429 1.51,430 0.615,431 0.66,433 1.484,434 0.544,435 1.205,436 0.78,437 3.162,438 0.833,439 -0.086,440 -0.104,442 -0.244,443 -0.071,444 1.096,445 0.291,446 2.653,447 0.617,448 -0.257,449 -0.331,451 -0.62,452 -0.184,453 1,454 -0.121,455 2.511,456 0.559,457 -0.363,458 -0.428,460 -0.964,461 -0.351,462 14.081,463 0.486,464 0.93,465 0.032,466 36,467 1.241,468 17.5,469 0.603,470 18.5,471 0.638,472 26.132,473 0.901,474 32.719,475 0.617,476 28.735,477 0.991,478 6.819,479 0.235,480 6.923,481 0.239,482 0.19,483 0.059,484 0.277,490 0.672,491 1.322,492 0.718,493 1.218,494 0.789,495 0.964,496 0.697,497 0.95,498 0.683,499 0.884,500 0.44,501 0.922,502 1.033,503 1.159,504 0.888,505 1.057,506 0.769,507 1.055,508 1.084,509 0.93,510 1.024,511 1.042,512 0.991,513 0.916,514 1.554,515 0.843,516 0.884,517 0.796,518 1.492,519 0.843,520 0.904,521 0.938,522 0.955,523 1.001,524 0.895,525 1.002,526 1.052,527 0.845,528 0.92,529 0.847,530 1.036,531 0.894,532 0.911,533 1.21,534 0.897,535 1.101,536 0.813,537 1.183,538 8,539 0.173,540 3.333,541 2.813,542 1.676,543 1.042,544 0.532,545 0.495,546 0.313,547 0.267,548 10681,549 33028,550 1.985,551 45.3,552 5,553 13,556 3,558 2,559 1,560 1.719,561 1.822,562 3.508,563 0.96,565 1,569 94.347,570 1.78,571 3.792,572 4.777,573 5.299,574 5.374,575 5.374,576 2.928,577 4.375,578 4.832,579 3.713,580 1507.32,581 8.409,582 20904.6,584 1,586 1,587 303.58,588 1.658,589 4.76,590 0.258,591 0.008,592 0.076,593 0.064,594 0.04,595 0.029,596 0.015,597 0.015,598 0.01,599 0.01,600 0.524,601 0.17,602 1,603 0.805,604 148.655,605 0.036,606 -0.069,607 0.15,608 -0.082,609 -0.169,610 0.029,611 0.263,612 0.147,613 0.093,614 0.072,615 0.343,616 0.029,617 -0.099,618 -0.116,619 0.06,620 -0.038,621 -0.035,622 -0.075,623 0.107,624 0.027,625 0.07,626 -0.032,627 0.12,628 0.05,629 -0.262,630 0.089,631 -0.016,632 0.129,633 -0.218,634 0.092,635 0.092,636 0.083,637 -0.073,638 -0.007,639 0.072,640 -0.032,641 -0.125,642 0.075,643 -0.011,644 0.108,645 -0.117,646 0.11,647 -0.007,648 -0.218,649 -0.049,650 -0.136,651 -0.055,652 -0.196,653 4.978,654 5.565,655 0.621,656 27.567,657 1.014,658 1.128,659 3.103,660 9.631,661 0.674,662 3.466,663 3.807,664 3.989,665 4.22,666 4.344,667 4.344,668 4.369,669 4.443,670 4.489,671 4.564,672 7.093,673 0.636,674 437.99,675 3.466,676 5.017,677 5.844,678 6.725,679 7.566,680 8.45,681 9.296,682 10.181,683 11.029,684 11.916,685 5.7,686 1,688 1,694 1,699 7,704 5,706 12,718 1,719 1,720 53,723 15,724 2,725 31,727 55,728 20,729 12,730 5,731 7,735 3,736 3,737 1,739 1,741 1,745 2,746 1,748 2,749 13,750 7,751 1,754 3,757 1,758 1,759 2,763 1,765 1,768 24,769 7,770 3,771 9,772 2,775 3,780 1,781 4,789 3,807 1,809 1,813 3,815 1,817 1,818 1,821 29,822 1,826 1,828 5,830 2,833 1,834 1,839 1,840 7.5,843 2,845 2,847 15.917,848 9.426,849 6.264,850 3.036,851 2.239,852 1.31,853 0.968,854 7.061,855 9.472,856 3.714,857 4.304,858 4.705,859 5.211,860 5.602,861 5.72,862 5.881,863 6.152,864 6.271,865 6.563,866 0.875,867 44,868 11.062,870 5.004,871 7.978,872 20.27,874 16.724,877 2.478,878 71.861,881 1,882 247.193,883 117.405,884 67.693,885 39.149,886 63.858,888 7.75,889 109.655,890 350.2,891 67.693,892 8.825,893 46.77,894 74.084,895 44.313,896 73.065,897 1.899,898 247.193,899 39.149,900 247.193,901 177.348,902 63.858,903 46.898,905 211.88,906 99.172,909 90.392,910 86.957,911 46.898,913 247.193,914 131.552,915 156.553,917 7.75,918 247.193,919 34.496,920 78.283,922 167.576,923 247.193,924 131.552,925 156.553,927 0.59,928 0.329,929 0.172,930 0.087,931 20,932 10,933 0.127,934 7,936 1,937 3.977,938 244.676,940 18,941 138.881,944 1,945 21.906,946 9.348,947 5.857,949 131.552,950 11.124,955 1.505,957 64.569,958 535.298,959 40,962 -4.061,963 7.581,964 25.13,968 0.075,969 53.734,970 59.764,971 0.311,972 0.662,973 0.834,974 0.925,975 0.938,976 0.938,977 4.97,978 1.414,979 5.872,980 5.202,981 4.489,982 4.99,983 3.307,984 6.703,985 4.354,986 6.199,987 1.371,988 7.454,989 3.209,990 4.29,991 5.103,992 0.81,993 7.87,994 4.035,995 7.543,996 1.154,997 9.149,998 3.074,999 6.151,1000 7.245,1001 5.517,1002 10.897,1003 5.865,1004 8.925,1005 1,1006 10.914,1007 2.842,1008 6.723,1009 8.156,1010 1.214,1011 12.928,1012 6.288,1013 10.344,1014 0.615,1015 12.73,1016 2.324,1017 8.141,1018 9.891,1019 7.902,1020 15.594,1021 7.672,1022 11.791,1023 -0.086,1024 14.582,1025 1.484,1026 9.062,1027 11.154,1028 1.561,1029 17.964,1030 8.441,1031 13.262,1032 -0.257,1033 16.465,1034 -0.244,1035 10.327,1036 12.758,1037 10.303,1038 20.542,1039 9.648,1040 3.436,1041 -0.363,1042 18.371,1043 -0.62,1044 11.41,1045 14.179,1046 1.903,1047 23.034,1048 10.587,1049 2.83,1050 12.878,1051 20.297,1052 -0.964,1053 12.628,1054 15.741,1055 12.705,1056 25.593,1057 11.724,1058 2.766,1059 8.472,1060 22.238,1061 4.744,1062 13.785,1063 17.232,1064 2.253,1065 28.126,1066 12.747,1067 2.383,1068 8.203,1069 24.192,1070 3.816,1071 14.994,1072 18.783,1073 15.107,1074 30.681,1075 13.859,1076 2.291,1077 7.103,1078 26.156,1079 3.384,1080 16.186,1081 20.307,1082 2.612,1083 33.228,1084 14.925,1085 1.97,1086 6.547,1087 28.128,1088 3.062,1089 17.399,1090 21.857,1091 17.51,1092 35.783,1093 16.032,1094 1.882,1095 5.749,1096 30.107,1097 2.613,1098 18.608,1099 23.396,1100 2.98,1101 38.336,1102 17.121,1103 10489,1104 18727,1105 19.879,1106 35.716,1107 46.33,1108 49.271,1109 47.999,1110 46.387,1111 46.225,1112 58.845,1113 11.745,1114 134.171,1115 43.142,1116 5.888,1117 7.26,1118 7.083,1119 5.435,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 17.236,1126 1.495,1127 1.589,1128 1.548,1129 1.496,1130 1.491,1131 1.898,1132 0.379,1133 4.328,1134 1.392,1135 4.081,1136 4.051,1137 4.737,1138 4.058,1139 7.721,1140 3.983,1141 3.918,1142 3.953,1143 3.886,1144 3.836,1145 6.999,1146 3.831,1147 3.848,1148 3.889,1149 3.853,1150 3.717,1151 5.878,1152 3.714,1153 3.586,1154 3.542,1155 3.743,1156 3.51,1157 4.92,1158 3.425,1159 3.438,1160 3.521,1161 3.333,1162 3.177,1163 4.862,1164 3.204,1165 3.279,1166 3.352,1167 3.285,1168 3.066,1169 4.793,1170 3.068,1171 3.137,1172 3.214,1173 3.109,1174 2.99,1175 4.441,1176 2.967,1177 2.912,1178 3.005,1179 2.954,1180 2.799,1181 4.336,1182 2.771,1183 0.158,1184 0.17,1185 0.239,1186 0.14,1187 0.111,1188 4.888,1189 0.153,1190 5.26,1191 0.107,1192 7.4,1193 0.415,1194 4.345,1195 0.1,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.954,1202 1.97,1203 2.06,1204 2.053,1205 1.436,1206 2.063,1207 1.886,1208 1.865,1209 1.995,1210 2.013,1211 1.151,1212 2.035,1213 1.833,1214 1.779,1215 1.952,1216 1.945,1217 1.102,1218 1.962,1219 1.384,1220 1.442,1221 1.605,1222 1.65,1223 0.915,1224 1.629,1225 1.347,1226 1.274,1227 1.509,1228 1.549,1229 0.635,1230 1.588,1231 1.255,1232 1.17,1233 1.504,1234 1.51,1235 0.595,1236 1.533,1237 1.159,1238 1.089,1239 1.239,1240 1.359,1241 0.478,1242 1.407,1243 0.872,1244 0.824,1245 1.179,1246 1.19,1247 0.387,1248 1.218,1249 4.143,1251 5.476,1253 6.993,1255 8.594,1257 10.238,1259 1.833,1260 5.995,1263 5.579,1265 3.842,1267 11.186,1270 0.24,1271 1.832,1273 33.733,1274 94.347,1275 200.974,1276 253.173,1277 280.825,1278 284.825,1279 284.825,1280 72.82,1281 7.233,1282 105.71,1283 114.09,1284 18,1285 12.455,1286 4,1287 3.322,1288 52.548,1289 125,1290 111,1291 0.205,1292 215.777,1293 379.08,1294 518.256,1295 13877,1296 1.9,1297 21.018,1298 0.725,1299 0.609,1300 21.768,1301 17.671,1302 13.742,1303 0.443,1304 0.357,1305 9.288,1306 12.191,1307 8.907,1308 7.393,1309 14.852,1310 11.055,1311 13.219,1312 0.3,1313 0.205,1314 14.872,1315 9.022,1316 9.817,1317 0.185,1318 0.121,1319 11.328,1320 6.43,1321 8.345,1322 0.125,1323 0.07,1324 10.073,1325 4.709,1326 6.012,1327 0.079,1328 0.039,1329 7.05,1330 2.969,1331 0.326,1332 97.661,1333 0.224,1334 27.729,1335 0.552,1336 150,1337 483.296,1338 219.311,1339 511.314,1340 673.79,1341 468,1342 172,1343 439.129,1344 251.225,1345 490.682,1346 712.69,1347 457,1348 4.143}
{0 CHEMBL41876,1 1.78,2 12.414,3 4.385,4 19.232,5 113.043,6 8.264,7 0.387,8 4.068,9 4.167,10 3.854,11 3.62,12 5.143,13 3.58,14 4.622,15 4.768,16 4.16,17 4.003,18 5.937,19 3.947,20 4.891,21 5.075,22 4.308,23 4.181,24 5.952,25 4.076,26 5.004,27 5.212,28 4.275,29 4.104,30 6.246,31 4.009,32 4.896,33 5.122,34 3.965,35 3.959,36 6.002,37 3.871,38 4.665,39 4.846,40 3.951,41 3.966,42 5.843,43 3.865,44 4.771,45 4.979,46 3.896,47 3.992,48 5.853,49 3.871,50 4.737,51 4.948,52 3.901,53 3.926,54 5.735,55 3.801,56 0.142,57 0.762,58 13.078,59 5.402,60 24.694,61 6.164,62 0.583,63 1.186,64 21.529,65 9.02,66 75.715,67 10.86,68 0.48,69 1.461,70 36.702,71 12.342,72 53.958,73 14.501,74 0.947,75 1.476,76 46.029,77 13.345,78 116.149,79 15.746,80 0.935,81 1.29,82 38.231,83 11.001,84 110.877,85 13.036,86 0.524,87 1.156,88 27.618,89 10.247,90 64.438,91 12.364,92 0.577,93 1.221,94 31.832,95 10.846,96 86.205,97 13.536,98 0.579,99 1.162,100 30.127,101 10.4,102 63.436,103 12.772,105 38,106 44,107 0.297,108 0.632,109 0.784,110 0.845,111 0.858,112 0.858,113 3.408,114 1.07,115 -4.33,116 -4.27,117 -4.03,120 37.7,121 1,122 2,123 1,126 3,140 7,141 1,142 4,154 1,158 1,159 1,160 1,165 8,167 3,168 7,170 1,171 2,172 1,175 1,176 9,182 8,190 4,194 1,195 17,200 4,203 4,205 2,206 1,207 5,212 2,215 7,217 1,219 2,220 5,227 11,231 5,233 1,234 2,239 11,245 6,253 7,257 1,258 7,263 4,266 3,268 2,270 1380,271 18.833,272 18.833,273 18.833,274 18.833,275 18.833,276 16.836,277 22.425,278 10.995,279 19.438,280 15.294,281 15.294,282 15.294,283 15.294,284 15.294,285 12.238,286 25.129,287 5.228,288 16.359,289 3.948,290 1.936,291 1.027,292 0.656,293 0.58,294 0.58,295 4.084,298 1,301 1,302 1,303 755,304 3.937,307 319.348,313 1.986,314 42.381,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 63.833,326 360,327 4.888,328 5.26,329 7.4,330 4.345,331 3.436,332 4.744,333 3.324,334 12.878,335 3.092,336 4.17,337 3.243,338 5.93,339 3.756,340 2.805,341 3.816,342 1.216,343 8.248,344 2.676,345 3.91,346 3.179,347 5.786,348 3.701,349 2.76,350 3.384,351 0.86,352 8.191,353 2.601,354 3.832,355 2.982,356 5.546,357 3.337,358 2.399,359 3.047,360 0.473,361 7.115,362 2.249,363 3.472,364 2.625,365 5.301,366 3.288,367 2.343,368 2.62,370 6.781,371 2.163,372 3.272,373 2.427,374 4.949,375 2.92,376 1.976,377 2.498,379 5.762,380 1.866,381 3.245,382 2.257,383 4.726,384 2.841,385 1.882,386 2.389,388 5.203,389 1.779,390 2.864,391 1.916,392 4.1,393 2.354,394 1.414,395 2.022,397 3.208,398 1.27,399 2.658,400 1.734,401 3.796,402 2.204,403 1.285,404 1.712,406 2.996,407 1.178,408 2.546,409 1.554,410 3.603,411 2.142,412 1.154,413 1.475,415 2.842,416 1.129,417 2,418 1.091,419 3.414,420 1.984,421 1,422 1,424 2.275,425 0.983,426 1.759,427 1.077,428 3.197,429 1.533,430 0.639,431 0.693,433 1.535,434 0.565,435 1.206,436 0.781,437 3.162,438 0.833,439 -0.086,440 -0.104,442 -0.244,443 -0.071,444 1.096,445 0.291,446 2.653,447 0.665,448 -0.256,449 -0.323,451 -0.618,452 -0.183,453 1,454 -0.087,455 2.5,456 0.567,457 -0.298,458 -0.339,460 -0.76,461 -0.284,462 14.081,463 0.486,464 0.93,465 0.032,466 36,467 1.241,468 17.5,469 0.603,470 18.5,471 0.638,472 26.032,473 0.898,474 32.719,475 0.617,476 28.482,477 0.982,478 6.829,479 0.235,480 6.913,481 0.238,482 0.19,483 0.059,484 0.277,490 0.672,491 1.322,492 0.718,493 1.218,494 0.789,495 0.964,496 0.697,497 0.95,498 0.683,499 0.884,500 0.44,501 0.922,502 1.039,503 1.12,504 0.891,505 1.04,506 0.77,507 1.044,508 1.079,509 1.035,510 1.037,511 1.124,512 0.989,513 0.991,514 1.58,515 0.625,516 0.879,517 0.653,518 1.491,519 0.738,520 0.78,521 1.058,522 0.924,523 1.096,524 0.791,525 1.034,526 0.977,527 0.931,528 0.988,529 0.979,530 1.115,531 1.048,532 1.058,533 0.988,534 0.861,535 0.935,536 0.791,537 1.021,538 8,539 0.203,540 3.556,541 2.688,542 1.596,543 1.097,544 0.531,545 0.495,546 0.324,547 0.232,548 10945,549 34176,550 1.985,551 45.3,552 3,553 13,556 3,558 5,560 1.717,561 1.822,562 3.564,563 0.96,565 1,569 94.347,570 1.78,571 3.792,572 4.701,573 5.072,574 5.148,575 5.148,576 3.086,577 4.306,578 4.829,579 3.776,580 1532.89,581 8.398,582 21380.2,584 1,586 1,587 303.58,588 1.658,589 4.76,590 0.258,591 0.009,592 0.081,593 0.061,594 0.039,595 0.032,596 0.015,597 0.015,598 0.011,599 0.009,600 0.53,601 0.17,602 1,603 0.805,604 149.296,605 0.036,606 -0.069,607 0.15,608 -0.082,609 -0.169,610 0.029,611 0.263,612 0.147,613 0.093,614 0.072,615 0.343,616 0.029,617 -0.105,618 -0.076,619 0.057,620 -0.021,621 -0.035,622 -0.064,623 0.092,624 -0.086,625 0.051,626 -0.105,627 0.121,628 -0.016,629 -0.257,630 0.289,631 0.008,632 0.258,633 -0.227,634 0.193,635 0.104,636 -0.046,637 -0.04,638 -0.054,639 0.099,640 -0.026,641 -0.057,642 0.026,643 -0.09,644 -0.024,645 -0.119,646 -0.055,647 -0.073,648 -0.055,649 0.014,650 0.015,651 -0.062,652 -0.033,653 4.969,654 5.556,655 0.621,656 29.032,657 1.014,658 1.128,659 3.103,660 9.631,661 0.674,662 3.466,663 3.807,664 3.989,665 4.205,666 4.331,667 4.369,668 4.357,669 4.431,670 4.489,671 4.554,672 7.314,673 0.636,674 437.99,675 3.466,676 5.017,677 5.844,678 6.723,679 7.563,680 8.445,681 9.29,682 10.174,683 11.021,684 11.907,685 5.7,686 1,688 1,694 1,699 7,704 5,706 12,718 1,719 1,720 53,723 15,724 2,725 31,727 55,728 20,729 12,730 5,731 7,735 3,736 3,737 1,739 1,741 1,745 2,746 1,748 2,749 13,750 7,751 1,754 3,757 1,758 1,759 2,763 1,765 1,768 24,769 7,770 3,771 9,772 2,775 3,780 1,781 4,789 3,807 1,809 1,813 3,815 1,817 1,818 1,821 29,822 1,826 1,828 5,830 2,833 1,834 1,839 1,840 7.5,843 2,845 2,847 15.917,848 9.426,849 6.264,850 3.036,851 2.239,852 1.31,853 0.968,854 7.061,855 9.472,856 3.714,857 4.304,858 4.705,859 5.205,860 5.595,861 5.73,862 5.875,863 6.14,864 6.264,865 6.548,866 1,867 44,868 11.055,870 4.994,871 7.978,872 20.27,874 16.724,877 2.478,878 71.861,881 1,882 247.193,883 117.405,884 67.693,885 39.149,886 63.858,888 7.75,889 109.655,890 350.2,891 67.693,892 8.825,893 46.77,894 74.084,895 44.313,896 73.065,897 1.899,898 247.193,899 39.149,900 247.193,901 177.348,902 63.858,903 46.898,905 188.338,906 122.714,909 90.392,910 86.957,911 46.898,913 247.193,914 131.552,915 156.553,917 7.75,918 247.193,919 34.496,920 78.283,922 167.576,923 247.193,924 131.552,925 156.553,927 0.591,928 0.329,929 0.169,930 0.084,931 20,932 10,933 0.127,934 7,936 1,937 4.005,938 243.068,940 18,941 134.881,944 1,945 21.906,946 9.348,947 5.857,949 131.552,950 11.168,955 1.56,957 64.569,958 535.298,959 40,962 -4.052,963 7.487,964 25.113,968 0.101,969 53.734,970 59.764,971 0.311,972 0.662,973 0.821,974 0.886,975 0.899,976 0.899,977 4.97,978 1.414,979 5.872,980 5.203,981 4.489,982 4.99,983 3.307,984 6.701,985 4.354,986 6.199,987 1.285,988 7.454,989 3.208,990 4.29,991 5.103,992 0.81,993 7.87,994 4.035,995 7.543,996 1.154,997 9.148,998 2.996,999 6.151,1000 7.245,1001 5.517,1002 10.889,1003 5.866,1004 8.925,1005 1,1006 10.913,1007 2.842,1008 6.723,1009 8.156,1010 1.214,1011 12.923,1012 6.29,1013 10.344,1014 0.639,1015 12.728,1016 2.275,1017 8.139,1018 9.89,1019 7.902,1020 15.586,1021 7.672,1022 11.791,1023 -0.086,1024 14.58,1025 1.535,1026 9.059,1027 11.153,1028 1.561,1029 17.958,1030 8.439,1031 13.261,1032 -0.256,1033 16.462,1034 -0.244,1035 10.323,1036 12.758,1037 10.303,1038 20.537,1039 9.645,1040 3.436,1041 -0.298,1042 18.368,1043 -0.618,1044 11.404,1045 14.178,1046 1.903,1047 23.03,1048 10.582,1049 2.805,1050 12.878,1051 20.293,1052 -0.76,1053 12.622,1054 15.741,1055 12.705,1056 25.59,1057 11.718,1058 2.76,1059 8.248,1060 22.234,1061 4.744,1062 13.778,1063 17.232,1064 2.253,1065 28.123,1066 12.739,1067 2.399,1068 8.191,1069 24.189,1070 3.816,1071 14.987,1072 18.783,1073 15.107,1074 30.679,1075 13.851,1076 2.343,1077 7.115,1078 26.153,1079 3.384,1080 16.179,1081 20.307,1082 2.612,1083 33.227,1084 14.917,1085 1.976,1086 6.781,1087 28.125,1088 3.047,1089 17.392,1090 21.857,1091 17.51,1092 35.783,1093 16.023,1094 1.882,1095 5.762,1096 30.104,1097 2.62,1098 18.602,1099 23.396,1100 2.98,1101 38.335,1102 17.112,1103 10741,1104 19253,1105 19.879,1106 35.716,1107 46.263,1108 49.208,1109 48.014,1110 46.358,1111 46.186,1112 58.802,1113 11.745,1114 134.07,1115 43.1,1116 5.888,1117 7.26,1118 7.083,1119 5.434,1120 5.436,1121 7.744,1122 6.648,1123 20.616,1124 5.092,1125 17.378,1126 1.492,1127 1.587,1128 1.549,1129 1.495,1130 1.49,1131 1.897,1132 0.379,1133 4.325,1134 1.39,1135 4.081,1136 4.051,1137 4.737,1138 4.058,1139 7.721,1140 3.983,1141 3.918,1142 3.952,1143 3.886,1144 3.836,1145 6.999,1146 3.832,1147 3.848,1148 3.889,1149 3.852,1150 3.719,1151 5.878,1152 3.715,1153 3.586,1154 3.55,1155 3.742,1156 3.51,1157 4.92,1158 3.425,1159 3.457,1160 3.53,1161 3.356,1162 3.193,1163 4.862,1164 3.225,1165 3.204,1166 3.276,1167 3.285,1168 3.015,1169 4.793,1170 3.006,1171 3.111,1172 3.206,1173 3.046,1174 2.941,1175 4.441,1176 2.91,1177 3.07,1178 3.152,1179 2.911,1180 2.831,1181 4.336,1182 2.843,1183 0.158,1184 0.17,1185 0.239,1186 0.14,1187 0.111,1188 4.888,1189 0.153,1190 5.26,1191 0.107,1192 7.4,1193 0.415,1194 4.345,1195 0.1,1196 3.436,1197 4.744,1198 3.324,1199 12.878,1200 3.092,1201 1.954,1202 1.97,1203 2.061,1204 2.053,1205 1.44,1206 2.064,1207 1.887,1208 1.865,1209 1.994,1210 2.013,1211 1.151,1212 2.036,1213 1.834,1214 1.78,1215 1.952,1216 1.946,1217 1.101,1218 1.962,1219 1.385,1220 1.442,1221 1.578,1222 1.664,1223 0.825,1224 1.644,1225 1.36,1226 1.284,1227 1.513,1228 1.548,1229 0.783,1230 1.588,1231 1.183,1232 1.114,1233 1.504,1234 1.437,1235 0.593,1236 1.453,1237 1.153,1238 1.064,1239 1.353,1240 1.376,1241 0.475,1242 1.429,1243 1.03,1244 0.948,1245 1.149,1246 1.307,1247 0.296,1248 1.34,1249 4.143,1251 5.476,1253 6.993,1255 8.592,1257 10.234,1259 1.84,1260 5.995,1263 5.519,1265 3.75,1267 11.188,1270 0.349,1271 1.842,1273 33.733,1274 94.347,1275 200.974,1276 249.173,1277 268.825,1278 272.825,1279 272.825,1280 72.29,1281 7.233,1282 105.71,1283 114.09,1284 18,1285 12.447,1286 4,1287 3.322,1288 52.65,1289 128,1290 128,1291 0.2,1292 215.777,1293 379.08,1294 518.256,1295 13877,1296 1.9,1297 21.018,1298 0.725,1299 0.609,1300 21.768,1301 17.671,1302 13.742,1303 0.443,1304 0.357,1305 9.288,1306 12.188,1307 8.91,1308 7.384,1309 14.852,1310 11.055,1311 13.207,1312 0.3,1313 0.205,1314 14.86,1315 8.998,1316 9.885,1317 0.187,1318 0.123,1319 11.396,1320 6.525,1321 8.288,1322 0.126,1323 0.07,1324 10.016,1325 4.63,1326 5.841,1327 0.078,1328 0.039,1329 6.879,1330 2.942,1331 0.32,1332 97.661,1333 0.224,1334 27.879,1335 0.532,1336 150,1337 483.296,1338 219.311,1339 511.184,1340 673.73,1341 468,1342 172,1343 439.129,1344 251.058,1345 490.326,1346 712.05,1347 457,1348 4.824}
{0 CHEMBL419567,1 1.573,2 20.175,3 4.355,4 18.965,5 226.056,6 6.674,7 0.09,8 4.942,9 5.07,10 4.381,11 4.416,12 5.989,13 3.604,14 5.552,15 5.739,16 4.794,17 4.862,18 6.602,19 3.979,20 5.926,21 6.145,22 4.914,23 5.079,24 6.946,25 4.108,26 6.079,27 6.324,28 4.959,29 5.118,30 7.126,31 4.095,32 6.063,33 6.292,34 5.004,35 5.105,36 7.322,37 4.083,38 6.079,39 6.309,40 5.012,41 5.19,42 7.157,43 4.051,44 6.183,45 6.423,46 5.078,47 5.259,48 7.231,49 3.991,50 6.275,51 6.522,52 5.133,53 5.298,54 7.445,55 3.844,56 0.237,57 1.91,58 31.073,59 13.071,60 34.858,61 5.941,62 0.876,63 3.163,64 59.33,65 22.389,66 139.325,67 10.295,68 1.535,69 4.126,70 89.104,71 30.537,72 221.77,73 12.922,74 1.849,75 4.5,76 105.865,77 32.333,78 276.095,79 13.497,80 2.951,81 4.375,82 105.718,83 30.959,84 472.169,85 12.767,86 2.242,87 4.686,88 105.081,89 34.827,90 335.095,91 12.644,92 1.779,93 4.968,94 115.839,95 36.571,96 309.345,97 12.582,98 2.965,99 5.193,100 129.303,101 38.739,102 507.139,103 12.223,104 1,105 324,106 98,107 0.219,108 0.475,109 0.697,110 0.836,111 0.86,112 0.871,113 4.161,114 1.017,115 0.49,116 0.32,117 0.07,120 34.1,121 7,122 11,123 4,124 1,126 1,128 6,129 1,130 1,140 5,141 1,153 7,158 1,159 1,160 1,162 2,164 2,165 23,166 2,167 2,168 7,171 6,173 7,176 23,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 17,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 9,206 8,207 11,208 1,210 6,211 2,212 9,213 1,215 14,217 1,219 3,220 11,221 1,222 1,223 7,224 4,225 12,226 1,227 23,228 1,229 1,230 1,231 22,232 1,234 1,236 8,237 2,239 17,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 10,251 1,252 1,253 18,254 2,255 1,256 1,257 1,258 21,259 2,260 1,261 8,262 3,263 10,264 2,265 1,266 28,267 1,268 2,270 11957,271 40.425,272 40.425,273 40.425,274 40.425,275 40.425,276 38.634,277 42.089,278 23.318,279 40.885,280 32.954,281 32.954,282 32.954,283 32.954,284 32.954,285 29.991,286 44.468,287 11.007,288 33.695,289 5.471,290 3.63,291 2.031,292 1.036,293 0.858,294 0.782,295 4.842,303 2671,304 7.906,305 154.278,306 404.982,307 709.82,310 651.997,313 3.092,314 118.011,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 139.5,326 1271,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.164,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.444,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.841,368 3.196,369 1.956,370 9.149,371 2.796,372 3.897,373 3.612,374 6.098,375 3.732,376 2.757,377 3.146,378 1.928,379 8.792,380 2.698,381 3.881,382 3.585,383 6.063,384 3.581,385 2.623,386 3.017,387 1.905,388 8.591,389 2.568,390 3.764,391 3.527,392 5.799,393 3.542,394 2.561,395 2.909,396 0.632,397 7.733,398 2.523,399 3.619,400 3.315,401 5.639,402 3.51,403 2.519,404 2.69,405 0.382,406 6.965,407 2.37,408 3.527,409 2.761,410 5.34,411 3.186,412 2.179,413 2.626,414 0.265,415 6.574,416 2.166,417 3.452,418 2.714,419 5.302,420 3.072,421 2.068,422 2.604,423 0.159,424 6.094,425 2.055,426 3.247,427 2.621,428 4.69,429 3.051,430 2.056,431 2.274,432 0.107,433 5.159,434 2.02,435 3.004,436 2.442,437 4.66,438 2.93,439 1.962,440 2.116,441 0.014,442 5.09,443 1.892,444 2.977,445 2.316,446 4.652,447 2.812,448 1.8,449 2.005,451 4.606,452 1.812,453 2.946,454 2.23,455 4.633,456 2.671,457 1.676,458 1.971,460 4.435,461 1.664,462 29.233,463 0.464,464 2.213,465 0.035,466 56.5,467 0.897,468 16.5,469 0.262,470 40,471 0.635,472 107.042,473 1.699,474 75.167,475 0.569,476 63.182,477 1.003,478 9.616,479 0.153,480 20.015,481 0.318,482 0.236,483 0.034,484 0.361,490 0.846,491 1.457,492 0.917,493 1.307,494 0.653,495 0.915,496 0.552,497 1.312,498 0.852,499 1.208,500 0.446,501 0.981,502 0.966,503 1.151,504 1.059,505 1.166,506 0.879,507 1.068,508 1.243,509 1.151,510 1.027,511 1.084,512 1.054,513 0.956,514 1.174,515 1.045,516 1.064,517 0.988,518 1.102,519 0.959,520 1.023,521 1.117,522 1.042,523 1.124,524 0.983,525 0.92,526 1.033,527 1.122,528 1.021,529 1.085,530 0.952,531 1.017,532 1.012,533 0.961,534 1.003,535 0.941,536 1.021,537 0.966,538 17,539 0.959,540 9.333,541 6.16,542 4.775,543 2.632,544 2.219,545 1.786,546 1.464,547 1.126,548 86773,549 222597,550 1.941,551 52.3,552 27,553 13,554 1,556 8,557 4,558 14,559 2,560 1.907,561 1.75,562 4.227,563 4.051,569 207.675,570 1.573,571 3.414,572 5.013,573 6.008,574 6.186,575 6.262,576 3.683,577 5.692,578 5.948,579 4.473,580 8735.81,581 10.683,582 215629,587 929.86,588 1.727,589 5.858,590 0.254,591 0.008,592 0.097,593 0.06,594 0.045,595 0.024,596 0.02,597 0.015,598 0.012,599 0.009,600 0.545,601 0.17,602 0.38,603 2.122,604 405.872,605 -0.13,606 -0.067,607 0.017,608 -0.011,609 -0.055,610 0.03,611 0.19,612 -0.084,613 0.092,614 -0.038,615 0.14,616 -0.031,617 0.01,618 -0.004,619 -0.071,620 -0.069,621 -0.047,622 -0.109,623 -0.117,624 -0.036,625 -0.01,626 -0.018,627 -0.065,628 0.007,629 0.085,630 0.042,631 -0.022,632 0.041,633 0.117,634 -0.019,635 0.028,636 0.04,637 -0.042,638 -0.015,639 -0.007,640 0.036,641 -0.066,642 -0.074,643 -0.032,644 -0.068,645 -0.017,646 -0.047,647 0.062,648 0.024,649 0.008,650 0.025,651 0.081,652 0.015,653 3.009,654 7.411,655 0.333,656 111.358,657 1.003,658 1.137,659 -1.721,660 2.963,661 0.619,662 4.22,663 4.595,664 4.852,665 5.088,666 5.283,667 5.394,668 5.517,669 5.652,670 5.717,671 5.808,672 11.902,673 0.651,674 881.01,675 4.22,676 5.802,677 6.661,678 7.566,679 8.454,680 9.369,681 10.275,682 11.199,683 12.117,684 13.051,685 4.5,686 1,692 5,699 5,704 1,706 6,720 132,721 1,723 13,724 1,725 67,727 136,728 45,729 6,730 1,731 5,735 5,736 8,741 7,742 1,744 1,745 6,746 3,748 17,749 13,750 32,751 5,754 7,759 7,763 7,768 69,769 17,770 8,771 18,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 7,821 63,822 1,827 2,828 12,829 4,830 2,832 1,833 11,834 1,835 2,840 8.3,842 2,843 7,844 2,847 36,848 24.6,849 13.653,850 8.497,851 0.532,852 1.058,853 0.959,854 17.468,855 9.651,856 4.357,857 4.8,858 5.098,859 5.396,860 5.68,861 5.626,862 5.748,863 5.908,864 5.957,865 6.098,866 1,867 102,868 24.097,870 10.93,871 8.005,872 44.929,874 38.569,877 2.505,878 157.833,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.596,928 0.34,929 0.173,930 0.092,931 42,932 25,933 0.162,934 22,935 3,936 1.238,937 6.221,938 737.38,939 0.286,940 20,941 366.569,945 50.62,946 21.741,947 12.299,949 150.083,950 10.248,955 1.24,957 60.694,958 547.756,959 77,964 91.332,968 -5.91,969 132.374,970 150.109,971 0.223,972 0.485,973 0.712,974 0.853,975 0.878,976 0.889,977 5.678,978 2.561,979 6.711,980 8.591,981 5.283,982 5.489,983 3.946,984 7.611,985 5.238,986 6.863,987 2.519,988 8.343,989 7.733,990 5.165,991 5.414,992 3.633,993 8.911,994 5.097,995 8.18,996 2.179,997 10.092,998 6.965,999 7.011,1000 7.38,1001 5.157,1002 12.046,1003 6.912,1004 9.525,1005 2.068,1006 11.915,1007 6.574,1008 7.701,1009 8.047,1010 5.443,1011 14.241,1012 7.579,1013 10.907,1014 2.056,1015 13.79,1016 6.094,1017 9.115,1018 9.58,1019 6.551,1020 17.036,1021 8.965,1022 12.313,1023 1.962,1024 15.705,1025 5.159,1026 10.149,1027 10.547,1028 7.097,1029 19.574,1030 9.978,1031 13.74,1032 1.8,1033 17.651,1034 5.09,1035 11.446,1036 11.941,1037 8.039,1038 22.307,1039 11.252,1040 3.847,1041 1.676,1042 19.622,1043 4.606,1044 12.63,1045 13.045,1046 8.718,1047 24.973,1048 12.418,1049 3.203,1050 15.757,1051 21.613,1052 4.435,1053 13.91,1054 14.39,1055 9.589,1056 27.705,1057 13.678,1058 3.173,1059 12.336,1060 23.622,1061 3.847,1062 15.165,1063 15.567,1064 10.339,1065 30.421,1066 14.916,1067 2.989,1068 11.03,1069 25.644,1070 3.454,1071 16.456,1072 16.895,1073 11.182,1074 33.16,1075 16.19,1076 2.841,1077 9.697,1078 27.679,1079 3.444,1080 17.747,1081 18.117,1082 11.971,1083 35.897,1084 17.464,1085 2.757,1086 9.149,1087 29.724,1088 3.282,1089 19.054,1090 19.439,1091 12.805,1092 38.644,1093 18.755,1094 2.623,1095 8.792,1096 31.776,1097 3.196,1098 20.365,1099 20.693,1100 13.616,1101 41.39,1102 20.05,1103 84241,1104 135380,1105 41.786,1106 81.739,1107 103.768,1108 108.019,1109 107.613,1110 102.357,1111 102.222,1112 113.763,1113 32.089,1114 308.447,1115 100.105,1116 5.847,1117 5.976,1118 7.957,1119 5.959,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 48.526,1126 1.549,1127 1.612,1128 1.606,1129 1.528,1130 1.526,1131 1.698,1132 0.479,1133 4.604,1134 1.494,1135 4.102,1136 4.135,1137 4.018,1138 4.018,1139 7.478,1140 3.921,1141 3.969,1142 4.014,1143 3.888,1144 3.874,1145 7.472,1146 3.837,1147 3.91,1148 3.948,1149 3.831,1150 3.78,1151 7.439,1152 3.649,1153 3.861,1154 3.908,1155 3.782,1156 3.687,1157 7.429,1158 3.473,1159 3.775,1160 3.823,1161 3.686,1162 3.633,1163 7.426,1164 3.293,1165 3.71,1166 3.761,1167 3.605,1168 3.592,1169 7.423,1170 3.068,1171 3.677,1172 3.731,1173 3.566,1174 3.538,1175 7.421,1176 2.932,1177 3.651,1178 3.698,1179 3.514,1180 3.484,1181 6.352,1182 2.771,1183 0.072,1184 0.059,1185 0.122,1186 0.072,1187 0.057,1188 4.847,1189 0.057,1190 3.976,1191 0.035,1192 8.155,1193 0.235,1194 4.827,1195 0.056,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.929,1208 1.897,1209 2.078,1210 2.02,1211 1.371,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.015,1217 1.277,1218 1.892,1219 1.758,1220 1.712,1221 1.96,1222 1.962,1223 1.24,1224 1.772,1225 1.726,1226 1.68,1227 1.929,1228 1.901,1229 1.219,1230 1.588,1231 1.695,1232 1.642,1233 1.913,1234 1.872,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.856,1240 1.826,1241 1.134,1242 1.389,1243 1.605,1244 1.55,1245 1.814,1246 1.773,1247 1.05,1248 1.224,1249 4.905,1251 6.282,1252 3.045,1253 7.845,1254 5.416,1255 9.508,1256 7.564,1257 11.237,1259 13.62,1263 5.671,1264 18.316,1265 4.921,1266 10.968,1267 13.523,1269 -0.647,1270 -6.641,1271 1.516,1272 -0.322,1273 33.733,1274 207.675,1275 450.642,1276 661.773,1277 793.066,1278 816.576,1279 826.576,1280 324.495,1281 9.118,1282 255.79,1283 255.79,1284 26,1285 13.554,1286 3.807,1287 3.459,1288 130.66,1289 451,1290 458,1291 0.135,1292 470.372,1293 886.53,1294 1139.47,1295 144060,1297 46.388,1298 0.736,1299 0.601,1300 46.388,1301 37.893,1302 29.631,1303 0.442,1304 0.339,1305 22.458,1306 28.471,1307 21.738,1308 17.999,1309 29.631,1310 22.718,1311 28.617,1312 0.292,1313 0.199,1314 28.617,1315 19.532,1316 22.407,1317 0.176,1318 0.11,1319 22.407,1320 14.025,1321 17.919,1322 0.111,1323 0.062,1324 17.919,1325 9.97,1326 13.708,1327 0.07,1328 0.035,1329 13.708,1330 6.789,1331 0.217,1332 186.443,1333 0.155,1334 51.424,1335 0.36,1336 330,1337 974.575,1338 369.816,1339 910.667,1340 1185.65,1341 840,1342 390,1343 817.218,1344 427.608,1345 816.081,1346 1199.48,1347 767,1348 5.721}
{0 CHEMBL419918,1 1.616,2 18.6,3 1.954,4 3.819,5 192.158,6 6.697,8 4.816,9 4.946,10 4.252,11 4.259,12 5.878,13 3.604,14 5.433,15 5.623,16 4.684,17 4.71,18 6.506,19 3.979,20 5.806,21 6.02,22 4.821,23 4.939,24 6.863,25 4.108,26 5.971,27 6.21,28 4.877,29 4.987,30 7.063,31 4.095,32 5.953,33 6.175,34 4.908,35 4.965,36 7.267,37 4.083,38 5.957,39 6.186,40 4.891,41 5.052,42 7.073,43 4.051,44 6.064,45 6.31,46 4.926,47 5.104,48 7.134,49 3.991,50 6.144,51 6.402,52 4.931,53 5.093,54 7.347,55 3.844,56 0.283,57 1.677,58 27.512,59 11.226,60 37.637,61 5.941,62 0.944,63 2.756,64 53.07,65 19.162,66 143.551,67 10.295,68 1.629,69 3.572,70 79.595,71 26.087,72 226.861,73 12.922,74 2.026,75 3.875,76 95.728,77 27.497,78 285.514,79 13.497,80 3.037,81 3.704,82 95.5,83 25.976,84 473.787,85 12.767,86 2.238,87 3.994,88 93.345,89 29.733,90 338.864,91 12.644,92 1.834,93 4.167,94 103.186,95 30.885,96 306.667,97 12.582,98 3.032,99 4.127,100 114.613,101 31.358,102 505.793,103 12.223,104 1,105 368,106 87,107 0.232,108 0.455,109 0.688,110 0.829,111 0.854,112 0.867,113 4.028,114 1.017,115 1.62,116 1.39,117 1.03,120 31.9,121 8,122 8,123 4,124 1,126 1,128 6,129 1,130 1,153 7,158 1,159 1,160 1,162 2,164 2,165 14,166 2,167 2,168 7,171 6,173 7,176 12,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 8,193 1,195 21,196 1,197 1,198 1,199 1,200 4,201 2,202 1,203 3,206 8,207 9,208 1,210 6,211 2,212 8,213 1,215 9,217 1,219 3,220 8,221 1,222 1,223 7,224 4,225 11,226 1,227 20,228 1,229 1,230 1,231 18,232 1,234 1,236 6,237 2,239 12,240 3,243 1,244 7,245 14,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 10,254 2,255 1,256 1,257 1,258 13,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 18,267 1,268 2,270 8177,271 34.743,272 34.743,273 34.743,274 34.743,275 34.743,276 33.703,277 38.451,278 19.566,279 35.203,280 28.398,281 28.398,282 28.398,283 28.398,284 28.398,285 26.479,286 42.998,287 9.081,288 29.152,289 5.242,290 3.685,291 2.061,292 1.076,293 0.897,294 0.811,295 4.699,303 2134,304 7.681,305 132.356,306 349.964,307 378.65,310 561.1,313 3.04,314 113.111,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 123.5,326 1023,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.164,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.19,346 3.844,347 6.781,348 4.139,349 3.173,350 3.282,351 2.022,352 11.029,353 3.042,354 4.122,355 3.757,356 6.399,357 3.972,358 2.989,359 3.195,360 1.993,361 9.696,362 2.931,363 3.994,364 3.668,365 6.221,366 3.827,367 2.841,368 3.146,369 1.956,370 9.124,371 2.796,372 3.881,373 3.612,374 6.094,375 3.73,376 2.754,377 3.016,378 1.928,379 8.773,380 2.697,381 3.764,382 3.585,383 6.062,384 3.578,385 2.615,386 2.908,387 1.905,388 8.582,389 2.567,390 3.61,391 3.527,392 5.799,393 3.522,394 2.56,395 2.69,396 0.632,397 7.733,398 2.355,399 3.527,400 3.314,401 5.638,402 3.186,403 2.179,404 2.617,405 0.382,406 6.569,407 2.166,408 3.452,409 2.749,410 5.302,411 3.072,412 2.068,413 2.602,414 0.265,415 6.093,416 2.055,417 3.246,418 2.619,419 4.69,420 3.05,421 2.056,422 2.273,423 0.159,424 5.159,425 2.019,426 3.004,427 2.442,428 4.66,429 2.924,430 1.957,431 2.005,432 0.107,433 5.09,434 1.885,435 2.968,436 2.316,437 4.652,438 2.812,439 1.8,440 1.968,441 0.014,442 4.602,443 1.812,444 2.769,445 2.227,446 4.633,447 2.585,448 1.576,449 1.734,451 4.355,452 1.581,453 2.639,454 2.154,455 4.542,456 2.417,457 1.435,458 1.591,460 3.923,461 1.395,462 25.233,463 0.459,464 2.145,465 0.039,466 46,467 0.836,468 10.5,469 0.191,470 35.5,471 0.645,472 92.841,473 1.688,474 67.167,475 0.579,476 51.55,477 0.937,478 7.634,479 0.139,480 17.979,481 0.327,482 0.293,483 0.04,484 0.399,490 0.858,491 1.546,492 0.915,493 1.374,494 0.66,495 0.915,496 0.551,497 1.337,498 0.806,499 1.211,500 0.442,501 0.981,502 0.977,503 1.174,504 1.053,505 1.185,506 0.883,507 1.068,508 1.246,509 1.183,510 1.028,511 1.112,512 1.05,513 0.956,514 1.173,515 1.005,516 1.083,517 0.943,518 1.103,519 0.959,520 0.943,521 1.11,522 1.042,523 1.128,524 0.972,525 0.92,526 0.924,527 1.131,528 1.009,529 1.112,530 0.892,531 1.017,532 0.933,533 0.892,534 0.982,535 0.883,536 0.983,537 0.966,538 16.5,539 0.725,540 9.111,541 6.097,542 4.704,543 2.598,544 2.062,545 1.639,546 1.236,547 0.873,548 59358,549 158255,550 1.894,551 52.6,552 24,553 8,554 1,556 8,557 4,558 14,559 2,560 1.875,561 1.684,562 4.135,563 4.252,569 187.438,570 1.616,571 3.173,572 4.797,573 5.782,574 5.961,575 6.047,576 3.614,577 5.44,578 5.754,579 4.375,580 6496.28,581 10.275,582 144578,587 795.526,588 1.743,589 5.642,590 0.284,591 0.009,592 0.107,593 0.066,594 0.049,595 0.027,596 0.021,597 0.016,598 0.013,599 0.009,600 0.602,601 0.17,602 0.5,603 2.346,604 342.024,605 -0.141,606 -0.1,607 0.012,608 -0.029,609 -0.061,610 0.03,611 0.191,612 -0.082,613 0.132,614 -0.017,615 0.145,616 -0.031,617 -0.004,618 0.006,619 -0.068,620 -0.061,621 -0.054,622 -0.109,623 -0.135,624 -0.044,625 -0.013,626 -0.025,627 -0.074,628 0.007,629 0.055,630 0.05,631 -0.04,632 0.056,633 0.105,634 -0.019,635 0.027,636 0.035,637 -0.058,638 -0.025,639 -0.011,640 0.036,641 -0.054,642 -0.101,643 -0.039,644 -0.108,645 -0.013,646 -0.047,647 0.068,648 0.011,649 0.017,650 0.02,651 0.083,652 0.015,653 3.008,654 7.134,655 0.273,656 86.54,657 1.007,658 1.142,659 -2.847,660 8.108,661 0.609,662 4.078,663 4.477,664 4.745,665 4.984,666 5.176,667 5.303,668 5.407,669 5.509,670 5.525,671 5.549,672 10.998,673 0.651,674 776.85,675 4.078,676 5.673,677 6.541,678 7.459,679 8.357,680 9.282,681 10.197,682 11.129,683 12.055,684 12.995,685 5.2,686 1,692 5,720 116,721 1,723 7,725 58,727 119,728 37,735 4,736 7,741 8,742 1,744 1,745 6,746 3,748 14,749 7,750 30,751 5,754 7,759 7,763 7,768 61,769 17,770 8,771 18,775 6,780 0.5,781 11,786 1,787 1,788 2,789 2,792 2,800 4,801 1,802 2,807 1,811 2,813 2,817 8,821 55,822 1,827 2,828 9,829 4,830 2,832 1,833 11,834 1,835 2,840 9.5,842 2,843 7,844 2,847 32.667,848 22.183,849 11.903,850 7.511,851 0.171,852 1.019,853 0.959,854 15.034,855 9.044,856 4.19,857 4.625,858 4.89,859 5.147,860 5.38,861 5.429,862 5.545,863 5.687,864 5.659,865 5.714,866 1,867 92,868 21.081,870 9.641,871 8.112,872 38.877,874 33.418,877 2.612,878 143.667,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.602,928 0.349,929 0.176,930 0.093,931 38,932 24,933 0.151,934 18,935 3,936 1.333,937 5.59,938 611.681,939 0.4,940 14,941 311.975,945 45.109,946 18.331,947 10.109,949 150.083,957 60.694,958 547.756,959 65,964 90.017,968 -5.918,969 116.839,970 132.448,971 0.236,972 0.463,973 0.7,974 0.843,975 0.869,976 0.882,977 5.537,978 2.56,979 6.613,980 8.582,981 5.165,982 5.313,983 3.946,984 7.542,985 5.113,986 6.733,987 2.179,988 8.267,989 7.733,990 5.13,991 5.352,992 3.633,993 8.889,994 5.059,995 8.065,996 2.068,997 10.035,998 6.569,999 6.93,1000 7.185,1001 5.157,1002 12.022,1003 6.822,1004 9.424,1005 2.056,1006 11.873,1007 6.093,1008 7.674,1009 7.966,1010 5.443,1011 14.232,1012 7.548,1013 10.817,1014 1.957,1015 13.759,1016 5.159,1017 9.068,1018 9.378,1019 6.551,1020 17.029,1021 8.911,1022 12.233,1023 1.8,1024 15.682,1025 5.09,1026 10.13,1027 10.449,1028 7.097,1029 19.571,1030 9.955,1031 13.669,1032 1.576,1033 17.634,1034 4.602,1035 11.421,1036 11.744,1037 8.039,1038 22.305,1039 11.222,1040 3.847,1041 1.435,1042 19.61,1043 4.355,1044 12.618,1045 12.934,1046 8.718,1047 24.972,1048 12.403,1049 3.203,1050 15.757,1051 21.604,1052 3.923,1053 13.898,1054 14.205,1055 9.589,1056 27.704,1057 13.663,1058 3.173,1059 12.336,1060 23.616,1061 3.847,1062 15.158,1063 15.45,1064 10.339,1065 30.42,1066 14.907,1067 2.989,1068 11.029,1069 25.64,1070 3.454,1071 16.45,1072 16.727,1073 11.182,1074 33.16,1075 16.183,1076 2.841,1077 9.696,1078 27.676,1079 3.282,1080 17.743,1081 18.002,1082 11.971,1083 35.897,1084 17.46,1085 2.754,1086 9.124,1087 29.721,1088 3.195,1089 19.051,1090 19.291,1091 12.805,1092 38.644,1093 18.751,1094 2.615,1095 8.773,1096 31.775,1097 3.146,1098 20.363,1099 20.584,1100 13.616,1101 41.39,1102 20.048,1103 58270,1104 95512,1105 35.142,1106 70.694,1107 90.631,1108 95.176,1109 95.762,1110 89.377,1111 89.25,1112 96.62,1113 32.089,1114 276.948,1115 87.139,1116 5.847,1117 5.976,1118 7.678,1119 5.955,1120 5.847,1121 5.847,1122 3.925,1123 24.986,1124 5.774,1125 45.792,1126 1.563,1127 1.641,1128 1.651,1129 1.541,1130 1.539,1131 1.666,1132 0.553,1133 4.775,1134 1.502,1135 4.097,1136 4.129,1137 4.014,1138 4.013,1139 7.478,1140 3.921,1141 3.957,1142 4.004,1143 3.878,1144 3.788,1145 7.472,1146 3.837,1147 3.861,1148 3.909,1149 3.782,1150 3.686,1151 7.439,1152 3.649,1153 3.775,1154 3.823,1155 3.686,1156 3.618,1157 7.429,1158 3.473,1159 3.7,1160 3.752,1161 3.598,1162 3.583,1163 7.426,1164 3.293,1165 3.664,1166 3.711,1167 3.556,1168 3.536,1169 7.423,1170 3.068,1171 3.643,1172 3.697,1173 3.506,1174 3.484,1175 7.421,1176 2.932,1177 3.474,1178 3.528,1179 3.37,1180 3.31,1181 6.352,1182 2.771,1183 0.084,1184 0.069,1185 0.141,1186 0.083,1187 0.066,1188 4.847,1189 0.066,1190 3.976,1191 0.04,1192 8.155,1193 0.272,1194 4.827,1195 0.065,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.816,1208 1.769,1209 2.003,1210 2.019,1211 1.277,1212 2.005,1213 1.757,1214 1.711,1215 1.96,1216 1.962,1217 1.24,1218 1.892,1219 1.706,1220 1.66,1221 1.917,1222 1.901,1223 1.226,1224 1.772,1225 1.688,1226 1.636,1227 1.913,1228 1.867,1229 1.205,1230 1.588,1231 1.613,1232 1.572,1233 1.85,1234 1.826,1235 1.172,1236 1.503,1237 1.579,1238 1.521,1239 1.814,1240 1.745,1241 1.05,1242 1.389,1243 1.482,1244 1.415,1245 1.728,1246 1.711,1247 0.974,1248 1.224,1249 4.762,1251 6.159,1252 3.045,1253 7.741,1254 5.416,1255 9.422,1256 7.564,1257 11.168,1259 15.469,1263 5.635,1264 18.192,1265 2.303,1266 10.742,1267 13.074,1269 -0.617,1270 -6.454,1271 1.489,1272 -0.265,1273 33.733,1274 187.438,1275 368.056,1276 556.493,1277 670.732,1278 691.487,1279 701.487,1280 312.174,1281 8.873,1282 255.79,1283 255.79,1284 20,1285 13.494,1286 3,1287 3,1288 122.076,1289 363,1290 356,1291 0.158,1292 409.809,1293 779.31,1294 991.694,1295 112658,1297 41.154,1298 0.748,1299 0.607,1300 41.154,1301 33.385,1302 25.613,1303 0.442,1304 0.339,1305 19.401,1306 24.453,1307 18.716,1308 15.508,1309 25.613,1310 19.661,1311 25.237,1312 0.29,1313 0.198,1314 25.237,1315 17.209,1316 19.77,1317 0.173,1318 0.109,1319 19.77,1320 12.392,1321 15.75,1322 0.109,1323 0.06,1324 15.75,1325 8.718,1326 11.89,1327 0.068,1328 0.033,1329 11.89,1330 5.845,1331 0.253,1332 162.337,1333 0.169,1334 46.357,1335 0.418,1336 290,1337 902.575,1338 329.816,1339 835.077,1340 1079.02,1341 768,1342 346,1343 739.218,1344 383.608,1345 734.011,1346 1083.41,1347 689,1348 4.222}
{0 CHEMBL420168,1 1.741,2 10.393,3 4.445,4 19.756,5 107.288,6 9.391,7 0.71,8 3.888,9 3.943,10 3.783,11 3.531,12 5.159,13 3.518,14 4.335,15 4.401,16 4.064,17 3.904,18 5.947,19 3.894,20 4.601,21 4.725,22 4.185,23 4.038,24 5.969,25 4.013,26 4.664,27 4.799,28 4.194,29 3.963,30 6.091,31 3.949,32 4.63,33 4.773,34 4.053,35 3.804,36 6.237,37 3.807,38 4.474,39 4.641,40 3.762,41 3.611,42 5.935,43 3.609,44 4.263,45 4.418,46 3.678,47 3.574,48 5.742,49 3.552,50 4.223,51 4.359,52 3.659,53 3.641,54 5.497,55 3.586,56 0.21,57 0.57,58 7.956,59 4.189,60 39.638,61 3.393,62 0.441,63 0.858,64 9.376,65 6.101,66 88.138,67 5.958,68 0.46,69 1.161,70 15.938,71 8.252,72 67.541,73 8.359,74 0.603,75 1.258,76 18.92,77 8.51,78 86.811,79 7.791,80 0.857,81 1.195,82 22.142,83 8.23,84 137.332,85 7.312,86 0.755,87 1.002,88 19.05,89 6.746,90 114.62,91 6.124,92 0.564,93 0.798,94 12.833,95 5.535,96 80.949,97 5.756,98 0.34,99 0.741,100 11.23,101 5.931,102 53.116,103 5.986,105 27,106 46,107 0.296,108 0.517,109 0.651,110 0.781,111 0.868,112 0.909,113 3.375,114 0.934,115 -3.81,116 -3.77,117 -3.58,120 47.6,140 11,141 4,142 5,161 1,162 2,164 1,165 14,167 1,168 2,171 2,173 2,176 16,177 2,182 11,185 2,187 6,190 12,191 2,195 13,198 2,200 7,201 1,203 5,204 2,207 11,208 1,210 2,211 1,212 5,215 3,216 1,219 2,220 6,221 1,223 1,225 4,227 5,230 2,231 1,234 1,235 1,236 5,239 10,250 4,253 13,254 1,258 2,263 4,264 1,266 13,267 2,270 1150,271 18.524,272 18.524,273 18.524,274 18.524,275 18.524,276 15.446,277 11.379,278 10.636,279 18.796,280 15.283,281 15.283,282 15.283,283 15.283,284 15.283,285 10.619,286 7.869,287 5.003,288 15.763,289 3.651,290 2.354,291 1.563,292 0.8,293 0.286,294 0.048,295 4.068,301 1,302 1,303 632,304 3.536,307 271.013,311 230.945,313 1.421,314 46.863,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 62,326 291,327 4.908,328 5.175,329 7.312,330 4.379,331 3.443,332 4.863,333 2.925,334 12.608,335 3.226,336 4.561,337 3.259,338 6.629,339 4.091,340 3.11,341 4.497,343 10.504,344 3.049,345 4.45,346 3.2,347 6.596,348 3.932,349 2.969,350 4.282,352 10.331,353 2.822,354 3.831,355 2.632,356 5.715,357 3.366,358 2.389,359 3.347,361 7.512,362 2.329,363 3.709,364 2.453,365 5.652,366 3.262,367 2.29,368 3.191,370 7.304,371 2.219,372 3.315,373 2.333,374 4.982,375 2.803,376 1.821,377 2.664,379 5.504,380 1.787,381 3.224,382 1.903,383 4.725,384 2.739,385 1.752,386 2.556,388 4.897,389 1.727,390 2.954,391 1.631,392 3.872,393 2.448,394 1.456,395 2.149,397 3.177,398 1.443,399 2.899,400 1.462,401 3.812,402 2.41,403 1.418,404 2.088,406 3.06,407 1.405,408 2.654,409 1.329,410 3.668,411 2.076,412 1.094,413 1.616,415 2.713,416 1.072,417 2.333,418 1.174,419 3.552,420 1.858,421 0.88,422 1.257,424 2.122,425 0.856,426 2.33,427 1.019,428 3.47,429 1.778,430 0.8,431 1.184,433 2.006,434 0.779,435 1.592,436 0.663,437 3.145,438 1.238,439 0.311,440 0.376,442 0.804,443 0.285,444 1.295,445 0.439,446 2.697,447 0.789,448 -0.169,449 -0.238,451 -0.408,452 -0.16,453 1.008,454 0.03,455 2.593,456 0.538,457 -0.444,458 -0.622,460 -1.122,461 -0.432,462 13.3,463 0.475,464 0.899,465 0.032,466 43.75,467 1.563,468 26.5,469 0.946,470 17.25,471 0.616,472 17.85,473 0.637,474 28.7,475 0.683,476 35.178,477 1.256,478 8.55,479 0.305,480 4.809,481 0.172,482 0.125,483 0.063,484 0.338,490 0.711,491 0.857,492 0.774,493 1.013,494 0.902,495 0.732,496 0.484,497 1.068,498 0.732,499 0.954,500 0.456,501 0.912,502 0.758,503 1.139,504 0.817,505 0.98,506 0.73,507 0.955,508 1.056,509 1.26,510 0.988,511 1.107,512 1.007,513 1.06,514 1.196,515 1.199,516 1.157,517 1.103,518 1.07,519 1.025,520 1.42,521 0.872,522 1.038,523 0.779,524 1.406,525 0.89,526 0.87,527 0.674,528 0.761,529 0.66,530 0.83,531 0.826,532 0.933,533 0.847,534 0.881,535 0.899,536 0.859,537 1.022,538 6,539 0.157,540 4.222,541 2.688,542 2.324,543 1.097,544 0.647,545 0.392,546 0.394,547 0.271,548 9415,549 32330,550 2.064,551 33.3,553 11,556 3,560 1.712,561 1.898,562 3.334,563 0.953,565 1,569 73.126,570 1.741,571 3.038,572 3.829,573 4.592,574 5.107,575 5.345,576 2.691,577 4.111,578 4.783,579 3.499,580 1322.53,581 8.321,582 17016.2,584 1,586 1,587 226.477,588 1.656,589 4.716,590 0.194,591 0.007,592 0.092,593 0.054,594 0.051,595 0.027,596 0.021,597 0.013,598 0.014,599 0.01,600 0.481,601 0.5,602 1,603 0.787,604 139.085,605 0.002,606 0.17,607 0.164,608 0.042,609 -0.234,610 0.109,611 0.255,612 -0.096,613 -0.025,614 -0.06,615 0.302,616 -0.083,617 0.005,618 -0.135,619 0.025,620 -0.058,621 -0.001,622 -0.035,623 -0.091,624 -0.203,625 -0.037,626 -0.165,627 -0.094,628 -0.15,629 -0.015,630 -0.143,631 -0.115,632 -0.134,633 0.075,634 -0.096,635 -0.204,636 0.154,637 -0.103,638 0.109,639 -0.206,640 0.06,641 0.098,642 0.317,643 0.04,644 0.192,645 0.065,646 0.123,647 -0.118,648 0.06,649 -0.049,650 0.029,651 -0.102,652 -0.04,653 5.456,654 4.616,655 0.714,656 22.577,657 1.029,658 1.106,659 2.579,660 6.65,661 0.726,662 3.466,663 3.85,664 4.143,665 4.431,666 4.7,667 4.745,668 4.844,669 4.875,670 5.017,671 5.05,672 6.224,673 0.713,674 394.43,675 3.466,676 5.043,677 5.916,678 6.828,679 7.72,680 8.632,681 9.531,682 10.443,683 11.345,684 12.257,685 4.8,697 2,698 4,699 11,704 5,706 22,717 2,720 42,723 25,724 4,725 31,727 45,728 20,729 20,730 9,731 11,735 4,736 6,749 20,754 3,757 1,759 2,762 2,765 1,768 14,769 7,770 3,771 8,772 1,775 2,779 1,780 0.5,781 5,789 4,793 2,811 1,813 2,815 1,821 28,825 1,827 3,840 11.9,841 1,842 2,843 2,847 14.75,848 7.417,849 5.944,850 2.253,851 5.286,852 1.681,853 0.978,854 4.418,855 13.049,856 3.829,857 4.564,858 5.214,859 5.889,860 6.532,861 6.901,862 7.369,863 7.752,864 8.23,865 8.529,866 0.857,867 50,868 10.836,870 5.288,871 8.211,872 18.929,874 15.967,877 2.711,878 75.917,881 1,882 129.482,883 122.934,884 33.326,886 168.776,888 1.339,889 121.595,890 298.258,891 33.326,894 144.674,895 129.68,896 17.356,897 33.326,898 129.482,900 129.482,901 154.921,902 168.776,903 1.339,905 129.482,906 129.68,907 39.096,910 121.595,911 34.665,913 129.482,914 202.102,915 122.934,917 1.339,918 129.482,919 17.356,920 104.239,922 202.102,923 129.482,924 202.102,925 122.934,927 0.599,928 0.353,929 0.195,930 0.111,931 24,932 11,933 0.067,934 3,935 2,936 1.2,937 3.822,938 254.695,939 0.2,940 20,941 130.606,944 1,945 18.231,946 6.786,947 3.296,948 1.929,949 202.102,950 17.818,955 -0.722,957 124.463,958 454.518,959 45,962 -4.539,964 23.232,967 8.066,969 43.218,970 46.455,971 0.323,972 0.563,973 0.71,974 0.852,975 0.947,976 0.991,977 5.078,978 1.456,979 5.958,980 4.897,981 4.533,982 5.252,983 2.896,984 6.86,985 4.468,986 6.367,987 1.418,988 7.583,989 3.177,990 4.369,991 5.4,993 8.087,994 4.222,995 7.744,996 1.094,997 9.321,998 3.06,999 6.256,1000 7.697,1001 4.993,1002 11.165,1003 6.106,1004 9.165,1005 0.88,1006 11.124,1007 2.713,1008 6.889,1009 8.642,1011 13.17,1012 6.642,1013 10.62,1014 0.8,1015 12.969,1016 2.122,1017 8.315,1018 10.463,1019 7.133,1020 15.843,1021 8.059,1022 12.098,1023 0.311,1024 14.841,1025 2.006,1026 9.279,1027 11.75,1029 18.14,1030 8.933,1031 13.594,1032 -0.169,1033 16.733,1034 0.804,1035 10.548,1036 13.397,1037 9.279,1038 20.691,1039 10.175,1040 3.443,1041 -0.444,1042 18.638,1043 -0.408,1044 11.651,1045 14.832,1047 23.108,1048 11.199,1049 3.11,1050 12.608,1051 20.555,1052 -1.122,1053 12.869,1054 16.415,1055 11.426,1056 25.625,1057 12.375,1058 2.969,1059 10.504,1060 22.48,1061 4.863,1062 14.031,1063 17.915,1065 28.095,1066 13.465,1067 2.389,1068 10.331,1069 24.413,1070 4.497,1071 15.236,1072 19.476,1073 13.572,1074 30.605,1075 14.618,1076 2.29,1077 7.512,1078 26.352,1079 4.282,1080 16.423,1081 21.005,1083 33.101,1084 15.739,1085 1.821,1086 7.304,1087 28.296,1088 3.347,1089 17.629,1090 22.56,1091 15.719,1092 35.614,1093 16.886,1094 1.752,1095 5.504,1096 30.244,1097 3.191,1098 18.83,1099 24.104,1101 38.124,1102 18.02,1103 8973,1104 16832,1105 20.285,1106 30.5,1107 47.78,1108 49.782,1109 49.1,1110 47.514,1111 47.465,1112 68.139,1113 5.85,1114 145.085,1115 45.997,1116 5.546,1117 7.175,1118 6.996,1119 5.405,1120 5.443,1121 7.863,1122 5.85,1123 20.487,1124 5.226,1125 14.958,1126 1.541,1127 1.606,1128 1.584,1129 1.533,1130 1.531,1131 2.198,1132 0.189,1133 4.68,1134 1.484,1135 4.165,1136 4.161,1137 4.729,1138 4.141,1139 7.762,1140 4.105,1141 4.069,1142 4.08,1143 4.054,1144 4.029,1145 6.999,1146 4.023,1147 3.763,1148 3.7,1149 3.954,1150 3.709,1151 6.473,1152 3.606,1153 3.537,1154 3.582,1155 3.478,1156 3.414,1157 6.466,1158 3.42,1159 3.417,1160 3.432,1161 3.354,1162 3.311,1163 6.312,1164 3.303,1165 3.098,1166 3.138,1167 3.01,1168 2.97,1169 4.985,1170 2.97,1171 2.992,1172 3.034,1173 2.937,1174 2.844,1175 4.804,1176 2.836,1177 2.828,1178 2.891,1179 2.733,1180 2.644,1181 4.672,1182 2.657,1183 0.158,1184 0.167,1185 0.236,1186 0.141,1187 0.111,1188 4.908,1189 0.157,1190 5.175,1191 0.094,1192 7.312,1193 0.407,1194 4.379,1195 0.104,1196 3.443,1197 4.863,1198 2.925,1199 12.608,1200 3.226,1201 2.094,1202 2.093,1203 2.14,1204 2.151,1205 1.322,1206 2.16,1207 2.057,1208 2.043,1209 2.115,1210 2.112,1211 1.27,1212 2.121,1213 1.574,1214 1.616,1215 1.644,1216 1.696,1217 0.737,1218 1.739,1219 1.496,1220 1.461,1221 1.598,1222 1.653,1223 0.678,1224 1.646,1225 1.334,1226 1.342,1227 1.268,1228 1.509,1229 0.434,1230 1.509,1231 1.067,1232 1.032,1233 1.23,1234 1.251,1235 0.316,1236 1.25,1237 0.922,1238 0.894,1239 0.969,1240 1.145,1241 0.11,1242 1.137,1243 0.766,1244 0.708,1245 0.932,1246 1.018,1247 0.029,1248 1.008,1249 4.143,1251 5.509,1253 7.083,1255 8.753,1257 10.474,1264 30.133,1273 29.965,1274 73.126,1275 127.615,1276 160.814,1277 192.868,1278 214.477,1279 224.477,1280 64.441,1281 7.763,1282 119.55,1283 127.93,1284 24,1285 12.773,1286 4.7,1287 3.907,1288 42.412,1289 105,1290 100,1291 0.199,1292 185.543,1293 316.94,1294 444.485,1295 25863,1297 19.889,1298 0.71,1299 0.54,1300 20.139,1301 15.128,1302 13.359,1303 0.431,1304 0.311,1305 8.234,1306 12.193,1307 7.969,1308 6.584,1309 14.254,1310 9.647,1311 12.944,1312 0.281,1313 0.163,1314 14.312,1315 7.507,1316 10.576,1317 0.171,1318 0.085,1319 11.299,1320 5.267,1321 9.027,1322 0.109,1323 0.045,1324 9.722,1325 3.776,1326 7.708,1327 0.071,1328 0.024,1329 8.43,1330 2.648,1331 0.308,1332 92.661,1333 0.222,1334 26.388,1335 0.555,1336 154,1337 514.071,1338 201.818,1339 522.623,1340 701.83,1341 476,1342 185,1343 490.909,1344 241.391,1345 536.404,1346 782.03,1347 502,1348 4.046}
{0 CHEMBL425679,1 1.67,2 10.8,3 4.682,4 21.917,5 104.762,6 9.237,7 0.444,8 3.787,9 3.863,10 3.578,11 3.487,12 5.012,13 3.429,14 4.259,15 4.372,16 4.054,17 3.879,18 5.551,19 3.791,20 4.473,21 4.605,22 4.067,23 4.012,24 5.687,25 3.903,26 4.543,27 4.687,28 4.02,29 4.026,30 5.777,31 3.884,32 4.56,33 4.724,34 4.083,35 3.918,36 6.03,37 3.802,38 4.377,39 4.574,40 3.592,41 3.749,42 5.468,43 3.575,44 4.16,45 4.352,46 3.488,47 3.538,48 5.31,49 3.407,50 4.087,51 4.243,52 3.432,53 3.458,54 5.36,55 3.337,56 0.051,57 0.472,58 5.541,59 3.517,60 10.268,61 3.865,62 0.246,63 0.832,64 14.72,65 6.368,66 34.768,67 6.81,68 0.297,69 0.973,70 16.299,71 8.161,72 42.107,73 8.881,74 0.204,75 1.106,76 25.402,77 10.465,78 43.399,79 10.614,80 0.503,81 1.122,82 25.176,83 9.978,84 98.475,85 10.117,86 0.225,87 0.973,88 24.794,89 9.296,90 42.129,91 9.828,92 0.168,93 0.748,94 15.941,95 6.62,96 32.817,97 7.401,98 0.206,99 0.662,100 14.017,101 6.021,102 41.026,103 6.024,105 28,106 38,107 0.293,108 0.603,109 0.681,110 0.771,111 0.834,112 0.834,113 3.267,114 0.98,115 -4.37,116 -4.31,117 -4.06,120 47.5,121 1,126 1,136 1,138 1,140 9,141 3,153 2,154 1,162 1,164 1,165 15,167 1,168 1,169 1,171 1,176 20,181 1,182 3,185 1,190 20,195 4,196 1,203 15,204 1,206 1,207 5,210 1,212 1,215 12,216 1,220 5,225 1,227 8,228 2,231 4,236 2,239 6,240 2,245 4,250 2,253 5,254 2,258 6,263 2,266 3,267 1,270 896,271 16.552,272 16.552,273 16.552,274 16.552,275 16.552,276 14.437,277 8.938,278 9.703,279 16.894,280 13.284,281 13.284,282 13.284,283 13.284,284 13.284,285 10.08,286 6.613,287 4.582,288 13.882,289 3.652,290 1.886,291 1.439,292 0.925,293 0.569,294 0.569,295 3.943,301 1,302 1,303 570,304 3.24,306 76.956,307 178.236,313 1.744,314 27.625,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 53.5,326 270,327 4.536,328 4.918,329 6.812,330 4.167,331 3.233,332 4.055,333 4.507,334 11.121,335 3.046,336 4.238,337 3.738,338 6.208,339 3.874,340 2.884,341 3.807,342 2.376,343 9.145,344 2.848,345 3.983,346 3.632,347 6.108,348 3.645,349 2.674,350 3.346,351 1.195,352 8.808,353 2.584,354 3.562,355 3.279,356 5.345,357 3.17,358 2.18,359 2.883,360 0.557,361 6.344,362 2.136,363 3.425,364 2.886,365 4.755,366 2.928,367 1.965,368 2.634,369 0.116,370 5.054,371 1.899,372 3.239,373 2.63,374 4.577,375 2.729,376 1.781,377 2.436,379 4.644,380 1.651,381 2.982,382 1.925,383 4.437,384 2.459,385 1.54,386 2.046,388 4.224,389 1.376,390 2.612,391 1.862,392 3.801,393 2.149,394 1.177,395 1.65,397 2.781,398 1.13,399 2.5,400 1.676,401 3.478,402 2,403 1,404 1.5,406 2.275,407 1,408 2.5,409 1.359,410 3.414,411 2,412 1,413 1.5,415 2.136,416 1,417 2.059,418 1.034,419 3.247,420 1.748,421 0.793,422 0.933,424 2.094,425 0.743,426 1.616,427 1,428 2.821,429 1.105,430 0.168,431 0.214,433 0.404,434 0.149,435 0.996,436 1,437 2.501,438 0.607,439 -0.387,440 -0.501,442 -0.895,443 -0.382,444 0.689,445 0.669,446 2.306,447 0.252,448 -0.775,449 -0.922,451 -1.963,452 -0.645,453 0.648,454 0.082,455 2.115,456 0.111,457 -0.81,458 -1.06,460 -2,461 -0.742,462 12.567,463 0.503,464 0.703,465 0.028,466 32.5,467 1.3,468 17.5,469 0.7,470 15,471 0.6,472 20.055,473 0.802,474 25.233,475 0.631,476 24.047,477 0.962,478 6.549,479 0.262,480 5.42,481 0.217,482 0.186,484 0.35,490 0.701,491 0.935,492 0.626,493 0.72,494 0.649,495 0.766,496 0.427,497 0.942,498 0.577,499 0.753,500 0.448,501 0.813,502 0.772,503 0.853,504 0.785,505 0.828,506 0.944,507 0.943,508 0.782,509 1.193,510 1.287,511 1.314,512 0.793,513 1.19,514 0.786,515 1.035,516 0.913,517 1.078,518 0.771,519 1.01,520 0.77,521 1.088,522 1.311,523 1.216,524 0.771,525 1.142,526 0.829,527 0.924,528 0.889,529 0.909,530 0.826,531 0.96,532 1.338,533 1.012,534 1.064,535 0.999,536 1.331,537 1.083,538 5,539 0.123,540 3.333,541 2.326,542 1.383,543 0.917,544 0.576,545 0.308,546 0.237,547 0.185,548 7050,549 23804,550 2.015,551 37.5,552 3,553 11,556 1,560 1.678,561 1.852,562 3.39,563 -0.317,569 66.808,570 1.67,571 3.436,572 3.883,573 4.396,574 4.753,575 4.753,576 2.923,577 4.084,578 4.612,579 3.554,580 1066.06,581 7.966,582 12929.4,584 1,587 212.877,588 1.516,589 4.555,590 0.185,591 0.008,592 0.088,593 0.06,594 0.038,595 0.027,596 0.024,597 0.014,598 0.012,599 0.01,600 0.466,601 0.17,602 1,603 1.022,604 121.117,605 -0.062,606 -0.013,607 0.02,608 0.056,609 -0.086,610 0.04,611 0.255,612 0.047,613 0.217,614 0.106,615 0.149,616 0.055,617 0.055,618 0.075,619 0.039,620 0.061,621 -0.097,622 -0.025,623 -0.029,624 -0.218,625 -0.184,626 -0.245,627 -0.012,628 -0.2,629 0.273,630 -0.043,631 0.123,632 -0.071,633 0.302,634 -0.023,635 -0.059,636 -0.086,637 -0.186,638 -0.14,639 -0.039,640 -0.082,641 -0.029,642 0.037,643 0.032,644 0.03,645 -0.013,646 0.057,647 -0.197,648 -0.079,649 -0.133,650 -0.048,651 -0.183,652 -0.12,653 2.748,654 5.451,655 0.68,656 23.648,657 1.011,658 1.097,659 3.144,660 9.883,661 0.75,662 3.332,663 3.664,664 3.932,665 4.174,666 4.344,667 4.317,668 4.443,669 4.466,670 4.489,671 4.575,672 6.308,673 0.706,674 369.49,675 3.332,676 4.875,677 5.727,678 6.608,679 7.48,680 8.366,681 9.247,682 10.135,683 11.021,684 11.91,685 2.5,692 1,699 9,704 3,706 12,720 40,723 16,724 2,725 27,727 42,728 19,729 12,730 3,731 9,732 3,735 3,736 3,741 1,749 17,750 2,754 4,759 2,760 1,763 5,765 1,768 15,769 4,770 1,771 6,772 2,775 1,777 1,780 1,781 3,788 1,789 2,802 1,805 1,806 1,810 1,811 1,813 3,815 2,817 1,821 25,827 1,828 1,831 1,834 1,840 7.5,842 1,843 2,847 13.5,848 7.567,849 5.5,850 2.25,851 2.883,852 1.411,853 0.962,854 5.256,855 9.892,856 3.638,857 4.205,858 4.727,859 5.255,860 5.763,861 5.94,862 6.41,863 6.768,864 7.123,865 7.442,866 1,867 39,868 9.241,870 3.966,871 7.993,872 17.216,874 13.99,877 2.493,878 62.333,881 1,882 164.795,883 193.536,884 3.124,886 92.973,888 77.412,889 116.125,890 257.769,891 3.124,892 8.825,893 5.23,894 85.286,895 100.138,896 12.742,898 197.015,899 45.192,900 164.795,901 119.249,902 92.973,903 77.412,905 164.795,906 92.973,909 14.055,910 103.643,911 1.551,912 77.412,913 164.795,914 96.098,915 193.536,918 164.795,919 54.233,920 97.236,922 138.165,923 164.795,924 96.098,925 193.536,927 0.585,928 0.342,929 0.185,930 0.102,931 18,932 9,933 0.095,934 4,936 1,937 3.653,938 202.895,940 17,941 106.096,942 1,943 1,945 17.711,946 7.42,947 3.778,949 96.098,950 17.963,955 3.13,957 42.683,958 454.429,959 37,964 23.337,965 5.137,968 0.135,969 40.422,970 43.873,971 0.314,972 0.646,973 0.73,974 0.826,975 0.893,976 0.893,977 4.875,978 1.177,979 5.727,980 4.224,981 4.344,982 4.89,983 3.942,984 6.555,985 4.266,986 6.09,987 1,988 7.305,989 2.781,990 4.007,991 4.677,992 3.389,993 7.509,994 3.881,995 7.402,996 1,997 8.985,998 2.275,999 5.953,1000 7.019,1001 6.62,1002 10.624,1003 5.803,1004 8.747,1005 0.793,1006 10.725,1007 2.136,1008 6.431,1009 7.576,1010 6.572,1011 12.408,1012 6.221,1013 10.123,1014 0.168,1015 12.504,1016 2.094,1017 7.876,1018 9.425,1019 9.516,1020 15.047,1021 7.643,1022 11.521,1023 -0.387,1024 14.309,1025 0.404,1026 8.719,1027 10.351,1028 9.769,1029 17.167,1030 8.419,1031 12.937,1032 -0.775,1033 16.133,1034 -0.895,1035 9.972,1036 11.979,1037 12.455,1038 19.643,1039 9.642,1040 3.233,1041 -0.81,1042 17.972,1043 -1.963,1044 10.981,1045 13.102,1046 12.938,1047 21.909,1048 10.584,1049 2.884,1050 11.121,1051 19.821,1052 -2,1053 12.161,1054 14.617,1055 15.409,1056 24.328,1057 11.724,1058 2.674,1059 9.145,1060 21.679,1061 4.055,1062 13.247,1063 15.85,1064 16.071,1065 26.661,1066 12.743,1067 2.18,1068 8.808,1069 23.544,1070 3.807,1071 14.403,1072 17.304,1073 18.371,1074 29.062,1075 13.851,1076 1.965,1077 6.344,1078 25.415,1079 3.346,1080 15.524,1081 18.601,1082 19.177,1083 31.429,1084 14.907,1085 1.781,1086 5.054,1087 27.291,1088 2.883,1089 16.675,1090 20.022,1091 21.34,1092 33.826,1093 16.003,1094 1.54,1095 4.644,1096 29.171,1097 2.634,1098 17.814,1099 21.356,1100 22.262,1101 36.21,1102 17.078,1103 6931,1104 12928,1105 17.512,1106 29.994,1107 41.613,1108 45.666,1109 42.449,1110 40.833,1111 40.787,1112 54.007,1113 17.501,1114 118.06,1115 39.124,1116 5.45,1117 6.918,1118 6.614,1119 5.29,1120 5.233,1121 7.055,1122 8.641,1123 18.624,1124 5.046,1125 14.06,1126 1.541,1127 1.691,1128 1.572,1129 1.512,1130 1.511,1131 2,1132 0.648,1133 4.373,1134 1.449,1135 4.026,1136 4.046,1137 4.22,1138 3.991,1139 7.475,1140 3.979,1141 3.849,1142 3.868,1143 3.936,1144 3.811,1145 7.427,1146 3.778,1147 3.71,1148 3.738,1149 3.697,1150 3.643,1151 6.351,1152 3.61,1153 3.455,1154 3.475,1155 3.45,1156 3.282,1157 4.849,1158 3.29,1159 3.207,1160 3.231,1161 3.409,1162 3.124,1163 4.747,1164 3.058,1165 2.88,1166 2.939,1167 2.991,1168 2.797,1169 4.613,1170 2.771,1171 2.854,1172 2.925,1173 2.841,1174 2.735,1175 4.128,1176 2.715,1177 2.854,1178 2.925,1179 2.708,1180 2.735,1181 3.674,1182 2.715,1183 0.168,1184 0.182,1185 0.252,1186 0.154,1187 0.12,1188 4.536,1189 0.15,1190 4.918,1191 0.167,1192 6.812,1193 0.412,1194 4.167,1195 0.113,1196 3.233,1197 4.055,1198 4.507,1199 11.121,1200 3.046,1201 2.003,1202 1.983,1203 2.097,1204 2.059,1205 1.221,1206 2.074,1207 1.806,1208 1.781,1209 1.929,1210 1.887,1211 1.034,1212 1.903,1213 1.555,1214 1.526,1215 1.7,1216 1.789,1217 0.857,1218 1.758,1219 1.465,1220 1.448,1221 1.636,1222 1.596,1223 0.78,1224 1.624,1225 1.036,1226 1.071,1227 1.181,1228 1.326,1229 0.315,1230 1.264,1231 0.966,1232 0.939,1233 1.181,1234 1.072,1235 0.218,1236 1.13,1237 0.906,1238 0.85,1239 1.175,1240 1.062,1241 0.218,1242 1.107,1243 0.886,1244 0.821,1245 1.086,1246 1.062,1247 0.197,1248 1.107,1249 4.007,1251 5.333,1252 2.398,1253 6.849,1254 4.844,1255 8.447,1256 7.002,1257 10.09,1259 1.852,1264 8.911,1265 -0.408,1268 1.151,1271 1.125,1273 28.228,1274 66.808,1275 137.454,1276 155.328,1277 175.858,1278 190.122,1279 190.122,1280 51.441,1281 7.009,1282 59.3,1283 119.63,1284 17,1285 12.44,1286 4.087,1287 3.459,1288 41.921,1289 94,1290 92,1291 0.221,1292 182.616,1293 326.37,1294 437.342,1295 9503,1297 17.974,1298 0.719,1299 0.603,1300 18.828,1301 15.064,1302 11.969,1303 0.443,1304 0.327,1305 7.632,1306 11.066,1307 7.298,1308 6.059,1309 12.666,1310 8.818,1311 10.961,1312 0.288,1313 0.189,1314 12.11,1315 7.195,1316 9.021,1317 0.18,1318 0.109,1319 10.257,1320 5.458,1321 7.437,1322 0.116,1323 0.061,1324 8.716,1325 3.873,1326 5.897,1327 0.078,1328 0.035,1329 7.244,1330 2.667,1331 0.347,1332 81.054,1333 0.239,1334 24.378,1335 0.601,1336 130,1337 408.987,1338 184.517,1339 441.861,1340 584.67,1341 408,1342 153,1343 385.938,1344 195.497,1345 418.622,1346 613.13,1347 392,1348 4.638}
{0 CHEMBL429694,1 1.8,2 18.522,3 6.338,4 40.165,5 183.378,6 9.325,7 0.667,8 4.385,9 4.46,10 4.311,11 4.034,12 5.615,13 4.009,14 4.851,15 4.933,16 4.573,17 4.411,18 6.489,19 4.389,20 5.105,21 5.247,22 4.677,23 4.567,24 6.408,25 4.522,26 5.207,27 5.361,28 4.712,29 4.554,30 6.552,31 4.509,32 5.231,33 5.403,34 4.669,35 4.474,36 6.651,37 4.439,38 5.141,39 5.324,40 4.449,41 4.332,42 6.662,43 4.285,44 5.001,45 5.199,46 4.248,47 4.245,48 6.256,49 4.18,50 4.865,51 5.047,52 4.283,53 4.251,54 6.117,55 4.177,56 0.305,57 1.056,58 14.374,59 6.832,60 57.78,61 5.821,62 0.779,63 1.561,64 17.658,65 10.275,66 161.371,67 10.587,68 0.576,69 2.11,70 27.186,71 13.543,72 84.975,73 14.175,74 0.804,75 2.35,76 32.715,77 14.319,78 115.74,79 14.012,80 1.06,81 2.323,82 40.68,83 15.189,84 143.707,85 15.846,86 1.288,87 2.073,88 40.048,89 14.246,90 199.873,91 14.872,92 0.953,93 1.796,94 30.996,95 11.754,96 157.375,97 11.776,98 0.502,99 1.616,100 28.607,101 11.688,102 62.383,103 12.662,105 69,106 76,107 0.272,108 0.486,109 0.592,110 0.698,111 0.715,112 0.724,113 3.853,114 0.964,115 -4.04,116 -3.98,117 -3.77,120 45.7,140 18,141 6,142 8,158 2,159 2,160 2,161 2,162 4,164 2,165 21,167 2,168 6,171 4,173 2,176 26,177 4,179 2,182 20,184 2,185 2,187 10,190 22,191 4,192 6,195 20,196 2,197 2,198 2,200 8,203 12,204 4,205 4,206 4,207 20,208 2,210 2,212 6,213 2,215 10,216 2,217 2,218 2,219 4,220 16,222 4,223 6,224 2,225 6,226 2,227 8,229 4,231 10,236 4,239 14,240 4,242 4,245 12,250 6,253 20,254 4,256 2,257 1,258 8,263 6,266 22,267 2,268 2,270 4704,271 30.305,272 30.305,273 30.305,274 30.305,275 30.305,276 25.443,277 23.443,278 17.322,279 30.769,280 25.155,281 25.155,282 25.155,283 25.155,284 25.155,285 17.661,286 18.917,287 8.212,288 25.927,289 4.329,290 2.916,291 2.215,292 1.514,293 1.4,294 1.343,295 4.559,303 1866,304 4.796,307 907.124,311 503.52,313 3.017,314 73.007,317 0.25,318 0.33,319 0.5,320 0.1,322 0.33,323 0.5,324 0.29,325 101,326 852,327 4.908,328 5.175,329 7.311,330 4.378,331 3.442,332 4.862,333 2.925,334 12.592,335 3.228,336 4.908,337 5.175,338 7.311,339 4.378,340 3.442,341 4.862,342 2.925,343 12.592,344 3.228,345 4.44,346 3.205,347 6.556,348 3.926,349 2.96,350 4.271,352 10.13,353 2.883,354 4.44,355 3.205,356 6.556,357 3.924,358 2.959,359 4.271,361 10.13,362 2.818,363 4.272,364 2.91,365 6.15,366 3.884,367 2.888,368 3.936,370 9.081,371 2.816,372 3.967,373 2.674,374 5.746,375 3.514,376 2.538,377 3.536,379 7.627,380 2.475,381 3.842,382 2.609,383 5.745,384 3.396,385 2.419,386 3.333,388 7.616,389 2.359,390 3.749,391 2.539,392 5.359,393 3.305,394 2.322,395 3.251,397 6.981,398 2.279,399 3.621,400 2.44,401 5.285,402 3.217,403 2.239,404 3.01,406 6.747,407 2.188,408 3.308,409 2.315,410 5.038,411 2.795,412 1.804,413 2.658,415 5.606,416 1.787,417 3.301,418 2.281,419 5.035,420 2.79,421 1.798,422 2.65,424 5.6,425 1.782,426 3.032,427 1.635,428 4.351,429 2.518,430 1.529,431 2.238,433 4.162,434 1.511,435 2.94,436 1.574,437 3.916,438 2.443,439 1.449,440 2.135,442 3.17,443 1.44,444 2.889,445 1.483,446 3.91,447 2.411,448 1.417,449 2.068,451 3.155,452 1.407,453 2.517,454 1.325,455 3.68,456 2,457 1,458 1.5,460 2.415,461 1,462 22.067,463 0.48,464 1.533,465 0.033,466 72.5,467 1.576,468 44,469 0.957,470 28.5,471 0.62,472 34.314,473 0.746,474 46.933,475 0.67,476 67.564,477 1.469,478 13.983,479 0.304,480 7.914,481 0.172,482 0.127,483 0.076,484 0.317,490 0.591,491 0.891,492 0.786,493 1.071,494 0.871,495 0.747,496 0.422,497 1.076,498 0.739,499 0.934,500 0.384,501 0.904,502 0.767,503 1.148,504 0.859,505 0.979,506 0.688,507 0.983,508 1.058,509 1.206,510 1.027,511 1.077,512 0.972,513 1.088,514 1.008,515 1.161,516 0.993,517 1.091,518 1.004,519 1.028,520 0.998,521 0.993,522 1.103,523 0.98,524 0.962,525 1.019,526 1.348,527 0.817,528 0.972,529 0.669,530 1.275,531 0.894,532 0.766,533 0.931,534 1.023,535 1.006,536 0.622,537 0.963,538 11,539 0.371,540 6.667,541 3.875,542 3.84,543 2.431,544 1.089,545 0.778,546 0.55,547 0.334,548 46331,549 156233,550 2.067,551 34.3,553 18,556 6,560 1.824,561 1.903,562 4.038,563 2.856,569 125.991,570 1.8,571 3.213,572 3.914,573 4.615,574 4.729,575 4.786,576 3.344,577 4.002,578 5.502,579 4.358,580 4510.33,581 9.701,582 94883.4,587 429.05,588 1.667,589 5.432,590 0.216,591 0.008,592 0.088,593 0.047,594 0.049,595 0.033,596 0.018,597 0.015,598 0.01,599 0.007,600 0.491,601 0.17,602 0.63,603 0.756,604 277.716,605 0.078,606 0.204,607 0.207,608 0.01,609 -0.248,610 0.112,611 0.385,612 -0.086,613 0.001,614 -0.027,615 0.433,616 -0.048,617 -0.056,618 -0.123,619 -0.021,620 -0.057,621 -0.015,622 -0.056,623 -0.155,624 -0.146,625 -0.096,626 -0.135,627 -0.124,628 -0.167,629 0.02,630 -0.14,631 0.012,632 -0.121,633 -0.011,634 -0.054,635 0.112,636 0.025,637 -0.098,638 -0.026,639 0.126,640 -0.037,641 -0.314,642 0.176,643 -0.08,644 0.218,645 -0.272,646 0.094,647 -0.054,648 0.068,649 -0.014,650 0.007,651 0.041,652 0.068,653 5.449,654 4.979,655 0.696,656 65.989,657 1.024,658 1.112,659 2.805,660 7.868,661 0.727,662 3.951,663 4.344,664 4.615,665 4.89,666 5.187,667 5.273,668 5.342,669 5.407,670 5.525,671 5.609,672 11.25,673 0.708,674 652.76,675 3.951,676 5.541,677 6.409,678 7.318,679 8.205,680 9.115,681 10.009,682 10.919,683 11.817,684 12.727,685 8.6,689 2,697 4,698 4,699 18,704 10,706 34,713 2,720 70,723 40,724 6,725 51,727 75,728 32,729 32,730 14,731 18,735 6,736 8,749 32,754 6,757 2,759 4,762 4,768 24,769 12,770 6,771 14,772 2,775 6,779 2,780 0.667,781 6,789 6,793 2,811 2,813 4,815 2,821 46,822 2,825 2,827 2,840 8.6,841 2,843 4,847 24.167,848 12.367,849 9.667,850 3.715,851 8.483,852 1.889,853 1.03,854 8.026,855 18.024,856 4.317,857 5.043,858 5.659,859 6.311,860 6.965,861 7.361,862 7.804,863 8.212,864 8.656,865 9.015,866 0.917,867 82,868 17.932,870 8.805,871 8.134,872 31.299,874 26.444,877 2.634,878 121.167,882 211.88,883 209.555,884 132.446,886 166.818,888 2.678,889 206.877,890 378.698,891 132.446,894 317.237,895 88.626,896 36.305,897 66.652,898 211.88,900 211.88,901 339.324,902 166.818,903 2.678,905 211.88,906 88.626,907 78.192,910 272.672,911 69.33,913 211.88,914 299.264,915 209.555,917 2.678,918 211.88,919 36.305,920 170.572,922 299.264,923 211.88,924 299.264,925 209.555,927 0.602,928 0.346,929 0.184,930 0.11,931 38,932 18,933 0.093,934 7,935 2,936 1.125,937 5.396,938 485.764,939 0.125,940 32,941 196.084,944 2,945 30.84,946 11.971,947 6.343,948 1.409,949 299.264,950 29.623,955 2.696,957 143.987,958 720.7,959 74,962 -9.065,964 47.916,967 16.682,969 71.68,970 77.823,971 0.294,972 0.524,973 0.639,974 0.753,975 0.772,976 0.781,977 5.578,978 2.322,979 6.457,980 7.616,981 5.03,982 5.733,983 3.562,984 7.351,985 4.968,986 6.868,987 2.239,988 8.079,989 6.981,990 4.89,991 5.889,993 8.592,994 4.745,995 8.246,996 1.804,997 9.813,998 6.747,999 6.763,1000 8.161,1001 5.683,1002 11.644,1003 6.611,1004 9.666,1005 1.798,1006 11.613,1007 5.606,1008 7.403,1009 9.105,1011 13.662,1012 7.151,1013 11.119,1014 1.529,1015 13.456,1016 5.6,1017 8.821,1018 10.91,1019 7.826,1020 16.331,1021 8.553,1022 12.596,1023 1.449,1024 15.328,1025 4.162,1026 9.786,1027 12.193,1029 18.645,1030 9.42,1031 14.091,1032 1.417,1033 17.22,1034 3.17,1035 11.053,1036 13.834,1037 9.972,1038 21.205,1039 10.654,1040 3.442,1041 1,1042 19.129,1043 3.155,1044 12.158,1045 15.268,1047 23.639,1048 11.67,1049 3.442,1050 12.592,1051 21.049,1052 2.415,1053 13.378,1054 16.851,1055 12.119,1056 26.169,1057 12.841,1058 2.96,1059 12.592,1060 22.98,1061 4.862,1062 14.544,1063 18.354,1065 28.655,1066 13.927,1067 2.959,1068 10.13,1069 24.919,1070 4.862,1071 15.755,1072 19.919,1073 14.265,1074 31.178,1075 15.079,1076 2.888,1077 10.13,1078 26.866,1079 4.271,1080 16.949,1081 21.455,1083 33.687,1084 16.198,1085 2.538,1086 9.081,1087 28.818,1088 4.271,1089 18.162,1090 23.018,1091 16.412,1092 36.211,1093 17.346,1094 2.419,1095 7.627,1096 30.774,1097 3.936,1098 19.371,1099 24.57,1101 38.73,1102 18.484,1103 42897,1104 79102,1105 33.402,1106 50.909,1107 79.103,1108 82.3,1109 80.15,1110 78.382,1111 78.307,1112 111.657,1113 11.7,1114 239.381,1115 76.125,1116 5.581,1117 7.175,1118 6.99,1119 5.414,1120 5.442,1121 7.862,1122 5.85,1123 20.473,1124 5.228,1125 27.884,1126 1.551,1127 1.614,1128 1.572,1129 1.537,1130 1.535,1131 2.189,1132 0.229,1133 4.694,1134 1.493,1135 4.184,1136 4.182,1137 4.737,1138 4.161,1139 7.766,1140 4.123,1141 4.139,1142 4.133,1143 4.721,1144 4.122,1145 7.758,1146 4.081,1147 3.994,1148 4.015,1149 4.007,1150 3.948,1151 6.999,1152 3.942,1153 3.777,1154 3.809,1155 3.96,1156 3.71,1157 6.999,1158 3.688,1159 3.762,1160 3.699,1161 3.923,1162 3.709,1163 6.313,1164 3.606,1165 3.757,1166 3.698,1167 3.715,1168 3.686,1169 6.311,1170 3.606,1171 3.493,1172 3.538,1173 3.444,1174 3.36,1175 5.177,1176 3.359,1177 3.465,1178 3.506,1179 3.406,1180 3.347,1181 5.143,1182 3.342,1183 0.096,1184 0.101,1185 0.143,1186 0.086,1187 0.067,1188 4.908,1189 0.095,1190 5.175,1191 0.057,1192 7.311,1193 0.247,1194 4.378,1195 0.063,1196 3.442,1197 4.862,1198 2.925,1199 12.592,1200 3.228,1201 2.096,1202 2.094,1203 2.128,1204 2.15,1205 1.326,1206 2.162,1207 2.095,1208 2.093,1209 2.127,1210 2.147,1211 1.325,1212 2.161,1213 1.984,1214 1.963,1215 2.073,1216 2.05,1217 1.187,1218 2.06,1219 1.757,1220 1.725,1221 1.87,1222 1.865,1223 0.937,1224 1.867,1225 1.577,1226 1.616,1227 1.631,1228 1.698,1229 0.745,1230 1.739,1231 1.575,1232 1.616,1233 1.626,1234 1.694,1235 0.744,1236 1.738,1237 1.389,1238 1.383,1239 1.313,1240 1.595,1241 0.457,1242 1.59,1243 1.377,1244 1.371,1245 1.312,1246 1.573,1247 0.455,1248 1.574,1249 4.635,1251 6.009,1253 7.576,1255 9.232,1257 10.937,1263 12.461,1264 19.445,1273 49.533,1274 125.991,1275 224.933,1276 273.991,1277 323.05,1278 331.05,1279 335.05,1280 114.561,1281 9.541,1282 210.22,1283 226.98,1284 36,1285 13.244,1286 5.358,1287 4.585,1288 71.491,1289 323,1290 222,1291 0.106,1292 307.677,1293 530.84,1294 742.492,1295 272989,1297 32.639,1298 0.71,1299 0.55,1300 33.139,1301 25.313,1302 21.897,1303 0.429,1304 0.321,1305 13.608,1306 19.75,1307 13.106,1308 10.851,1309 23.686,1310 16.394,1311 21.595,1312 0.284,1313 0.17,1314 24.332,1315 12.93,1316 17.3,1317 0.173,1318 0.09,1319 18.745,1320 9.01,1321 14.361,1322 0.109,1323 0.048,1324 15.715,1325 6.391,1326 12.466,1327 0.07,1328 0.026,1329 13.902,1330 4.629,1331 0.176,1332 154.663,1333 0.173,1334 41.114,1335 0.268,1336 254,1337 816.167,1338 343.275,1339 846.705,1340 1143.88,1341 770,1342 303,1343 799.386,1344 408.643,1345 890.688,1346 1291.12,1347 832,1348 4.398}
{0 CHEMBL430923,1 1.432,2 11.76,3 5.147,4 26.496,5 95.41,6 8.234,7 0.786,8 3.815,9 3.892,10 3.475,11 3.435,12 5.035,13 3.433,14 4.253,15 4.349,16 3.815,17 3.775,18 5.485,19 3.763,20 4.475,21 4.632,22 3.797,23 3.804,24 5.622,25 3.774,26 4.4,27 4.569,28 3.612,29 3.668,30 5.53,31 3.623,32 4.268,33 4.447,34 3.483,35 3.585,36 5.425,37 3.521,38 4.233,39 4.43,40 3.42,41 3.578,42 5.267,43 3.501,44 4.171,45 4.364,46 3.348,47 3.513,48 5.215,49 3.432,50 4.066,51 4.259,52 3.21,53 3.357,54 5.179,55 3.271,56 0.041,57 0.469,58 6.431,59 3.521,60 8.007,61 3.85,62 0.146,63 0.743,64 10.652,65 5.513,66 16.563,67 6.207,68 0.269,69 0.957,70 16.898,71 7.171,72 27.023,73 8.092,74 0.235,75 0.894,76 16.158,77 6.69,78 27.816,79 7.503,80 0.292,81 0.789,82 14.397,83 5.993,84 34.385,85 7.12,86 0.162,87 0.776,88 13.925,89 5.947,90 21.867,91 7.396,92 0.138,93 0.715,94 12.976,95 5.706,96 18.045,97 7.102,98 0.218,99 0.65,100 11.783,101 5.003,102 23.159,103 6.24,105 2,106 38,107 0.248,108 0.465,109 0.602,110 0.767,111 0.843,112 0.851,113 3.266,114 0.843,115 -4.87,116 -4.78,117 -4.48,120 52.5,140 13,141 2,142 3,147 1,148 1,150 1,165 12,168 8,171 1,173 1,176 12,181 1,182 9,187 2,190 7,195 5,200 2,203 4,206 1,207 4,210 1,212 1,215 10,220 3,227 12,231 2,236 2,239 10,244 1,245 3,250 2,253 6,258 3,266 2,270 888,271 17.361,272 17.361,273 17.361,274 17.361,275 17.361,276 14.579,277 15.478,278 10.482,279 17.574,280 13.865,281 13.865,282 13.865,283 13.865,284 13.865,285 9.783,286 18.469,287 5.03,288 14.251,289 3.89,290 2.635,291 1.843,292 0.89,293 0.45,294 0.4,295 3.971,301 1,302 1,303 653,304 2.55,306 57.51,307 238.812,310 107.669,313 1.968,314 18.697,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 53.5,326 294,327 4.631,328 3.241,329 6.718,330 4.165,331 3.174,332 4.603,333 0.86,334 10.907,335 3.144,336 4.1,337 3.072,338 5.619,339 3.672,340 2.726,341 3.702,342 0.6,343 7.791,344 2.583,345 3.879,346 2.708,347 5.474,348 3.436,349 2.476,350 3.426,352 7.02,353 2.369,354 3.578,355 2.342,356 5.314,357 3.127,358 2.155,359 2.964,361 6.581,362 2.093,363 3.399,364 2.188,365 4.955,366 2.979,367 2.013,368 2.735,370 5.851,371 1.936,372 3.305,373 1.948,374 4.772,375 2.843,376 1.861,377 2.65,379 5.052,380 1.821,381 2.873,382 1.535,383 3.663,384 2.4,385 1.422,386 2.03,388 3.046,389 1.384,390 2.734,391 1.341,392 3.59,393 2.229,394 1.235,395 1.82,397 2.826,398 1.226,399 2.541,400 1.193,401 3.579,402 2,403 1.021,404 1.5,406 2.506,407 1,408 2.5,409 1,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.5,418 1,419 3.247,420 1.997,421 1,422 1.486,424 2.136,425 0.993,426 2.164,427 0.874,428 3.149,429 1.54,430 0.594,431 0.888,433 1.415,434 0.559,435 1.395,436 0.409,437 2.792,438 0.995,439 0.072,440 0.092,442 0.18,443 0.066,444 0.886,445 -0.192,446 2.415,447 0.501,448 -0.455,449 -0.566,451 -1.094,452 -0.43,453 0.792,454 -0.283,455 2.228,456 0.366,457 -0.573,458 -0.738,460 -1.349,461 -0.529,462 11.9,463 0.476,464 0.465,465 0.019,466 38.75,467 1.55,468 23,469 0.92,470 15.75,471 0.63,472 14.04,473 0.562,474 24.7,475 0.618,476 26.127,477 1.045,478 7.932,479 0.317,480 4.36,481 0.174,482 0.028,484 0.294,490 0.897,491 0.986,492 0.702,493 0.902,494 0.969,495 0.794,496 0.791,497 1.161,498 0.83,499 1.102,500 0.62,501 0.996,502 1.267,503 1.021,504 1.002,505 0.98,506 0.931,507 0.95,508 1.391,509 1.142,510 1.143,511 1.07,512 1.16,513 1.061,514 1.041,515 0.92,516 1.057,517 0.919,518 1.231,519 0.98,520 0.837,521 0.934,522 0.973,523 0.929,524 0.825,525 0.959,526 0.819,527 1.012,528 0.983,529 1.009,530 0.74,531 1.022,532 0.737,533 1.077,534 1.053,535 1.073,536 1.142,537 1.106,538 4,539 0.065,540 2.222,541 1.576,542 0.836,543 0.393,544 0.412,545 0.267,546 0.095,547 0.128,548 8603,549 23241,550 2.179,551 37.5,553 13,555 1,556 1,560 1.672,561 2.113,562 3.498,563 -0.396,569 57.28,570 1.432,571 2.687,572 3.479,573 4.432,574 4.872,575 4.922,576 2.904,577 4.134,578 4.617,579 3.686,580 1105.78,581 7.94,582 14045.1,587 212.877,588 1.078,589 4.606,590 0.143,591 0.005,592 0.058,593 0.044,594 0.029,595 0.015,596 0.016,597 0.012,598 0.005,599 0.009,600 0.335,601 0.33,602 1,603 0.372,604 123.345,605 -0.062,606 -0.038,607 0.037,608 0.002,609 -0.169,610 0.03,611 0.129,612 -0.197,613 -0.034,614 -0.193,615 0.099,616 -0.152,617 -0.079,618 -0.024,619 -0.034,620 -0.029,621 -0.013,622 -0.026,623 -0.179,624 -0.138,625 -0.145,626 -0.114,627 -0.092,628 -0.122,629 0.008,630 0.083,631 -0.068,632 0.049,633 -0.034,634 -0.016,635 -0.066,636 0.067,637 0.001,638 0.049,639 -0.067,640 0.043,641 -0.045,642 -0.042,643 -0.01,644 -0.023,645 0.025,646 -0.013,647 0.139,648 -0.08,649 -0.06,650 -0.097,651 -0.01,652 -0.108,653 1.761,654 3.821,655 0.84,656 23.821,657 1.007,658 1.101,659 3.638,660 13.233,661 0.717,662 3.367,663 3.664,664 3.932,665 4.19,666 4.382,667 4.317,668 4.431,669 4.543,670 4.533,671 4.605,672 6.956,673 0.696,674 329.37,675 3.367,676 4.89,677 5.733,678 6.597,679 7.455,680 8.324,681 9.189,682 10.061,683 10.93,684 11.805,685 2.5,694 1,698 2,699 13,702 1,704 5,706 22,707 1,717 1,718 1,720 40,723 23,724 3,725 28,727 43,728 21,729 20,730 5,731 13,732 1,735 4,736 5,749 21,754 1,761 1,762 1,767 1,768 15,769 4,770 1,771 4,775 1,780 0.75,781 3,788 1,789 3,792 1,813 3,821 25,827 1,830 1,840 7.5,842 1,845 2,847 11.833,848 7.15,849 5.5,850 2.271,851 4.717,852 1.638,853 1.006,854 4.233,855 12.115,856 3.714,857 4.347,858 4.983,859 5.599,860 6.134,861 6.345,862 6.777,863 7.234,864 7.495,865 7.902,866 0.875,867 36,868 9.17,870 3.892,871 7.727,872 17.376,874 14.057,877 2.227,878 55.667,881 1,882 164.795,883 157.302,884 16.786,886 63.191,889 157.302,890 227.986,891 16.786,894 123.191,895 63.502,896 56.908,897 5.449,898 153.024,900 164.795,901 174.088,902 63.191,905 164.795,906 63.191,909 18.011,910 147.03,911 9.047,913 164.795,914 79.976,915 157.302,918 164.795,919 25.064,920 132.239,922 79.976,923 164.795,924 79.976,925 157.302,927 0.573,928 0.334,929 0.185,930 0.101,931 19,932 7,933 0.093,934 4,935 1,936 1.095,937 3.94,938 201.315,939 0.095,940 21,941 108.096,945 15.486,946 6.833,947 3.417,948 1.503,949 79.976,950 24.483,953 5.371,955 2.726,957 42.683,958 402.074,959 40,966 1.606,967 4.403,969 40.269,970 44.033,971 0.269,972 0.505,973 0.654,974 0.833,975 0.915,976 0.925,977 4.909,978 1.235,979 5.687,980 3.046,981 4.344,982 5.034,983 1.163,984 6.457,985 4.289,986 6.119,987 1.021,988 7.212,989 2.826,990 3.761,991 4.691,993 7.261,994 3.658,995 7.414,996 1,997 8.837,998 2.506,999 5.889,1000 7.283,1001 0.856,1002 10.372,1003 5.783,1004 8.749,1005 1,1006 10.526,1007 2.275,1008 6.176,1009 7.853,1011 12.092,1012 6.033,1013 10.119,1014 0.594,1015 12.258,1016 2.136,1017 7.726,1018 9.841,1019 0.643,1020 14.704,1021 7.583,1022 11.516,1023 0.072,1024 14.022,1025 1.415,1026 8.444,1027 10.882,1029 16.821,1030 8.28,1031 12.935,1032 -0.455,1033 15.81,1034 0.18,1035 9.746,1036 12.599,1037 0.49,1038 19.275,1039 9.579,1040 3.174,1041 -0.573,1042 17.617,1043 -1.094,1044 10.682,1045 13.886,1047 21.557,1048 10.505,1049 2.726,1050 10.907,1051 19.44,1052 -1.349,1053 11.879,1054 15.485,1055 0.375,1056 23.964,1057 11.7,1058 2.476,1059 7.791,1060 21.277,1061 4.603,1062 12.924,1063 16.896,1065 26.311,1066 12.738,1067 2.155,1068 7.02,1069 23.125,1070 3.702,1071 14.081,1072 18.445,1073 0.286,1074 28.704,1075 13.893,1076 2.013,1077 6.581,1078 24.983,1079 3.426,1080 15.177,1081 19.915,1083 31.076,1084 14.986,1085 1.861,1086 5.851,1087 26.848,1088 2.964,1089 16.322,1090 21.447,1091 0.218,1092 33.465,1093 16.128,1094 1.422,1095 5.052,1096 28.72,1097 2.735,1098 17.444,1099 22.945,1101 35.848,1102 17.246,1103 7960,1104 13233,1105 19.474,1106 28.699,1107 42.123,1108 42.101,1109 41.997,1110 41.509,1111 41.497,1112 58.793,1113 2.92,1114 115.168,1115 40.347,1116 5.379,1117 5.241,1118 6.519,1119 5.225,1120 5.174,1121 7.603,1122 1.72,1123 17.811,1124 5.144,1125 6.445,1126 1.504,1127 1.504,1128 1.5,1129 1.482,1130 1.482,1131 2.1,1132 0.104,1133 4.113,1134 1.441,1135 4.109,1136 4.114,1137 4.081,1138 4.02,1139 6.482,1140 4.031,1141 3.941,1142 3.96,1143 3.887,1144 3.858,1145 5.042,1146 3.861,1147 3.82,1148 3.852,1149 3.752,1150 3.76,1151 4.927,1152 3.754,1153 3.428,1154 3.457,1155 3.354,1156 3.267,1157 4.731,1158 3.285,1159 3.181,1160 3.209,1161 3.121,1162 2.985,1163 4.492,1164 3.01,1165 2.959,1166 2.988,1167 2.873,1168 2.818,1169 4.33,1170 2.824,1171 2.854,1172 2.925,1173 2.696,1174 2.735,1175 3.996,1176 2.715,1177 2.854,1178 2.925,1179 2.687,1180 2.735,1181 3.674,1182 2.715,1183 0.165,1184 0.116,1185 0.24,1186 0.149,1187 0.113,1188 4.631,1189 0.164,1190 3.241,1191 0.031,1192 6.718,1193 0.39,1194 4.165,1195 0.112,1196 3.174,1197 4.603,1198 0.86,1199 10.907,1200 3.144,1201 1.944,1202 1.925,1203 2.034,1204 2.027,1205 1.158,1206 2.028,1207 1.905,1208 1.885,1209 2.013,1210 1.989,1211 1.07,1212 1.999,1213 1.828,1214 1.799,1215 1.949,1216 1.915,1217 1.014,1218 1.928,1219 1.416,1220 1.411,1221 1.51,1222 1.666,1223 0.507,1224 1.607,1225 1.104,1226 1.079,1227 1.253,1228 1.335,1229 0.3,1230 1.305,1231 0.937,1232 0.911,1233 1.181,1234 1.123,1235 0.218,1236 1.116,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.886,1244 0.821,1245 1.115,1246 1.062,1247 0.176,1248 1.107,1249 4.043,1251 5.342,1252 2.398,1253 6.838,1254 4.844,1255 8.418,1256 7.018,1257 10.041,1264 9.821,1267 5.754,1273 27.853,1274 57.28,1275 107.468,1276 139.162,1277 177.267,1278 194.877,1279 196.877,1280 31.125,1281 7.398,1282 54.96,1283 54.96,1284 23,1285 12.346,1286 4.585,1287 3.7,1288 36.282,1289 106,1290 96,1291 0.166,1292 169.218,1293 287.15,1294 404.651,1295 17824,1297 17.062,1298 0.682,1299 0.532,1300 17.062,1301 13.294,1302 12.293,1303 0.439,1304 0.281,1305 7.783,1306 11.916,1307 7.643,1308 6.347,1309 12.293,1310 7.87,1311 10.789,1312 0.284,1313 0.144,1314 10.789,1315 5.484,1316 9.189,1317 0.184,1318 0.076,1319 9.189,1320 3.776,1321 7.739,1322 0.119,1323 0.039,1324 7.739,1325 2.553,1326 6.347,1327 0.08,1328 0.021,1329 6.347,1330 1.658,1331 0.269,1332 76.421,1333 0.227,1334 24.867,1335 0.432,1336 132,1337 395.266,1338 144.46,1339 382.681,1340 534.11,1341 360,1342 154,1343 408.041,1344 166.186,1345 410.099,1346 598.9,1347 388,1348 4.824}
{0 CHEMBL431246,1 1.583,2 19.548,3 3.929,4 15.435,5 221.895,6 6.721,7 0.091,8 4.921,9 5.049,10 4.366,11 4.395,12 5.978,13 3.604,14 5.529,15 5.716,16 4.789,17 4.842,18 6.59,19 3.979,20 5.897,21 6.108,22 4.913,23 5.065,24 6.938,25 4.108,26 6.067,27 6.309,28 4.951,29 5.106,30 7.124,31 4.095,32 6.043,33 6.271,34 4.999,35 5.085,36 7.314,37 4.083,38 6.044,39 6.268,40 5.024,41 5.174,42 7.149,43 4.051,44 6.167,45 6.403,46 5.097,47 5.246,48 7.237,49 3.991,50 6.258,51 6.5,52 5.145,53 5.286,54 7.448,55 3.844,56 0.247,57 1.872,58 30.206,59 12.726,60 35.844,61 5.941,62 0.894,63 3.101,64 57.83,65 21.798,66 140.289,67 10.295,68 1.528,69 4.057,70 86.275,71 29.795,72 220.708,73 12.922,74 1.884,75 4.452,76 104.584,77 31.905,78 280.778,79 13.497,80 2.946,81 4.288,82 103.754,83 30.132,84 473.366,85 12.767,86 2.172,87 4.626,88 101.186,89 33.946,90 331.337,91 12.644,92 1.823,93 4.902,94 113.997,95 35.905,96 308.906,97 12.582,98 3.013,99 5.047,100 127.254,101 37.691,102 512.91,103 12.223,104 1,105 359,106 98,107 0.221,108 0.483,109 0.709,110 0.829,111 0.856,112 0.867,113 4.145,114 1.006,115 0.65,116 0.47,117 0.21,120 34.1,121 8,122 9,123 4,124 1,126 1,128 6,129 1,130 1,140 4,141 2,153 7,158 1,159 1,160 1,162 2,164 2,165 22,166 2,167 2,168 7,171 6,173 7,176 23,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 17,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 7,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 11,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 21,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 16,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 9,251 1,252 1,253 22,254 2,255 1,256 1,257 1,258 19,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 36,267 1,268 2,270 11156,271 39.459,272 39.459,273 39.459,274 39.459,275 39.459,276 37.642,277 44.514,278 22.418,279 39.918,280 32.42,281 32.42,282 32.42,283 32.42,284 32.42,285 29.395,286 47.856,287 10.569,288 33.161,289 5.428,290 3.552,291 1.934,292 1.076,293 0.884,294 0.807,295 4.825,303 2551,304 7.81,305 150.69,306 395.549,307 684.278,310 636.199,313 3.044,314 117.868,317 0.25,318 0.33,319 0.33,320 0.6,321 1,322 0.17,324 0.38,325 137.5,326 1212,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.615,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.282,360 1.993,361 9.697,362 2.931,363 4.016,364 3.668,365 6.223,366 3.828,367 2.842,368 3.196,369 1.956,370 9.153,371 2.796,372 3.993,373 3.612,374 6.099,375 3.736,376 2.764,377 3.146,378 1.928,379 8.795,380 2.7,381 3.88,382 3.585,383 6.063,384 3.637,385 2.654,386 3.017,387 1.905,388 8.593,389 2.624,390 3.764,391 3.527,392 5.799,393 3.574,394 2.578,395 2.909,396 0.632,397 7.733,398 2.567,399 3.621,400 3.315,401 5.64,402 3.507,403 2.553,404 2.728,405 0.382,406 7.146,407 2.362,408 3.527,409 2.838,410 5.409,411 3.186,412 2.179,413 2.69,414 0.265,415 6.572,416 2.166,417 3.452,418 2.716,419 5.302,420 3.093,421 2.095,422 2.608,423 0.159,424 6.094,425 2.086,426 3.404,427 2.616,428 4.89,429 3.072,430 2.067,431 2.586,432 0.107,433 5.693,434 2.055,435 3.245,436 2.442,437 4.69,438 3.049,439 2.056,440 2.273,441 0.014,442 5.159,443 2.015,444 3.004,445 2.355,446 4.66,447 2.92,448 1.953,449 2.005,451 5.09,452 1.881,453 2.967,454 2.316,455 4.652,456 2.812,457 1.8,458 1.968,460 4.603,461 1.812,462 28.733,463 0.463,464 2.319,465 0.037,466 56,467 0.903,468 16.5,469 0.266,470 39.5,471 0.637,472 104.899,473 1.692,474 73.867,475 0.573,476 63.603,477 1.026,478 9.657,479 0.156,480 19.368,481 0.312,482 0.258,483 0.035,484 0.385,490 0.848,491 1.456,492 0.91,493 1.303,494 0.657,495 0.915,496 0.552,497 1.287,498 0.823,499 1.177,500 0.445,501 0.981,502 0.98,503 1.175,504 1.082,505 1.192,506 0.893,507 1.068,508 1.237,509 1.157,510 1.034,511 1.093,512 1.051,513 0.956,514 1.17,515 1.01,516 1.046,517 0.941,518 1.1,519 0.959,520 1.009,521 1.153,522 1.026,523 1.152,524 0.985,525 0.92,526 1.038,527 1.131,528 0.999,529 1.097,530 0.929,531 1.017,532 1.032,533 0.901,534 0.995,535 0.877,536 1.04,537 0.966,538 18,539 1.009,540 9.778,541 6.097,542 4.966,543 2.799,544 2.199,545 1.886,546 1.607,547 1.162,548 81788,549 211988,550 1.931,551 51.9,552 26,553 12,554 1,556 8,557 4,558 14,559 2,560 1.904,561 1.73,562 4.174,563 4.074,569 204.242,570 1.583,571 3.459,572 5.077,573 5.935,574 6.127,575 6.205,576 3.604,577 5.664,578 5.926,579 4.432,580 8381.48,581 10.636,582 202756,587 904.448,588 1.735,589 5.828,590 0.273,591 0.009,592 0.102,593 0.06,594 0.048,595 0.026,596 0.019,597 0.015,598 0.013,599 0.009,600 0.574,601 0.17,602 0.38,603 2.149,604 396.933,605 -0.133,606 -0.068,607 0.017,608 -0.011,609 -0.06,610 0.03,611 0.192,612 -0.061,613 0.117,614 -0.01,615 0.142,616 -0.031,617 0.001,618 -0.011,619 -0.096,620 -0.084,621 -0.057,622 -0.109,623 -0.12,624 -0.042,625 -0.019,626 -0.026,627 -0.07,628 0.007,629 0.083,630 0.06,631 -0.004,632 0.072,633 0.118,634 -0.019,635 0.037,636 0.036,637 -0.03,638 -0.018,639 -0.001,640 0.036,641 -0.061,642 -0.068,643 -0.009,644 -0.069,645 -0.008,646 -0.047,647 0.048,648 0.048,649 0.017,650 0.059,651 0.074,652 0.015,653 3.01,654 7.403,655 0.339,656 103.897,657 1.004,658 1.137,659 -1.885,660 3.553,661 0.62,662 4.205,663 4.595,664 4.852,665 5.088,666 5.298,667 5.416,668 5.537,669 5.69,670 5.781,671 5.883,672 11.612,673 0.651,674 866.98,675 4.205,676 5.796,677 6.658,678 7.568,679 8.459,680 9.377,681 10.285,682 11.21,683 12.13,684 13.065,685 4.7,686 1,692 5,699 4,704 2,706 6,720 129,721 1,723 13,724 1,725 66,727 133,728 44,729 6,730 2,731 4,735 5,736 8,741 8,742 1,744 1,745 6,746 3,748 15,749 13,750 31,751 5,754 7,759 7,763 7,768 67,769 17,770 8,771 18,775 6,780 0.6,781 11,786 1,787 1,788 2,789 3,792 2,800 4,801 1,802 2,807 1,811 2,813 3,817 8,821 62,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 2,840 8.5,842 2,843 7,844 2,847 35.833,848 24.517,849 13.319,850 8.192,851 0.579,852 1.064,853 0.959,854 16.52,855 9.696,856 4.344,857 4.808,858 5.113,859 5.418,860 5.736,861 5.72,862 5.82,863 6.037,864 6.174,865 6.38,866 0.923,867 102,868 23.717,870 10.798,871 8.024,872 44.071,874 37.878,877 2.524,878 156.5,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.601,928 0.343,929 0.171,930 0.093,931 43,932 26,933 0.15,934 20,935 3,936 1.238,937 6.085,938 729.813,939 0.286,940 20,941 359.16,945 49.636,946 20.634,947 11.669,949 150.083,950 8.267,955 2.263,957 60.694,958 547.756,959 76,964 91.292,968 -5.946,969 129.49,970 146.694,971 0.226,972 0.493,973 0.724,974 0.847,975 0.874,976 0.885,977 5.675,978 2.578,979 6.718,980 8.593,981 5.283,982 5.497,983 3.946,984 7.624,985 5.238,986 6.871,987 2.553,988 8.355,989 7.733,990 5.198,991 5.472,992 3.633,993 8.925,994 5.133,995 8.196,996 2.179,997 10.107,998 7.146,999 7.022,1000 7.417,1001 5.157,1002 12.054,1003 6.924,1004 9.547,1005 2.095,1006 11.929,1007 6.572,1008 7.724,1009 8.114,1010 5.443,1011 14.245,1012 7.604,1013 10.932,1014 2.067,1015 13.803,1016 6.094,1017 9.127,1018 9.638,1019 6.551,1020 17.039,1021 8.979,1022 12.339,1023 2.056,1024 15.715,1025 5.693,1026 10.163,1027 10.626,1028 7.097,1029 19.575,1030 9.994,1031 13.767,1032 1.953,1033 17.658,1034 5.159,1035 11.455,1036 12.015,1037 8.039,1038 22.307,1039 11.263,1040 3.847,1041 1.8,1042 19.627,1043 5.09,1044 12.638,1045 13.135,1046 8.718,1047 24.973,1048 12.428,1049 3.203,1050 15.757,1051 21.617,1052 4.603,1053 13.916,1054 14.479,1055 9.589,1056 27.705,1057 13.685,1058 3.173,1059 12.336,1060 23.625,1061 3.847,1062 15.17,1063 15.669,1064 10.339,1065 30.421,1066 14.922,1067 2.989,1068 11.03,1069 25.646,1070 3.615,1071 16.46,1072 16.997,1073 11.182,1074 33.16,1075 16.194,1076 2.842,1077 9.697,1078 27.68,1079 3.454,1080 17.75,1081 18.229,1082 11.971,1083 35.897,1084 17.467,1085 2.764,1086 9.153,1087 29.724,1088 3.282,1089 19.056,1090 19.552,1091 12.805,1092 38.644,1093 18.757,1094 2.654,1095 8.795,1096 31.777,1097 3.196,1098 20.366,1099 20.813,1100 13.616,1101 41.39,1102 20.052,1103 79515,1104 128415,1105 40.805,1106 79.978,1107 102.819,1108 107.327,1109 107.248,1110 101.43,1111 101.308,1112 113.035,1113 32.089,1114 309.68,1115 99.192,1116 5.847,1117 5.976,1118 7.63,1119 5.96,1120 5.847,1121 6.847,1122 3.925,1123 24.986,1124 5.774,1125 49.508,1126 1.558,1127 1.626,1128 1.625,1129 1.537,1130 1.535,1131 1.713,1132 0.486,1133 4.692,1134 1.503,1135 4.103,1136 4.135,1137 4.02,1138 4.02,1139 7.478,1140 3.921,1141 3.974,1142 4.017,1143 3.895,1144 3.894,1145 7.472,1146 3.837,1147 3.919,1148 3.956,1149 3.845,1150 3.777,1151 7.439,1152 3.649,1153 3.861,1154 3.909,1155 3.782,1156 3.686,1157 7.429,1158 3.473,1159 3.773,1160 3.821,1161 3.684,1162 3.61,1163 7.426,1164 3.293,1165 3.696,1166 3.748,1167 3.595,1168 3.576,1169 7.423,1170 3.068,1171 3.658,1172 3.7,1173 3.551,1174 3.534,1175 7.421,1176 2.932,1177 3.629,1178 3.678,1179 3.503,1180 3.484,1181 6.352,1182 2.771,1183 0.073,1184 0.06,1185 0.124,1186 0.073,1187 0.058,1188 4.847,1189 0.058,1190 3.976,1191 0.035,1192 8.155,1193 0.239,1194 4.827,1195 0.057,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.946,1208 1.918,1209 2.079,1210 2.028,1211 1.31,1212 2.005,1213 1.816,1214 1.769,1215 2.003,1216 2.017,1217 1.277,1218 1.892,1219 1.756,1220 1.71,1221 1.96,1222 1.961,1223 1.239,1224 1.772,1225 1.7,1226 1.652,1227 1.913,1228 1.895,1229 1.216,1230 1.588,1231 1.673,1232 1.626,1233 1.874,1234 1.849,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.823,1240 1.826,1241 1.072,1242 1.389,1243 1.569,1244 1.513,1245 1.814,1246 1.734,1247 1.05,1248 1.224,1249 4.89,1251 6.279,1252 3.045,1253 7.849,1254 5.416,1255 9.516,1256 7.564,1257 11.248,1259 15.616,1263 5.667,1264 18.306,1265 2.854,1266 10.939,1267 13.507,1269 -0.676,1270 -6.752,1271 1.507,1272 -0.344,1273 33.733,1274 204.242,1275 446.177,1276 654.951,1277 765.654,1278 790.409,1279 800.409,1280 317.489,1281 9.117,1282 255.79,1283 255.79,1284 26,1285 13.567,1286 3.807,1287 3.459,1288 127.352,1289 435,1290 444,1291 0.138,1292 460.78,1293 869.23,1294 1116.06,1295 141787,1297 45.844,1298 0.739,1299 0.603,1300 45.844,1301 37.402,1302 29.025,1303 0.44,1304 0.335,1305 21.869,1306 27.865,1307 21.095,1308 17.472,1309 29.025,1310 22.129,1311 28.532,1312 0.291,1313 0.197,1314 28.532,1315 19.325,1316 22.326,1317 0.176,1318 0.109,1319 22.326,1320 13.817,1321 17.671,1322 0.11,1323 0.06,1324 17.671,1325 9.709,1326 13.738,1327 0.069,1328 0.034,1329 13.738,1330 6.697,1331 0.22,1332 182.806,1333 0.157,1334 50.654,1335 0.367,1336 328,1337 974.575,1338 367.816,1339 911.201,1340 1186.68,1341 840,1342 389,1343 819.218,1344 426.608,1345 819.478,1346 1204.16,1347 769,1348 5.432}
{0 CHEMBL432442,1 1.733,2 13.462,3 4.405,4 19.408,5 140.135,6 8.113,7 0.293,8 4.292,9 4.4,10 3.898,11 3.794,12 5.513,13 3.802,14 4.842,15 4.997,16 4.327,17 4.157,18 6.401,19 4.153,20 5.084,21 5.257,22 4.394,23 4.319,24 6.514,25 4.289,26 5.235,27 5.451,28 4.39,29 4.317,30 6.505,31 4.296,32 5.222,33 5.408,34 4.495,35 4.27,36 6.785,37 4.295,38 5.205,39 5.393,40 4.381,41 4.213,42 6.784,43 4.234,44 5.096,45 5.301,46 4.287,47 4.207,48 6.404,49 4.207,50 5.051,51 5.206,52 4.427,53 4.302,54 6.53,55 4.297,56 0.214,57 1.133,58 11.478,59 6.31,60 35.803,61 7.21,62 1.201,63 2.107,64 24.98,65 10.255,66 176.992,67 12.447,68 1.188,69 1.998,70 32.585,71 12.897,72 199.303,73 16.174,74 1.347,75 2.207,76 43.072,77 13.725,78 185.37,79 17.67,80 1.68,81 2.308,82 42.191,83 13.687,84 263.147,85 15.904,86 2.066,87 2.303,88 43.454,89 12.941,90 361.177,91 13.633,92 1.414,93 1.935,94 37.7,95 10.95,96 183.763,97 13.411,98 0.996,99 1.989,100 30.631,101 12.697,102 156.024,103 15.199,105 110,106 58,107 0.273,108 0.609,109 0.772,110 0.826,111 0.846,112 0.846,113 3.693,114 0.882,115 -4.04,116 -3.99,117 -3.78,120 41.8,121 3,123 1,126 2,128 1,132 1,135 2,138 2,140 9,141 3,151 1,153 2,154 1,165 16,167 2,168 3,171 3,173 2,176 16,181 1,182 7,185 4,187 3,190 11,195 12,200 1,203 5,206 6,207 13,210 1,212 5,215 3,219 1,220 10,223 1,224 1,225 7,227 3,231 9,236 5,239 6,244 3,245 14,248 2,250 3,253 11,258 12,261 1,263 4,266 12,270 3676,271 25.023,272 25.023,273 25.023,274 25.023,275 25.023,276 22.599,277 26.932,278 14.588,279 25.508,280 20.168,281 20.168,282 20.168,283 20.168,284 20.168,285 16.375,286 29.892,287 6.925,288 20.976,289 4.333,290 2.208,291 1.169,292 0.832,293 0.702,294 0.702,295 4.366,302 1,303 1079,304 5.431,307 458.568,313 2.142,314 78.428,317 0.75,318 0.67,319 0.67,320 0.9,321 0.5,322 0.83,323 1,324 0.76,325 89,326 525,327 4.472,328 4.61,329 7.213,330 4.266,331 3.369,332 3.927,333 3.975,334 11.99,335 3.091,336 4.455,337 3.82,338 6.764,339 4.149,340 3.183,341 3.606,342 2.204,343 11.038,344 3.06,345 4.06,346 3.648,347 6.028,348 3.676,349 2.689,350 3.54,351 1.966,352 8.555,353 2.655,354 3.907,355 3.552,356 6.004,357 3.581,358 2.655,359 3.447,360 1.793,361 8.361,362 2.499,363 3.779,364 3.272,365 5.396,366 3.523,367 2.542,368 3.042,369 1.197,370 7.044,371 2.421,372 3.689,373 2.91,374 5.33,375 3.353,376 2.379,377 2.88,378 0.814,379 6.759,380 2.296,381 3.534,382 2.76,383 5.022,384 3.191,385 2.187,386 2.731,387 0.363,388 5.986,389 2.175,390 3.429,391 2.522,392 4.956,393 3.114,394 2.126,395 2.484,396 0.181,397 5.762,398 2.063,399 3.081,400 2.375,401 4.731,402 2.668,403 1.704,404 2.136,405 0.141,406 4.907,407 1.631,408 2.94,409 2.136,410 4.299,411 2.472,412 1.478,413 2.06,415 3.759,416 1.467,417 2.909,418 1.904,419 4.272,420 2.423,421 1.414,422 2.007,424 3.449,425 1.422,426 2.647,427 1.744,428 3.631,429 2.351,430 1.365,431 1.572,433 3.125,434 1.299,435 2.5,436 1.268,437 3.464,438 2,439 1,440 1.5,442 2.275,443 1,444 2.5,445 1.259,446 3.414,447 2,448 1,449 1.5,451 2.136,452 1,453 1.971,454 1.244,455 3.247,456 1.595,457 0.648,458 0.743,460 1.611,461 0.597,462 17.724,463 0.454,464 1.31,465 0.034,466 45.5,467 1.167,468 21,469 0.538,470 24.5,471 0.628,472 39.006,473 1,474 44.076,475 0.658,476 47.667,477 1.222,478 9.597,479 0.246,480 8.765,481 0.225,482 0.208,483 0.028,484 0.333,487 3,490 0.609,491 1.09,492 0.688,493 1.14,494 0.575,495 0.99,496 0.457,497 0.844,498 0.703,499 0.997,500 0.436,501 0.96,502 0.572,503 0.895,504 0.873,505 1.128,506 0.593,507 1.123,508 0.918,509 0.799,510 0.924,511 0.939,512 0.905,513 0.927,514 1.138,515 1.101,516 0.938,517 0.991,518 1.128,519 0.915,520 1.594,521 1.141,522 1.314,523 0.914,524 1.642,525 0.974,526 1.17,527 0.63,528 1.07,529 0.685,530 1.164,531 0.778,532 0.709,533 0.978,534 0.826,535 1.158,536 0.742,537 1.07,538 10,539 0.504,540 5.111,541 2.938,542 2.898,543 1.493,544 0.973,545 0.955,546 0.856,547 0.574,548 22163,549 77239,550 1.931,551 41.8,552 9,553 16,556 2,558 1,560 1.8,561 1.753,562 3.67,563 0.187,569 116.097,570 1.733,571 3.858,572 4.897,573 5.234,574 5.364,575 5.364,576 3.1,577 4.856,578 5.252,579 3.904,580 2892.56,581 9.302,582 49746.3,587 406.428,588 1.69,589 5.174,590 0.244,591 0.01,592 0.088,593 0.048,594 0.048,595 0.023,596 0.017,597 0.017,598 0.013,599 0.009,600 0.518,601 0.33,602 0.88,603 1.536,604 218.038,605 -0.04,606 -0.087,607 0.018,608 -0.043,609 -0.07,610 -0.001,611 0.361,612 0.204,613 0.151,614 0.036,615 0.294,616 0.012,617 0.162,618 -0.044,619 -0.007,620 -0.132,621 0.13,622 -0.141,623 -0.056,624 0.028,625 0.043,626 -0.001,627 -0.069,628 0.047,629 -0.002,630 -0.129,631 0.07,632 -0.036,633 0.037,634 0.023,635 -0.191,636 0.077,637 -0.249,638 0.04,639 -0.166,640 -0.079,641 -0.188,642 0.259,643 -0.096,644 0.223,645 -0.182,646 0.142,647 0.085,648 -0.122,649 0.035,650 -0.144,651 0.088,652 -0.091,653 6.393,654 6.354,655 0.462,656 50.276,657 1.028,658 1.14,659 2.806,660 7.873,661 0.653,662 3.738,663 4.078,664 4.263,665 4.454,666 4.673,667 4.635,668 4.754,669 4.927,670 5.011,671 5.03,672 8.231,673 0.644,674 543.59,675 3.738,676 5.293,677 6.12,678 6.997,679 7.847,680 8.724,681 9.586,682 10.465,683 11.333,684 12.214,685 4.5,692 3,699 9,704 3,706 12,720 67,723 18,724 2,725 41,727 69,728 28,729 12,730 3,731 9,732 5,735 3,736 3,741 4,747 1,748 1,749 20,750 8,751 1,754 6,759 4,761 2,763 6,766 3,768 28,769 11,770 2,771 11,775 3,780 1,781 5,789 3,798 1,800 1,801 1,805 4,810 1,813 3,817 3,819 3,821 39,828 2,829 2,830 1,833 2,834 1,835 1,839 3,840 7.5,843 4,845 1,847 22.25,848 12.795,849 8.5,850 3.863,851 2.399,852 1.314,853 0.938,854 9.85,855 10.046,856 3.989,857 4.511,858 4.934,859 5.347,860 5.837,861 5.904,862 6.195,863 6.544,864 6.833,865 7.018,866 0.889,867 61,868 15.822,870 7.972,871 8.382,872 26.209,874 20.893,877 2.882,878 112.417,882 306.049,883 181.547,884 39.146,886 111.58,887 44.88,889 181.547,890 417.628,891 84.026,892 26.476,893 45.844,894 104.239,895 120.636,896 65.437,897 6.763,898 306.049,899 7.76,900 306.049,901 220.693,902 156.46,905 294.278,906 168.231,909 80.079,910 116.148,911 24.466,913 350.929,914 150.725,915 181.547,918 313.808,919 43.074,920 133.839,921 36.022,922 156.46,923 306.049,924 195.606,925 181.547,927 0.591,928 0.329,929 0.164,930 0.096,931 24,932 14,933 0.145,934 10,936 1,937 4.628,938 370.869,940 18,941 191.376,945 29.823,946 12.881,947 8.127,949 195.606,950 15.856,955 2.218,957 36.022,958 683.202,959 53,964 50.393,966 2.84,968 -4.696,969 68.85,970 76.374,971 0.286,972 0.636,973 0.807,974 0.863,975 0.884,976 0.884,977 5.252,978 2.126,979 6.151,980 5.986,981 4.762,982 5.198,983 3.872,984 6.98,985 4.689,986 6.467,987 1.704,988 7.738,989 5.762,990 4.575,991 5.047,992 4.182,993 8.097,994 4.404,995 7.779,996 1.478,997 9.435,998 4.907,999 6.418,1000 7.254,1001 5.828,1002 11.123,1003 6.246,1004 9.12,1005 1.414,1006 11.198,1007 3.759,1008 6.995,1009 7.808,1010 6.945,1011 13.039,1012 6.714,1013 10.49,1014 1.365,1015 13.003,1016 3.449,1017 8.391,1018 9.571,1019 8.355,1020 15.674,1021 8.09,1022 11.879,1023 1,1024 14.839,1025 3.125,1026 9.298,1027 10.448,1028 9.678,1029 17.908,1030 8.894,1031 13.284,1032 1,1033 16.699,1034 2.275,1035 10.542,1036 12.024,1037 11.059,1038 20.424,1039 10.097,1040 3.369,1041 0.648,1042 18.577,1043 2.136,1044 11.6,1045 13.075,1046 12.427,1047 22.789,1048 11.06,1049 3.183,1050 11.99,1051 20.469,1052 1.611,1053 12.795,1054 14.553,1055 13.806,1056 25.267,1057 12.198,1058 2.689,1059 11.038,1060 22.374,1061 3.927,1062 13.923,1063 15.708,1064 15.183,1065 27.688,1066 13.238,1067 2.655,1068 8.555,1069 24.288,1070 3.606,1071 15.106,1072 17.13,1073 16.562,1074 30.155,1075 14.354,1076 2.542,1077 8.361,1078 26.211,1079 3.54,1080 16.267,1081 18.351,1082 17.942,1083 32.6,1084 15.432,1085 2.379,1086 7.044,1087 28.14,1088 3.447,1089 17.452,1090 19.74,1091 19.322,1092 35.065,1093 16.544,1094 2.187,1095 6.759,1096 30.075,1097 3.042,1098 18.63,1099 21.005,1100 20.702,1101 37.523,1102 17.641,1103 22032,1104 41417,1105 25.66,1106 43.762,1107 63.072,1108 64.018,1109 63.855,1110 61.71,1111 61.425,1112 76.725,1113 25.267,1114 178.308,1115 59.253,1116 5.449,1117 6.61,1118 7.015,1119 5.344,1120 5.369,1121 6.927,1122 5.723,1123 19.63,1124 5.091,1125 26.935,1126 1.538,1127 1.561,1128 1.557,1129 1.505,1130 1.498,1131 1.871,1132 0.616,1133 4.349,1134 1.445,1135 4.016,1136 4.046,1137 3.968,1138 3.934,1139 8.516,1140 3.935,1141 3.906,1142 3.935,1143 3.834,1144 3.843,1145 7.999,1146 3.836,1147 3.842,1148 3.882,1149 3.787,1150 3.688,1151 7.999,1152 3.701,1153 3.779,1154 3.813,1155 3.726,1156 3.642,1157 7.44,1158 3.654,1159 3.513,1160 3.547,1161 3.475,1162 3.266,1163 7.43,1164 3.295,1165 3.47,1166 3.52,1167 3.391,1168 3.188,1169 7.423,1170 3.231,1171 3.394,1172 3.417,1173 3.301,1174 3.152,1175 7.416,1176 3.188,1177 3.201,1178 3.258,1179 3.082,1180 3.051,1181 4.794,1182 3.052,1183 0.109,1184 0.112,1185 0.176,1186 0.104,1187 0.082,1188 4.472,1189 0.096,1190 4.61,1191 0.097,1192 7.213,1193 0.292,1194 4.266,1195 0.075,1196 3.369,1197 3.927,1198 3.975,1199 11.99,1200 3.091,1201 1.966,1202 1.941,1203 2.068,1204 2.066,1205 1.25,1206 2.063,1207 1.904,1208 1.876,1209 2.033,1210 1.993,1211 1.191,1212 2.007,1213 1.782,1214 1.74,1215 1.98,1216 1.968,1217 1.133,1218 1.966,1219 1.733,1220 1.697,1221 1.857,1222 1.889,1223 0.982,1224 1.883,1225 1.412,1226 1.363,1227 1.612,1228 1.679,1229 0.74,1230 1.658,1231 1.311,1232 1.278,1233 1.53,1234 1.629,1235 0.619,1236 1.566,1237 1.269,1238 1.24,1239 1.472,1240 1.547,1241 0.593,1242 1.508,1243 1.195,1244 1.141,1245 1.423,1246 1.401,1247 0.557,1248 1.434,1249 4.419,1251 5.753,1253 7.263,1255 8.855,1257 10.492,1259 4.594,1261 39.17,1265 -0.75,1266 4.455,1267 5.152,1270 -2.686,1271 1.016,1272 -5.143,1273 43.163,1274 116.097,1275 258.487,1276 328.124,1277 350.654,1278 359.408,1279 359.408,1280 154.499,1281 7.647,1282 106.5,1283 106.5,1284 18,1285 12.752,1286 4.248,1287 3.7,1288 83.322,1289 180,1290 230,1291 0.209,1292 266.006,1293 497.56,1294 640.814,1295 21407,1296 4.5,1297 28.742,1298 0.737,1299 0.552,1300 26.242,1301 21.542,1302 18.362,1303 0.448,1304 0.294,1305 11.829,1306 17.466,1307 11.509,1308 9.594,1309 17.151,1310 12.055,1311 17.606,1312 0.304,1313 0.159,1314 15.695,1315 9.228,1316 13.217,1317 0.189,1318 0.083,1319 12.065,1320 5.818,1321 9.996,1322 0.118,1323 0.044,1324 9.615,1325 3.75,1326 8.427,1327 0.079,1328 0.024,1329 7.761,1330 2.516,1331 0.328,1332 116.994,1333 0.197,1334 35.166,1335 0.575,1336 198,1337 853.322,1338 234.493,1339 730.319,1340 935.19,1341 672,1342 227,1343 635.746,1344 257.566,1345 622.017,1346 924.75,1347 580,1348 6.143}
{0 CHEMBL432959,1 1.571,2 21.448,3 4.961,4 24.611,5 241.99,6 6.831,7 0.167,8 4.977,9 5.101,10 4.441,11 4.475,12 6.042,13 3.604,14 5.576,15 5.755,16 4.858,17 4.92,18 6.643,19 3.979,20 5.946,21 6.156,22 4.98,23 5.137,24 6.982,25 4.108,26 6.102,27 6.34,28 5.018,29 5.177,30 7.162,31 4.095,32 6.093,33 6.317,34 5.059,35 5.164,36 7.353,37 4.083,38 6.098,39 6.325,40 5.069,41 5.236,42 7.188,43 4.051,44 6.194,45 6.429,46 5.132,47 5.289,48 7.259,49 3.991,50 6.285,51 6.525,52 5.178,53 5.33,54 7.466,55 3.844,56 0.236,57 1.979,58 31.143,59 13.535,60 36.213,61 5.941,62 0.867,63 3.3,64 59.467,65 23.29,66 139.897,67 10.295,68 1.51,69 4.357,70 89.696,71 32.052,72 222.415,73 12.922,74 1.824,75 4.806,76 107.705,77 34.519,78 279.694,79 13.497,80 2.91,81 4.667,82 108.06,83 33.04,84 475.763,85 12.767,86 2.164,87 4.973,88 106.208,89 36.691,90 336.101,91 12.644,92 1.769,93 5.19,94 116.672,95 38.03,96 308.653,97 12.582,98 2.964,99 5.353,100 130.369,101 39.998,102 512.811,103 12.223,104 1,105 324,106 106,107 0.216,108 0.492,109 0.698,110 0.827,111 0.857,112 0.867,113 4.221,114 0.991,115 0.06,116 -0.09,117 -0.29,120 36,121 7,122 9,123 4,124 1,126 1,128 6,129 1,130 1,140 9,141 3,153 7,158 1,159 1,160 1,162 2,164 2,165 28,166 2,167 2,168 7,171 6,173 7,176 31,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 26,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 16,206 8,207 11,208 1,210 6,211 2,212 10,213 1,215 19,217 1,219 3,220 13,221 1,222 1,223 7,224 4,225 13,226 1,227 27,228 1,229 1,230 1,231 25,232 1,234 1,236 7,237 2,239 21,240 3,243 1,244 7,245 20,246 1,247 1,248 5,249 2,250 9,251 1,252 1,253 25,254 2,255 1,256 1,257 1,258 19,259 2,260 1,261 8,262 3,263 11,264 2,265 1,266 37,267 1,268 2,270 14245,271 43.235,272 43.235,273 43.235,274 43.235,275 43.235,276 40.783,277 42.089,278 24.77,279 43.694,280 35.408,281 35.408,282 35.408,283 35.408,284 35.408,285 31.462,286 46.386,287 11.683,288 36.149,289 5.516,290 3.513,291 2.015,292 1.079,293 0.862,294 0.789,295 4.909,303 3048,304 7.842,305 164.698,306 430.44,307 1029.18,310 695.232,313 3.144,314 119.809,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 147.5,326 1437,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.889,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.165,340 3.203,341 3.847,342 2.341,343 12.336,344 3.085,345 4.244,346 3.844,347 6.781,348 4.139,349 3.173,350 3.454,351 2.022,352 11.03,353 3.042,354 4.19,355 3.757,356 6.399,357 3.973,358 2.989,359 3.305,360 1.993,361 9.697,362 2.931,363 4.122,364 3.668,365 6.223,366 3.871,367 2.872,368 3.281,369 1.956,370 9.154,371 2.87,372 3.994,373 3.612,374 6.143,375 3.827,376 2.841,377 3.194,378 1.928,379 9.054,380 2.796,381 3.886,382 3.585,383 6.099,384 3.733,385 2.759,386 3.146,387 1.905,388 8.795,389 2.698,390 3.806,391 3.527,392 6.063,393 3.586,394 2.63,395 3.016,396 0.632,397 8.592,398 2.568,399 3.76,400 3.315,401 5.799,402 3.551,403 2.562,404 2.909,405 0.382,406 7.733,407 2.476,408 3.603,409 2.907,410 5.64,411 3.389,412 2.404,413 2.69,414 0.265,415 6.914,416 2.31,417 3.527,418 2.77,419 5.325,420 3.186,421 2.179,422 2.644,423 0.159,424 6.567,425 2.166,426 3.452,427 2.642,428 5.301,429 3.072,430 2.068,431 2.606,432 0.107,433 6.093,434 2.055,435 3.267,436 2.554,437 4.69,438 3.05,439 2.056,440 2.556,441 0.014,442 5.159,443 2.019,444 3.242,445 2.441,446 4.66,447 2.925,448 1.958,449 2.273,451 5.09,452 1.888,453 3.004,454 2.316,455 4.652,456 2.818,457 1.82,458 2.005,460 4.607,461 1.816,462 31.233,463 0.466,464 2.333,465 0.035,466 65,467 0.97,468 22.5,469 0.336,470 42.5,471 0.634,472 109.916,473 1.641,474 77.967,475 0.573,476 74.16,477 1.107,478 11.489,479 0.171,480 20.108,481 0.3,482 0.221,483 0.032,484 0.37,490 0.841,491 1.383,492 0.891,493 1.24,494 0.654,495 0.915,496 0.556,497 1.261,498 0.838,499 1.162,500 0.453,501 0.981,502 0.979,503 1.131,504 1.065,505 1.148,506 0.892,507 1.068,508 1.254,509 1.139,510 1.041,511 1.081,512 1.067,513 0.956,514 1.17,515 1.006,516 1.058,517 0.947,518 1.104,519 0.959,520 1.002,521 1.12,522 1.02,523 1.122,524 0.981,525 0.92,526 1.06,527 1.119,528 1.011,529 1.088,530 0.951,531 1.017,532 1.055,533 0.899,534 1.009,535 0.879,536 1.065,537 0.966,538 18,539 1.013,540 10.222,541 6.285,542 4.917,543 2.994,544 2.318,545 1.87,546 1.615,547 1.188,548 104888,549 270839,550 1.968,551 50.7,552 23,553 17,554 1,556 8,557 4,558 14,559 2,560 1.92,561 1.779,562 4.298,563 3.965,569 213.722,570 1.571,571 3.574,572 5.073,573 6.008,574 6.225,575 6.299,576 3.806,577 5.618,578 6.036,579 4.546,580 10050.2,581 10.86,582 258893,587 963.895,588 1.713,589 5.952,590 0.25,591 0.008,592 0.098,593 0.057,594 0.044,595 0.026,596 0.019,597 0.015,598 0.012,599 0.009,600 0.538,601 0.17,602 0.38,603 2.043,604 438.62,605 -0.129,606 -0.047,607 0.02,608 0.002,609 -0.06,610 0.03,611 0.189,612 -0.059,613 0.094,614 -0.019,615 0.136,616 -0.031,617 0.006,618 0.009,619 -0.083,620 -0.062,621 -0.054,622 -0.109,623 -0.121,624 -0.026,625 -0.026,626 -0.017,627 -0.072,628 0.007,629 0.085,630 0.06,631 -0.02,632 0.062,633 0.114,634 -0.019,635 0.044,636 0.037,637 -0.025,638 -0.015,639 0.001,640 0.036,641 -0.062,642 -0.067,643 -0.018,644 -0.072,645 -0.009,646 -0.047,647 0.051,648 0.048,649 0.008,650 0.053,651 0.073,652 0.015,653 3.012,654 7.519,655 0.403,656 123.225,657 1.003,658 1.133,659 -1.295,660 1.677,661 0.63,662 4.29,663 4.673,664 4.942,665 5.182,666 5.394,667 5.509,668 5.642,669 5.781,670 5.875,671 5.989,672 12.425,673 0.651,674 929.05,675 4.29,676 5.878,677 6.742,678 7.648,679 8.539,680 9.453,681 10.359,682 11.281,683 12.198,684 13.129,685 4.4,686 1,692 5,699 9,704 3,706 12,720 136,721 1,723 19,724 2,725 72,727 141,728 49,729 12,730 3,731 9,735 6,736 9,741 7,742 1,744 1,745 6,746 3,748 15,749 19,750 30,751 5,754 7,759 7,763 7,768 69,769 17,770 8,771 18,775 6,780 0.667,781 11,786 1,787 1,788 2,789 4,792 2,800 4,801 1,802 2,807 1,811 2,813 4,817 7,821 67,822 1,827 2,828 10,829 4,830 2,832 1,833 11,834 1,835 2,840 8.1,842 2,843 7,844 2,847 37.667,848 25.433,849 14.431,850 8.615,851 1.608,852 1.171,853 0.959,854 17.204,855 11.018,856 4.454,857 4.934,858 5.298,859 5.668,860 6.055,861 6.135,862 6.422,863 6.67,864 6.88,865 7.119,866 1,867 111,868 25.571,870 11.635,871 7.98,872 47.674,874 41.026,877 2.48,878 166.167,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.598,928 0.344,929 0.175,930 0.094,931 47,932 27,933 0.149,934 21,935 3,936 1.185,937 6.504,938 813.902,939 0.222,940 26,941 392.428,945 52.22,946 22.073,947 12.181,949 150.083,950 18.52,955 3.313,957 60.694,958 547.756,959 85,964 91.79,968 -5.974,969 136.374,970 154.109,971 0.222,972 0.504,973 0.716,974 0.848,975 0.878,976 0.889,977 5.771,978 2.63,979 6.79,980 8.795,981 5.361,982 5.624,983 3.946,984 7.689,985 5.319,986 6.966,987 2.562,988 8.42,989 8.592,990 5.231,991 5.527,992 3.633,993 8.967,994 5.167,995 8.285,996 2.404,997 10.165,998 7.733,999 7.088,1000 7.577,1001 5.157,1002 12.097,1003 6.996,1004 9.633,1005 2.179,1006 11.983,1007 6.914,1008 7.763,1009 8.215,1010 5.443,1011 14.273,1012 7.648,1013 11.016,1014 2.068,1015 13.851,1016 6.567,1017 9.18,1018 9.835,1019 6.551,1020 17.061,1021 9.04,1022 12.421,1023 2.056,1024 15.758,1025 6.093,1026 10.199,1027 10.781,1028 7.097,1029 19.588,1030 10.038,1031 13.847,1032 1.958,1033 17.696,1034 5.159,1035 11.494,1036 12.251,1037 8.039,1038 22.316,1039 11.31,1040 3.847,1041 1.82,1042 19.66,1043 5.09,1044 12.668,1045 13.349,1046 8.718,1047 24.979,1048 12.463,1049 3.203,1050 15.757,1051 21.645,1052 4.607,1053 13.943,1054 14.757,1055 9.589,1056 27.708,1057 13.719,1058 3.173,1059 12.336,1060 23.648,1061 3.889,1062 15.19,1063 15.942,1064 10.339,1065 30.423,1066 14.948,1067 2.989,1068 11.03,1069 25.666,1070 3.847,1071 16.477,1072 17.319,1073 11.182,1074 33.162,1075 16.217,1076 2.872,1077 9.697,1078 27.696,1079 3.454,1080 17.763,1081 18.559,1082 11.971,1083 35.898,1084 17.486,1085 2.841,1086 9.154,1087 29.737,1088 3.305,1089 19.067,1090 19.922,1091 12.805,1092 38.644,1093 18.772,1094 2.759,1095 9.054,1096 31.787,1097 3.281,1098 20.375,1099 21.198,1100 13.616,1101 41.391,1102 20.063,1103 100613,1104 162008,1105 45.369,1106 85.739,1107 112.078,1108 116.344,1109 115.777,1110 110.494,1111 110.362,1112 126.263,1113 32.089,1114 334.471,1115 108.245,1116 5.847,1117 5.976,1118 7.957,1119 5.96,1120 5.847,1121 6.889,1122 3.925,1123 24.986,1124 5.774,1125 50.506,1126 1.557,1127 1.616,1128 1.608,1129 1.535,1130 1.533,1131 1.754,1132 0.446,1133 4.645,1134 1.503,1135 4.11,1136 4.142,1137 4.029,1138 4.03,1139 7.479,1140 3.921,1141 4.01,1142 4.04,1143 3.943,1144 3.956,1145 7.472,1146 3.837,1147 3.942,1148 3.984,1149 3.868,1150 3.783,1151 7.439,1152 3.649,1153 3.862,1154 3.909,1155 3.783,1156 3.728,1157 7.429,1158 3.473,1159 3.79,1160 3.83,1161 3.704,1162 3.682,1163 7.426,1164 3.293,1165 3.768,1166 3.814,1167 3.679,1168 3.605,1169 7.423,1170 3.068,1171 3.693,1172 3.745,1173 3.591,1174 3.563,1175 7.421,1176 2.932,1177 3.656,1178 3.699,1179 3.545,1180 3.531,1181 6.352,1182 2.771,1183 0.067,1184 0.055,1185 0.113,1186 0.067,1187 0.053,1188 4.847,1189 0.054,1190 3.976,1191 0.033,1192 8.155,1193 0.219,1194 4.827,1195 0.052,1196 3.847,1197 3.889,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 2.001,1208 1.979,1209 2.107,1210 2.064,1211 1.315,1212 2.005,1213 1.817,1214 1.775,1215 2.003,1216 2.018,1217 1.277,1218 1.892,1219 1.805,1220 1.767,1221 1.961,1222 1.962,1223 1.24,1224 1.772,1225 1.755,1226 1.709,1227 1.957,1228 1.912,1229 1.217,1230 1.588,1231 1.698,1232 1.648,1233 1.913,1234 1.887,1235 1.205,1236 1.503,1237 1.656,1238 1.612,1239 1.863,1240 1.829,1241 1.142,1242 1.389,1243 1.613,1244 1.572,1245 1.814,1246 1.822,1247 1.05,1248 1.224,1249 4.977,1251 6.358,1252 3.045,1253 7.926,1254 5.416,1255 9.589,1256 7.564,1257 11.316,1259 13.594,1263 5.683,1264 18.364,1265 2.733,1266 10.988,1267 13.623,1269 -0.701,1270 -6.896,1271 1.509,1272 -0.38,1273 33.733,1274 213.722,1275 486.117,1276 689.869,1277 817.101,1278 846.611,1279 856.611,1280 308.635,1281 9.41,1282 255.79,1283 255.79,1284 32,1285 13.634,1286 4.322,1287 3.807,1288 127.317,1289 499,1290 533,1291 0.119,1292 492.566,1293 924.55,1294 1193.62,1295 199297,1297 48.957,1298 0.731,1299 0.594,1300 48.957,1301 39.789,1302 31.597,1303 0.439,1304 0.33,1305 23.529,1306 30.437,1307 22.774,1308 18.836,1309 31.597,1310 23.79,1311 30.585,1312 0.289,1313 0.192,1314 30.585,1315 20.402,1316 24.399,1317 0.176,1318 0.106,1319 24.399,1320 14.757,1321 19.607,1322 0.111,1323 0.059,1324 19.607,1325 10.448,1326 15.257,1327 0.07,1328 0.033,1329 15.257,1330 7.156,1331 0.19,1332 198.241,1333 0.148,1334 53.912,1335 0.315,1336 356,1337 1034.57,1338 395.816,1339 973.86,1340 1278.89,1341 900,1342 423,1343 891.218,1344 460.608,1345 893.886,1346 1314.36,1347 841,1348 4.319}
{0 CHEMBL432978,1 1.583,2 18.776,3 3.323,4 11.04,5 205.961,6 6.552,8 4.884,9 5.016,10 4.3,11 4.331,12 5.921,13 3.604,14 5.504,15 5.699,16 4.72,17 4.779,18 6.547,19 3.979,20 5.878,21 6.101,22 4.853,23 5.003,24 6.9,25 4.108,26 6.033,27 6.278,28 4.914,29 5.052,30 7.091,31 4.095,32 6.016,33 6.244,34 4.963,35 5.042,36 7.295,37 4.083,38 6.032,39 6.262,40 4.971,41 5.132,42 7.125,43 4.051,44 6.141,45 6.38,46 5.029,47 5.2,48 7.202,49 3.991,50 6.239,51 6.488,52 5.056,53 5.229,54 7.414,55 3.844,56 0.248,57 1.792,58 30.087,59 12.252,60 34.467,61 5.941,62 0.904,63 2.943,64 57.539,65 20.862,66 140.076,67 10.295,68 1.575,69 3.801,70 85.746,71 28.209,72 221.415,73 12.922,74 1.895,75 4.133,76 101.4,77 29.658,78 273.949,79 13.497,80 2.974,81 4.034,82 101.436,83 28.523,84 468.809,85 12.767,86 2.267,87 4.354,88 100.864,89 32.416,90 332.342,91 12.644,92 1.865,93 4.589,94 111.555,95 33.984,96 307.139,97 12.582,98 3.069,99 4.673,100 125.165,101 35.43,102 508.791,103 12.223,104 1,105 381,106 90,107 0.224,108 0.437,109 0.676,110 0.832,111 0.86,112 0.871,113 4.08,114 1.041,115 1.1,116 0.89,117 0.59,120 32,121 8,122 11,123 4,124 1,126 1,128 6,129 1,130 1,153 7,158 1,159 1,160 1,162 2,164 2,165 17,166 2,167 2,168 7,171 6,173 7,176 15,177 1,179 1,181 1,182 15,184 1,185 8,186 3,187 11,188 1,189 1,190 10,193 1,195 21,196 1,197 1,198 1,199 1,200 5,201 2,202 1,203 4,206 8,207 11,208 1,210 6,211 2,212 9,213 1,215 9,217 1,219 3,220 11,221 1,222 1,223 7,224 4,225 12,226 1,227 20,228 1,229 1,230 1,231 22,232 1,234 1,236 6,237 2,239 16,240 3,243 1,244 7,245 16,246 1,247 1,248 5,249 2,250 8,251 1,252 1,253 18,254 2,255 1,256 1,257 1,258 15,259 2,260 1,261 8,262 3,263 9,264 2,265 1,266 28,267 1,268 2,270 9316,271 36.865,272 36.865,273 36.865,274 36.865,275 36.865,276 35.824,277 38.451,278 21.2,279 37.324,280 29.936,281 29.936,282 29.936,283 29.936,284 29.936,285 28.017,286 42.998,287 9.934,288 30.677,289 5.383,290 3.872,291 2.185,292 1.078,293 0.88,294 0.8,295 4.753,303 2263,304 7.874,305 140.95,306 371.96,307 402.657,310 596.62,313 3.04,314 115.799,317 0.25,318 0.17,319 0.33,320 0.6,321 1,322 0.17,324 0.36,325 129.5,326 1089,327 4.847,328 3.976,329 8.155,330 4.827,331 3.847,332 3.847,333 2.341,334 15.757,335 3.774,336 4.302,337 3.96,338 7.324,339 4.164,340 3.203,341 3.454,342 2.341,343 12.336,344 3.085,345 4.191,346 3.844,347 6.781,348 4.139,349 3.173,350 3.282,351 2.022,352 11.03,353 3.042,354 4.122,355 3.757,356 6.399,357 3.973,358 2.989,359 3.196,360 1.993,361 9.697,362 2.931,363 3.994,364 3.668,365 6.223,366 3.827,367 2.841,368 3.146,369 1.956,370 9.149,371 2.796,372 3.882,373 3.612,374 6.098,375 3.732,376 2.757,377 3.017,378 1.928,379 8.792,380 2.698,381 3.764,382 3.585,383 6.063,384 3.58,385 2.621,386 2.909,387 1.905,388 8.591,389 2.567,390 3.619,391 3.527,392 5.799,393 3.533,394 2.561,395 2.69,396 0.632,397 7.733,398 2.374,399 3.527,400 3.315,401 5.639,402 3.186,403 2.179,404 2.626,405 0.382,406 6.574,407 2.166,408 3.452,409 2.757,410 5.302,411 3.072,412 2.068,413 2.604,414 0.265,415 6.094,416 2.055,417 3.247,418 2.622,419 4.69,420 3.051,421 2.056,422 2.274,423 0.159,424 5.159,425 2.021,426 3.004,427 2.442,428 4.66,429 2.931,430 1.963,431 2.005,432 0.107,433 5.09,434 1.893,435 2.973,436 2.316,437 4.652,438 2.812,439 1.8,440 1.973,441 0.014,442 4.606,443 1.812,444 2.769,445 2.23,446 4.633,447 2.695,448 1.701,449 1.735,451 4.436,452 1.686,453 2.7,454 2.154,455 4.556,456 2.579,457 1.567,458 1.699,460 3.939,461 1.577,462 26.733,463 0.461,464 2.145,465 0.037,466 47.5,467 0.819,468 10.5,469 0.181,470 37,471 0.638,472 101.816,473 1.755,474 71.067,475 0.569,476 53.027,477 0.914,478 7.634,479 0.132,480 19.479,481 0.336,482 0.277,483 0.037,484 0.377,490 0.853,491 1.544,492 0.939,493 1.382,494 0.656,495 0.915,496 0.548,497 1.346,498 0.837,499 1.231,500 0.438,501 0.981,502 0.961,503 1.161,504 1.041,505 1.17,506 0.871,507 1.068,508 1.239,509 1.166,510 1.012,511 1.089,512 1.047,513 0.956,514 1.172,515 1.062,516 1.06,517 0.995,518 1.099,519 0.959,520 1.019,521 1.139,522 1.036,523 1.142,524 0.976,525 0.92,526 1.03,527 1.176,528 1.034,529 1.148,530 0.944,531 1.017,532 1.017,533 0.913,534 1.032,535 0.903,536 1.016,537 0.966,538 16.5,539 0.867,540 9.111,541 6.097,542 4.704,543 2.653,544 2.2,545 1.742,546 1.46,547 1.007,548 67009,549 171702,550 1.9,551 53.6,552 30,553 8,554 1,556 8,557 4,558 14,559 2,560 1.888,561 1.698,562 4.138,563 4.171,569 197.854,570 1.583,571 3.094,572 4.781,573 5.887,574 6.085,575 6.165,576 3.598,577 5.569,578 5.831,579 4.391,580 7257.98,581 10.437,582 167569,587 870.723,588 1.745,589 5.725,590 0.27,591 0.009,592 0.104,593 0.064,594 0.047,595 0.026,596 0.021,597 0.016,598 0.013,599 0.009,600 0.579,601 0.17,602 0.5,603 2.448,604 365.249,605 -0.134,606 -0.094,607 0.014,608 -0.027,609 -0.055,610 0.03,611 0.193,612 -0.092,613 0.114,614 -0.033,615 0.145,616 -0.031,617 0.011,618 0.005,619 -0.049,620 -0.054,621 -0.043,622 -0.109,623 -0.12,624 -0.033,625 0.006,626 -0.006,627 -0.064,628 0.007,629 0.079,630 0.044,631 -0.012,632 0.05,633 0.116,634 -0.019,635 0.024,636 0.048,637 -0.034,638 -0.004,639 -0.007,640 0.036,641 -0.07,642 -0.091,643 -0.044,644 -0.099,645 -0.02,646 -0.047,647 0.038,648 0.025,649 -0.022,650 0.024,651 0.072,652 0.015,653 3.007,654 7.276,655 0.259,656 93.581,657 1.004,658 1.142,659 -2.327,660 5.417,661 0.608,662 4.127,663 4.511,664 4.771,665 5.011,666 5.209,667 5.347,668 5.468,669 5.595,670 5.642,671 5.7,672 11.223,673 0.651,674 818.94,675 4.127,676 5.714,677 6.575,678 7.487,679 8.382,680 9.304,681 10.216,682 11.147,683 12.072,684 13.011,685 4.8,686 1,692 5,720 125,721 1,723 7,725 61,727 128,728 40,735 4,736 7,741 8,742 1,744 1,745 6,746 3,748 17,749 7,750 33,751 5,754 7,759 7,763 7,768 67,769 17,770 8,771 18,775 6,780 0.5,781 11,786 1,787 1,788 2,789 2,792 2,800 4,801 1,802 2,807 1,811 2,813 2,817 8,821 58,822 1,827 2,828 12,829 4,830 2,832 1,833 11,834 1,835 2,840 8.8,842 2,843 7,844 2,847 34.167,848 23.683,849 12.653,850 8.261,851 0.166,852 1.019,853 0.959,854 16.833,855 9.1,856 4.234,857 4.654,858 4.913,859 5.17,860 5.407,861 5.472,862 5.602,863 5.762,864 5.765,865 5.846,866 1,867 95,868 22.237,870 10.09,871 8.055,872 41.326,874 35.418,877 2.555,878 148.167,882 235.422,883 155.426,884 57.157,886 100.58,889 133.498,890 350.2,891 64.717,892 8.825,893 38.434,894 85.286,895 110.541,896 39.697,897 6.763,898 223.651,900 235.422,901 175.536,902 119.738,905 188.338,906 124.771,909 71.254,910 103.643,911 11.424,913 247.193,914 146.008,915 157.84,918 235.422,919 41.545,920 103.588,921 18.011,922 162.493,923 235.422,924 150.083,925 157.84,927 0.596,928 0.34,929 0.172,930 0.092,931 38,932 24,933 0.164,934 21,935 3,936 1.333,937 5.778,938 656.7,939 0.4,940 14,941 331.763,945 48.073,946 20.309,947 11.418,949 150.083,957 60.694,958 547.756,959 68,964 90.688,968 -5.874,969 125.49,970 142.694,971 0.227,972 0.444,973 0.686,974 0.845,975 0.874,976 0.885,977 5.572,978 2.561,979 6.637,980 8.591,981 5.198,982 5.342,983 3.946,984 7.555,985 5.149,986 6.758,987 2.179,988 8.283,989 7.733,990 5.13,991 5.352,992 3.633,993 8.889,994 5.059,995 8.083,996 2.068,997 10.044,998 6.574,999 6.948,1000 7.198,1001 5.157,1002 12.025,1003 6.842,1004 9.436,1005 2.056,1006 11.878,1007 6.094,1008 7.674,1009 7.966,1010 5.443,1011 14.233,1012 7.548,1013 10.825,1014 1.963,1015 13.763,1016 5.159,1017 9.076,1018 9.384,1019 6.551,1020 17.03,1021 8.919,1022 12.239,1023 1.8,1024 15.684,1025 5.09,1026 10.13,1027 10.449,1028 7.097,1029 19.572,1030 9.956,1031 13.674,1032 1.701,1033 17.635,1034 4.606,1035 11.424,1036 11.746,1037 8.039,1038 22.305,1039 11.226,1040 3.847,1041 1.567,1042 19.611,1043 4.436,1044 12.619,1045 12.935,1046 8.718,1047 24.972,1048 12.404,1049 3.203,1050 15.757,1051 21.605,1052 3.939,1053 13.9,1054 14.207,1055 9.589,1056 27.704,1057 13.665,1058 3.173,1059 12.336,1060 23.616,1061 3.847,1062 15.159,1063 15.451,1064 10.339,1065 30.421,1066 14.908,1067 2.989,1068 11.03,1069 25.64,1070 3.454,1071 16.451,1072 16.728,1073 11.182,1074 33.16,1075 16.183,1076 2.841,1077 9.697,1078 27.676,1079 3.282,1080 17.744,1081 18.002,1082 11.971,1083 35.897,1084 17.46,1085 2.757,1086 9.149,1087 29.722,1088 3.196,1089 19.051,1090 19.291,1091 12.805,1092 38.644,1093 18.752,1094 2.621,1095 8.792,1096 31.775,1097 3.146,1098 20.364,1099 20.585,1100 13.616,1101 41.39,1102 20.048,1103 66086,1104 106331,1105 37.221,1106 75.978,1107 94.55,1108 99.118,1109 99.526,1110 93.346,1111 93.22,1112 100.594,1113 32.089,1114 284.855,1115 91.102,1116 5.847,1117 5.976,1118 8.064,1119 5.959,1120 5.847,1121 5.847,1122 3.925,1123 24.986,1124 5.774,1125 47.446,1126 1.55,1127 1.625,1128 1.632,1129 1.53,1130 1.528,1131 1.649,1132 0.526,1133 4.67,1134 1.493,1135 4.099,1136 4.131,1137 4.015,1138 4.015,1139 7.478,1140 3.921,1141 3.959,1142 4.006,1143 3.879,1144 3.794,1145 7.472,1146 3.837,1147 3.861,1148 3.909,1149 3.782,1150 3.687,1151 7.439,1152 3.649,1153 3.781,1154 3.832,1155 3.688,1156 3.657,1157 7.429,1158 3.473,1159 3.743,1160 3.802,1161 3.618,1162 3.595,1163 7.426,1164 3.293,1165 3.688,1166 3.743,1167 3.575,1168 3.541,1169 7.423,1170 3.068,1171 3.654,1172 3.699,1173 3.521,1174 3.484,1175 7.421,1176 2.932,1177 3.563,1178 3.611,1179 3.431,1180 3.459,1181 6.352,1182 2.771,1183 0.079,1184 0.065,1185 0.134,1186 0.079,1187 0.063,1188 4.847,1189 0.063,1190 3.976,1191 0.038,1192 8.155,1193 0.258,1194 4.827,1195 0.062,1196 3.847,1197 3.847,1198 2.341,1199 15.757,1200 3.774,1201 2.047,1202 2.014,1203 2.201,1204 2.15,1205 1.67,1206 2.052,1207 1.817,1208 1.77,1209 2.019,1210 2.019,1211 1.361,1212 2.005,1213 1.779,1214 1.727,1215 2.003,1216 1.965,1217 1.277,1218 1.892,1219 1.752,1220 1.703,1221 1.959,1222 1.934,1223 1.24,1224 1.772,1225 1.697,1226 1.645,1227 1.913,1228 1.889,1229 1.218,1230 1.588,1231 1.629,1232 1.576,1233 1.864,1234 1.828,1235 1.205,1236 1.503,1237 1.613,1238 1.572,1239 1.814,1240 1.816,1241 1.058,1242 1.389,1243 1.525,1244 1.46,1245 1.784,1246 1.729,1247 1.05,1248 1.224,1249 4.812,1251 6.196,1252 3.045,1253 7.767,1254 5.416,1255 9.44,1256 7.564,1257 11.181,1259 15.724,1263 5.652,1264 18.249,1265 5.291,1266 10.898,1267 13.354,1269 -0.61,1270 -6.445,1271 1.513,1272 -0.273,1273 33.733,1274 197.854,1275 386.737,1276 597.651,1277 735.929,1278 760.684,1279 770.684,1280 339.897,1281 8.934,1282 255.79,1283 255.79,1284 20,1285 13.51,1286 3,1287 3,1288 132.978,1289 393,1290 392,1291 0.16,1292 438.586,1293 831.21,1294 1061.91,1295 118500,1297 43.275,1298 0.746,1299 0.612,1300 43.275,1301 35.507,1302 27.113,1303 0.444,1304 0.347,1305 20.901,1306 25.953,1307 20.185,1308 16.765,1309 27.113,1310 21.161,1311 26.324,1312 0.292,1313 0.203,1314 26.324,1315 18.296,1316 20.424,1317 0.175,1318 0.112,1319 20.424,1320 13.071,1321 16.26,1322 0.109,1323 0.062,1324 16.26,1325 9.246,1326 12.34,1327 0.068,1328 0.034,1329 12.34,1330 6.232,1331 0.256,1332 171.337,1333 0.164,1334 48.177,1335 0.425,1336 302,1337 914.575,1338 341.816,1339 847.604,1340 1096.32,1341 780,1342 358,1343 751.218,1344 395.608,1345 746.575,1346 1100.96,1347 701,1348 6.42}
{0 CHEMBL433799,1 1.767,2 18.259,3 3.69,4 13.615,5 190.724,6 7.722,7 0.214,8 4.69,9 4.801,10 4.328,11 4.163,12 5.831,13 4.145,14 5.274,15 5.441,16 4.699,17 4.548,18 6.653,19 4.514,20 5.603,21 5.802,22 4.788,23 4.709,24 6.975,25 4.653,26 5.684,27 5.904,28 4.838,29 4.698,30 6.991,31 4.672,32 5.669,33 5.849,34 4.894,35 4.71,36 7.163,37 4.715,38 5.709,39 5.898,40 4.967,41 4.804,42 7.156,43 4.797,44 5.809,45 5.995,46 5.055,47 4.853,48 7.293,49 4.852,50 5.855,51 6.056,52 4.995,53 4.855,54 7.357,55 4.843,56 0.319,57 1.566,58 23.221,59 9.718,60 56.558,61 11.97,62 1.309,63 2.591,64 43.408,65 16.102,66 198.318,67 20.945,68 2.212,69 2.983,70 68.234,71 20.712,72 338.569,73 27.174,74 2.123,75 3.117,76 75.992,77 20.529,78 351.441,79 27.803,80 2.772,81 3.26,82 73.267,83 19.504,84 429.196,85 24.045,86 2.365,87 3.54,88 74.338,89 22.72,90 391.743,91 28.472,92 2.808,93 3.91,94 81.747,95 24.6,96 475.048,97 30.855,98 3.516,99 3.94,100 87.111,101 24.089,102 593.616,103 30.674,105 262,106 80,107 0.257,108 0.557,109 0.749,110 0.857,111 0.871,112 0.871,113 4.01,114 1.014,115 -2.01,116 -2.06,117 -2.05,120 35.6,121 4,122 7,126 2,128 3,130 1,131 1,140 9,141 1,142 2,151 1,153 4,154 1,162 1,164 1,165 13,166 1,167 3,168 6,171 7,173 6,176 15,177 1,181 1,182 9,185 4,187 8,190 6,194 1,195 18,198 1,200 9,201 1,203 1,206 6,207 12,208 2,210 5,211 3,212 6,215 5,219 3,220 13,221 2,223 3,224 1,225 3,227 10,230 5,231 21,234 4,236 6,239 12,240 2,244 4,245 10,246 1,248 3,250 8,251 1,253 10,254 3,257 3,258 12,261 4,262 1,263 8,266 18,270 8426,271 34.288,272 34.288,273 34.288,274 34.288,275 34.288,276 31.745,277 38.076,278 20.131,279 34.883,280 27.541,281 27.541,282 27.541,283 27.541,284 27.541,285 23.354,286 40.161,287 9.499,288 28.529,289 4.891,290 2.833,291 1.515,292 0.773,293 0.674,294 0.674,295 4.678,303 2003,304 7.45,306 200.218,307 457.71,313 2.844,314 134.585,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 123.5,326 986,327 4.848,328 4.685,329 7.669,330 4.453,331 3.521,332 4.701,333 3.524,334 13.519,335 3.276,336 4.635,337 4.65,338 7.296,339 4.296,340 3.378,341 3.827,342 2.341,343 12.427,344 3.071,345 4.273,346 3.951,347 6.731,348 4.122,349 3.163,350 3.466,351 2.19,352 10.873,353 3.036,354 4.154,355 3.766,356 6.446,357 4.062,358 3.118,359 3.422,360 2.012,361 10.155,362 2.923,363 3.963,364 3.65,365 6.064,366 3.713,367 2.729,368 3.413,369 1.944,370 8.622,371 2.675,372 3.881,373 3.591,374 5.919,375 3.59,376 2.601,377 3.208,378 1.899,379 8.103,380 2.571,381 3.831,382 3.477,383 5.469,384 3.465,385 2.488,386 2.998,387 1.267,388 7.295,389 2.429,390 3.557,391 3.17,392 5.292,393 3.261,394 2.279,395 2.712,396 0.635,397 6.605,398 2.226,399 3.515,400 2.922,401 5.174,402 3.184,403 2.182,404 2.665,405 0.366,406 5.993,407 2.161,408 3.427,409 2.685,410 4.838,411 3.072,412 2.077,413 2.557,414 0.207,415 5.291,416 2.031,417 3.097,418 2.578,419 4.764,420 2.795,421 1.801,422 2.249,423 0.086,424 4.97,425 1.771,426 3.007,427 2.488,428 4.639,429 2.7,430 1.726,431 2.06,432 0.05,433 4.776,434 1.671,435 2.912,436 2.104,437 4.554,438 2.572,439 1.583,440 2.033,442 3.813,443 1.558,444 2.686,445 1.983,446 4.02,447 2.455,448 1.45,449 1.711,451 3.185,452 1.453,453 2.64,454 1.909,455 3.699,456 2.312,457 1.314,458 1.616,460 3.078,461 1.298,462 24.738,463 0.458,464 1.927,465 0.036,466 58.25,467 1.079,468 24.5,469 0.454,470 33.75,471 0.625,472 69.166,473 1.281,474 64.062,475 0.634,476 70.84,477 1.312,478 11.171,479 0.207,480 14.074,481 0.261,482 0.225,483 0.074,484 0.259,486 2,490 0.634,491 1.324,492 0.808,493 1.328,494 0.614,495 1.089,496 0.516,497 1.179,498 0.78,499 1.153,500 0.497,501 1.07,502 0.868,503 0.992,504 1.042,505 1.084,506 0.778,507 1.055,508 1.107,509 1.043,510 0.922,511 0.955,512 1.148,513 0.865,514 1.423,515 1.069,516 1.185,517 0.911,518 1.449,519 0.922,520 1.129,521 1.189,522 0.948,523 1.023,524 1.128,525 0.942,526 1.174,527 1.288,528 0.882,529 1.054,530 1.225,531 0.998,532 1.336,533 1.101,534 1.002,535 0.847,536 1.34,537 0.925,538 15.5,539 0.514,540 7.333,541 4.743,542 3.521,543 2.587,544 2.183,545 1.653,546 1.339,547 0.851,548 52469,549 172733,550 1.89,551 46.5,552 5,553 16,556 5,557 2,558 19,560 1.875,561 1.71,562 4.069,563 2.026,569 178.467,570 1.767,571 3.825,572 5.143,573 5.886,574 5.985,575 5.985,576 3.619,577 5.482,578 5.722,579 4.297,580 6148.55,581 10.241,582 133836,587 672.479,588 1.764,589 5.63,590 0.277,591 0.006,592 0.092,593 0.057,594 0.04,595 0.028,596 0.021,597 0.015,598 0.013,599 0.009,600 0.558,601 0.17,602 0.63,603 1.774,604 332.626,605 -0.029,606 -0.113,607 0.105,608 -0.05,609 -0.073,610 0.011,611 0.254,612 -0.052,613 0.117,614 -0.06,615 0.195,616 -0.034,617 0.075,618 0.018,619 -0.034,620 -0.047,621 0.084,622 -0.063,623 -0.082,624 -0.074,625 0.091,626 0.013,627 -0.082,628 0.103,629 -0.137,630 0.053,631 -0.147,632 0.051,633 -0.116,634 -0.014,635 -0.017,636 -0.053,637 0.025,638 -0.018,639 0.009,640 0.033,641 0.019,642 -0.142,643 0.058,644 -0.087,645 -0.004,646 -0.035,647 -0.047,648 0.074,649 -0.052,650 0.063,651 -0.038,652 0.003,653 5.981,654 7.709,655 0.315,656 87.336,657 1.023,658 1.142,659 0.781,660 0.61,661 0.632,662 4.043,663 4.394,664 4.554,665 4.736,666 4.868,667 4.949,668 5.063,669 5.124,670 5.198,671 5.182,672 10.492,673 0.612,674 779.95,675 4.043,676 5.609,677 6.431,678 7.317,679 8.163,680 9.052,681 9.911,682 10.801,683 11.668,684 12.559,685 5,687 1,692 4,699 9,704 3,706 12,720 101,723 20,724 2,725 56,727 103,728 36,729 12,730 3,731 9,735 3,736 3,741 4,743 1,745 3,748 11,749 18,750 18,751 1,754 8,757 1,759 8,763 6,766 2,768 47,769 17,770 5,771 18,772 1,775 5,780 1,781 10,786 1,788 1,789 2,798 1,800 2,801 1,802 1,810 1,811 1,813 3,815 1,817 4,819 2,821 54,824 1,827 1,828 9,829 4,830 1,833 3,834 1,835 2,839 2,840 9.9,842 1,843 8,845 1,847 31.583,848 18.602,849 11.806,850 6.144,851 1.545,852 1.19,853 0.906,854 16.118,855 9.699,856 4.263,857 4.771,858 5.094,859 5.45,860 5.818,861 5.864,862 6.156,863 6.214,864 6.404,865 6.424,866 1,867 83,868 21.66,870 10.845,871 8.378,872 36.854,874 30.044,877 2.878,878 155.417,882 494.386,883 184.585,884 73.562,886 248.866,887 29.92,888 5.807,889 178.777,890 743.252,891 103.482,892 35.301,893 79.11,894 107.499,895 258.023,896 50.237,897 6.763,898 494.386,900 494.386,901 252.339,902 278.786,903 5.807,905 270.735,906 502.437,908 1.824,909 130.816,910 119.699,911 5.807,913 524.307,914 322.427,915 184.585,917 5.807,918 496.21,919 56.366,920 123.711,921 70.437,922 278.786,923 494.386,924 352.348,925 184.585,927 0.589,928 0.319,929 0.157,930 0.082,931 31,932 19,933 0.194,934 20,936 1,937 5.535,938 580.203,940 17,941 298.009,944 1,945 44.449,946 19.582,947 13.397,949 352.348,950 12.398,955 -0.273,957 113.121,958 1031.32,959 70,962 -4.033,964 102.94,968 -8.102,969 103.323,970 115.319,971 0.265,972 0.574,973 0.772,974 0.884,975 0.899,976 0.899,977 5.545,978 2.279,979 6.491,980 7.295,981 5.081,982 5.46,983 4.089,984 7.361,985 5.007,986 6.769,987 2.182,988 8.109,989 6.605,990 5.017,991 5.551,992 4.097,993 8.699,994 4.852,995 8.11,996 2.077,997 9.847,998 5.993,999 6.812,1000 7.585,1001 5.718,1002 11.702,1003 6.624,1004 9.486,1005 1.801,1006 11.66,1007 5.291,1008 7.518,1009 8.459,1010 6.516,1011 13.824,1012 7.222,1013 10.898,1014 1.726,1015 13.52,1016 4.97,1017 8.897,1018 10.107,1019 7.819,1020 16.488,1021 8.561,1022 12.335,1023 1.583,1024 15.414,1025 4.776,1026 9.905,1027 11.32,1028 8.924,1029 18.884,1030 9.466,1031 13.791,1032 1.45,1033 17.332,1034 3.813,1035 11.159,1036 12.864,1037 10.173,1038 21.467,1039 10.663,1040 3.521,1041 1.314,1042 19.27,1043 3.185,1044 12.29,1045 14.239,1046 11.383,1047 23.966,1048 11.698,1049 3.378,1050 13.519,1051 21.222,1052 3.078,1053 13.509,1054 15.761,1055 12.632,1056 26.532,1057 12.849,1058 3.163,1059 12.427,1060 23.185,1061 4.701,1062 14.691,1063 17.218,1064 13.875,1065 29.074,1066 13.941,1067 3.118,1068 10.873,1069 25.158,1070 3.827,1071 15.905,1072 18.741,1073 15.129,1074 31.642,1075 15.081,1076 2.729,1077 10.155,1078 27.14,1079 3.466,1080 17.109,1081 20.24,1082 16.383,1083 34.204,1084 16.201,1085 2.601,1086 8.622,1087 29.127,1088 3.422,1089 18.327,1090 21.769,1091 17.64,1092 36.778,1093 17.341,1094 2.488,1095 8.103,1096 31.12,1097 3.413,1098 19.544,1099 23.29,1100 18.898,1101 39.351,1102 18.476,1103 52740,1104 96043,1105 34.383,1106 63.847,1107 84.963,1108 88.851,1109 87.233,1110 84.009,1111 83.733,1112 101.224,1113 33.037,1114 246.946,1115 81.009,1116 5.837,1117 6.685,1118 7.568,1119 5.528,1120 5.521,1121 7.701,1122 5.246,1123 21.708,1124 5.276,1125 41.146,1126 1.517,1127 1.587,1128 1.558,1129 1.5,1130 1.495,1131 1.808,1132 0.59,1133 4.41,1134 1.447,1135 4.09,1136 4.086,1137 4.735,1138 4.065,1139 8.363,1140 3.984,1141 3.975,1142 4.003,1143 3.927,1144 3.88,1145 7.999,1146 3.872,1147 3.896,1148 3.935,1149 3.822,1150 3.753,1151 7.717,1152 3.764,1153 3.782,1154 3.815,1155 3.781,1156 3.618,1157 7.475,1158 3.613,1159 3.758,1160 3.793,1161 3.681,1162 3.581,1163 7.44,1164 3.583,1165 3.695,1166 3.744,1167 3.641,1168 3.54,1169 7.43,1170 3.544,1171 3.673,1172 3.72,1173 3.557,1174 3.514,1175 7.425,1176 3.514,1177 3.57,1178 3.593,1179 3.459,1180 3.453,1181 7.422,1182 3.402,1183 0.087,1184 0.084,1185 0.137,1186 0.08,1187 0.063,1188 4.848,1189 0.084,1190 4.685,1191 0.063,1192 7.669,1193 0.241,1194 4.453,1195 0.058,1196 3.521,1197 4.701,1198 3.524,1199 13.519,1200 3.276,1201 1.963,1202 1.969,1203 2.057,1204 2.052,1205 1.274,1206 2.078,1207 1.927,1208 1.898,1209 1.992,1210 2.023,1211 1.253,1212 2.035,1213 1.752,1214 1.71,1215 1.96,1216 1.968,1217 1.233,1218 1.953,1219 1.704,1220 1.657,1221 1.951,1222 1.897,1223 1.209,1224 1.914,1225 1.688,1226 1.637,1227 1.912,1228 1.883,1229 1.153,1230 1.897,1231 1.664,1232 1.62,1233 1.865,1234 1.854,1235 1.117,1236 1.851,1237 1.577,1238 1.536,1239 1.763,1240 1.77,1241 0.986,1242 1.776,1243 1.489,1244 1.457,1245 1.653,1246 1.73,1247 0.9,1248 1.72,1249 4.727,1251 6.071,1252 2.398,1253 7.581,1254 4.595,1255 9.17,1256 6.605,1257 10.802,1259 6.614,1261 31.417,1264 9.229,1265 0.397,1266 8.917,1267 5.207,1270 -4.69,1271 1.076,1272 -5.679,1273 61.798,1274 178.467,1275 386.327,1276 519.447,1277 594.44,1278 604.44,1279 604.44,1280 371.763,1281 8.153,1282 217.38,1283 225.76,1284 17,1285 13.092,1286 4.392,1287 3.907,1288 142.287,1289 328,1290 436,1291 0.199,1292 386.247,1293 714.35,1294 934.203,1295 43567,1296 2,1297 40.269,1298 0.746,1299 0.58,1300 38.726,1301 31.341,1302 25.245,1303 0.451,1304 0.338,1305 17.269,1306 23.212,1307 16.721,1308 13.884,1309 25.305,1310 18.925,1311 24.59,1312 0.307,1313 0.194,1314 24.72,1315 15.511,1316 17.741,1317 0.189,1318 0.103,1319 17.312,1320 9.668,1321 13.632,1322 0.121,1323 0.059,1324 14.202,1325 6.673,1326 9.863,1327 0.076,1328 0.033,1329 10.407,1330 4.289,1331 0.317,1332 169.174,1333 0.171,1334 45.505,1335 0.538,1336 272,1337 1081.83,1338 354.744,1339 982.011,1340 1252.93,1341 896,1342 310,1343 827.694,1344 396.162,1345 846.788,1346 1241.27,1347 791,1348 6.322}
{0 CHEMBL436061,1 1.741,2 15.592,3 2.86,4 8.179,5 166.554,6 7.917,7 0.235,8 4.552,9 4.658,10 4.121,11 4.005,12 5.786,13 4.019,14 5.111,15 5.265,16 4.552,17 4.391,18 6.534,19 4.389,20 5.449,21 5.634,22 4.643,23 4.551,24 6.89,25 4.527,26 5.537,27 5.752,28 4.687,29 4.536,30 6.882,31 4.538,32 5.527,33 5.701,34 4.758,35 4.541,36 7.069,37 4.577,38 5.568,39 5.753,40 4.838,41 4.644,42 7.061,43 4.662,44 5.673,45 5.856,46 4.924,47 4.704,48 7.205,49 4.725,50 5.73,51 5.923,52 4.864,53 4.711,54 7.267,55 4.721,56 0.359,57 1.335,58 16.195,59 8.027,60 61.501,61 9.557,62 1.217,63 2.252,64 32.953,65 13.132,66 192.237,67 16.888,68 2.151,69 2.591,70 52.026,71 16.665,72 332.442,73 21.85,74 2.082,75 2.717,76 60.79,77 17.088,78 354.439,79 23.258,80 2.68,81 2.85,82 58.242,83 15.765,84 427.422,85 19.119,86 2.338,87 3.117,88 59.794,89 18.865,90 399.463,91 23.361,92 2.73,93 3.434,94 67.221,95 20.884,96 471.082,97 25.839,98 3.493,99 3.427,100 74.897,101 20.659,102 609.768,103 25.228,105 217,106 73,107 0.261,108 0.586,109 0.771,110 0.86,111 0.87,112 0.87,113 3.915,114 0.901,115 -2.24,116 -2.28,117 -2.25,120 37.9,121 3,122 5,126 1,128 3,130 1,131 1,140 9,141 2,142 1,151 1,153 5,154 1,162 2,164 2,165 13,166 2,167 2,168 7,171 6,173 6,176 15,177 3,181 1,182 7,185 4,187 8,190 7,191 1,194 1,195 15,198 1,200 8,201 2,203 1,204 1,206 6,207 10,208 2,210 4,211 3,212 6,215 3,219 3,220 11,221 3,223 3,224 1,225 3,227 7,230 4,231 22,234 4,236 5,239 8,240 2,244 4,245 10,246 2,248 3,250 8,251 1,253 9,254 3,257 2,258 11,261 4,262 1,263 7,264 1,266 18,267 1,270 6161,271 30.979,272 30.979,273 30.979,274 30.979,275 30.979,276 28.554,277 35.897,278 17.999,279 31.409,280 25.097,281 25.097,282 25.097,283 25.097,284 25.097,285 21.19,286 39.577,287 8.526,288 25.799,289 4.702,290 2.535,291 1.297,292 0.704,293 0.635,294 0.635,295 4.583,303 1556,304 6.964,306 179.948,307 411.215,313 2.383,314 124.098,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 113,326 764,327 4.636,328 4.651,329 7.669,330 4.453,331 3.521,332 3.856,333 3.524,334 13.519,335 3.276,336 4.273,337 3.951,338 6.731,339 4.122,340 3.163,341 3.753,342 2.341,343 10.873,344 3.036,345 4.192,346 3.766,347 6.446,348 4.062,349 3.118,350 3.454,351 2.19,352 10.155,353 2.923,354 4.154,355 3.65,356 6.066,357 3.815,358 2.82,359 3.421,360 2.012,361 8.639,362 2.797,363 3.948,364 3.591,365 5.982,366 3.704,367 2.719,368 3.208,369 1.944,370 8.475,371 2.667,372 3.833,373 3.579,374 5.909,375 3.584,376 2.593,377 3.012,378 1.899,379 8.07,380 2.565,381 3.669,382 3.476,383 5.372,384 3.336,385 2.347,386 2.94,387 1.437,388 6.822,389 2.314,390 3.542,391 3.17,392 5.242,393 3.218,394 2.238,395 2.704,396 1.267,397 6.5,398 2.186,399 3.493,400 2.923,401 5.156,402 3.171,403 2.179,404 2.634,405 0.635,406 5.967,407 2.125,408 3.411,409 2.687,410 4.796,411 3.061,412 2.068,413 2.545,414 0.366,415 5.284,416 2.022,417 3.045,418 2.578,419 4.668,420 2.778,421 1.777,422 2.099,423 0.207,424 4.85,425 1.758,426 2.939,427 2.529,428 4.577,429 2.536,430 1.536,431 2.041,432 0.086,433 4.003,434 1.524,435 2.833,436 2.104,437 4.024,438 2.392,439 1.405,440 1.919,441 0.05,442 3.193,443 1.373,444 2.641,445 1.983,446 3.794,447 2.299,448 1.298,449 1.596,451 3.068,452 1.289,453 2.53,454 1.805,455 3.644,456 2.21,457 1.208,458 1.5,460 2.876,461 1.194,462 22.005,463 0.449,464 1.788,465 0.036,466 54,467 1.102,468 23,469 0.469,470 31,471 0.633,472 58.51,473 1.194,474 57.195,475 0.657,476 64.238,477 1.311,478 10.949,479 0.223,480 11.935,481 0.244,482 0.23,483 0.045,484 0.314,486 2,490 0.701,491 1.229,492 0.744,493 1.199,494 0.632,495 1.025,496 0.507,497 1.179,498 0.721,499 1.185,500 0.486,501 1.062,502 0.849,503 0.978,504 1.011,505 1.079,506 0.764,507 1.1,508 1.04,509 1.045,510 0.877,511 0.958,512 1.077,513 0.875,514 1.368,515 1.088,516 1.169,517 0.877,518 1.399,519 0.923,520 1.077,521 1.19,522 0.918,523 1.002,524 1.064,525 0.918,526 1.128,527 1.302,528 0.943,529 1.104,530 1.153,531 0.988,532 1.344,533 1.084,534 1.154,535 0.86,536 1.349,537 0.915,538 14,539 0.415,540 6.444,541 4.243,542 3.223,543 2.33,544 2.082,545 1.484,546 1.182,547 0.715,548 39554,549 141211,550 1.895,551 43.7,553 14,556 5,557 2,558 17,560 1.854,561 1.709,562 3.888,563 2.086,569 151.431,570 1.741,571 3.908,572 5.146,573 5.739,574 5.807,575 5.807,576 3.33,577 5.273,578 5.584,579 4.118,580 4842.57,581 9.97,582 97399.2,587 560.536,588 1.751,589 5.49,590 0.275,591 0.006,592 0.088,593 0.057,594 0.04,595 0.028,596 0.022,597 0.015,598 0.013,599 0.009,600 0.552,601 0.17,602 0.63,603 1.598,604 292.392,605 -0.079,606 -0.082,607 -0.002,608 -0.008,609 -0.069,610 0.019,611 0.236,612 -0.056,613 0.126,614 -0.085,615 0.182,616 -0.039,617 0.069,618 0.028,619 -0.07,620 -0.077,621 0.074,622 -0.121,623 -0.071,624 -0.085,625 0.123,626 -0.003,627 -0.077,628 0.103,629 -0.145,630 0.033,631 -0.154,632 0.055,633 -0.128,634 -0.03,635 -0.014,636 -0.051,637 0.065,638 0.003,639 0.018,640 0.051,641 0.009,642 -0.145,643 0.061,644 -0.094,645 0.008,646 -0.018,647 -0.105,648 0.07,649 -0.109,650 0.095,651 -0.08,652 0.016,653 5.948,654 7.442,655 0.347,656 70.85,657 1.03,658 1.141,659 1.014,660 1.028,661 0.634,662 3.951,663 4.304,664 4.466,665 4.654,666 4.779,667 4.852,668 4.963,669 5.017,670 5.088,671 5.056,672 9.471,673 0.626,674 688.75,675 3.951,676 5.517,677 6.34,678 7.223,679 8.069,680 8.954,681 9.81,682 10.697,683 11.561,684 12.449,685 4.6,692 4,699 9,704 3,706 12,711 1,720 87,723 19,724 2,725 51,727 89,728 33,729 12,730 3,731 9,732 1,735 3,736 3,741 3,743 1,745 3,748 9,749 19,750 14,751 1,754 7,759 7,763 7,766 2,768 38,769 16,770 5,771 16,775 4,780 1,781 10,786 1,788 1,789 2,798 1,800 2,801 1,802 1,810 1,811 2,813 3,817 3,819 2,821 49,827 2,828 6,829 3,830 1,833 3,834 1,835 2,839 2,840 11.5,842 2,843 7,845 1,847 28.667,848 15.969,849 10.625,850 5.034,851 1.432,852 1.181,853 0.89,854 13.544,855 9.347,856 4.174,857 4.663,858 5.004,859 5.365,860 5.719,861 5.724,862 5.962,863 6.048,864 6.215,865 6.222,866 1,867 75,868 19.391,870 9.599,871 8.483,872 32.826,874 26.567,877 2.983,878 146.167,882 388.446,883 165.322,884 57.157,886 272.381,887 29.92,889 165.322,890 660.827,891 87.077,892 26.476,893 71.935,894 85.286,895 282.448,896 51.872,897 6.763,898 388.446,900 388.446,901 222.478,902 302.301,905 188.338,906 502.41,908 1.824,909 98.411,910 122.244,913 418.367,914 329.538,915 165.322,918 390.27,919 51.736,920 114.886,921 54.032,922 302.301,923 388.446,924 359.458,925 165.322,927 0.593,928 0.321,929 0.159,930 0.082,931 29,932 18,933 0.18,934 16,936 1,937 5.192,938 511.593,940 17,941 264.366,945 39.207,946 16.927,947 11.419,949 359.458,950 12.286,955 -0.247,957 139.399,958 913.226,959 64,964 88.13,968 -9.444,969 89.61,970 99.24,971 0.27,972 0.607,973 0.799,974 0.891,975 0.901,976 0.901,977 5.455,978 2.238,979 6.392,980 6.822,981 4.99,982 5.352,983 4.156,984 7.244,985 4.933,986 6.668,987 2.179,988 7.997,989 6.5,990 4.89,991 5.286,992 4.097,993 8.483,994 4.762,995 7.985,996 2.068,997 9.717,998 5.967,999 6.688,1000 7.357,1001 5.746,1002 11.496,1003 6.544,1004 9.331,1005 1.777,1006 11.505,1007 5.284,1008 7.347,1009 7.99,1010 6.516,1011 13.545,1012 7.117,1013 10.705,1014 1.536,1015 13.34,1016 4.85,1017 8.722,1018 9.645,1019 7.826,1020 16.211,1021 8.462,1022 12.1,1023 1.405,1024 15.209,1025 4.003,1026 9.691,1027 10.575,1028 8.924,1029 18.575,1030 9.343,1031 13.511,1032 1.298,1033 17.105,1034 3.193,1035 10.935,1036 12.075,1037 10.175,1038 21.162,1039 10.541,1040 3.521,1041 1.208,1042 19.023,1043 3.068,1044 12.039,1045 13.155,1046 11.383,1047 23.656,1048 11.559,1049 3.163,1050 13.519,1051 20.958,1052 2.876,1053 13.248,1054 14.582,1055 12.632,1056 26.232,1057 12.708,1058 3.118,1059 10.873,1060 22.908,1061 3.856,1062 14.413,1063 15.749,1064 13.875,1065 28.781,1066 13.79,1067 2.82,1068 10.155,1069 24.872,1070 3.753,1071 15.619,1072 17.137,1073 15.129,1074 31.363,1075 14.928,1076 2.719,1077 8.639,1078 26.846,1079 3.454,1080 16.814,1081 18.359,1082 16.383,1083 33.938,1084 16.042,1085 2.593,1086 8.475,1087 28.83,1088 3.421,1089 18.027,1090 19.724,1091 17.64,1092 36.526,1093 17.181,1094 2.347,1095 8.07,1096 30.822,1097 3.208,1098 19.239,1099 20.982,1100 18.898,1101 39.114,1102 18.313,1103 39643,1104 75194,1105 31.323,1106 55.148,1107 78.427,1108 81.533,1109 79.915,1110 77.006,1111 76.738,1112 92.61,1113 35.911,1114 225.349,1115 74.759,1116 5.625,1117 6.651,1118 7.471,1119 5.527,1120 5.521,1121 6.856,1122 5.246,1123 21.707,1124 5.276,1125 37.173,1126 1.538,1127 1.599,1128 1.567,1129 1.51,1130 1.505,1131 1.816,1132 0.704,1133 4.419,1134 1.466,1135 4.007,1136 4.043,1137 3.948,1138 3.898,1139 8.363,1140 3.9,1141 3.921,1142 3.952,1143 3.863,1144 3.845,1145 7.999,1146 3.844,1147 3.896,1148 3.933,1149 3.82,1150 3.751,1151 7.478,1152 3.763,1153 3.77,1154 3.81,1155 3.717,1156 3.583,1157 7.472,1158 3.599,1159 3.728,1160 3.754,1161 3.659,1162 3.544,1163 7.439,1164 3.567,1165 3.677,1166 3.722,1167 3.558,1168 3.515,1169 7.43,1170 3.516,1171 3.463,1172 3.501,1173 3.4,1174 3.213,1175 7.425,1176 3.252,1177 3.426,1178 3.454,1179 3.339,1180 3.155,1181 7.422,1182 3.199,1183 0.091,1184 0.091,1185 0.15,1186 0.087,1187 0.069,1188 4.636,1189 0.076,1190 4.651,1191 0.069,1192 7.669,1193 0.265,1194 4.453,1195 0.064,1196 3.521,1197 3.856,1198 3.524,1199 13.519,1200 3.276,1201 1.929,1202 1.9,1203 2.057,1204 2.037,1205 1.253,1206 2.038,1207 1.904,1208 1.881,1209 2.002,1210 2.003,1211 1.233,1212 2.005,1213 1.752,1214 1.71,1215 1.951,1216 1.968,1217 1.209,1218 1.953,1219 1.689,1220 1.644,1221 1.912,1222 1.888,1223 1.117,1224 1.897,1225 1.664,1226 1.624,1227 1.865,1228 1.859,1229 1.087,1230 1.851,1231 1.575,1232 1.532,1233 1.764,1234 1.767,1235 0.986,1236 1.772,1237 1.482,1238 1.432,1239 1.653,1240 1.729,1241 0.899,1242 1.707,1243 1.313,1244 1.277,1245 1.441,1246 1.599,1247 0.574,1248 1.555,1249 4.635,1251 5.979,1252 2.398,1253 7.486,1254 4.595,1255 9.068,1256 6.605,1257 10.693,1259 4.746,1261 30.884,1264 18.348,1265 -0.967,1266 6.461,1267 5.188,1270 -4.65,1271 1.073,1272 -5.64,1273 54.483,1274 151.431,1275 340.012,1276 447.703,1277 499.252,1278 505.252,1279 505.252,1280 306.037,1281 7.916,1282 208.51,1283 208.51,1284 17,1285 12.985,1286 4.322,1287 3.807,1288 120.908,1289 273,1290 283,1291 0.207,1292 336.617,1293 630.3,1294 813.106,1295 31182,1296 2.3,1297 36.518,1298 0.745,1299 0.552,1300 34.725,1301 27.034,1302 22.884,1303 0.449,1304 0.3,1305 15.032,1306 21.674,1307 14.694,1308 12.134,1309 22.123,1310 15.318,1311 22.451,1312 0.308,1313 0.169,1314 21.258,1315 12.351,1316 16.195,1317 0.188,1318 0.085,1319 14.672,1320 7.352,1321 12.535,1322 0.121,1323 0.049,1324 12.223,1325 5.076,1326 9.059,1327 0.077,1328 0.026,1329 8.795,1330 3.082,1331 0.326,1332 146.523,1333 0.179,1334 41.976,1335 0.566,1336 248,1337 1033.05,1338 292.597,1339 914.163,1340 1157.85,1341 836,1342 283,1343 779.821,1344 323.425,1345 763.086,1346 1119.57,1347 713,1348 5.886}
{0 CHEMBL442146,1 1.821,2 12.59,3 0.79,4 0.624,5 134.279,6 8.462,7 0.293,8 4.262,9 4.371,10 3.892,11 3.746,12 5.559,13 3.771,14 4.774,15 4.92,16 4.302,17 4.107,18 6.253,19 4.123,20 5.071,21 5.232,22 4.454,23 4.253,24 6.708,25 4.256,26 5.157,27 5.356,28 4.4,29 4.252,30 6.563,31 4.258,32 5.154,33 5.326,34 4.506,35 4.271,36 6.76,37 4.303,38 5.222,39 5.403,40 4.582,41 4.293,42 6.936,43 4.335,44 5.212,45 5.385,46 4.48,47 4.294,48 6.793,49 4.316,50 5.228,51 5.434,52 4.414,53 4.268,54 6.67,55 4.272,56 0.299,57 1.071,58 10.205,59 5.457,60 53.558,61 6.095,62 0.859,63 1.806,64 20.314,65 8.958,66 138.913,67 10.636,68 1.624,69 2.012,70 31.012,71 11.483,72 276.674,73 13.852,74 1.557,75 2.138,76 38.066,77 11.964,78 267.223,79 14.614,80 1.682,81 2.291,82 35.666,83 12.377,84 310.381,85 13.795,86 2.069,87 2.25,88 40.161,89 12.396,90 368.35,91 14.637,92 1.819,93 2.34,94 38.325,95 12.687,96 310.454,97 13.996,98 1.739,99 2.165,100 42.642,101 13.031,102 300.232,103 15.834,105 107,106 58,107 0.289,108 0.643,109 0.793,110 0.874,111 0.895,112 0.895,113 3.693,114 0.847,115 -2.5,116 -2.53,117 -2.47,120 40.6,121 1,122 1,126 2,128 1,131 1,137 1,138 1,140 9,141 3,151 1,153 5,158 1,159 1,160 1,162 1,164 1,165 14,167 2,168 2,171 3,173 1,174 1,176 16,181 1,182 5,184 3,185 6,186 1,187 1,190 10,194 2,195 7,196 1,198 1,200 2,203 2,206 4,207 12,210 4,211 1,212 5,217 1,219 1,220 10,221 1,222 1,223 1,224 1,225 6,226 1,229 2,230 2,231 13,234 2,236 6,237 1,239 1,240 1,242 2,244 3,245 11,248 2,249 1,250 8,253 3,254 1,256 3,258 9,259 1,260 1,261 1,263 3,266 6,267 2,268 1,270 3218,271 25.1,272 25.1,273 25.1,274 25.1,275 25.1,276 22.455,277 24.789,278 14.657,279 25.402,280 20.141,281 20.141,282 20.141,283 20.141,284 20.141,285 16.043,286 21.718,287 6.944,288 20.651,289 4.179,290 1.947,291 1.001,292 0.492,293 0.356,294 0.356,295 4.365,303 1013,304 5.431,307 447.892,313 1.673,314 90.426,317 0.5,318 0.5,319 0.5,320 0.8,322 0.33,324 0.38,325 89.5,326 491,327 4.631,328 4.65,329 7.668,330 4.449,331 3.517,332 3.937,333 3.524,334 13.509,335 3.27,336 4.457,337 3.824,338 6.75,339 4.129,340 3.173,341 3.813,342 2.375,343 10.975,344 3.034,345 4.042,346 3.625,347 5.987,348 3.678,349 2.695,350 3.518,351 1.973,352 8.351,353 2.649,354 3.946,355 3.582,356 5.958,357 3.642,358 2.646,359 3.451,360 1.904,361 8.231,362 2.623,363 3.73,364 3.431,365 5.321,366 3.39,367 2.391,368 2.94,369 1.269,370 6.736,371 2.378,372 3.6,373 3.054,374 5.275,375 3.246,376 2.252,377 2.882,378 1.25,379 6.363,380 2.223,381 3.556,382 2.884,383 5.053,384 3.187,385 2.202,386 2.727,387 0.78,388 5.872,389 2.159,390 3.419,391 2.676,392 4.83,393 3.071,394 2.06,395 2.56,396 0.317,397 5.283,398 2.066,399 3.097,400 2.544,401 4.673,402 2.67,403 1.7,404 2.145,405 0.217,406 4.796,407 1.634,408 2.945,409 2.142,410 4.496,411 2.546,412 1.556,413 2.085,414 0.152,415 4.035,416 1.529,417 2.915,418 1.988,419 4.21,420 2.389,421 1.414,422 2.01,424 3.659,425 1.372,426 2.717,427 1.849,428 3.695,429 2.35,430 1.376,431 1.698,433 3.048,434 1.318,435 2.61,436 1.491,437 3.526,438 2.118,439 1.126,440 1.637,442 2.542,443 1.114,444 2.5,445 1.475,446 3.477,447 2,448 1,449 1.5,451 2.136,452 1,453 2.163,454 1.438,455 3.247,456 1.718,457 0.702,458 0.898,460 1.805,461 0.692,462 17.571,463 0.451,464 1.277,465 0.033,466 47.5,467 1.218,468 22.5,469 0.577,470 25,471 0.641,472 36.653,473 0.94,474 43.629,475 0.682,476 51.62,477 1.324,478 10.26,479 0.263,480 8.135,481 0.209,482 0.198,483 0.028,484 0.336,486 2,490 0.688,491 1.129,492 0.697,493 1.054,494 0.643,495 0.91,496 0.573,497 1.111,498 0.718,499 1.106,500 0.577,501 0.998,502 0.692,503 0.964,504 0.919,505 1.083,506 0.785,507 1.101,508 1.06,509 0.988,510 0.994,511 0.925,512 1.075,513 0.926,514 1.15,515 1.275,516 1.028,517 1.084,518 1.137,519 1.019,520 0.99,521 1.041,522 0.88,523 0.902,524 0.957,525 0.852,526 1.295,527 1.202,528 1.195,529 1.11,530 1.296,531 1.105,532 1.124,533 0.983,534 1.006,535 0.901,536 1.164,537 0.907,538 10,539 0.421,540 5.556,541 3.313,542 2.698,543 1.958,544 1.282,545 0.941,546 0.703,547 0.664,548 20995,549 77590,550 1.931,551 39.1,552 3,553 14,554 1,556 5,558 2,560 1.802,561 1.753,562 3.586,563 2.263,569 116.573,570 1.821,571 4.053,572 4.999,573 5.508,574 5.644,575 5.644,576 2.98,577 5.029,578 5.258,579 3.787,580 2805.93,581 9.319,582 47340.5,587 384,588 1.69,589 5.174,590 0.244,591 0.007,592 0.096,593 0.053,594 0.044,595 0.029,596 0.018,597 0.015,598 0.012,599 0.011,600 0.528,601 0.17,602 0.63,603 1.452,604 216.191,605 -0.094,606 -0.064,607 -0.011,608 0.028,609 -0.092,610 0.043,611 0.174,612 -0.015,613 0.089,614 -0.063,615 0.118,616 -0.034,617 0.242,618 0.053,619 -0.014,620 -0.089,621 0.152,622 -0.152,623 -0.082,624 0.003,625 -0.009,626 0.04,627 -0.094,628 0.044,629 -0.018,630 -0.072,631 -0.057,632 -0.085,633 -0.006,634 -0.081,635 0.116,636 -0.009,637 0.119,638 0.053,639 0.172,640 0.084,641 -0.13,642 -0.039,643 -0.212,644 -0.124,645 -0.109,646 -0.175,647 -0.102,648 -0.049,649 0.016,650 0.055,651 -0.113,652 0.073,653 5.912,654 6.744,655 0.462,656 41.525,657 1.035,658 1.141,659 1.27,660 1.613,661 0.656,662 3.738,663 4.078,664 4.29,665 4.466,666 4.673,667 4.718,668 4.745,669 4.836,670 4.883,671 4.927,672 7.744,673 0.656,674 541.56,675 3.738,676 5.293,677 6.129,678 7.006,679 7.866,680 8.748,681 9.618,682 10.505,683 11.38,684 12.269,685 7.8,686 1,692 3,694 1,699 9,704 3,706 12,720 64,723 19,724 2,725 41,727 66,728 26,729 12,730 3,731 9,732 4,735 3,736 3,741 1,743 1,748 3,749 20,750 6,754 7,759 5,761 1,762 1,763 7,766 2,768 25,769 13,770 5,771 13,775 5,776 1,780 1,781 6,789 3,798 1,800 2,801 1,802 1,805 1,807 1,811 1,813 3,817 1,819 2,821 39,822 1,827 1,828 3,829 2,833 1,834 1,835 1,839 2,840 9.4,842 1,843 5,847 22.25,848 11.469,849 8.556,850 3.438,851 2.396,852 1.317,853 0.937,854 9.547,855 9.946,856 4.007,857 4.533,858 4.963,859 5.353,860 5.83,861 5.907,862 6.181,863 6.431,864 6.669,865 6.794,866 1,867 63,868 15.37,870 7.658,871 8.494,872 25.789,874 20.615,877 2.994,878 116.75,882 235.422,883 146.528,884 88.829,886 168.408,887 29.92,889 146.528,890 403.83,891 118.749,892 8.825,893 87.836,894 85.286,895 193.65,896 58.087,897 11.771,898 223.651,900 235.422,901 235.356,902 198.328,905 211.88,906 221.87,908 1.824,909 104.4,910 126.376,911 2.757,913 265.342,914 257.237,915 146.528,918 237.246,919 41.545,920 106.283,921 36.022,922 248.011,923 235.422,924 287.157,925 146.528,927 0.59,928 0.335,929 0.163,930 0.093,931 24,932 14,933 0.167,934 11,936 1,937 4.538,938 377.998,940 18,941 198.131,945 29.465,946 12.636,947 7.487,949 287.157,950 14.756,955 1.714,957 111.602,958 669.106,959 54,964 61.226,966 1.131,967 4.153,968 -7.628,969 66.218,970 72.995,971 0.304,972 0.676,973 0.833,974 0.918,975 0.941,976 0.941,977 5.268,978 2.06,979 6.159,980 5.872,981 4.762,982 5.22,983 3.887,984 7.008,985 4.709,986 6.487,987 1.7,988 7.762,989 5.283,990 4.575,991 5.085,992 3.937,993 8.204,994 4.451,995 7.805,996 1.556,997 9.481,998 4.796,999 6.431,1000 7.287,1001 5.559,1002 11.282,1003 6.295,1004 9.155,1005 1.414,1006 11.273,1007 4.035,1008 7.04,1009 7.874,1010 6.433,1011 13.348,1012 6.811,1013 10.535,1014 1.376,1015 13.116,1016 3.659,1017 8.45,1018 9.626,1019 7.743,1020 16.058,1021 8.192,1022 11.938,1023 1.126,1024 14.998,1025 3.048,1026 9.408,1027 10.544,1028 8.888,1029 18.452,1030 9.051,1031 13.359,1032 1,1033 16.91,1034 2.542,1035 10.676,1036 12.11,1037 10.145,1038 21.067,1039 10.271,1040 3.517,1041 0.702,1042 18.845,1043 2.136,1044 11.788,1045 13.201,1046 11.37,1047 23.583,1048 11.288,1049 3.173,1050 13.509,1051 20.799,1052 1.805,1053 13.018,1054 14.673,1055 12.623,1056 26.175,1057 12.453,1058 2.695,1059 10.975,1060 22.768,1061 3.937,1062 14.197,1063 15.864,1064 13.871,1065 28.738,1066 13.544,1067 2.646,1068 8.351,1069 24.749,1070 3.813,1071 15.422,1072 17.284,1073 15.126,1074 31.328,1075 14.697,1076 2.391,1077 8.231,1078 26.74,1079 3.518,1080 16.633,1081 18.535,1082 16.382,1083 33.91,1084 15.823,1085 2.252,1086 6.736,1087 28.738,1088 3.451,1089 17.861,1090 19.925,1091 17.639,1092 36.503,1093 16.976,1094 2.202,1095 6.363,1096 30.743,1097 2.94,1098 19.088,1099 21.214,1100 18.897,1101 39.094,1102 18.121,1103 20914,1104 40459,1105 25.66,1106 42.006,1107 63.082,1108 64.934,1109 64.238,1110 61.273,1111 61.114,1112 77.485,1113 27.521,1114 178.182,1115 59.579,1116 5.604,1117 6.65,1118 7.47,1119 5.518,1120 5.517,1121 6.937,1122 5.246,1123 21.66,1124 5.27,1125 26.608,1126 1.539,1127 1.584,1128 1.567,1129 1.494,1130 1.491,1131 1.89,1132 0.671,1133 4.346,1134 1.453,1135 4.006,1136 4.041,1137 3.958,1138 3.913,1139 8.363,1140 3.915,1141 3.932,1142 3.963,1143 3.873,1144 3.863,1145 7.999,1146 3.858,1147 3.793,1148 3.825,1149 3.752,1150 3.62,1151 7.475,1152 3.648,1153 3.759,1154 3.792,1155 3.711,1156 3.562,1157 7.436,1158 3.599,1159 3.605,1160 3.647,1161 3.531,1162 3.361,1163 7.426,1164 3.396,1165 3.461,1166 3.484,1167 3.412,1168 3.211,1169 7.423,1170 3.249,1171 3.276,1172 3.322,1173 3.183,1174 3.07,1175 7.411,1176 3.088,1177 3.195,1178 3.269,1179 3.061,1180 3.047,1181 6.351,1182 3.038,1183 0.113,1184 0.113,1185 0.187,1186 0.109,1187 0.086,1188 4.631,1189 0.096,1190 4.65,1191 0.086,1192 7.668,1193 0.329,1194 4.449,1195 0.08,1196 3.517,1197 3.937,1198 3.524,1199 13.509,1200 3.27,1201 1.945,1202 1.918,1203 2.057,1204 2.059,1205 1.244,1206 2.052,1207 1.927,1208 1.898,1209 2.05,1210 2.022,1211 1.161,1212 2.031,1213 1.71,1214 1.673,1215 1.823,1216 1.905,1217 0.952,1218 1.887,1219 1.648,1220 1.621,1221 1.757,1222 1.878,1223 0.881,1224 1.841,1225 1.497,1226 1.453,1227 1.681,1228 1.763,1229 0.813,1230 1.738,1231 1.334,1232 1.301,1233 1.537,1234 1.607,1235 0.63,1236 1.565,1237 1.215,1238 1.157,1239 1.526,1240 1.454,1241 0.568,1242 1.465,1243 1.185,1244 1.138,1245 1.331,1246 1.416,1247 0.41,1248 1.422,1249 4.419,1251 5.753,1253 7.272,1255 8.877,1257 10.529,1259 1.808,1261 29.488,1263 5.698,1264 8.648,1265 -2.276,1266 3.653,1270 -1.905,1271 0.946,1272 -4.662,1273 41.957,1274 116.573,1275 259.422,1276 319.961,1277 352.49,1278 361.245,1279 361.245,1280 170.406,1281 7.55,1282 173.48,1283 173.48,1284 18,1285 12.801,1286 4.322,1287 3.807,1288 83.172,1289 178,1290 189,1291 0.22,1292 260.28,1293 485.04,1294 626.844,1295 19079,1296 3.1,1297 28.742,1298 0.737,1299 0.53,1300 26.949,1301 20.688,1302 18.395,1303 0.449,1304 0.282,1305 11.352,1306 17.49,1307 11.143,1308 9.202,1309 17.634,1310 11.577,1311 17.332,1312 0.299,1313 0.149,1314 16.139,1315 8.623,1316 13.729,1317 0.191,1318 0.078,1319 12.217,1320 5.581,1321 10.034,1322 0.117,1323 0.043,1324 9.641,1325 3.709,1326 8.045,1327 0.076,1328 0.023,1329 7.966,1330 2.41,1331 0.342,1332 117.475,1333 0.197,1334 34.774,1335 0.613,1336 198,1337 838.318,1338 231.167,1339 744.146,1340 949.89,1341 682,1342 229,1343 643.372,1344 261.925,1345 634.283,1346 934.3,1347 593,1348 5.738}
{0 CHEMBL45343,1 1.726,2 8.583,3 5.874,4 34.509,5 105.158,6 11.568,7 0.444,8 3.661,9 3.701,10 3.691,11 3.52,12 4.857,13 3.434,14 4.167,15 4.241,16 4.2,17 3.973,18 5.375,19 3.868,20 4.344,21 4.392,22 4.374,23 4.083,24 5.652,25 3.96,26 4.411,27 4.505,28 4.479,29 4.063,30 5.758,31 3.928,32 4.367,33 4.449,34 3.974,35 3.827,36 5.844,37 3.683,38 3.9,39 3.98,40 3.941,41 3.59,42 5.366,43 3.478,44 3.954,45 4.007,46 3.906,47 3.59,48 5.342,49 3.469,50 3.917,51 4.029,52 3.562,53 3.335,54 5.382,55 3.246,56 0.057,57 0.296,58 0.774,59 2.02,60 5.938,61 2.537,62 0.135,63 0.561,64 5.974,65 4.534,66 19.273,67 5.452,68 0.244,69 0.676,70 15.664,71 6.458,72 27.767,73 5.82,74 0.256,75 0.794,76 16.065,77 7.297,78 25.609,79 7.557,80 0.597,81 0.809,82 27.101,83 8.821,84 105.852,85 6.395,86 0.266,87 0.473,88 10.026,89 4.577,90 36.237,91 4.588,92 0.191,93 0.512,94 20.081,95 5.774,96 21.235,97 4.329,98 0.408,99 0.454,100 5.018,101 3.767,102 69.997,103 3.413,105 37,106 42,107 0.313,108 0.647,109 0.668,110 0.689,111 0.689,112 0.689,113 3.23,114 1.061,115 -6.03,116 -5.88,117 -5.47,120 52.9,121 2,138 2,140 4,141 4,142 4,152 2,165 6,168 2,176 18,182 4,190 7,195 8,203 14,206 1,207 2,215 5,220 6,227 8,231 4,239 10,245 2,253 10,266 8,270 700,271 15.671,272 15.671,273 15.671,274 15.671,275 15.671,276 13.645,277 15.278,278 8.674,279 16.202,280 13.291,281 13.291,282 13.291,283 13.291,284 13.291,285 10.025,286 15.435,287 4.111,288 14.279,289 3.361,290 1.515,291 1.397,292 1.28,293 1.28,294 1.28,295 3.917,298 2,302 1,303 450,304 2.449,306 84.676,307 115.421,310 168.013,313 1.25,314 31.344,317 0.75,318 0.67,319 1,320 0.4,321 0.5,322 1,323 1,324 0.76,325 50.667,326 206,327 4.719,328 4.816,329 7.042,330 4.337,331 3.375,332 4.355,333 2.95,334 12.027,335 3.249,336 4.517,337 4.502,338 6.812,339 4.146,340 3.17,341 4.19,342 2.95,343 11.167,344 3.095,345 4.063,346 3.434,347 6.171,348 3.581,349 2.633,350 3.592,352 8.902,353 2.481,354 3.661,355 3.341,356 5.387,357 3.223,358 2.293,359 3.013,361 6.625,362 2.113,363 3.446,364 3.241,365 5.165,366 2.985,367 2.081,368 2.747,370 6.136,371 1.833,372 3.299,373 3.05,374 5.106,375 2.913,376 1.98,377 2.549,379 5.905,380 1.818,381 3.237,382 2.793,383 5,384 2.788,385 1.866,386 2.48,388 5.657,389 1.662,390 3.027,391 2.634,392 4.849,393 2.569,394 1.615,395 2.119,397 4.853,398 1.443,399 2.729,400 2.332,401 4.351,402 2.227,403 1.261,404 1.649,406 3.502,407 1.154,408 1.948,409 2.287,410 3.963,411 1.659,412 0.824,413 0.895,415 2.502,416 0.664,417 1.356,418 1.03,419 2.917,420 0.847,421 -0.153,422 -0.211,424 -0.389,425 -0.13,426 1.249,427 0.966,428 2.726,429 0.791,430 -0.179,431 -0.234,433 -0.46,434 -0.146,435 1.083,436 0.395,437 2.719,438 0.667,439 -0.276,440 -0.371,442 -0.793,443 -0.251,444 0.921,445 0.377,446 2.533,447 0.493,448 -0.454,449 -0.576,451 -1.162,452 -0.382,453 0.619,454 0.006,455 2.445,456 0.191,457 -0.608,458 -0.705,460 -1.438,461 -0.437,462 12.762,463 0.532,464 0.895,465 0.037,466 32,467 1.333,468 17.5,469 0.729,470 14.5,471 0.604,472 22.135,473 0.922,474 23.238,475 0.683,476 21.5,477 0.896,478 5.852,479 0.244,480 5.511,481 0.23,482 0.243,484 0.47,490 0.479,491 0.706,492 0.561,493 0.618,494 0.508,495 0.629,496 0.558,497 0.658,498 0.608,499 0.601,500 0.525,501 0.538,502 0.964,503 1.037,504 1.063,505 1.121,506 0.999,507 0.988,508 0.814,509 1.121,510 0.638,511 0.937,512 0.917,513 0.863,514 1.978,515 1.145,516 1.715,517 1.444,518 2.087,519 1.335,520 0.637,521 0.83,522 0.854,523 0.966,524 0.727,525 0.702,526 1.198,527 1.471,528 1.187,529 1.507,530 1.287,531 1.204,532 1.445,533 0.924,534 0.82,535 0.733,536 1.731,537 1.127,538 6,539 0.057,540 3.111,541 3.708,542 2.029,543 1.001,544 0.578,545 0.445,546 0.248,547 0.149,548 5701,549 21372,550 2.06,551 29.4,552 6,553 4,560 1.673,561 1.846,562 3.078,563 -0.74,569 58.696,570 1.726,571 3.572,572 3.69,573 3.808,574 3.808,575 3.808,576 2.459,577 3.585,578 4.559,579 3.189,580 880.028,581 7.89,582 9767.6,587 172.974,588 1.5,589 4.476,590 0.222,591 0.009,592 0.074,593 0.084,594 0.048,595 0.035,596 0.021,597 0.017,598 0.014,599 0.011,600 0.536,601 0.5,602 0.88,603 0.691,604 110.847,605 -0.005,606 0.075,607 0.005,608 0.059,609 -0.046,610 0.05,611 0.026,612 0.222,613 0.128,614 0.24,615 0.047,616 0.293,617 -0.085,618 -0.129,619 -0.125,620 -0.183,621 -0.12,622 -0.18,623 0.096,624 -0.129,625 0.286,626 0.088,627 0.072,628 0.096,629 -0.415,630 -0.064,631 -0.562,632 -0.29,633 -0.304,634 -0.367,635 0.304,636 0.167,637 0.115,638 0.083,639 0.282,640 0.234,641 -0.147,642 -0.476,643 -0.195,644 -0.422,645 -0.096,646 -0.333,647 -0.054,648 0.008,649 -0.05,650 0.031,651 -0.162,652 -0.214,653 1.767,654 5.851,655 0.75,656 16.167,657 1.022,658 1.078,659 4.799,660 23.028,661 0.838,662 3.332,663 3.761,664 4.111,665 4.489,666 4.682,667 4.89,668 5.017,669 5.176,670 5.268,671 5.283,672 5.106,673 0.783,674 393.32,675 3.332,676 4.934,677 5.838,678 6.779,679 7.697,680 8.642,681 9.566,682 10.512,683 11.441,684 12.387,699 4,704 8,706 12,708 2,719 2,720 34,723 15,724 2,725 27,727 37,728 18,729 12,730 8,731 4,732 4,735 4,736 6,737 2,741 2,749 16,750 2,754 3,759 2,763 4,768 10,769 2,771 6,772 4,780 0.5,781 2,788 2,789 2,792 2,805 2,813 2,814 2,815 2,817 2,818 2,821 24,831 2,839 2,840 5.9,843 2,847 13,848 7.286,849 5,850 2.051,851 3.164,852 1.415,853 1.037,854 3.846,855 10.793,856 3.611,857 4.304,858 4.938,859 5.562,860 6.061,861 6.45,862 6.771,863 7.199,864 7.555,865 7.891,866 0.833,867 44,868 8.926,870 4.048,871 7.912,872 16.757,874 14.515,877 2.412,878 57.889,882 117.711,883 156.208,885 78.297,886 50.29,888 64.439,889 91.769,890 246.298,892 17.65,894 37.905,895 63.658,896 22.845,898 182.15,899 78.297,900 117.711,901 91.769,902 50.29,903 142.736,905 117.711,906 50.29,909 17.65,910 71.017,911 81.399,912 64.439,913 117.711,914 50.29,915 234.505,918 117.711,919 100.652,920 55.555,922 128.587,923 117.711,924 50.29,925 234.505,927 0.611,928 0.372,929 0.218,930 0.11,931 24,932 12,935 2,936 1.222,937 3.412,938 216.317,939 0.222,940 18,941 86.039,942 2,945 16.283,946 5.669,947 2.479,949 50.29,950 7.099,955 5.758,958 402.506,959 36,964 25.702,968 0.766,969 34.756,970 36.638,971 0.339,972 0.702,973 0.725,974 0.748,975 0.748,976 0.748,977 4.913,978 1.615,979 5.889,980 5.657,981 4.443,982 4.99,983 3.578,984 6.812,985 4.317,986 6.185,987 1.261,988 7.522,989 4.853,990 4.29,991 5.056,993 7.888,994 4.111,995 7.548,996 0.824,997 9.25,998 3.502,999 6.151,1000 7.271,1001 5.717,1002 11.061,1003 5.956,1004 8.944,1005 -0.153,1006 11.031,1007 2.502,1008 6.758,1009 8.07,1011 12.952,1012 6.533,1013 10.367,1014 -0.179,1015 12.847,1016 -0.389,1017 8.172,1018 9.834,1019 7.878,1020 15.665,1021 7.928,1022 11.812,1023 -0.276,1024 14.687,1025 -0.46,1026 9.119,1027 10.973,1029 17.897,1030 8.848,1031 13.274,1032 -0.454,1033 16.547,1034 -0.793,1035 10.38,1036 12.559,1037 10.041,1038 20.449,1039 10.086,1040 3.375,1041 -0.608,1042 18.423,1043 -1.162,1044 11.472,1045 13.861,1047 22.82,1048 11.149,1049 3.17,1050 12.027,1051 20.31,1052 -1.438,1053 12.683,1054 15.372,1055 12.204,1056 25.315,1057 12.333,1058 2.633,1059 11.167,1060 22.207,1061 4.355,1062 13.836,1063 16.751,1065 27.741,1066 13.454,1067 2.293,1068 8.902,1069 24.112,1070 4.19,1071 15.033,1072 18.23,1073 14.368,1074 30.217,1075 14.621,1076 2.081,1077 6.625,1078 26.024,1079 3.592,1080 16.211,1081 19.647,1083 32.667,1084 15.765,1085 1.98,1086 6.136,1087 27.94,1088 3.013,1089 17.406,1090 21.112,1091 16.532,1092 35.137,1093 16.927,1094 1.866,1095 5.905,1096 29.861,1097 2.747,1098 18.595,1099 22.548,1101 37.598,1102 18.082,1103 5497,1104 10756,1105 17.342,1106 28.489,1107 42.669,1108 50.115,1109 45.468,1110 42.339,1111 42.192,1112 55.178,1113 11.8,1114 134.553,1115 39.024,1116 5.539,1117 6.816,1118 6.042,1119 5.507,1120 5.375,1121 7.355,1122 5.9,1123 19.818,1124 5.249,1125 14.596,1126 1.58,1127 1.856,1128 1.684,1129 1.568,1130 1.563,1131 2.044,1132 0.437,1133 4.983,1134 1.445,1135 4.053,1136 4.05,1137 4.274,1138 4.059,1139 7.433,1140 4.022,1141 3.93,1142 3.938,1143 4.085,1144 3.914,1145 7.422,1146 3.893,1147 3.523,1148 3.522,1149 3.817,1150 3.497,1151 4.926,1152 3.464,1153 3.18,1154 3.25,1155 3.614,1156 3.099,1157 4.901,1158 3.071,1159 3.177,1160 3.245,1161 3.275,1162 3.063,1163 4.362,1164 3.032,1165 3.173,1166 3.159,1167 3.224,1168 3.061,1169 4.276,1170 3.024,1171 2.636,1172 2.679,1173 2.95,1174 2.543,1175 4.004,1176 2.52,1177 2.635,1178 2.677,1179 2.869,1180 2.487,1181 3.823,1182 2.46,1183 0.175,1184 0.178,1185 0.261,1186 0.161,1187 0.125,1188 4.719,1189 0.161,1190 4.816,1191 0.109,1192 7.042,1193 0.445,1194 4.337,1195 0.12,1196 3.375,1197 4.355,1198 2.95,1199 12.027,1200 3.249,1201 1.899,1202 1.888,1203 1.969,1204 1.958,1205 1.151,1206 1.969,1207 1.895,1208 1.884,1209 1.961,1210 1.947,1211 1.149,1212 1.963,1213 1.548,1214 1.572,1215 1.495,1216 1.591,1217 0.763,1218 1.595,1219 1.204,1220 1.148,1221 1.494,1222 1.387,1223 0.596,1224 1.44,1225 1.176,1226 1.103,1227 1.454,1228 1.384,1229 0.575,1230 1.432,1231 0.99,1232 0.991,1233 1.029,1234 1.206,1235 0.128,1236 1.146,1237 0.869,1238 0.878,1239 0.948,1240 0.909,1241 0.123,1242 0.964,1243 0.701,1244 0.686,1245 0.93,1246 0.834,1247 0.027,1248 0.893,1249 4.007,1251 5.407,1252 3.045,1253 6.991,1254 5.533,1255 8.667,1256 7.743,1257 10.391,1259 3.72,1260 12.192,1268 2.651,1273 26.62,1274 58.696,1275 121.464,1276 125.464,1277 129.464,1278 129.464,1279 129.464,1280 48.31,1281 7.629,1282 34.14,1283 90.62,1284 22,1285 12.881,1286 4,1287 3.322,1288 33.718,1289 74,1290 68,1291 0.234,1292 174.433,1293 309.98,1294 417.375,1295 19278,1296 5.9,1297 17.171,1298 0.715,1299 0.66,1300 18.878,1301 15.843,1302 11.363,1303 0.421,1304 0.354,1305 7.337,1306 9.755,1307 6.842,1308 5.614,1309 12.757,1310 9.551,1311 11.3,1312 0.269,1313 0.207,1314 13.348,1315 8.69,1316 9.626,1317 0.16,1318 0.114,1319 11.827,1320 6.862,1321 9.284,1322 0.105,1323 0.071,1324 12.282,1325 6.215,1326 6.548,1327 0.061,1328 0.038,1329 8.959,1330 4.06,1331 0.352,1332 83.849,1333 0.24,1334 22.65,1335 0.69,1336 138,1337 417.599,1338 224.492,1339 509.705,1340 674.76,1341 472,1342 171,1343 414.484,1344 249.176,1345 476.202,1346 712.52,1347 448,1348 4.301}
{0 CHEMBL45494,1 1.655,2 12.933,3 7.625,4 58.138,5 122.482,6 10.053,7 0.727,8 3.914,9 3.98,10 3.773,11 3.675,12 5.148,13 3.621,14 4.353,15 4.435,16 4.19,17 4.064,18 5.678,19 3.984,20 4.615,21 4.746,22 4.232,23 4.186,24 5.81,25 4.067,26 4.588,27 4.739,28 4.023,29 4.06,30 5.753,31 3.953,32 4.528,33 4.692,34 4.102,35 4.033,36 5.727,37 3.953,38 4.57,39 4.718,40 4.088,41 4.055,42 5.817,43 3.973,44 4.62,45 4.782,46 4.022,47 3.988,48 5.901,49 3.885,50 4.467,51 4.652,52 3.92,53 3.826,54 5.663,55 3.694,56 0.057,57 0.464,58 4.31,59 3.267,60 9.294,61 3.79,62 0.159,63 0.749,64 7.577,65 5.45,66 30.091,67 6.421,68 0.236,69 1.075,70 24.39,71 9.326,72 29.601,73 9.981,74 0.318,75 1.089,76 24.864,77 9.11,78 45.438,79 9.367,80 0.266,81 1.016,82 17.848,83 7.604,84 34.912,85 9.217,86 0.177,87 0.993,88 13.887,89 7.681,90 21.314,91 9.519,92 0.343,93 1.056,94 20.899,95 9.368,96 55.913,97 10.203,98 0.356,99 0.929,100 22.244,101 8.662,102 60.691,103 9.514,105 18,106 46,107 0.279,108 0.479,109 0.591,110 0.739,111 0.806,112 0.821,113 3.44,114 0.964,115 -5.5,116 -5.37,117 -5.02,120 53.3,140 14,141 3,142 4,144 2,153 1,162 1,164 1,165 12,166 1,168 5,171 1,173 1,176 21,177 2,182 7,187 2,190 20,195 4,196 1,203 17,204 2,206 1,207 2,210 1,212 2,215 21,216 4,220 6,225 4,227 20,228 4,231 4,236 4,239 14,245 2,253 12,254 2,258 4,263 2,266 9,270 1600,271 20.118,272 20.118,273 20.118,274 20.118,275 20.118,276 17.128,277 8.974,278 11.799,279 20.636,280 16.292,281 16.292,282 16.292,283 16.292,284 16.292,285 11.843,286 5.306,287 5.671,288 17.293,289 3.836,290 2.652,291 1.985,292 1.111,293 0.711,294 0.622,295 4.137,298 2,302 1,303 839,304 2.915,307 418.572,313 1.947,314 27.085,317 0.75,318 0.83,319 1,320 0.4,322 1,323 1,324 0.71,325 63.167,326 388,327 4.43,328 4.553,329 6.351,330 4.037,331 3.055,332 4.129,333 2.95,334 9.805,335 2.998,336 4.139,337 3.583,338 6.026,339 3.733,340 2.769,341 3.748,342 1.437,343 8.673,344 2.694,345 4.038,346 3.145,347 5.824,348 3.611,349 2.662,350 3.625,352 7.899,353 2.564,354 3.955,355 3.004,356 5.587,357 3.54,358 2.571,359 3.491,361 7.67,362 2.393,363 3.703,364 2.876,365 5.161,366 3.253,367 2.336,368 3.077,370 6.431,371 2.127,372 3.612,373 2.834,374 5.04,375 3.149,376 2.252,377 2.981,379 6.071,380 1.958,381 3.338,382 2.595,383 4.816,384 2.852,385 1.956,386 2.634,388 5.475,389 1.658,390 3.026,391 1.981,392 4.473,393 2.519,394 1.559,395 2.221,397 4.397,398 1.459,399 2.68,400 1.48,401 4.142,402 2.178,403 1.211,404 1.762,406 3.486,407 1.15,408 2.587,409 1.352,410 3.697,411 2.035,412 1.052,413 1.533,415 2.619,416 1.013,417 2.5,418 1.082,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.414,438 2,439 1,440 1.5,442 2.275,443 1,444 1.515,445 1,446 2.971,447 1.091,448 0.249,449 0.303,451 0.613,452 0.193,453 1.18,454 0.602,455 2.678,456 0.724,457 -0.15,458 -0.189,460 -0.34,461 -0.106,462 15.329,463 0.511,464 0.784,465 0.026,466 44,467 1.467,468 26,469 0.867,470 18,471 0.6,472 22.035,473 0.734,474 29.071,475 0.646,476 32.978,477 1.099,478 8.698,479 0.29,480 5.777,481 0.193,482 0.137,484 0.326,490 0.653,491 0.83,492 0.557,493 0.666,494 0.712,495 0.683,496 0.49,497 1.037,498 0.679,499 0.839,500 0.412,501 0.873,502 0.894,503 1.143,504 1.221,505 1.209,506 0.726,507 1.091,508 1.126,509 1.099,510 1.168,511 1.155,512 1.111,513 1.1,514 0.531,515 0.881,516 0.425,517 0.716,518 0.636,519 0.832,520 0.655,521 1.125,522 0.576,523 0.993,524 0.748,525 1.062,526 1.367,527 1.04,528 0.842,529 0.964,530 1.601,531 1.053,532 1.427,533 0.896,534 0.964,535 0.826,536 1.611,537 0.924,538 7,539 0.182,540 3.333,541 1.188,542 1.56,543 1.361,544 0.725,545 0.503,546 0.365,547 0.178,548 12501,549 44328,550 2.087,551 33.3,553 14,556 1,560 1.727,561 1.957,562 3.606,563 -0.382,569 74.491,570 1.655,571 2.839,572 3.507,573 4.381,574 4.781,575 4.87,576 3.089,577 4.123,578 4.873,579 3.782,580 1645.25,581 8.499,582 23246,587 247.133,588 1.4,589 4.839,590 0.212,591 0.008,592 0.072,593 0.026,594 0.039,595 0.032,596 0.017,597 0.014,598 0.013,599 0.007,600 0.44,601 0.33,602 0.88,603 0.715,604 155.487,605 -0.055,606 0.055,607 0.005,608 0.079,609 -0.123,610 0.055,611 0.137,612 -0.114,613 0.013,614 -0.017,615 0.195,616 -0.081,617 -0.115,618 -0.124,619 -0.202,620 -0.178,621 -0.021,622 -0.146,623 -0.204,624 -0.035,625 -0.252,626 -0.154,627 -0.196,628 -0.143,629 0.157,630 0.145,631 0.18,632 0.134,633 0.091,634 0.112,635 0.089,636 -0.187,637 0.056,638 -0.144,639 0.096,640 -0.124,641 -0.159,642 -0.075,643 -0.017,644 0.015,645 -0.155,646 -0.043,647 -0.178,648 0.108,649 0.068,650 0.237,651 -0.228,652 0.162,653 2.663,654 4.642,655 0.8,656 33.778,657 1.012,658 1.09,659 4.268,660 18.213,661 0.786,662 3.526,663 3.85,664 4.078,665 4.304,666 4.615,667 4.663,668 4.796,669 4.92,670 5.03,671 5.106,672 7.327,673 0.745,674 452.37,675 3.526,676 5.069,677 5.905,678 6.772,679 7.628,680 8.497,681 9.361,682 10.233,683 11.102,684 11.975,685 2.2,695 1,699 14,700 1,704 9,706 24,711 1,719 2,720 45,723 25,724 3,725 33,727 48,728 24,729 23,730 6,731 12,732 1,735 4,736 4,737 2,749 24,754 1,759 1,763 1,768 15,769 3,770 1,771 6,772 3,775 1,780 1,781 2,785 1,789 4,811 1,813 4,814 1,815 1,818 2,821 30,827 1,831 1,839 2,840 4.4,842 1,843 1,847 15.333,848 8.186,849 6.5,850 2.534,851 4.244,852 1.549,853 1,854 6.211,855 11.974,856 3.85,857 4.477,858 5.047,859 5.619,860 6.249,861 6.496,862 6.956,863 7.394,864 7.83,865 8.211,866 0.889,867 46,868 11.027,870 4.723,871 7.857,872 20.734,874 16.975,877 2.357,878 70.722,882 164.795,883 190.97,884 16.786,885 78.297,886 67.828,888 32.22,889 158.75,890 310.921,891 16.786,894 132.667,895 85.524,896 25.173,898 197.015,899 78.297,900 164.795,901 175.536,902 67.828,903 110.517,905 164.795,906 67.828,909 5.513,910 153.237,911 95.083,912 32.22,913 164.795,914 84.614,915 269.267,918 164.795,919 58.302,920 132.667,922 162.911,923 164.795,924 84.614,925 269.267,927 0.586,928 0.328,929 0.165,930 0.103,931 22,932 10,933 0.104,934 5,936 1,937 4.185,938 264.257,940 24,941 135.207,942 1,945 20.641,946 9.028,947 5.119,949 84.614,950 25.848,951 4.681,955 6.482,957 42.683,958 518.676,959 46,964 11.642,968 -0.997,969 45.549,970 49.047,971 0.301,972 0.517,973 0.639,974 0.798,975 0.871,976 0.887,977 5.069,978 1.559,979 5.889,980 5.475,981 4.533,982 5.165,983 3.115,984 6.658,985 4.425,986 6.29,987 1.211,988 7.425,989 4.397,990 4.111,991 4.902,993 7.448,994 3.887,995 7.591,996 1.052,997 9.052,998 3.486,999 6.098,1000 7.354,1001 5.081,1002 10.489,1003 5.914,1004 8.923,1005 1,1006 10.73,1007 2.619,1008 6.431,1009 7.831,1011 12.059,1012 6.162,1013 10.279,1014 1,1015 12.44,1016 2.275,1017 7.907,1018 9.773,1019 7.198,1020 14.61,1021 7.668,1022 11.653,1023 1,1024 14.173,1025 2.275,1026 8.595,1027 10.62,1029 16.531,1030 8.302,1031 13.042,1032 0.249,1033 15.922,1034 2.275,1035 9.848,1036 12.314,1037 9.351,1038 18.894,1039 9.57,1040 3.055,1041 -0.15,1042 17.683,1043 0.613,1044 10.721,1045 13.374,1047 20.986,1048 10.409,1049 2.769,1050 9.805,1051 19.454,1052 -0.34,1053 11.872,1054 14.933,1055 11.512,1056 23.277,1057 11.564,1058 2.662,1059 8.673,1060 21.233,1061 4.129,1062 12.844,1063 16.123,1065 25.454,1066 12.513,1067 2.571,1068 7.899,1069 23.019,1070 3.748,1071 13.952,1072 17.606,1073 13.675,1074 27.72,1075 13.617,1076 2.336,1077 7.67,1078 24.811,1079 3.625,1080 14.978,1081 18.876,1083 29.94,1084 14.626,1085 2.252,1086 6.431,1087 26.608,1088 3.491,1089 16.069,1090 20.317,1091 15.838,1092 32.2,1093 15.71,1094 1.956,1095 6.071,1096 28.409,1097 3.077,1098 17.125,1099 21.638,1101 34.443,1102 16.751,1103 11889,1104 22524,1105 22.076,1106 35.369,1107 50.016,1108 53.141,1109 50.603,1110 49.696,1111 49.349,1112 68.011,1113 8.773,1114 139.928,1115 46.414,1116 5.192,1117 6.553,1118 5.765,1119 5.153,1120 5.055,1121 7.129,1122 5.9,1123 16.286,1124 4.998,1125 14.877,1126 1.516,1127 1.61,1128 1.533,1129 1.506,1130 1.495,1131 2.061,1132 0.266,1133 4.24,1134 1.406,1135 4.044,1136 4.065,1137 4.126,1138 3.996,1139 7.475,1140 3.987,1141 3.905,1142 3.921,1143 4.023,1144 3.886,1145 6.351,1146 3.86,1147 3.838,1148 3.86,1149 3.908,1150 3.795,1151 4.987,1152 3.785,1153 3.703,1154 3.721,1155 3.788,1156 3.63,1157 4.934,1158 3.627,1159 3.238,1160 3.226,1161 3.49,1162 3.081,1163 4.836,1164 3.044,1165 3.027,1166 3.037,1167 3.346,1168 2.978,1169 4.608,1170 2.98,1171 2.872,1172 2.925,1173 3.135,1174 2.808,1175 4.296,1176 2.789,1177 2.854,1178 2.925,1179 2.94,1180 2.735,1181 4.236,1182 2.715,1183 0.134,1184 0.138,1185 0.192,1186 0.122,1187 0.093,1188 4.43,1189 0.125,1190 4.553,1191 0.089,1192 6.351,1193 0.297,1194 4.037,1195 0.091,1196 3.055,1197 4.129,1198 2.95,1199 9.805,1200 2.998,1201 1.997,1202 1.978,1203 2.061,1204 2.072,1205 1.184,1206 2.073,1207 1.901,1208 1.886,1209 1.968,1210 1.948,1211 1.101,1212 1.973,1213 1.836,1214 1.816,1215 1.926,1216 1.9,1217 1.033,1218 1.919,1219 1.678,1220 1.659,1221 1.769,1222 1.781,1223 0.859,1224 1.782,1225 1.056,1226 1.063,1227 1.181,1228 1.366,1229 0.308,1230 1.283,1231 1.007,1232 0.997,1233 1.181,1234 1.069,1235 0.218,1236 1.107,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.886,1244 0.821,1245 1.114,1246 1.062,1247 0.218,1248 1.107,1249 4.205,1251 5.525,1253 7.034,1255 8.622,1257 10.252,1260 11.904,1264 9.538,1268 1.624,1273 33.508,1274 74.491,1275 127.773,1276 157.83,1277 197.133,1278 215.133,1279 219.133,1280 50.999,1281 7.729,1282 50.19,1283 75.49,1284 24,1285 12.517,1286 4.7,1287 3.807,1288 47.122,1289 129,1290 150,1291 0.174,1292 215.94,1293 373.91,1294 518.654,1295 24849,1296 4.4,1297 21.087,1298 0.703,1299 0.596,1300 22.441,1301 17.878,1302 14.474,1303 0.439,1304 0.321,1305 9.117,1306 13.167,1307 8.765,1308 7.23,1309 15.46,1310 10.602,1311 13.394,1312 0.291,1313 0.186,1314 14.905,1315 8.539,1316 10.847,1317 0.187,1318 0.102,1319 12.166,1320 5.931,1321 8.458,1322 0.116,1323 0.054,1324 9.499,1325 3.971,1326 7.598,1327 0.076,1328 0.031,1329 8.929,1330 3.149,1331 0.277,1332 98.842,1333 0.213,1334 28.605,1335 0.469,1336 158,1337 468.798,1338 221.144,1339 545.69,1340 722.27,1341 506,1342 183,1343 463.952,1344 228.214,1345 511.236,1346 742.94,1347 482,1348 5.699}
{0 CHEMBL457155,1 1.273,2 11.371,3 4.858,4 23.602,5 133.52,6 6.409,8 4.394,9 4.508,10 3.844,11 3.959,12 5.3,13 3.903,14 5.065,15 5.241,16 4.35,17 4.495,18 5.919,19 4.418,20 5.472,21 5.655,22 4.563,23 4.834,24 6.296,25 4.724,26 5.796,27 6.032,28 4.593,29 4.984,30 6.603,31 4.83,32 5.879,33 6.15,34 4.494,35 4.923,36 6.739,37 4.744,38 5.731,39 6.021,40 4.309,41 4.737,42 6.521,43 4.559,44 5.513,45 5.774,46 4.231,47 4.584,48 6.385,49 4.432,50 5.439,51 5.695,52 4.1,53 4.475,54 6.315,55 4.326,56 0.043,57 1,58 18.169,59 8.601,60 10.835,61 11.313,62 0.382,63 1.833,64 36.195,65 15.848,66 47.765,67 21.377,68 0.325,69 2.708,70 54.422,71 23.42,72 57.005,73 31.705,74 0.598,75 3.481,76 75.83,77 30.248,78 96.005,79 42.014,80 1.01,81 3.545,82 83.281,83 30.828,84 165.303,85 43.588,86 0.789,87 2.99,88 71.884,89 26.007,90 113.992,91 36.963,92 0.582,93 2.465,94 57.817,95 21.302,96 102.1,97 29.809,98 0.72,99 2.229,100 54.458,101 19.105,102 105.133,103 26.483,105 86,106 68,107 0.199,108 0.461,109 0.727,110 0.833,111 0.867,112 0.867,113 3.59,114 1.024,115 -6.14,116 -5.98,117 -5.56,120 40,121 6,122 7,123 4,124 4,128 2,135 2,136 2,151 1,153 2,165 25,167 2,168 9,176 41,182 12,190 48,195 14,203 42,206 2,207 16,215 30,220 15,227 25,231 16,239 21,245 12,253 20,258 10,266 13,270 1956,271 22.511,272 22.511,273 22.511,274 22.511,275 22.511,276 21.576,277 30.532,278 11.983,279 22.654,280 19.617,281 19.617,282 19.617,283 19.617,284 19.617,285 18.071,286 44.063,287 5.549,288 19.815,289 4.956,290 3.277,291 1.57,292 0.887,293 0.674,294 0.674,295 4.291,302 1,303 886,304 4.95,305 46.543,306 88.095,307 156.37,309 157.004,310 69.347,311 172.98,312 218.867,313 1.982,314 47.421,317 0.75,318 0.5,319 1,320 1,321 1,322 1,323 1,324 0.89,325 75,326 398,327 5.046,328 4.279,329 8.713,330 5.012,331 4.014,332 4.127,333 2.443,334 17.677,335 4.005,336 4.874,337 4.161,338 8.32,339 4.84,340 3.848,341 3.933,342 2.443,343 16.418,344 3.816,345 4.384,346 3.845,347 7.638,348 4.317,349 3.327,350 3.477,351 1.277,352 13.576,353 3.291,354 4.12,355 3.532,356 7.024,357 3.997,358 3.008,359 3.277,360 0.68,361 11.419,362 2.972,363 3.866,364 3.497,365 6.314,366 3.52,367 2.503,368 3.129,369 0.68,370 8.913,371 2.547,372 3.644,373 2.892,374 5.79,375 3.416,376 2.42,377 2.766,378 0.286,379 6.994,380 2.4,381 3.224,382 2.666,383 5.49,384 3.037,385 2.054,386 2.283,387 0.286,388 6.715,389 2.013,390 3.09,391 2.523,392 5.343,393 2.923,394 1.952,395 2.098,397 6.094,398 1.892,399 2.999,400 2.445,401 5.145,402 2.849,403 1.845,404 1.999,406 5.739,407 1.846,408 2.961,409 2.214,410 5.113,411 2.759,412 1.742,413 1.956,415 4.588,416 1.754,417 2.847,418 2.083,419 4.698,420 2.563,421 1.555,422 1.822,424 4.445,425 1.551,426 2.546,427 1.858,428 4.391,429 2.354,430 1.368,431 1.508,433 3.906,434 1.33,435 2.375,436 1.668,437 4.241,438 2.189,439 1.207,440 1.315,442 3.379,443 1.17,444 1.829,445 0.98,446 3.98,447 1.733,448 0.744,449 0.778,451 2.154,452 0.732,453 1.542,454 0.911,455 3.75,456 1.451,457 0.488,458 0.501,460 1.257,461 0.466,462 16.667,463 0.476,464 1.571,465 0.045,466 28.75,467 0.821,468 7,469 0.2,470 21.75,471 0.621,472 58.974,473 1.685,474 40.333,475 0.538,476 19.359,477 0.553,478 3.783,479 0.108,480 12.575,481 0.359,482 0.24,483 0.12,484 0.33,490 0.616,491 1.208,492 0.892,493 1.195,494 0.539,495 1.097,496 0.52,497 0.97,498 0.778,499 0.966,500 0.423,501 0.916,502 0.795,503 1.233,504 1.093,505 1.236,506 0.705,507 1.211,508 0.842,509 1.168,510 1.088,511 1.173,512 0.798,513 1.167,514 0.882,515 1.022,516 1,517 1.026,518 0.849,519 1.029,520 0.978,521 0.856,522 0.9,523 0.856,524 0.973,525 0.865,526 1.049,527 0.995,528 0.98,529 0.991,530 1.132,531 0.977,532 1.422,533 0.917,534 1.106,535 0.917,536 1.292,537 0.96,538 12,539 0.26,540 8.444,541 7.056,542 4.113,543 2.316,544 1.465,545 1.069,546 0.689,547 0.382,548 16057,549 34042,550 2.058,551 53.3,552 28,553 4,557 3,558 5,560 1.771,561 1.826,562 3.445,563 -0.85,569 95.468,570 1.273,571 2.952,572 4.659,573 5.342,574 5.555,575 5.555,576 2.983,577 4.844,578 5.094,579 3.615,580 2150.71,581 8.971,582 30439.9,587 467.161,588 1.911,589 4.993,590 0.3,591 0.01,592 0.128,593 0.09,594 0.055,595 0.036,596 0.027,597 0.021,598 0.016,599 0.011,600 0.694,601 0.33,602 0.63,603 1.237,604 183.516,605 0.009,606 0.031,607 0.074,608 0.038,609 -0.018,610 0.061,611 0.182,612 0.169,613 0.188,614 0.171,615 0.123,616 0.179,617 -0.057,618 -0.111,619 -0.128,620 -0.116,621 -0.043,622 -0.13,623 -0.051,624 -0.137,625 -0.126,626 -0.14,627 -0.033,628 -0.143,629 0.032,630 -0.06,631 -0.028,632 -0.06,633 0.049,634 -0.053,635 -0.039,636 0.077,637 0.074,638 0.083,639 -0.029,640 0.093,641 -0.048,642 -0.025,643 0.007,644 -0.019,645 -0.043,646 -0.001,647 -0.156,648 0.039,649 -0.082,650 0.032,651 -0.117,652 -0.008,653 1.847,654 5.938,655 0.629,656 36.606,657 0.991,658 1.125,659 4.91,660 24.113,661 0.633,662 3.714,663 4.234,664 4.663,665 5.037,666 5.342,667 5.613,668 5.922,669 6.148,670 6.372,671 6.578,672 6.6,673 0.588,674 480.7,675 3.714,676 5.38,677 6.333,678 7.327,679 8.305,680 9.304,681 10.293,682 11.295,683 12.29,684 13.293,720 75,723 5,725 40,727 80,728 30,732 3,735 6,736 21,741 6,742 4,744 4,745 8,746 4,748 9,749 7,750 23,751 4,754 5,759 3,761 2,763 5,768 40,769 5,771 5,780 0.167,781 5,787 1,788 2,789 3,791 2,792 1,793 2,794 2,798 1,803 2,805 2,806 2,813 1,817 6,821 35,828 7,830 2,833 6,835 4,840 6.7,843 3,845 2,847 19.167,848 15.25,849 7.049,850 5.063,851 0.752,852 1.079,853 0.914,854 4.937,855 10.249,856 3.829,857 4.394,858 4.852,859 5.263,860 5.591,861 5.905,862 6.28,863 6.554,864 6.815,865 7.06,866 0.875,867 78,868 13.28,870 6.272,871 7.667,872 26.222,874 25.07,877 2.167,878 75.833,882 470.844,883 115.533,886 97.435,889 115.533,890 568.279,892 52.951,893 17.742,894 18.952,895 94.951,896 28.371,898 470.844,900 470.844,901 115.533,902 97.435,905 411.989,906 156.29,909 70.693,910 25.887,911 18.952,913 470.844,914 97.435,915 115.533,918 470.844,919 43.629,920 71.904,922 97.435,923 470.844,924 97.435,925 115.533,927 0.631,928 0.393,929 0.213,930 0.111,931 41,932 19,933 0.038,934 3,935 5,936 1.455,937 4.125,938 396.185,939 0.455,940 22,941 175.525,945 23.805,946 7.259,947 2.807,949 97.435,958 683.811,959 45,964 38.311,966 4.14,968 2.353,969 74.309,970 84.351,971 0.204,972 0.474,973 0.748,974 0.858,975 0.892,976 0.892,977 5.257,978 1.952,979 6.469,980 6.715,981 4.92,982 5.081,983 3.266,984 7.565,985 4.902,986 6.525,987 1.845,988 8.229,989 6.094,990 5.094,991 5.263,992 2.882,993 9.297,994 5.083,995 7.936,996 1.742,997 10.114,998 5.739,999 6.893,1000 7.152,1001 4.588,1002 12.525,1003 6.863,1004 9.378,1005 1.555,1006 12.076,1007 4.588,1008 7.84,1009 8.071,1010 4.955,1011 15.028,1012 7.814,1013 10.859,1014 1.368,1015 14.088,1016 4.445,1017 9.284,1018 9.579,1019 6.196,1020 17.944,1021 9.246,1022 12.365,1023 1.207,1024 16.135,1025 3.906,1026 10.504,1027 10.778,1028 6.85,1029 20.677,1030 10.466,1031 13.891,1032 0.744,1033 18.205,1034 3.379,1035 11.869,1036 12.183,1037 7.906,1038 23.528,1039 11.824,1040 4.014,1041 0.488,1042 20.292,1043 2.154,1044 13.181,1045 13.489,1046 8.685,1047 26.332,1048 13.133,1049 3.848,1050 17.677,1051 22.392,1052 1.257,1053 14.535,1054 14.87,1055 9.658,1056 29.173,1057 14.482,1058 3.327,1059 16.418,1060 24.501,1061 4.127,1062 15.878,1063 16.221,1064 10.495,1065 32.003,1066 15.822,1067 3.008,1068 13.576,1069 26.617,1070 3.933,1071 17.236,1072 17.601,1073 11.427,1074 34.847,1075 17.176,1076 2.503,1077 11.419,1078 28.74,1079 3.477,1080 18.593,1081 18.973,1082 12.293,1083 37.689,1084 18.53,1085 2.42,1086 8.913,1087 30.867,1088 3.277,1089 19.956,1090 20.358,1091 13.205,1092 40.536,1093 19.89,1094 2.054,1095 6.994,1096 32.998,1097 3.129,1098 21.32,1099 21.741,1100 14.085,1101 43.384,1102 21.252,1103 15088,1104 22010,1105 25.255,1106 47.5,1107 65.158,1108 68.143,1109 70.044,1110 64.251,1111 64.313,1112 70.108,1113 16.19,1114 227.013,1115 63.728,1116 6.046,1117 6.279,1118 7.901,1119 6.125,1120 6.014,1121 6.625,1122 4.174,1123 27.559,1124 6.005,1125 23.151,1126 1.629,1127 1.704,1128 1.751,1129 1.606,1130 1.608,1131 1.753,1132 0.405,1133 5.675,1134 1.593,1135 4.166,1136 4.193,1137 4.094,1138 4.093,1139 7.437,1140 4.088,1141 3.991,1142 4.013,1143 3.922,1144 3.886,1145 7.431,1146 3.888,1147 3.793,1148 3.822,1149 3.715,1150 3.683,1151 7.425,1152 3.683,1153 3.681,1154 3.71,1155 3.596,1156 3.55,1157 4.658,1158 3.555,1159 3.501,1160 3.544,1161 3.391,1162 3.355,1163 4.545,1164 3.354,1165 3.416,1166 3.482,1167 3.253,1168 3.294,1169 4.385,1170 3.276,1171 3.336,1172 3.406,1173 3.166,1174 3.183,1175 4.358,1176 3.165,1177 3.226,1178 3.276,1179 3.075,1180 3.019,1181 4.071,1182 3.022,1183 0.126,1184 0.107,1185 0.218,1186 0.125,1187 0.1,1188 5.046,1189 0.103,1190 4.279,1191 0.061,1192 8.713,1193 0.442,1194 5.012,1195 0.1,1196 4.014,1197 4.127,1198 2.443,1199 17.677,1200 4.005,1201 2.083,1202 2.056,1203 2.215,1204 2.179,1205 1.667,1206 2.191,1207 1.877,1208 1.849,1209 2.035,1210 2.001,1211 1.465,1212 2.011,1213 1.775,1214 1.743,1215 1.953,1216 1.911,1217 1.296,1218 1.924,1219 1.643,1220 1.6,1221 1.852,1222 1.781,1223 1.088,1224 1.807,1225 1.527,1226 1.485,1227 1.761,1228 1.714,1229 1.042,1230 1.726,1231 1.452,1232 1.409,1233 1.699,1234 1.659,1235 0.995,1236 1.666,1237 1.396,1238 1.336,1239 1.675,1240 1.576,1241 0.936,1242 1.614,1243 1.245,1244 1.174,1245 1.563,1246 1.466,1247 0.808,1248 1.502,1249 4.394,1251 5.889,1252 3.045,1253 7.592,1254 5.638,1255 9.399,1256 7.934,1257 11.263,1259 13.191,1265 6.19,1267 11.577,1270 0.476,1272 -0.404,1273 44.11,1274 95.468,1275 221.376,1276 349.413,1277 400.632,1278 416.632,1279 416.632,1280 93.959,1281 9.497,1282 69.67,1283 69.67,1284 32,1285 13.751,1286 2.585,1287 2.585,1288 46.972,1289 138,1290 158,1291 0.173,1292 259.525,1293 484.15,1294 625,1295 184110,1297 25.129,1298 0.718,1299 0.632,1300 25.129,1301 22.11,1302 16.359,1303 0.409,1304 0.341,1305 13.558,1306 15.925,1307 12.959,1308 10.615,1309 16.359,1310 13.659,1311 17.298,1312 0.254,1313 0.202,1314 17.298,1315 13.714,1316 15.7,1317 0.15,1318 0.115,1319 15.7,1320 12.038,1321 13.962,1322 0.091,1323 0.066,1324 13.962,1325 10.072,1326 11.282,1327 0.054,1328 0.037,1329 11.282,1330 7.709,1331 0.264,1332 101.517,1333 0.199,1334 31.156,1335 0.504,1336 216,1337 488.678,1338 231.167,1339 461.512,1340 630.74,1341 430,1342 281,1343 465.636,1344 296.282,1345 470.833,1346 711.05,1347 442,1348 7.155}
{0 CHEMBL45841,1 1.468,2 11.269,3 6.697,4 44.847,5 103.837,6 7.954,7 0.643,8 3.9,9 3.999,10 3.516,11 3.55,12 5.042,13 3.503,14 4.392,15 4.539,16 3.873,17 3.925,18 5.584,19 3.851,20 4.662,21 4.862,22 3.926,23 4.05,24 5.725,25 3.948,26 4.677,27 4.89,28 3.811,29 3.987,30 5.725,31 3.882,32 4.62,33 4.841,34 3.837,35 3.959,36 5.695,37 3.866,38 4.56,39 4.738,40 3.877,41 3.947,42 5.749,43 3.862,44 4.611,45 4.802,46 3.756,47 3.86,48 5.842,49 3.765,50 4.48,51 4.706,52 3.568,53 3.685,54 5.566,55 3.559,56 0.023,57 0.553,58 8.287,59 4.266,60 8.446,61 5.414,62 0.135,63 0.91,64 15.472,65 7.232,66 34.03,67 9.531,68 0.134,69 1.187,70 24.723,71 9.751,72 33.402,73 12.922,74 0.21,75 1.211,76 25.492,77 9.632,78 42.405,79 12.602,80 0.227,81 1.16,82 22.302,83 9.145,84 36.117,85 12.428,86 0.101,87 1.046,88 20.044,89 8.687,90 27.8,91 11.328,92 0.237,93 1.06,94 23.776,95 9.043,96 57.319,97 11.043,98 0.238,99 0.931,100 22.112,101 8.149,102 49.052,103 10.248,105 23,106 38,107 0.251,108 0.558,109 0.698,110 0.799,111 0.821,112 0.829,113 3.304,114 0.97,115 -5.09,116 -4.99,117 -4.67,120 47.8,121 1,122 3,140 10,141 4,142 1,144 2,153 1,162 1,164 1,165 16,166 1,168 5,171 1,173 1,176 20,177 2,182 7,187 2,190 19,195 4,196 1,203 18,204 2,206 1,207 3,210 1,212 2,215 18,216 4,220 6,225 4,227 18,228 4,231 5,236 4,239 14,240 1,245 2,250 1,253 12,254 2,258 3,263 2,266 10,267 1,270 1088,271 17.524,272 17.524,273 17.524,274 17.524,275 17.524,276 15.31,277 7.517,278 10.53,279 17.718,280 13.792,281 13.792,282 13.792,283 13.792,284 13.792,285 10.421,286 3.762,287 4.99,288 14.168,289 4.055,290 2.255,291 1.434,292 0.842,293 0.712,294 0.669,295 3.986,298 1,302 1,303 615,304 3.082,307 262.661,313 1.675,314 23.737,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 54.833,326 293,327 4.43,328 3.583,329 6.351,330 4.037,331 3.055,332 4.129,333 1.437,334 9.805,335 3,336 4.12,337 3.014,338 6.025,339 3.733,340 2.742,341 3.73,343 8.668,344 2.717,345 3.982,346 2.902,347 5.823,348 3.597,349 2.604,350 3.512,352 7.875,353 2.577,354 3.712,355 2.725,356 5.322,357 3.368,358 2.376,359 3.074,361 6.888,362 2.355,363 3.608,364 2.524,365 5.04,366 3.155,367 2.252,368 2.974,370 6.071,371 1.968,372 3.054,373 1.961,374 4.487,375 2.598,376 1.622,377 2.254,379 4.446,380 1.564,381 2.707,382 1.504,383 4.15,384 2.406,385 1.417,386 1.792,388 3.53,389 1.387,390 2.592,391 1.391,392 3.699,393 2.171,394 1.192,395 1.544,397 2.658,398 1.15,399 2.5,400 1.237,401 3.428,402 2.035,403 1.051,404 1.5,406 2.546,407 1.014,408 2.5,409 1,410 3.414,411 2,412 1,413 1.5,415 2.275,416 1,417 2.441,418 1,419 3.414,420 2,421 1,422 1.433,424 2.275,425 1,426 1.454,427 0.441,428 2.728,429 1.324,430 0.325,431 0.354,433 0.546,434 0.325,435 1.179,436 0.416,437 2.637,438 0.726,439 -0.15,440 -0.189,442 -0.34,443 -0.106,444 0.942,445 0.357,446 2.36,447 0.631,448 -0.354,449 -0.433,451 -0.735,452 -0.35,453 0.764,454 -0.307,455 2.096,456 0.283,457 -0.69,458 -0.91,460 -1.943,461 -0.614,462 12.781,463 0.492,464 0.609,465 0.023,466 34.75,467 1.337,468 19.5,469 0.75,470 15.25,471 0.587,472 20.204,473 0.777,474 26.819,475 0.583,476 25.427,477 0.978,478 6.672,479 0.257,480 5.891,481 0.227,482 0.147,484 0.313,490 0.681,491 1.008,492 0.649,493 0.87,494 0.706,495 0.86,496 0.431,497 1.114,498 0.688,499 0.956,500 0.367,501 0.953,502 0.73,503 1.064,504 0.891,505 0.98,506 0.617,507 0.958,508 0.983,509 1.032,510 0.915,511 0.957,512 0.969,513 0.968,514 0.538,515 0.865,516 0.567,517 0.797,518 0.585,519 0.806,520 0.732,521 1.144,522 0.724,523 1.103,524 0.76,525 1.047,526 1.554,527 1.057,528 0.996,529 1.037,530 1.683,531 1.047,532 1.413,533 0.915,534 0.916,535 0.858,536 1.567,537 0.921,538 5.5,539 0.087,540 2.889,541 0.938,542 1.218,543 1.382,544 0.625,545 0.358,546 0.365,547 0.168,548 7558,549 21058,550 2.037,551 43.5,552 9,553 10,556 1,560 1.693,561 1.902,562 3.409,563 -0.408,569 67.538,570 1.468,571 3.269,572 4.089,573 4.681,574 4.811,575 4.855,576 2.917,577 3.95,578 4.662,579 3.557,580 1156.03,581 8.1,582 14409.2,587 254.084,588 1.42,589 4.628,590 0.196,591 0.006,592 0.076,593 0.024,594 0.035,595 0.037,596 0.017,597 0.012,598 0.016,599 0.009,600 0.429,601 0.5,602 1,603 1.242,604 127.224,605 -0.046,606 0.024,607 0.006,608 0.052,609 -0.081,610 0.042,611 0.193,612 -0.095,613 0.052,614 -0.018,615 0.243,616 -0.016,617 -0.011,618 -0.054,619 0.008,620 -0.018,621 0.051,622 0.015,623 -0.092,624 -0.007,625 -0.056,626 -0.011,627 -0.1,628 -0.009,629 0.174,630 0.166,631 0.16,632 0.14,633 0.126,634 0.166,635 0.094,636 -0.158,637 0.047,638 -0.156,639 0.128,640 -0.093,641 -0.168,642 -0.09,643 -0.091,644 -0.081,645 -0.139,646 -0.108,647 -0.143,648 0.046,649 0.05,650 0.12,651 -0.194,652 0.056,653 2.636,654 4.546,655 0.692,656 26.284,657 0.998,658 1.109,659 3.858,660 14.886,661 0.704,662 3.367,663 3.664,664 3.892,665 4.111,666 4.419,667 4.5,668 4.615,669 4.71,670 4.812,671 4.796,672 6.317,673 0.664,674 365.88,675 3.367,676 4.89,677 5.72,678 6.581,679 7.437,680 8.305,681 9.171,682 10.044,683 10.916,684 11.793,685 2.2,695 1,699 10,700 1,704 7,706 18,711 1,719 1,720 46,723 19,724 2,725 28,727 48,728 22,729 17,730 4,731 8,732 1,735 3,736 3,737 1,741 1,748 3,749 18,750 4,754 1,759 1,763 1,768 20,769 3,770 1,771 4,772 1,775 1,780 1,781 2,785 1,789 3,811 1,813 3,817 1,818 1,821 26,827 1,828 3,839 1,840 4.3,842 1,843 1,847 13.667,848 8.543,849 5.833,850 2.984,851 3.246,852 1.455,853 0.964,854 5.823,855 10.378,856 3.664,857 4.256,858 4.83,859 5.403,860 6.037,861 6.338,862 6.797,863 7.192,864 7.618,865 7.936,866 0.875,867 39,868 9.599,870 4.032,871 7.806,872 18.281,874 14.801,877 2.306,878 59.944,882 223.651,883 133.858,884 16.786,885 39.149,886 67.828,889 133.858,890 330.628,891 16.786,892 8.825,893 7.604,894 94.762,895 85.524,896 21.756,898 223.651,899 39.149,900 223.651,901 150.643,902 67.828,903 39.149,905 223.651,906 67.828,909 21.942,910 111.915,911 55.934,913 223.651,914 84.614,915 173.006,918 223.651,919 30.27,920 103.588,922 123.762,923 223.651,924 84.614,925 173.006,927 0.573,928 0.322,929 0.163,930 0.103,931 17,932 8,933 0.125,934 6,936 1,937 3.767,938 212.589,940 18,941 114.211,945 18.315,946 8.266,947 4.586,949 84.614,950 18.608,951 4.671,955 5.134,957 42.683,958 481.271,959 38,964 11.546,968 -0.969,969 45.916,970 51.013,971 0.266,972 0.592,973 0.74,974 0.847,975 0.871,976 0.879,977 4.871,978 1.192,979 5.694,980 3.53,981 4.344,982 4.942,983 1.635,984 6.463,985 4.295,986 6.077,987 1.051,988 7.229,989 2.658,990 3.892,991 4.677,993 7.277,994 3.783,995 7.373,996 1,997 8.861,998 2.546,999 5.9,1000 7.119,1001 2.253,1002 10.329,1003 5.818,1004 8.704,1005 1,1006 10.549,1007 2.275,1008 6.236,1009 7.629,1011 11.938,1012 6.111,1013 10.064,1014 0.325,1015 12.271,1016 2.275,1017 7.718,1018 9.553,1019 2.922,1020 14.494,1021 7.608,1022 11.443,1023 -0.15,1024 14.016,1025 0.546,1026 8.423,1027 10.438,1029 16.444,1030 8.283,1031 12.837,1032 -0.354,1033 15.778,1034 -0.34,1035 9.678,1036 12.117,1037 3.619,1038 18.814,1039 9.541,1040 3.055,1041 -0.69,1042 17.552,1043 -0.735,1044 10.569,1045 13.212,1047 20.924,1048 10.409,1049 2.742,1050 9.805,1051 19.335,1052 -1.943,1053 11.723,1054 14.761,1055 4.33,1056 23.222,1057 11.559,1058 2.604,1059 8.668,1060 21.125,1061 4.129,1062 12.711,1063 15.98,1065 25.41,1066 12.526,1067 2.376,1068 7.875,1069 22.921,1070 3.73,1071 13.823,1072 17.458,1073 5.047,1074 27.682,1075 13.628,1076 2.252,1077 6.888,1078 24.722,1079 3.512,1080 14.861,1081 18.752,1083 29.91,1084 14.647,1085 1.622,1086 6.071,1087 26.528,1088 3.074,1089 15.959,1090 20.193,1091 5.769,1092 32.175,1093 15.731,1094 1.417,1095 4.446,1096 28.336,1097 2.974,1098 17.025,1099 21.531,1101 34.422,1102 16.778,1103 7502,1104 12746,1105 18.493,1106 32.387,1107 41.631,1108 42.612,1109 42.619,1110 41.534,1111 41.274,1112 55.589,1113 2.873,1114 115.166,1115 40.113,1116 5.218,1117 5.583,1118 6.215,1119 5.082,1120 5.055,1121 7.129,1122 2.873,1123 16.283,1124 5,1125 13.448,1126 1.487,1127 1.522,1128 1.522,1129 1.483,1130 1.474,1131 1.985,1132 0.103,1133 4.113,1134 1.433,1135 4.047,1136 4.072,1137 4.047,1138 3.985,1139 7.475,1140 3.986,1141 3.895,1142 3.922,1143 3.915,1144 3.849,1145 6.351,1146 3.84,1147 3.745,1148 3.774,1149 3.74,1150 3.661,1151 4.982,1152 3.66,1153 3.592,1154 3.651,1155 3.427,1156 3.467,1157 4.841,1158 3.448,1159 3.25,1160 3.268,1161 3.346,1162 3.043,1163 4.617,1164 3.05,1165 3.128,1166 3.177,1167 3.14,1168 2.977,1169 4.247,1170 2.988,1171 2.912,1172 2.955,1173 2.9,1174 2.756,1175 4.126,1176 2.755,1177 2.854,1178 2.925,1179 2.687,1180 2.735,1181 3.751,1182 2.715,1183 0.158,1184 0.128,1185 0.227,1186 0.144,1187 0.109,1188 4.43,1189 0.147,1190 3.583,1191 0.051,1192 6.351,1193 0.35,1194 4.037,1195 0.107,1196 3.055,1197 4.129,1198 1.437,1199 9.805,1200 3,1201 2.005,1202 1.983,1203 2.096,1204 2.084,1205 1.322,1206 2.087,1207 1.902,1208 1.878,1209 2.013,1210 1.977,1211 1.159,1212 1.996,1213 1.728,1214 1.699,1215 1.909,1216 1.847,1217 1.065,1218 1.869,1219 1.607,1220 1.549,1221 1.779,1222 1.758,1223 0.883,1224 1.773,1225 1.194,1226 1.133,1227 1.515,1228 1.418,1229 0.685,1230 1.442,1231 1.03,1232 1.025,1233 1.181,1234 1.328,1235 0.298,1236 1.27,1237 0.901,1238 0.852,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.886,1244 0.821,1245 1.133,1246 1.062,1247 0.218,1248 1.107,1249 4.043,1251 5.342,1253 6.838,1255 8.422,1257 10.053,1259 2.175,1260 5.944,1264 9.464,1265 3.372,1273 30.547,1274 67.538,1275 150.361,1276 188.11,1277 215.329,1278 221.329,1279 223.329,1280 47.777,1281 7.132,1282 50.19,1283 50.19,1284 18,1285 12.332,1286 4.322,1287 3.459,1288 44.235,1289 95,1290 126,1291 0.226,1292 193.467,1293 336.77,1294 463.821,1295 10842,1296 2.2,1297 18.518,1298 0.712,1299 0.59,1300 19.018,1301 15.331,1302 12.563,1303 0.449,1304 0.323,1305 8.658,1306 12.051,1307 8.386,1308 7.016,1309 12.852,1310 9.05,1311 11.174,1312 0.294,1313 0.176,1314 11.583,1315 6.675,1316 9.01,1317 0.188,1318 0.094,1319 9.299,1320 4.533,1321 6.968,1322 0.116,1323 0.049,1324 7.134,1325 2.92,1326 6.181,1327 0.075,1328 0.026,1329 6.395,1330 2.161,1331 0.351,1332 80.116,1333 0.233,1334 25.117,1335 0.626,1336 132,1337 367.734,1338 154.001,1339 394.822,1340 526.63,1341 366,1342 152,1343 360.346,1344 167.412,1345 380.027,1346 551.96,1347 358,1348 4.824}
{0 CHEMBL45981,1 1.387,2 8.385,3 4.653,4 21.65,5 105.133,6 6.74,7 0.429,8 4.012,9 4.136,10 3.483,11 3.582,12 5.093,13 3.531,14 4.551,15 4.74,16 3.922,17 4.018,18 5.562,19 3.955,20 4.829,21 4.994,22 4.008,23 4.231,24 5.9,25 4.132,26 5.112,27 5.382,28 3.996,29 4.259,30 6.085,31 4.127,32 4.983,33 5.194,34 3.906,35 4.193,36 6.07,37 4.083,38 4.922,39 5.145,40 3.809,41 4.202,42 5.854,43 4.051,44 5.025,45 5.293,46 3.758,47 4.192,48 5.842,49 4.012,50 5.094,51 5.41,52 3.856,53 4.074,54 6.067,55 3.922,56 0.053,57 0.708,58 11.655,59 5.133,60 11.305,61 6.963,62 0.173,63 1.163,64 20.734,65 8.813,66 22.424,67 12.228,68 0.113,69 1.508,70 27.241,71 11.651,72 29.567,73 15.962,74 0.342,75 1.765,76 38.526,77 14.658,78 64.19,79 20.799,80 0.434,81 1.547,82 34.048,83 12.611,84 80.984,85 16.859,86 0.202,87 1.558,88 30.767,89 12.759,90 46.175,91 17.829,92 0.182,93 1.671,94 34.56,95 13.952,96 38.57,97 20.086,98 0.432,99 1.664,100 38.793,101 13.691,102 80.949,103 20.241,105 69,106 44,107 0.233,108 0.57,109 0.62,110 0.639,111 0.639,112 0.639,113 3.305,114 0.948,115 -5.19,116 -5.08,117 -4.76,120 42.3,121 6,124 2,135 1,136 1,140 4,141 4,142 1,143 1,145 1,153 1,165 17,168 3,171 2,173 4,176 24,182 4,187 6,190 19,194 1,195 3,200 9,203 23,207 4,212 3,215 25,220 4,225 3,227 21,231 4,236 3,239 10,245 8,248 1,249 1,250 7,253 8,258 6,261 1,263 1,266 6,270 936,271 16.168,272 16.168,273 16.168,274 16.168,275 16.168,276 14.48,277 18.833,278 8.981,279 16.287,280 13.813,281 13.813,282 13.813,283 13.813,284 13.813,285 11.093,286 22.119,287 4.268,288 14.009,289 4.314,290 2.309,291 2.011,292 1.896,293 1.896,294 1.896,295 3.971,301 1,302 1,303 453,304 4.123,306 55.712,307 153.746,310 105.788,313 1.231,314 24.436,316 1,317 1,318 1,319 1,320 1,321 0.5,322 1,323 1,324 0.93,325 55,326 218,327 4.699,328 3.725,329 7.386,330 4.485,331 3.49,332 4.281,333 1.058,334 12.78,335 3.469,336 4.514,337 3.652,338 7.097,339 4.23,340 3.23,341 4.086,343 11.613,344 3.23,345 4.292,346 3.459,347 6.726,348 4.167,349 3.18,350 3.425,352 10.95,353 3.138,354 3.8,355 2.758,356 5.66,357 3.461,358 2.47,359 3.197,361 7.601,362 2.448,363 3.552,364 2.524,365 5.506,366 3.162,367 2.182,368 2.813,370 6.845,371 2.135,372 3.325,373 2.279,374 5.174,375 2.988,376 2,377 2.478,379 6.045,380 1.963,381 3.029,382 1.837,383 4.745,384 2.629,385 1.669,386 2.162,388 4.917,389 1.593,390 2.839,391 1.501,392 4.542,393 2.343,394 1.354,395 1.97,397 4.087,398 1.335,399 2.65,400 1.313,401 3.635,402 2.285,403 1.285,404 1.698,406 2.936,407 1.285,408 2.437,409 0.998,410 3.59,411 1.813,412 0.838,413 1.262,415 2.179,416 0.813,417 1.465,418 0.559,419 3.335,420 1.187,421 0.244,422 0.283,424 0.65,425 0.228,426 1.248,427 0.527,428 2.873,429 0.798,430 -0.186,431 -0.25,433 -0.47,434 -0.18,435 0.767,436 -0.281,437 2.855,438 0.356,439 -0.644,440 -0.852,442 -1.706,443 -0.644,444 0.756,445 -0.505,446 2.364,447 0.343,448 -0.664,449 -0.864,451 -2.191,452 -0.66,453 0.507,454 -0.795,455 2.319,456 0.031,457 -0.954,458 -1,460 -2.412,461 -0.91,462 12.467,463 0.479,464 1.191,465 0.046,466 31.5,467 1.212,468 16,469 0.615,470 15.5,471 0.596,472 27.748,473 1.067,474 28.333,475 0.545,476 23.646,477 0.909,478 5.522,479 0.212,480 6.459,481 0.248,482 0.294,483 0.08,484 0.321,490 0.806,491 1.174,492 0.907,493 1.057,494 0.805,495 1.002,496 0.469,497 0.847,498 0.633,499 0.796,500 0.458,501 0.743,502 0.824,503 1.418,504 1.159,505 1.411,506 0.871,507 1.338,508 0.826,509 0.853,510 0.776,511 0.875,512 0.792,513 0.829,514 1.901,515 0.922,516 1.216,517 0.956,518 1.817,519 1.016,520 0.799,521 1.187,522 1.146,523 1.233,524 0.909,525 1.235,526 0.481,527 1.146,528 0.96,529 1.17,530 0.563,531 1.128,532 0.557,533 0.837,534 0.539,535 0.74,536 0.558,537 0.654,538 8.5,539 0.086,540 4,541 3.389,542 1.937,543 1.49,544 0.571,545 0.857,546 0.54,547 0.179,548 6563,549 15113,550 1.931,551 50,552 18,553 5,555 1,556 2,560 1.698,561 1.714,562 2.993,563 0.175,569 72.104,570 1.387,571 3.391,572 3.69,573 3.805,574 3.805,575 3.805,576 2.35,577 3.767,578 4.678,579 3.208,580 1042.62,581 8.141,582 12700.2,584 1,587 296.423,588 1.854,589 4.557,590 0.304,591 0.012,592 0.091,593 0.077,594 0.045,595 0.038,596 0.016,597 0.027,598 0.015,599 0.011,600 0.636,601 0.33,602 1,603 0.989,604 124.061,605 -0.055,606 0.002,607 0.023,608 0.048,609 -0.127,610 0.044,611 0.197,612 0.249,613 0.306,614 0.266,615 0.154,616 0.291,617 -0.032,618 -0.331,619 -0.223,620 -0.342,621 -0.063,622 -0.31,623 0.104,624 0.083,625 0.204,626 0.106,627 0.118,628 0.159,629 -0.282,630 0.042,631 -0.186,632 0.039,633 -0.202,634 -0.052,635 -0.074,636 -0.185,637 -0.207,638 -0.199,639 -0.091,640 -0.218,641 0.064,642 -0.194,643 -0.025,644 -0.167,645 -0.018,646 -0.116,647 0.338,648 0.043,649 0.455,650 0.194,651 0.363,652 0.316,653 1.818,654 5.397,655 0.577,656 18.615,657 0.99,658 1.123,659 3.963,660 15.702,661 0.655,662 3.367,663 3.807,664 4.025,665 4.317,666 4.522,667 4.564,668 4.71,669 4.852,670 4.745,671 4.86,672 5.399,673 0.611,674 350.5,675 3.367,676 4.977,677 5.838,678 6.772,679 7.658,680 8.587,681 9.483,682 10.41,683 11.31,684 12.235,685 3.8,692 1,695 1,699 5,700 1,704 6,706 12,717 1,720 52,723 14,724 1,725 28,727 54,728 22,729 11,730 4,731 2,732 3,735 3,736 4,741 6,742 2,749 14,750 8,754 2,759 1,761 1,763 2,765 1,768 26,769 4,770 2,771 4,775 2,780 0.667,781 2,785 1,788 1,789 2,792 1,800 1,805 1,806 1,813 2,817 6,821 26,827 1,829 1,835 2,840 3.8,842 1,843 1,847 15.167,848 11.317,849 5.306,850 3.076,851 3.016,852 1.418,853 0.917,854 4.38,855 10.227,856 3.611,857 4.263,858 4.828,859 5.407,860 5.965,861 6.245,862 6.681,863 7.085,864 7.317,865 7.687,866 1,867 44,868 9.654,870 4.157,871 7.744,872 18.467,874 15.459,877 2.244,878 58.333,880 1,881 1,882 282.506,883 132.34,884 34.796,886 67.828,889 132.34,890 350.335,891 34.796,892 52.951,893 18.011,894 47.381,895 101.09,896 24.975,897 2.328,898 270.735,900 282.506,901 167.137,902 67.828,905 282.506,906 67.828,909 80.009,910 60.865,911 26.262,913 282.506,914 102.625,915 132.34,918 282.506,919 22.96,920 109.38,921 18.011,922 84.614,923 282.506,924 102.625,925 132.34,927 0.619,928 0.342,929 0.18,930 0.099,931 23,932 12,933 0.056,934 3,935 1,936 1.133,937 3.466,938 229.003,939 0.133,940 15,941 100.702,945 18.504,946 6.155,947 3.515,949 102.625,950 9.323,951 4.217,955 4.391,957 60.694,958 517.471,959 36,964 12.397,966 1.882,968 0.444,969 51.461,970 58.398,971 0.243,972 0.595,973 0.647,974 0.667,975 0.667,976 0.667,977 4.927,978 1.354,979 5.948,980 4.917,981 4.489,982 4.949,983 1.176,984 6.893,985 4.464,986 6.216,987 1.285,988 7.611,989 4.087,990 4.575,991 5.037,993 8.283,994 4.555,995 7.589,996 0.838,997 9.387,998 2.936,999 6.308,1000 7.19,1001 1.255,1002 11.307,1003 6.27,1004 8.994,1005 0.244,1006 11.226,1007 2.179,1008 7.099,1009 7.974,1011 13.407,1012 7.067,1013 10.426,1014 -0.186,1015 13.103,1016 0.65,1017 8.465,1018 9.722,1019 1.338,1020 16.075,1021 8.42,1022 11.877,1023 -0.644,1024 15.005,1025 -0.47,1026 9.518,1027 10.826,1029 18.428,1030 9.474,1031 13.344,1032 -0.664,1033 16.925,1034 -1.706,1035 10.774,1036 12.406,1037 1.422,1038 20.987,1039 10.721,1040 3.49,1041 -0.954,1042 18.858,1043 -2.191,1044 11.927,1045 13.67,1047 23.436,1048 11.871,1049 3.23,1050 12.78,1051 20.801,1052 -2.412,1053 13.151,1054 15.173,1055 1.51,1056 25.962,1057 13.088,1058 3.18,1059 11.613,1060 22.751,1061 4.281,1062 14.341,1063 16.52,1065 28.449,1066 14.275,1067 2.47,1068 10.95,1069 24.707,1070 4.086,1071 15.558,1072 17.987,1073 1.599,1074 30.968,1075 15.486,1076 2.182,1077 7.601,1078 26.667,1079 3.425,1080 16.766,1081 19.377,1083 33.473,1084 16.688,1085 2,1086 6.845,1087 28.632,1088 3.197,1089 17.983,1090 20.828,1091 1.69,1092 35.992,1093 17.9,1094 1.669,1095 6.045,1096 30.6,1097 2.813,1098 19.199,1099 22.241,1101 38.507,1102 19.11,1103 6591,1104 10175,1105 17.107,1106 34.057,1107 44.922,1108 45.618,1109 45.65,1110 43.815,1111 43.885,1112 55.309,1113 2.117,1114 141.204,1115 43.273,1116 5.508,1117 5.725,1118 7.067,1119 5.524,1120 5.49,1121 7.281,1122 2.117,1123 20.868,1124 5.469,1125 17.694,1126 1.604,1127 1.629,1128 1.63,1129 1.565,1130 1.567,1131 1.975,1132 0.076,1133 5.043,1134 1.545,1135 4.067,1136 4.09,1137 4.025,1138 4.004,1139 7.429,1140 4.005,1141 3.929,1142 3.961,1143 3.886,1144 3.833,1145 6.467,1146 3.842,1147 3.685,1148 3.746,1149 3.541,1150 3.583,1151 4.909,1152 3.566,1153 3.537,1154 3.589,1155 3.433,1156 3.433,1157 4.644,1158 3.423,1159 3.375,1160 3.416,1161 3.267,1162 3.216,1163 4.294,1164 3.222,1165 3.025,1166 3.067,1167 2.935,1168 2.804,1169 4.235,1170 2.83,1171 2.874,1172 3.009,1173 2.668,1174 2.618,1175 3.991,1176 2.57,1177 2.874,1178 3.009,1179 2.537,1180 2.618,1181 3.874,1182 2.57,1183 0.168,1184 0.133,1185 0.264,1186 0.16,1187 0.125,1188 4.699,1189 0.153,1190 3.725,1191 0.038,1192 7.386,1193 0.456,1194 4.485,1195 0.124,1196 3.49,1197 4.281,1198 1.058,1199 12.78,1200 3.469,1201 2.008,1202 1.99,1203 2.114,1204 2.08,1205 1.351,1206 2.092,1207 1.822,1208 1.792,1209 1.959,1210 1.937,1211 1.176,1212 1.934,1213 1.713,1214 1.657,1215 1.924,1216 1.861,1217 1.032,1218 1.898,1219 1.575,1220 1.531,1221 1.766,1222 1.736,1223 0.862,1224 1.743,1225 1.343,1226 1.307,1227 1.469,1228 1.562,1229 0.527,1230 1.537,1231 1.001,1232 0.949,1233 1.417,1234 1.239,1235 0.469,1236 1.308,1237 0.934,1238 0.804,1239 1.417,1240 1.239,1241 0.469,1242 1.308,1243 0.934,1244 0.804,1245 1.417,1246 1.239,1247 0.469,1248 1.308,1249 4.043,1251 5.451,1252 2.398,1253 7.031,1254 4.844,1255 8.69,1256 7.018,1257 10.394,1259 12.458,1264 10.845,1266 2.801,1272 -0.425,1273 31.794,1274 72.104,1275 176.345,1276 191.854,1277 197.854,1278 197.854,1279 197.854,1280 59.147,1281 7.211,1282 65.98,1283 65.98,1284 17,1285 12.745,1286 3.907,1287 3.17,1288 44.001,1289 84,1290 79,1291 0.261,1292 197.784,1293 348.74,1294 474.352,1295 11571,1297 19.276,1298 0.741,1299 0.626,1300 19.276,1301 16.267,1302 11.981,1303 0.428,1304 0.316,1305 8.785,1306 11.722,1307 8.228,1308 7.011,1309 11.981,1310 8.847,1311 12.963,1312 0.295,1313 0.202,1314 12.963,1315 8.876,1316 9.197,1317 0.167,1318 0.084,1319 9.197,1320 4.634,1321 7.96,1322 0.108,1323 0.043,1324 7.96,1325 3.213,1326 6.288,1327 0.069,1328 0.024,1329 6.288,1330 2.207,1331 0.394,1332 73.904,1333 0.242,1334 24.334,1335 0.765,1336 144,1337 347.863,1338 152.148,1339 348.4,1340 479.39,1341 322,1342 171,1343 360.385,1344 179.316,1345 376.336,1346 548.34,1347 349,1348 5}
{0 CHEMBL46040,1 1.726,2 8.583,3 5.874,4 34.509,5 105.158,6 11.568,7 0.444,8 3.661,9 3.701,10 3.691,11 3.52,12 4.857,13 3.434,14 4.167,15 4.241,16 4.2,17 3.973,18 5.375,19 3.868,20 4.344,21 4.392,22 4.374,23 4.083,24 5.652,25 3.96,26 4.411,27 4.505,28 4.479,29 4.063,30 5.758,31 3.928,32 4.367,33 4.449,34 3.974,35 3.827,36 5.844,37 3.683,38 3.9,39 3.98,40 3.941,41 3.59,42 5.366,43 3.478,44 3.954,45 4.007,46 3.906,47 3.59,48 5.342,49 3.469,50 3.917,51 4.029,52 3.562,53 3.335,54 5.382,55 3.246,56 0.057,57 0.296,58 0.774,59 2.02,60 5.938,61 2.537,62 0.135,63 0.561,64 5.974,65 4.534,66 19.273,67 5.452,68 0.244,69 0.676,70 15.664,71 6.458,72 27.767,73 5.82,74 0.256,75 0.794,76 16.065,77 7.297,78 25.609,79 7.557,80 0.597,81 0.809,82 27.101,83 8.821,84 105.852,85 6.395,86 0.266,87 0.473,88 10.026,89 4.577,90 36.237,91 4.588,92 0.191,93 0.512,94 20.081,95 5.774,96 21.235,97 4.329,98 0.408,99 0.454,100 5.018,101 3.767,102 69.997,103 3.413,105 37,106 42,107 0.313,108 0.647,109 0.668,110 0.689,111 0.689,112 0.689,113 3.23,114 1.061,115 -6.03,116 -5.88,117 -5.47,120 52.9,121 2,138 2,140 4,141 4,142 4,152 2,165 6,168 2,176 18,182 4,190 7,195 8,203 14,206 1,207 2,215 5,220 6,227 8,231 4,239 10,245 2,253 10,266 8,270 700,271 15.671,272 15.671,273 15.671,274 15.671,275 15.671,276 13.645,277 15.278,278 8.674,279 16.202,280 13.291,281 13.291,282 13.291,283 13.291,284 13.291,285 10.025,286 15.435,287 4.111,288 14.279,289 3.361,290 1.515,291 1.397,292 1.28,293 1.28,294 1.28,295 3.917,298 2,302 1,303 450,304 2.449,306 84.676,307 115.421,310 168.013,313 1.25,314 31.344,317 0.75,318 0.67,319 1,320 0.4,321 0.5,322 1,323 1,324 0.76,325 50.667,326 206,327 4.719,328 4.816,329 7.042,330 4.337,331 3.375,332 4.355,333 2.95,334 12.027,335 3.249,336 4.517,337 4.502,338 6.812,339 4.146,340 3.17,341 4.19,342 2.95,343 11.167,344 3.095,345 4.063,346 3.434,347 6.171,348 3.581,349 2.633,350 3.592,352 8.902,353 2.481,354 3.661,355 3.341,356 5.387,357 3.223,358 2.293,359 3.013,361 6.625,362 2.113,363 3.446,364 3.241,365 5.165,366 2.985,367 2.081,368 2.747,370 6.136,371 1.833,372 3.299,373 3.05,374 5.106,375 2.913,376 1.98,377 2.549,379 5.905,380 1.818,381 3.237,382 2.793,383 5,384 2.788,385 1.866,386 2.48,388 5.657,389 1.662,390 3.027,391 2.634,392 4.849,393 2.569,394 1.615,395 2.119,397 4.853,398 1.443,399 2.729,400 2.332,401 4.351,402 2.227,403 1.261,404 1.649,406 3.502,407 1.154,408 1.948,409 2.287,410 3.963,411 1.659,412 0.824,413 0.895,415 2.502,416 0.664,417 1.356,418 1.03,419 2.917,420 0.847,421 -0.153,422 -0.211,424 -0.389,425 -0.13,426 1.249,427 0.966,428 2.726,429 0.791,430 -0.179,431 -0.234,433 -0.46,434 -0.146,435 1.083,436 0.395,437 2.719,438 0.667,439 -0.276,440 -0.371,442 -0.793,443 -0.251,444 0.921,445 0.377,446 2.533,447 0.493,448 -0.454,449 -0.576,451 -1.162,452 -0.382,453 0.619,454 0.006,455 2.445,456 0.191,457 -0.608,458 -0.705,460 -1.438,461 -0.437,462 12.762,463 0.532,464 0.895,465 0.037,466 32,467 1.333,468 17.5,469 0.729,470 14.5,471 0.604,472 22.135,473 0.922,474 23.238,475 0.683,476 21.5,477 0.896,478 5.852,479 0.244,480 5.511,481 0.23,482 0.243,484 0.47,490 0.479,491 0.706,492 0.561,493 0.618,494 0.508,495 0.629,496 0.558,497 0.658,498 0.608,499 0.601,500 0.525,501 0.538,502 0.964,503 1.037,504 1.063,505 1.121,506 0.999,507 0.988,508 0.814,509 1.121,510 0.638,511 0.937,512 0.917,513 0.863,514 1.978,515 1.145,516 1.715,517 1.444,518 2.087,519 1.335,520 0.637,521 0.83,522 0.854,523 0.966,524 0.727,525 0.702,526 1.198,527 1.471,528 1.187,529 1.507,530 1.287,531 1.204,532 1.445,533 0.924,534 0.82,535 0.733,536 1.731,537 1.127,538 6,539 0.057,540 3.111,541 3.708,542 2.029,543 1.001,544 0.578,545 0.445,546 0.248,547 0.149,548 5701,549 21372,550 2.06,551 29.4,552 6,553 4,560 1.673,561 1.846,562 3.078,563 -0.74,569 58.696,570 1.726,571 3.572,572 3.69,573 3.808,574 3.808,575 3.808,576 2.459,577 3.585,578 4.559,579 3.189,580 880.028,581 7.89,582 9767.6,587 172.974,588 1.5,589 4.476,590 0.222,591 0.009,592 0.074,593 0.084,594 0.048,595 0.035,596 0.021,597 0.017,598 0.014,599 0.011,600 0.536,601 0.5,602 0.88,603 0.691,604 110.847,605 -0.005,606 0.075,607 0.005,608 0.059,609 -0.046,610 0.05,611 0.026,612 0.222,613 0.128,614 0.24,615 0.047,616 0.293,617 -0.085,618 -0.129,619 -0.125,620 -0.183,621 -0.12,622 -0.18,623 0.096,624 -0.129,625 0.286,626 0.088,627 0.072,628 0.096,629 -0.415,630 -0.064,631 -0.562,632 -0.29,633 -0.304,634 -0.367,635 0.304,636 0.167,637 0.115,638 0.083,639 0.282,640 0.234,641 -0.147,642 -0.476,643 -0.195,644 -0.422,645 -0.096,646 -0.333,647 -0.054,648 0.008,649 -0.05,650 0.031,651 -0.162,652 -0.214,653 1.767,654 5.851,655 0.75,656 16.167,657 1.022,658 1.078,659 4.799,660 23.028,661 0.838,662 3.332,663 3.761,664 4.111,665 4.489,666 4.682,667 4.89,668 5.017,669 5.176,670 5.268,671 5.283,672 5.106,673 0.783,674 393.32,675 3.332,676 4.934,677 5.838,678 6.779,679 7.697,680 8.642,681 9.566,682 10.512,683 11.441,684 12.387,699 4,704 8,706 12,708 2,719 2,720 34,723 15,724 2,725 27,727 37,728 18,729 12,730 8,731 4,732 4,735 4,736 6,737 2,741 2,749 16,750 2,754 3,759 2,763 4,768 10,769 2,771 6,772 4,780 0.5,781 2,788 2,789 2,792 2,805 2,813 2,814 2,815 2,817 2,818 2,821 24,831 2,839 2,840 5.9,843 2,847 13,848 7.286,849 5,850 2.051,851 3.164,852 1.415,853 1.037,854 3.846,855 10.793,856 3.611,857 4.304,858 4.938,859 5.562,860 6.061,861 6.45,862 6.771,863 7.199,864 7.555,865 7.891,866 0.833,867 44,868 8.926,870 4.048,871 7.912,872 16.757,874 14.515,877 2.412,878 57.889,882 117.711,883 156.208,885 78.297,886 50.29,888 64.439,889 91.769,890 246.298,892 17.65,894 37.905,895 63.658,896 22.845,898 182.15,899 78.297,900 117.711,901 91.769,902 50.29,903 142.736,905 117.711,906 50.29,909 17.65,910 71.017,911 81.399,912 64.439,913 117.711,914 50.29,915 234.505,918 117.711,919 100.652,920 55.555,922 128.587,923 117.711,924 50.29,925 234.505,927 0.611,928 0.372,929 0.218,930 0.11,931 24,932 12,935 2,936 1.222,937 3.412,938 216.317,939 0.222,940 18,941 86.039,942 2,945 16.283,946 5.669,947 2.479,949 50.29,950 7.099,955 5.758,958 402.506,959 36,964 25.702,968 0.766,969 34.756,970 36.638,971 0.339,972 0.702,973 0.725,974 0.748,975 0.748,976 0.748,977 4.913,978 1.615,979 5.889,980 5.657,981 4.443,982 4.99,983 3.578,984 6.812,985 4.317,986 6.185,987 1.261,988 7.522,989 4.853,990 4.29,991 5.056,993 7.888,994 4.111,995 7.548,996 0.824,997 9.25,998 3.502,999 6.151,1000 7.271,1001 5.717,1002 11.061,1003 5.956,1004 8.944,1005 -0.153,1006 11.031,1007 2.502,1008 6.758,1009 8.07,1011 12.952,1012 6.533,1013 10.367,1014 -0.179,1015 12.847,1016 -0.389,1017 8.172,1018 9.834,1019 7.878,1020 15.665,1021 7.928,1022 11.812,1023 -0.276,1024 14.687,1025 -0.46,1026 9.119,1027 10.973,1029 17.897,1030 8.848,1031 13.274,1032 -0.454,1033 16.547,1034 -0.793,1035 10.38,1036 12.559,1037 10.041,1038 20.449,1039 10.086,1040 3.375,1041 -0.608,1042 18.423,1043 -1.162,1044 11.472,1045 13.861,1047 22.82,1048 11.149,1049 3.17,1050 12.027,1051 20.31,1052 -1.438,1053 12.683,1054 15.372,1055 12.204,1056 25.315,1057 12.333,1058 2.633,1059 11.167,1060 22.207,1061 4.355,1062 13.836,1063 16.751,1065 27.741,1066 13.454,1067 2.293,1068 8.902,1069 24.112,1070 4.19,1071 15.033,1072 18.23,1073 14.368,1074 30.217,1075 14.621,1076 2.081,1077 6.625,1078 26.024,1079 3.592,1080 16.211,1081 19.647,1083 32.667,1084 15.765,1085 1.98,1086 6.136,1087 27.94,1088 3.013,1089 17.406,1090 21.112,1091 16.532,1092 35.137,1093 16.927,1094 1.866,1095 5.905,1096 29.861,1097 2.747,1098 18.595,1099 22.548,1101 37.598,1102 18.082,1103 5497,1104 10756,1105 17.342,1106 28.489,1107 42.669,1108 50.115,1109 45.468,1110 42.339,1111 42.192,1112 55.178,1113 11.8,1114 134.553,1115 39.024,1116 5.539,1117 6.816,1118 6.042,1119 5.507,1120 5.375,1121 7.355,1122 5.9,1123 19.818,1124 5.249,1125 14.596,1126 1.58,1127 1.856,1128 1.684,1129 1.568,1130 1.563,1131 2.044,1132 0.437,1133 4.983,1134 1.445,1135 4.053,1136 4.05,1137 4.274,1138 4.059,1139 7.433,1140 4.022,1141 3.93,1142 3.938,1143 4.085,1144 3.914,1145 7.422,1146 3.893,1147 3.523,1148 3.522,1149 3.817,1150 3.497,1151 4.926,1152 3.464,1153 3.18,1154 3.25,1155 3.614,1156 3.099,1157 4.901,1158 3.071,1159 3.177,1160 3.245,1161 3.275,1162 3.063,1163 4.362,1164 3.032,1165 3.173,1166 3.159,1167 3.224,1168 3.061,1169 4.276,1170 3.024,1171 2.636,1172 2.679,1173 2.95,1174 2.543,1175 4.004,1176 2.52,1177 2.635,1178 2.677,1179 2.869,1180 2.487,1181 3.823,1182 2.46,1183 0.175,1184 0.178,1185 0.261,1186 0.161,1187 0.125,1188 4.719,1189 0.161,1190 4.816,1191 0.109,1192 7.042,1193 0.445,1194 4.337,1195 0.12,1196 3.375,1197 4.355,1198 2.95,1199 12.027,1200 3.249,1201 1.899,1202 1.888,1203 1.969,1204 1.958,1205 1.151,1206 1.969,1207 1.895,1208 1.884,1209 1.961,1210 1.947,1211 1.149,1212 1.963,1213 1.548,1214 1.572,1215 1.495,1216 1.591,1217 0.763,1218 1.595,1219 1.204,1220 1.148,1221 1.494,1222 1.387,1223 0.596,1224 1.44,1225 1.176,1226 1.103,1227 1.454,1228 1.384,1229 0.575,1230 1.432,1231 0.99,1232 0.991,1233 1.029,1234 1.206,1235 0.128,1236 1.146,1237 0.869,1238 0.878,1239 0.948,1240 0.909,1241 0.123,1242 0.964,1243 0.701,1244 0.686,1245 0.93,1246 0.834,1247 0.027,1248 0.893,1249 4.007,1251 5.407,1252 3.045,1253 6.991,1254 5.533,1255 8.667,1256 7.743,1257 10.391,1259 3.72,1260 12.192,1268 2.651,1273 26.62,1274 58.696,1275 121.464,1276 125.464,1277 129.464,1278 129.464,1279 129.464,1280 48.31,1281 7.629,1282 34.14,1283 90.62,1284 22,1285 12.881,1286 4,1287 3.322,1288 33.718,1289 74,1290 68,1291 0.234,1292 174.433,1293 309.98,1294 417.375,1295 19278,1296 5.9,1297 17.171,1298 0.715,1299 0.66,1300 18.878,1301 15.843,1302 11.363,1303 0.421,1304 0.354,1305 7.337,1306 9.755,1307 6.842,1308 5.614,1309 12.757,1310 9.551,1311 11.3,1312 0.269,1313 0.207,1314 13.348,1315 8.69,1316 9.626,1317 0.16,1318 0.114,1319 11.827,1320 6.862,1321 9.284,1322 0.105,1323 0.071,1324 12.282,1325 6.215,1326 6.548,1327 0.061,1328 0.038,1329 8.959,1330 4.06,1331 0.352,1332 83.849,1333 0.24,1334 22.65,1335 0.69,1336 138,1337 417.599,1338 224.492,1339 509.705,1340 674.76,1341 472,1342 171,1343 414.484,1344 249.176,1345 476.202,1346 712.52,1347 448,1348 4.824}
{0 CHEMBL46202,1 1.459,2 11.429,3 6.36,4 40.455,5 110.129,6 8.77,7 0.774,8 3.884,9 3.965,10 3.592,11 3.591,12 5.108,13 3.56,14 4.328,15 4.428,16 3.963,17 3.968,18 5.627,19 3.918,20 4.597,21 4.755,22 4.014,23 4.091,24 5.759,25 4.014,26 4.612,27 4.787,28 3.891,29 4.02,30 5.753,31 3.938,32 4.579,33 4.77,34 3.899,35 3.993,36 5.728,37 3.916,38 4.541,39 4.713,40 3.911,41 3.956,42 5.758,43 3.881,44 4.526,45 4.69,46 3.812,47 3.845,48 5.828,49 3.776,50 4.411,51 4.606,52 3.667,53 3.707,54 5.597,55 3.615,56 0.028,57 0.473,58 6.056,59 3.497,60 8.651,61 4.161,62 0.118,63 0.759,64 10.236,65 5.657,66 29.832,67 6.995,68 0.12,69 1.055,70 19.149,71 8.242,72 27.074,73 10.228,74 0.202,75 1.109,76 20.407,77 8.406,78 40.849,79 10.042,80 0.215,81 1.097,82 18.523,83 8.293,84 36.094,85 10.744,86 0.115,87 0.989,88 17.564,89 8.084,90 25.177,91 10.193,92 0.233,93 0.956,94 19.434,95 8.055,96 53.121,97 8.913,98 0.246,99 0.894,100 18.569,101 7.395,102 52.542,103 8.435,105 11,106 43,107 0.247,108 0.421,109 0.55,110 0.721,111 0.809,112 0.817,113 3.375,114 0.885,115 -5.29,116 -5.18,117 -4.84,120 54.5,140 15,141 5,142 1,144 2,153 1,162 1,164 1,165 19,166 1,168 5,171 1,173 1,176 25,177 2,182 7,187 2,190 24,195 4,196 1,203 22,204 2,206 1,207 3,210 1,212 2,215 21,216 4,220 6,225 4,227 19,228 4,231 6,236 4,239 15,240 1,245 3,250 1,253 14,254 2,258 3,263 2,266 13,267 2,270 1296,271 19.016,272 19.016,273 19.016,274 19.016,275 19.016,276 16.114,277 3.879,278 11.254,279 19.21,280 15.314,281 15.314,282 15.314,283 15.314,284 15.314,285 11.004,286 2.292,287 5.376,288 15.691,289 4.001,290 2.973,291 2.213,292 1.199,293 0.682,294 0.636,295 4.073,298 1,302 1,303 696,304 2.646,307 376.168,313 1.714,314 23.588,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 58.833,326 320,327 4.435,328 3.583,329 6.354,330 4.043,331 3.059,332 4.136,333 1.437,334 9.812,335 3.008,336 4.238,337 3.015,338 6.149,339 3.861,340 2.864,341 3.878,343 9.073,344 2.856,345 4.051,346 2.919,347 6.001,348 3.662,349 2.676,350 3.625,352 8.586,353 2.637,354 3.905,355 2.8,356 5.818,357 3.543,358 2.547,359 3.364,361 7.849,362 2.527,363 3.637,364 2.582,365 5.041,366 3.162,367 2.261,368 3.018,370 6.075,371 1.985,372 3.385,373 2.022,374 4.619,375 2.901,376 1.909,377 2.777,379 4.914,380 1.881,381 3.047,382 1.824,383 4.384,384 2.55,385 1.574,386 2.261,388 4.207,389 1.511,390 2.761,391 1.43,392 4.119,393 2.27,394 1.289,395 1.875,397 3.459,398 1.246,399 2.603,400 1.33,401 3.698,402 2.071,403 1.084,404 1.59,406 2.676,407 1.052,408 2.511,409 1.031,410 3.491,411 2,412 1,413 1.5,415 2.55,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.5,436 1,437 3.247,438 1.987,439 1,440 1.486,442 2.136,443 0.979,444 1.181,445 0.437,446 2.72,447 0.741,448 -0.15,449 -0.189,451 -0.34,452 -0.106,453 1.103,454 0.358,455 2.63,456 0.695,457 -0.277,458 -0.368,460 -0.686,461 -0.274,462 13.781,463 0.492,464 0.661,465 0.024,466 42.25,467 1.509,468 25.5,469 0.911,470 16.75,471 0.598,472 18.291,473 0.653,474 27.019,475 0.614,476 31.737,477 1.133,478 8.562,479 0.306,480 5.035,481 0.18,482 0.1,484 0.327,490 0.673,491 0.87,492 0.584,493 0.745,494 0.721,495 0.737,496 0.449,497 1.078,498 0.691,499 0.93,500 0.409,501 0.935,502 0.777,503 1.095,504 0.967,505 1.032,506 0.666,507 1.022,508 1.05,509 1.08,510 1.006,511 1.025,512 1.043,513 1.056,514 0.561,515 0.911,516 0.622,517 0.864,518 0.629,519 0.89,520 0.733,521 1.089,522 0.718,523 1.075,524 0.766,525 1.03,526 1.638,527 1.073,528 1.02,529 1.043,530 1.789,531 1.045,532 1.531,533 0.925,534 0.961,535 0.845,536 1.69,537 0.919,538 5.5,539 0.116,540 3.333,541 1.125,542 1.129,543 1.431,544 0.725,545 0.314,546 0.34,547 0.245,548 10011,549 30066,550 2.115,551 36.4,553 15,556 1,560 1.712,561 2,562 3.455,563 -0.429,569 64.176,570 1.459,571 2.486,572 3.247,573 4.26,574 4.778,575 4.823,576 2.937,577 4.209,578 4.775,579 3.614,580 1366.04,581 8.314,582 17958.9,587 240.215,588 1.333,589 4.748,590 0.177,591 0.006,592 0.078,593 0.026,594 0.029,595 0.036,596 0.019,597 0.01,598 0.013,599 0.01,600 0.402,601 0.5,602 1,603 0.689,604 140.468,605 -0.053,606 0.044,607 0.003,608 0.068,609 -0.12,610 0.053,611 0.173,612 -0.144,613 -0.024,614 -0.091,615 0.193,616 -0.109,617 -0.051,618 -0.108,619 -0.088,620 -0.107,621 0.008,622 -0.09,623 -0.141,624 -0.048,625 -0.156,626 -0.088,627 -0.159,628 -0.111,629 0.156,630 0.125,631 0.107,632 0.079,633 0.092,634 0.091,635 0.099,636 -0.127,637 0.078,638 -0.123,639 0.128,640 -0.057,641 -0.192,642 -0.107,643 -0.089,644 -0.057,645 -0.172,646 -0.087,647 -0.193,648 0.09,649 0.043,650 0.174,651 -0.258,652 0.092,653 2.653,654 4.612,655 0.857,656 28.327,657 1.003,658 1.095,659 4.063,660 16.51,661 0.747,662 3.466,663 3.784,664 4.043,665 4.277,666 4.575,667 4.644,668 4.796,669 4.89,670 5.03,671 5.106,672 6.596,673 0.716,674 385.86,675 3.466,676 5.004,677 5.849,678 6.718,679 7.582,680 8.456,681 9.327,682 10.204,683 11.079,684 11.957,685 2.3,695 1,699 15,700 1,704 8,706 24,711 1,719 1,720 44,723 25,724 3,725 31,727 47,728 24,729 23,730 5,731 13,732 1,735 4,736 4,737 1,749 24,754 1,759 1,763 1,768 16,769 3,770 1,771 4,772 1,775 1,780 1,781 2,785 1,789 4,811 1,813 4,818 1,821 28,827 1,839 1,840 4.5,842 1,843 1,847 14,848 7.96,849 6.111,850 2.533,851 4.244,852 1.56,853 1.006,854 5.03,855 11.823,856 3.807,857 4.431,858 5.037,859 5.627,860 6.255,861 6.543,862 7.052,863 7.466,864 7.926,865 8.336,866 0.875,867 44,868 10.302,870 4.422,871 7.825,872 19.435,874 15.954,877 2.325,878 65.111,882 176.567,883 167.996,884 16.786,885 39.149,886 67.828,889 167.996,890 283.543,891 16.786,894 142.144,895 85.524,896 24.942,898 176.567,899 39.149,900 176.567,901 184.781,902 67.828,903 39.149,905 176.567,906 67.828,909 5.513,910 162.482,911 55.934,913 176.567,914 84.614,915 207.144,918 176.567,919 25.852,920 142.144,922 123.762,923 176.567,924 84.614,925 207.144,927 0.582,928 0.334,929 0.173,930 0.104,931 21,932 9,933 0.085,934 4,936 1,937 3.995,938 244.537,940 24,941 122.606,945 18.12,946 7.773,947 4.042,949 84.614,950 28.405,951 4.682,955 5.924,957 42.683,958 468.325,959 44,964 11.612,968 -0.986,969 44.149,970 48.183,971 0.267,972 0.455,973 0.595,974 0.78,975 0.875,976 0.883,977 5.017,978 1.289,979 5.826,980 4.207,981 4.466,982 5.118,983 1.635,984 6.611,985 4.423,986 6.234,987 1.084,988 7.37,989 3.459,990 4.007,991 4.796,993 7.448,994 3.911,995 7.534,996 1,997 9.011,998 2.676,999 6.038,1000 7.313,1001 2.253,1002 10.515,1003 5.967,1004 8.868,1005 1,1006 10.709,1007 2.55,1008 6.382,1009 7.778,1011 12.157,1012 6.274,1013 10.23,1014 1,1015 12.442,1016 2.275,1017 7.877,1018 9.754,1019 2.922,1020 14.716,1021 7.784,1022 11.612,1023 1,1024 14.2,1025 2.275,1026 8.592,1027 10.612,1029 16.689,1030 8.476,1031 13.01,1032 -0.15,1033 15.973,1034 2.136,1035 9.856,1036 12.322,1037 3.619,1038 19.057,1039 9.743,1040 3.059,1041 -0.277,1042 17.758,1043 -0.34,1044 10.755,1045 13.401,1047 21.177,1048 10.624,1049 2.864,1050 9.812,1051 19.552,1052 -0.686,1053 11.915,1054 14.967,1055 4.33,1056 23.47,1057 11.781,1058 2.676,1059 9.073,1060 21.352,1061 4.136,1062 12.907,1063 16.176,1065 25.659,1066 12.758,1067 2.547,1068 8.586,1069 23.156,1070 3.878,1071 14.022,1072 17.664,1073 5.047,1074 27.924,1075 13.865,1076 2.261,1077 7.849,1078 24.965,1079 3.625,1080 15.062,1081 18.951,1083 30.146,1084 14.89,1085 1.909,1086 6.075,1087 26.776,1088 3.364,1089 16.16,1090 20.396,1091 5.769,1092 32.403,1093 15.977,1094 1.574,1095 4.914,1096 28.59,1097 3.018,1098 17.225,1099 21.729,1101 34.643,1102 17.028,1103 9483,1104 16586,1105 20.978,1106 32.864,1107 47.241,1108 48.001,1109 47.371,1110 46.774,1111 46.527,1112 65.019,1113 2.873,1114 131.776,1115 45.366,1116 5.129,1117 5.583,1118 6.156,1119 5.087,1120 5.059,1121 7.136,1122 2.873,1123 16.313,1124 5.008,1125 12.035,1126 1.524,1127 1.548,1128 1.528,1129 1.509,1130 1.501,1131 2.097,1132 0.093,1133 4.251,1134 1.463,1135 4.062,1136 4.084,1137 4.052,1138 4.007,1139 7.475,1140 4.006,1141 3.939,1142 3.962,1143 3.945,1144 3.892,1145 6.351,1146 3.886,1147 3.802,1148 3.827,1149 3.818,1150 3.745,1151 4.986,1152 3.74,1153 3.668,1154 3.692,1155 3.621,1156 3.591,1157 4.866,1158 3.589,1159 3.234,1160 3.225,1161 3.346,1162 2.987,1163 4.756,1164 3.029,1165 3.016,1166 3.044,1167 3.137,1168 2.969,1169 4.542,1170 2.958,1171 2.854,1172 2.925,1173 2.845,1174 2.735,1175 4.24,1176 2.715,1177 2.854,1178 2.925,1179 2.687,1180 2.735,1181 3.745,1182 2.715,1183 0.143,1184 0.116,1185 0.205,1186 0.13,1187 0.099,1188 4.435,1189 0.133,1190 3.583,1191 0.046,1192 6.354,1193 0.317,1194 4.043,1195 0.097,1196 3.059,1197 4.136,1198 1.437,1199 9.812,1200 3.008,1201 2.022,1202 2.002,1203 2.105,1204 2.091,1205 1.219,1206 2.096,1207 1.938,1208 1.917,1209 2.023,1210 2.007,1211 1.128,1212 2.018,1213 1.8,1214 1.775,1215 1.911,1216 1.877,1217 0.993,1218 1.892,1219 1.654,1220 1.631,1221 1.762,1222 1.76,1223 0.838,1224 1.763,1225 1.061,1226 1.058,1227 1.186,1228 1.367,1229 0.329,1230 1.285,1231 1.011,1232 0.991,1233 1.181,1234 1.107,1235 0.218,1236 1.132,1237 0.886,1238 0.821,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.886,1244 0.821,1245 1.181,1246 1.062,1247 0.218,1248 1.107,1249 4.143,1251 5.46,1253 6.976,1255 8.575,1257 10.216,1260 5.959,1264 9.516,1273 31.493,1274 64.176,1275 109.399,1276 142.857,1277 187.46,1278 210.215,1279 212.215,1280 44.146,1281 7.579,1282 50.19,1283 50.19,1284 24,1285 12.495,1286 4.7,1287 3.807,1288 42.373,1289 108,1290 116,1291 0.188,1292 196.477,1293 340.19,1294 471.163,1295 19879,1296 2.3,1297 19.51,1298 0.697,1299 0.557,1300 20.01,1301 15.597,1302 13.597,1303 0.439,1304 0.295,1305 8.758,1306 13.085,1307 8.521,1308 7.064,1309 13.886,1310 9.15,1311 12.324,1312 0.287,1313 0.159,1314 12.733,1315 6.818,1316 10.286,1317 0.184,1318 0.085,1319 10.575,1320 4.752,1321 8.22,1322 0.116,1323 0.045,1324 8.387,1325 3.16,1326 7.184,1327 0.075,1328 0.024,1329 7.398,1330 2.285,1331 0.294,1332 86.323,1333 0.218,1334 26.752,1335 0.518,1336 148,1337 415.734,1338 170.001,1339 445.361,1340 600.6,1341 414,1342 173,1343 418.346,1344 188.412,1345 440.845,1346 641,1347 416,1348 5.097}
{0 CHEMBL46666,1 1.74,2 11.833,3 1.484,4 2.201,5 87.683,6 8.588,7 0.48,8 3.755,9 3.86,10 3.4,11 3.248,12 5.13,13 3.275,14 4.134,15 4.256,16 3.681,17 3.544,18 5.528,19 3.556,20 4.385,21 4.542,22 3.759,23 3.581,24 5.945,25 3.586,26 4.359,27 4.561,28 3.531,29 3.382,30 5.796,31 3.37,32 4.171,33 4.405,34 3.355,35 3.191,36 5.488,37 3.194,38 4.014,39 4.194,40 3.36,41 3.152,42 5.416,43 3.2,44 4.043,45 4.191,46 3.513,47 3.167,48 5.763,49 3.243,50 4.025,51 4.147,52 3.443,53 3.053,54 5.835,55 3.144,56 0.2,57 0.567,58 5.99,59 3.057,60 21.531,61 3.226,62 0.28,63 0.795,64 9.035,65 4.435,66 26.477,67 5.106,68 0.608,69 0.905,70 14.667,71 5.601,72 79.628,73 6.772,74 0.662,75 0.839,76 16.652,77 5.03,78 79.375,79 6.383,80 0.518,81 0.714,82 14.719,83 3.755,84 59.328,85 5.137,86 0.388,87 0.611,88 11.061,89 3.207,90 50.1,91 3.625,92 0.487,93 0.593,94 11.121,95 3.68,96 80.884,97 4.177,98 0.627,99 0.565,100 10.726,101 3.162,102 99.158,103 3.159,105 17,106 32,107 0.31,108 0.573,109 0.663,110 0.738,111 0.757,112 0.757,113 3.226,114 0.816,115 -2.74,116 -2.75,117 -2.67,120 42.1,140 8,141 2,142 2,150 2,153 2,163 2,165 8,168 2,171 2,173 4,176 8,181 3,182 2,185 2,186 1,187 6,190 4,194 2,195 4,198 4,200 4,206 1,207 4,211 2,212 4,220 4,225 4,231 8,234 2,236 2,245 8,248 2,249 2,250 4,258 6,261 2,263 2,266 1,270 888,271 16.018,272 16.018,273 16.018,274 16.018,275 16.018,276 13.799,277 13.051,278 9.756,279 16.169,280 12.289,281 12.289,282 12.289,283 12.289,284 12.289,285 9.042,286 9.654,287 4.586,288 12.501,289 3.508,290 2.032,291 1.526,292 1.105,293 1,294 1,295 3.891,300 1,301 1,302 1,303 588,304 3.742,307 192.458,313 2.028,314 34.321,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 54,326 284,327 4.191,328 3.817,329 6.022,330 3.787,331 2.804,332 3.816,333 0.98,334 8.549,335 2.768,336 4.185,337 2.964,338 6.021,339 3.77,340 2.793,341 3.814,342 0.98,343 8.547,344 2.724,345 4.034,346 2.949,347 5.871,348 3.71,349 2.694,350 3.344,352 7.927,353 2.703,354 3.193,355 2.872,356 4.268,357 2.722,358 1.753,359 2.348,361 4.146,362 1.692,363 3.102,364 2.015,365 4.225,366 2.588,367 1.613,368 2.268,370 3.971,371 1.57,372 2.868,373 2.009,374 4.046,375 2.417,376 1.414,377 2.017,379 3.558,380 1.412,381 2.859,382 1.53,383 3.61,384 2.391,385 1.414,386 2.008,388 2.997,389 1.375,390 2.808,391 1.529,392 3.602,393 2.387,394 1.414,395 1.841,397 2.976,398 1.368,399 2.573,400 1.298,401 3.363,402 2.019,403 1.036,404 1.483,406 2.267,407 1.015,408 2.443,409 1.297,410 3.085,411 1.743,412 0.728,413 1.15,415 1.609,416 0.727,417 1.336,418 0.604,419 2.596,420 1.068,421 0.092,422 0.108,424 0.203,425 0.089,426 1.325,427 0.526,428 2.205,429 1.005,435 0.958,436 0.146,437 2,438 0.471,439 -0.474,440 -0.623,442 -1.042,443 -0.442,444 0.958,445 0.102,446 2,447 0.461,448 -0.51,449 -0.698,451 -1.101,452 -0.494,453 0.623,454 -0.503,455 1.836,456 0.122,457 -0.871,458 -1.25,460 -2.035,461 -0.858,462 10.933,463 0.456,464 0.511,465 0.021,466 33.5,467 1.396,468 19,469 0.792,470 14.5,471 0.604,472 13.643,473 0.568,474 25.667,475 0.675,476 25.836,477 1.077,478 7.375,479 0.307,480 4.2,481 0.175,482 0.122,484 0.274,490 0.834,491 0.941,492 0.742,493 0.873,494 0.787,495 0.797,496 0.685,497 1.273,498 0.834,499 1.195,500 0.678,501 1.081,502 0.804,503 1.176,504 0.943,505 1.181,506 0.833,507 1.132,508 1.044,509 1.077,510 1.108,511 1.049,512 1.029,513 1.099,514 1.02,515 0.926,516 0.962,517 0.754,518 0.95,519 0.796,520 1.433,521 0.974,522 1.033,523 0.823,524 1.355,525 0.777,526 1.168,527 1.119,528 0.754,529 1.012,530 1.265,531 0.803,532 1.582,533 1.252,534 1.15,535 1.055,536 1.895,537 1.005,538 4,539 0.041,540 3.111,541 1.375,542 0.764,543 0.347,544 0.488,545 0.351,546 0.173,547 0.083,548 7117,549 24975,550 1.972,551 36.8,553 8,555 2,556 4,560 1.661,561 1.846,562 3.504,563 1.86,564 1,565 1,567 1,569 66.118,570 1.74,571 3.216,572 3.722,573 4.143,574 4.248,575 4.248,576 2.855,577 3.585,578 4.561,579 3.716,580 1025.71,581 7.828,582 13244.1,583 1,584 1,586 1,587 199.421,588 1.384,589 4.513,590 0.16,591 0.003,592 0.097,593 0.043,594 0.032,595 0.017,596 0.022,597 0.014,598 0.008,599 0.006,600 0.402,601 0.17,602 1,603 0.622,604 118.361,605 -0.095,606 0.23,607 -0.032,608 0.138,609 -0.149,610 0.081,611 0.023,612 -0.147,613 -0.082,614 -0.188,615 -0.025,616 -0.17,617 0.174,618 -0.171,619 -0.021,620 -0.208,621 0.146,622 -0.193,623 0.017,624 -0.115,625 -0.069,626 -0.132,627 -0.038,628 -0.146,629 -0.063,630 0.071,631 0.11,632 0.128,633 -0.066,634 0.169,635 -0.334,636 0.052,637 -0.052,638 0.082,639 -0.226,640 0.121,641 0.091,642 -0.167,643 0.24,644 -0.058,645 0.203,646 0.112,647 -0.01,648 -0.291,649 -0.144,650 -0.162,651 -0.006,652 -0.194,653 2.698,654 4.505,655 0.5,656 23.333,657 1.03,658 1.129,659 1.509,660 2.279,661 0.675,662 3.258,663 3.497,664 3.664,665 3.714,666 3.784,667 3.611,668 3.638,669 3.611,670 3.526,671 3.497,672 7.187,673 0.673,674 326.34,675 3.258,676 4.745,677 5.541,678 6.354,679 7.162,680 7.975,681 8.785,682 9.598,683 10.41,684 11.223,685 10.5,692 2,694 2,699 8,704 4,706 12,717 2,720 38,723 16,724 2,725 25,727 39,728 16,729 12,730 4,731 8,732 4,735 2,736 2,738 2,749 16,754 4,759 2,761 2,762 2,763 2,764 1,765 1,768 14,769 8,770 4,771 8,775 4,780 1,781 4,789 2,813 2,821 24,827 2,829 2,840 10.5,842 2,843 2,847 13,848 6.467,849 5.5,850 1.896,851 3.091,852 1.486,853 0.903,854 6.197,855 9.455,856 3.584,857 4.094,858 4.58,859 4.989,860 5.396,861 5.324,862 5.562,863 5.722,864 5.848,865 6.073,866 0.875,867 32,868 8.796,870 3.665,871 8.292,872 15.711,874 11.831,877 2.792,878 67,882 117.711,883 109.685,884 69.102,886 135.657,889 109.685,890 253.368,891 69.102,893 35.776,894 75.81,895 186.703,896 39.697,898 94.169,900 117.711,901 178.788,902 135.657,905 117.711,906 135.657,909 69.102,910 91.59,911 18.095,913 117.711,914 204.759,915 109.685,918 117.711,919 15.78,920 93.905,921 35.776,922 168.983,923 117.711,924 204.759,925 109.685,927 0.567,928 0.327,929 0.151,930 0.071,931 12,932 6,933 0.128,934 5,936 1,937 3.751,938 168.057,940 12,941 86.039,945 17.343,946 8.575,947 5.297,949 204.759,950 12.742,955 0.756,957 121.143,958 432.155,959 35,964 23.01,966 2.4,967 7.133,968 -2.063,969 39.134,970 42.907,971 0.332,972 0.613,973 0.709,974 0.789,975 0.809,976 0.809,977 4.762,978 1.414,979 5.485,980 2.997,981 4.174,982 4.779,983 1.577,984 6.184,985 4.142,986 5.947,987 1.036,988 6.989,989 2.976,990 3.611,991 4.369,993 6.917,994 3.571,995 7.217,996 0.728,997 8.599,998 2.267,999 5.666,1000 6.871,1001 1.545,1002 9.934,1003 5.608,1004 8.524,1005 0.092,1006 10.27,1007 1.609,1008 5.943,1009 7.289,1011 11.499,1012 5.881,1013 9.861,1015 11.981,1016 0.203,1017 7.437,1018 9.231,1019 1.513,1020 13.99,1021 7.356,1022 11.219,1023 -0.474,1024 13.718,1026 8.103,1027 10.056,1029 15.875,1030 8.016,1031 12.594,1032 -0.51,1033 15.471,1034 -1.042,1035 9.35,1036 11.732,1037 1.481,1038 18.167,1039 9.247,1040 2.804,1041 -0.871,1042 17.236,1043 -1.101,1044 10.2,1045 12.77,1047 20.186,1048 10.087,1049 2.793,1050 8.549,1051 19.008,1052 -2.035,1053 11.331,1054 14.305,1055 1.45,1056 22.392,1057 11.203,1058 2.694,1059 8.547,1060 20.786,1061 3.816,1062 12.268,1063 15.462,1065 24.472,1066 12.128,1067 1.753,1068 7.927,1069 22.567,1070 3.814,1071 13.343,1072 16.916,1073 1.419,1074 26.64,1075 13.189,1076 1.613,1077 4.146,1078 24.351,1079 3.344,1080 14.322,1081 18.143,1083 28.749,1084 14.155,1085 1.414,1086 3.971,1087 26.136,1088 2.348,1089 15.371,1090 19.55,1091 1.388,1092 30.9,1093 15.189,1094 1.414,1095 3.558,1096 27.923,1097 2.268,1098 16.371,1099 20.818,1101 33.024,1102 16.175,1103 7071,1104 13392,1105 16.296,1106 25.648,1107 36.513,1108 38.066,1109 37.098,1110 35.598,1111 35.511,1112 48.398,1113 3.919,1114 93.5,1115 34.885,1116 5.033,1117 5.817,1118 5.715,1119 4.806,1120 4.804,1121 6.816,1122 1.96,1123 14.5,1124 4.768,1125 12.442,1126 1.461,1127 1.523,1128 1.484,1129 1.424,1130 1.42,1131 1.936,1132 0.157,1133 3.74,1134 1.395,1135 3.938,1136 3.965,1137 3.884,1138 3.858,1139 7.499,1140 3.859,1141 3.902,1142 3.927,1143 3.847,1144 3.832,1145 7.353,1146 3.831,1147 3.662,1148 3.695,1149 3.634,1150 3.372,1151 6.472,1152 3.437,1153 3.333,1154 3.419,1155 3.258,1156 3.09,1157 6.467,1158 3.115,1159 3.156,1160 3.197,1161 3.079,1162 2.989,1163 4.791,1164 3.002,1165 2.942,1166 2.975,1167 2.826,1168 2.746,1169 4.76,1170 2.751,1171 2.936,1172 2.972,1173 2.815,1174 2.746,1175 4.504,1176 2.75,1177 2.824,1178 2.89,1179 2.716,1180 2.54,1181 4.487,1182 2.584,1183 0.168,1184 0.153,1185 0.241,1186 0.151,1187 0.112,1188 4.191,1189 0.153,1190 3.817,1191 0.039,1192 6.022,1193 0.342,1194 3.787,1195 0.111,1196 2.804,1197 3.816,1198 0.98,1199 8.549,1200 2.768,1201 1.894,1202 1.871,1203 1.999,1204 1.998,1205 1.066,1206 1.996,1207 1.892,1208 1.869,1209 1.998,1210 1.987,1211 1.066,1212 1.991,1213 1.484,1214 1.454,1215 1.565,1216 1.8,1217 0.418,1218 1.734,1219 1.233,1220 1.162,1221 1.404,1222 1.527,1223 0.363,1224 1.49,1225 1.097,1226 1.058,1227 1.259,1228 1.303,1229 0.232,1230 1.288,1231 0.883,1232 0.84,1233 1.142,1234 1.149,1235 0.156,1236 1.132,1237 0.883,1238 0.839,1239 1.139,1240 1.144,1241 0.147,1242 1.131,1243 0.724,1244 0.651,1245 0.968,1246 1.032,1248 1.03,1249 3.932,1251 5.187,1253 6.632,1255 8.158,1257 9.72,1264 19.018,1266 4.005,1273 25.579,1274 66.118,1275 122.202,1276 141.421,1277 157.421,1278 161.421,1279 161.421,1280 59.712,1281 6.365,1282 123.38,1283 123.38,1284 12,1285 11.809,1286 4.087,1287 3.459,1288 48.864,1289 104,1290 80,1291 0.221,1292 163.349,1293 291.6,1294 390.332,1295 4888,1297 17.364,1298 0.723,1299 0.516,1300 17.364,1301 12.379,1302 11.575,1303 0.463,1304 0.272,1305 6.679,1306 11.032,1307 6.581,1308 5.512,1309 11.575,1310 6.801,1311 9.86,1312 0.308,1313 0.141,1314 9.86,1315 4.516,1316 8.018,1317 0.211,1318 0.074,1319 8.018,1320 2.819,1321 5.617,1322 0.14,1323 0.04,1324 5.617,1325 1.616,1326 4.033,1327 0.094,1328 0.022,1329 4.033,1330 0.947,1331 0.363,1332 73.67,1333 0.248,1334 24.333,1335 0.565,1336 114,1337 441.726,1338 128.853,1339 424.659,1340 552.66,1341 390,1342 127,1343 387.532,1344 142.16,1345 390.018,1346 553.36,1347 364,1348 4.26}
{0 CHEMBL47173,1 1.577,2 8.714,3 4.448,4 19.782,5 90.633,6 9.67,7 0.667,8 3.596,9 3.666,10 3.505,11 3.412,12 4.743,13 3.325,14 4.055,15 4.136,16 3.913,17 3.824,18 5.204,19 3.706,20 4.207,21 4.349,22 3.829,23 3.794,24 5.294,25 3.64,26 4.134,27 4.279,28 3.742,29 3.717,30 5.251,31 3.572,32 4.089,33 4.239,34 3.655,35 3.589,36 5.274,37 3.458,38 3.939,39 4.103,40 3.356,41 3.417,42 5.053,43 3.272,44 3.749,45 3.923,46 3.201,47 3.283,48 4.738,49 3.121,50 3.633,51 3.793,52 3.294,53 3.177,54 4.718,55 3.045,56 0.009,57 0.341,58 4.008,59 2.424,60 3.59,61 2.848,62 0.057,63 0.566,64 8.179,65 4.441,66 8.237,67 5.094,68 0.077,69 0.762,70 19.666,71 7.374,72 14.036,73 7.264,74 0.073,75 0.704,76 12.92,77 5.831,78 15.246,79 6.231,80 0.122,81 0.69,82 15.341,83 6.218,84 20.428,85 6.257,86 0.1,87 0.591,88 12.976,89 5.339,90 20.808,91 5.448,92 0.058,93 0.484,94 10.379,95 4.383,96 11.165,97 4.885,98 0.062,99 0.435,100 9.368,101 3.872,102 7.385,103 4.242,105 2,106 34,107 0.287,108 0.546,109 0.724,110 0.872,111 0.91,112 0.91,113 3.104,114 1.034,115 -5.08,116 -4.98,117 -4.66,120 53.1,135 1,136 1,140 8,141 1,142 1,146 1,147 3,153 1,165 8,168 1,171 1,173 3,176 12,182 2,187 3,190 12,195 2,200 1,203 10,207 4,212 2,215 7,220 1,225 1,227 8,239 7,245 2,250 2,253 4,258 1,263 1,266 5,270 513,271 14.585,272 14.585,273 14.585,274 14.585,275 14.585,276 12.445,277 7.52,278 8.634,279 14.995,280 11.887,281 11.887,282 11.887,283 11.887,284 11.887,285 8.629,286 10.692,287 4.126,288 12.584,289 3.423,290 1.999,291 1.024,292 0.211,295 3.802,301 1,302 1,303 412,304 2.121,306 145.914,307 52.863,310 79.915,313 1.279,314 11.861,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 43.5,326 183,327 4.531,328 3.654,329 6.727,330 4.177,331 3.187,332 4.134,333 1.058,334 10.953,335 3.155,336 4.289,337 2.925,338 6.183,339 3.817,340 2.914,341 3.943,343 9.227,344 2.609,345 3.811,346 2.754,347 5.537,348 3.325,349 2.39,350 3.333,352 7.197,353 2.253,354 3.574,355 2.394,356 5.229,357 3.1,358 2.112,359 2.957,361 6.275,362 2.047,363 3.147,364 1.919,365 4.752,366 2.7,367 1.734,368 2.323,370 4.956,371 1.665,372 2.952,373 1.601,374 4.341,375 2.52,376 1.574,377 2.102,379 4.157,380 1.472,381 2.839,382 1.492,383 3.617,384 2.359,385 1.354,386 1.97,388 2.935,389 1.358,390 2.48,391 1.012,392 3.543,393 1.928,394 0.95,395 1.398,397 2.266,398 0.921,399 2.246,400 0.799,401 3.3,402 1.686,403 0.719,404 1.057,406 1.824,407 0.686,408 2.118,409 0.618,410 3.198,411 1.492,412 0.618,413 0.927,415 1.544,416 0.523,417 2.118,418 0.618,419 3,420 1.453,421 0.618,422 0.927,424 1.372,425 0.501,426 1.323,427 0.527,428 2.78,429 0.886,430 -0.098,431 -0.133,433 -0.255,434 -0.095,435 0.815,436 -0.28,437 2.334,438 0.389,439 -0.624,440 -0.833,442 -1.614,443 -0.624,444 0.517,445 -0.804,446 2.113,447 0.059,448 -0.924,449 -1.182,451 -2.388,452 -0.893,453 0.401,454 -0.896,455 2,456 0.007,457 -1,458 -1.432,460 -2.521,461 -1.011,462 10.9,463 0.519,464 0.448,465 0.021,466 30.25,467 1.44,468 17.5,469 0.833,470 12.75,471 0.607,472 14.329,473 0.682,474 19.7,475 0.616,476 17.783,477 0.847,478 5.717,479 0.272,480 4.593,481 0.219,482 0.031,484 0.321,490 0.642,491 0.749,492 0.674,493 0.649,494 0.544,495 0.657,496 0.521,497 0.925,498 0.888,499 0.879,500 0.543,501 0.872,502 1.013,503 1.091,504 1.113,505 1.111,506 0.949,507 1.059,508 1.137,509 0.963,510 1.015,511 0.962,512 1.024,513 0.985,514 1.331,515 1.08,516 1.066,517 1.126,518 1.489,519 1.018,520 1.522,521 1.012,522 1.121,523 1.028,524 1.606,525 1.039,526 0.888,527 0.931,528 1.022,529 0.976,530 0.874,531 1.01,532 0.645,533 1.098,534 0.86,535 1.069,536 0.761,537 0.938,538 3.5,539 0.015,540 2.222,541 1.514,542 0.877,543 0.441,544 0.208,545 0.221,546 0.136,547 0.054,548 4787,549 13606,550 2.215,551 34.4,553 9,554 1,556 1,560 1.63,561 2.136,562 3.115,563 -0.338,565 1,569 50.459,570 1.577,571 3.001,572 3.976,573 4.789,574 5,575 5,576 2.529,577 3.916,578 4.367,579 3.254,580 683.35,581 7.469,582 7170.68,584 1,586 1,587 160,588 1.166,589 4.35,590 0.146,591 0.003,592 0.065,593 0.052,594 0.032,595 0.018,596 0.011,597 0.014,598 0.008,599 0.004,600 0.354,601 0.5,602 1,603 0.418,604 94.458,605 -0.047,606 0.105,607 0.045,608 0.101,609 -0.071,610 0.079,611 0.151,612 -0.044,613 -0.017,614 -0.02,615 0.032,616 -0.075,617 -0.065,618 -0.122,619 -0.064,620 -0.097,621 -0.016,622 -0.102,623 -0.112,624 0.023,625 -0.048,626 -0.002,627 -0.026,628 -0.05,629 0.001,630 -0.098,631 -0.027,632 -0.106,633 -0.019,634 -0.039,635 -0.21,636 -0.019,637 -0.138,638 -0.036,639 -0.174,640 -0.05,641 -0.071,642 0.034,643 -0.043,644 0.011,645 -0.076,646 0.01,647 0.253,648 -0.126,649 0.173,650 -0.058,651 0.115,652 0.068,653 1.692,654 5.098,655 0.905,656 14.531,657 1,658 1.082,659 3.847,660 14.802,661 0.799,662 3.219,663 3.555,664 3.871,665 4.174,666 4.277,667 4.344,668 4.466,669 4.595,670 4.564,671 4.615,672 5.273,673 0.742,674 309.43,675 3.219,676 4.762,677 5.631,678 6.521,679 7.405,680 8.299,681 9.189,682 10.084,683 10.976,684 11.872,685 3.1,692 1,699 9,703 2,704 5,706 16,720 32,723 18,724 1,725 24,727 35,728 17,729 14,730 2,731 4,732 3,735 4,736 5,749 17,754 2,759 1,761 1,763 2,765 1,768 11,769 2,770 1,771 4,772 2,775 1,780 0.75,781 1,788 3,789 1,792 1,800 1,805 1,806 1,813 3,815 2,821 21,829 1,837 2,840 3.1,843 1,847 9.833,848 5.833,849 4.528,850 1.847,851 3.567,852 1.502,853 1.077,854 3.226,855 10.67,856 3.555,857 4.174,858 4.804,859 5.407,860 5.787,861 6.155,862 6.578,863 7.014,864 7.3,865 7.627,866 0.833,867 29,868 7.749,870 3.381,871 7.635,872 14.981,874 12.745,877 2.135,878 44.833,879 0.001,882 117.711,883 173.398,884 18.011,886 25.145,888 62.555,889 110.843,890 142.856,891 18.011,893 18.011,894 92.935,895 29.85,896 9.128,897 15.846,898 168.495,900 117.711,901 128.854,902 25.145,903 62.555,905 117.711,906 25.145,909 18.011,910 101.367,911 9.476,912 62.555,913 117.711,914 43.156,915 173.398,918 117.711,919 80.463,920 92.935,921 18.011,922 25.145,923 117.711,924 43.156,925 173.398,927 0.582,928 0.349,929 0.2,930 0.096,931 19,932 7,933 0.057,934 2,935 1,936 1.105,937 3.471,938 168.098,939 0.105,940 19,941 92.239,942 2,945 12.96,946 5.227,947 2.357,949 43.156,950 18.229,954 3.44,955 5.474,957 18.011,958 334.265,959 34,964 12.098,966 1.975,968 0.715,969 32,970 34.624,971 0.315,972 0.6,973 0.795,974 0.958,975 1,976 1,977 4.779,978 0.95,979 5.609,980 2.935,981 4.234,982 4.86,983 1.176,984 6.435,985 4.133,986 5.994,987 0.719,988 7.169,989 2.266,990 3.761,991 4.527,993 7.334,994 3.624,995 7.301,996 0.618,997 8.831,998 1.824,999 5.832,1000 7.051,1001 1.255,1002 10.468,1003 5.648,1004 8.649,1005 0.618,1006 10.555,1007 1.544,1008 6.256,1009 7.622,1011 12.249,1012 6.03,1013 10.031,1014 -0.098,1015 12.32,1016 1.372,1017 7.741,1018 9.51,1019 1.338,1020 14.869,1021 7.494,1022 11.438,1023 -0.624,1024 14.112,1025 -0.255,1026 8.564,1027 10.499,1029 17.002,1030 8.287,1031 12.863,1032 -0.924,1033 15.925,1034 -1.614,1035 9.829,1036 12.121,1037 1.422,1038 19.457,1039 9.54,1040 3.187,1041 -1,1042 17.753,1043 -2.388,1044 10.829,1045 13.316,1047 21.733,1048 10.524,1049 2.914,1050 10.953,1051 19.593,1052 -2.521,1053 12.011,1054 14.819,1055 1.51,1056 24.134,1057 11.699,1058 2.39,1059 9.227,1060 21.442,1061 4.134,1062 13.088,1063 16.116,1065 26.471,1066 12.769,1067 2.112,1068 7.197,1069 23.299,1070 3.943,1071 14.241,1072 17.564,1073 1.599,1074 28.857,1075 13.917,1076 1.734,1077 6.275,1078 25.162,1079 3.333,1080 15.354,1081 18.912,1083 31.22,1084 15.026,1085 1.574,1086 4.956,1087 27.03,1088 2.957,1089 16.497,1090 20.336,1091 1.69,1092 33.603,1093 16.168,1094 1.354,1095 4.157,1096 28.903,1097 2.323,1098 17.626,1099 21.711,1101 35.978,1102 17.296,1103 4430,1104 7588,1105 16.701,1106 25.563,1107 37.043,1108 37.426,1109 36.52,1110 36.214,1111 36.338,1112 50.144,1113 2.117,1114 105.415,1115 34.381,1116 5.34,1117 5.654,1118 6.408,1119 5.327,1120 5.187,1121 7.134,1122 2.117,1123 17.868,1124 5.155,1125 5.419,1126 1.543,1127 1.559,1128 1.522,1129 1.509,1130 1.514,1131 2.089,1132 0.088,1133 4.392,1134 1.433,1135 4.046,1136 4.061,1137 4.353,1138 4.066,1139 7.429,1140 4.003,1141 3.919,1142 3.925,1143 4.062,1144 3.91,1145 4.817,1146 3.88,1147 3.67,1148 3.683,1149 3.922,1150 3.709,1151 4.73,1152 3.629,1153 3.417,1154 3.443,1155 3.376,1156 3.297,1157 4.504,1158 3.299,1159 2.983,1160 3.046,1161 2.884,1162 2.821,1163 4.054,1164 2.827,1165 2.73,1166 2.791,1167 2.683,1168 2.609,1169 3.809,1170 2.598,1171 2.601,1172 2.613,1173 2.681,1174 2.439,1175 3.489,1176 2.441,1177 2.501,1178 2.57,1179 2.601,1180 2.406,1181 3.24,1182 2.369,1183 0.189,1184 0.152,1185 0.28,1186 0.174,1187 0.133,1188 4.531,1189 0.172,1190 3.654,1191 0.044,1192 6.727,1193 0.456,1194 4.177,1195 0.131,1196 3.187,1197 4.134,1198 1.058,1199 10.953,1200 3.155,1201 1.895,1202 1.874,1203 1.993,1204 1.961,1205 1.115,1206 1.974,1207 1.624,1208 1.61,1209 1.735,1210 1.737,1211 0.864,1212 1.732,1213 1.604,1214 1.6,1215 1.661,1216 1.645,1217 0.831,1218 1.673,1219 1.416,1220 1.394,1221 1.499,1222 1.5,1223 0.644,1224 1.536,1225 1.242,1226 1.227,1227 1.25,1228 1.356,1229 0.436,1230 1.396,1231 0.995,1232 0.962,1233 1.134,1234 1.133,1235 0.249,1236 1.177,1237 0.854,1238 0.846,1239 1.063,1240 0.979,1241 0.171,1242 1.016,1243 0.776,1244 0.723,1245 0.856,1246 0.873,1247 0.061,1248 0.945,1249 3.892,1251 5.22,1252 3.434,1253 6.727,1254 5.733,1255 8.318,1256 7.774,1257 9.956,1266 2.902,1273 23.744,1274 50.459,1275 96.026,1276 127.245,1277 153.245,1278 160,1279 160,1280 24.441,1281 7.102,1282 32.86,1283 89.34,1284 21,1285 12.397,1286 4.248,1287 3.459,1288 28.089,1289 67,1290 56,1291 0.209,1292 150.972,1293 253.57,1294 360.133,1295 11146,1297 14.234,1298 0.678,1299 0.601,1300 14.941,1301 12.631,1302 10.31,1303 0.43,1304 0.345,1305 6.691,1306 9.233,1307 6.387,1308 5.267,1309 11.172,1310 8.269,1311 9.305,1312 0.274,1313 0.2,1314 10.557,1315 6.8,1316 8.177,1317 0.174,1318 0.117,1319 9.672,1320 5.485,1321 7.144,1322 0.112,1323 0.066,1324 8.65,1325 4.192,1326 5.178,1327 0.073,1328 0.036,1329 6.294,1330 2.539,1331 0.324,1332 71.467,1333 0.245,1334 20.752,1335 0.585,1336 116,1337 305.789,1338 168.173,1339 346.613,1340 482.52,1341 326,1342 139,1343 329.033,1344 186.035,1345 367.417,1346 541.64,1347 348,1348 4.824}
{0 CHEMBL47394,1 1.52,2 9.1,3 3.139,4 9.852,5 75.504,6 7.833,7 0.545,8 3.632,9 3.739,10 3.252,11 3.218,12 4.788,13 3.205,14 4.104,15 4.257,16 3.536,17 3.56,18 5.263,19 3.512,20 4.313,21 4.499,22 3.509,23 3.634,24 5.376,25 3.553,26 4.378,27 4.606,28 3.393,29 3.458,30 5.648,31 3.399,32 4.103,33 4.303,34 3.423,35 3.33,36 5.389,37 3.319,38 4.098,39 4.277,40 3.328,41 3.206,42 5.534,43 3.226,44 3.83,45 3.983,46 2.96,47 3.02,48 5.209,49 2.99,50 3.698,51 3.931,52 2.569,53 2.966,54 4.654,55 2.829,56 0.012,57 0.477,58 6.006,59 2.949,60 4.768,61 3.666,62 0.281,63 0.753,64 11.118,65 4.69,66 10.094,67 6.135,68 0.057,69 0.866,70 14.671,71 6.503,72 20.195,73 8.523,74 0.425,75 0.891,76 18.751,77 5.92,78 79.83,79 7.486,80 0.109,81 0.7,82 12.773,83 4.624,84 19.895,85 5.946,86 0.271,87 0.651,88 13.493,89 4.155,90 49.636,91 4.55,92 0.214,93 0.495,94 9.692,95 3.3,96 41.357,97 3.48,98 0.137,99 0.439,100 9.082,101 3.593,102 25.559,103 4.717,105 5,106 30,107 0.278,108 0.477,109 0.529,110 0.611,111 0.641,112 0.641,113 3.057,114 0.881,115 -4.22,116 -4.16,117 -3.93,120 47.1,126 2,140 10,141 2,154 2,165 12,167 5,168 2,176 12,182 4,190 6,194 1,195 10,207 14,220 12,227 1,231 6,239 4,253 8,266 10,270 468,271 13.69,272 13.69,273 13.69,274 13.69,275 13.69,276 11.977,277 14.001,278 8.289,279 13.852,280 10.869,281 10.869,282 10.869,283 10.869,284 10.869,285 8.33,286 18.411,287 3.984,288 11.103,289 3.568,290 2.483,291 2.198,292 1.75,293 1.588,294 1.588,295 3.736,300 1,301 1,302 1,303 394,304 2.236,305 49.314,307 142.195,313 1.7,314 20.048,316 1,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 43,326 182,327 4.472,328 4.141,329 6.953,330 4.248,331 3.303,332 3.723,333 1.957,334 11.626,335 3.107,336 3.905,337 3.132,338 5.514,339 3.533,340 2.542,341 3.449,342 1.386,343 7.374,344 2.519,345 3.848,346 2.798,347 5.318,348 3.438,349 2.439,350 3.38,351 0.769,352 6.88,353 2.434,354 3,355 2.698,356 4.879,357 2.632,358 1.673,359 2.141,360 0.485,361 4.864,362 1.605,363 2.979,364 1.895,365 4.732,366 2.472,367 1.462,368 2.062,370 4,371 1.47,372 2.899,373 1.735,374 3.645,375 2.461,376 1.414,377 2,379 3.11,380 1.46,381 2.5,382 1.388,383 3.572,384 2.183,385 1.227,386 1.5,388 2.908,389 1.168,390 2.5,391 1.384,392 3.247,393 2,394 1,395 1.5,397 2.136,398 1,399 2.441,400 1,401 3.247,402 2,403 1,404 1.435,406 2.136,407 1,408 1.75,409 1,410 3.041,411 1.315,412 0.299,413 0.38,415 0.763,416 0.299,417 0.941,418 0.173,419 2.653,420 0.639,421 -0.342,422 -0.405,424 -0.862,425 -0.334,426 0.926,427 -0.033,428 2,429 0.505,430 -0.556,431 -0.796,433 -1.228,434 -0.584,435 0.5,436 -0.332,437 1.807,439 -1,440 -1.456,442 -2.347,443 -1,444 0.5,445 -0.801,446 1.555,448 -1,449 -1.5,451 -2.347,452 -1,453 0.3,454 -1,455 1.555,456 -0.104,457 -1.114,458 -1.5,460 -2.745,461 -1.111,462 9.467,463 0.473,464 0.418,465 0.021,466 28,467 1.4,468 15,469 0.75,470 13,471 0.65,472 11.494,473 0.575,474 20.533,475 0.604,476 18.593,477 0.93,478 5.895,479 0.295,480 3.859,481 0.193,482 0.07,484 0.296,490 0.61,491 1.335,492 0.703,493 1.041,494 0.498,495 0.912,496 0.396,497 0.87,498 0.899,499 0.934,500 0.559,501 0.986,502 0.666,503 1.352,504 0.97,505 1.337,506 0.734,507 1.233,508 1.549,509 0.89,510 1.123,511 0.797,512 1.462,513 0.863,514 1.15,515 1.149,516 0.75,517 0.984,518 0.955,519 0.82,520 2.379,521 0.91,522 1.159,523 0.796,524 2.356,525 0.772,526 2.408,527 1.014,528 1.543,529 1.035,530 2.49,531 1.131,532 0.983,533 0.706,534 1.147,535 0.864,536 1.02,537 1.011,538 3,539 0.016,540 1.778,541 1.75,542 1.084,543 0.764,544 0.327,545 0.205,546 0.066,547 0.009,548 4098,549 10942,550 2.107,551 41.2,553 14,560 1.615,561 2,562 3.178,563 -0.787,565 1,567 1,569 51.671,570 1.52,571 2.604,572 2.89,573 3.337,574 3.499,575 3.499,576 2.722,577 2.722,578 4.292,579 3.322,580 631.221,581 7.319,582 6543.53,583 1,584 1,585 1,586 1,587 172.974,588 1.295,589 4.266,590 0.136,591 0.002,592 0.063,593 0.067,594 0.049,595 0.032,596 0.016,597 0.015,598 0.007,599 0.001,600 0.388,601 0.67,602 1,603 0.548,604 89.447,605 -0.009,606 -0.246,607 0.057,608 -0.086,609 -0.029,610 -0.023,611 0.375,612 0.229,613 -0.052,614 0.001,615 0.03,616 -0.089,617 0.045,618 -0.401,619 -0.066,620 -0.351,621 -0.029,622 -0.252,623 -0.11,624 0.101,625 -0.045,626 0.13,627 -0.013,628 0.072,629 -0.005,630 -0.142,631 0.246,632 -0.047,633 0.157,634 0.116,635 -0.397,636 0.09,637 -0.073,638 0.108,639 -0.198,640 0.085,641 -0.529,642 -0.026,643 -0.527,644 -0.117,645 -0.387,646 -0.285,647 -0.175,648 0.203,649 -0.161,650 0.149,651 -0.156,652 0.022,653 1.9,654 5.012,655 0.8,656 15.8,657 1.005,658 1.115,659 2.986,660 8.917,661 0.691,662 3.135,663 3.434,664 3.714,665 3.892,666 4.043,667 4.007,668 4.111,669 4.174,670 4.174,671 4.043,672 5.448,673 0.666,674 266.32,675 3.135,676 4.654,677 5.501,678 6.372,679 7.242,680 8.125,681 9.008,682 9.898,683 10.789,684 11.686,685 5.9,692 2,699 10,704 2,706 12,720 34,723 14,724 2,725 22,727 36,728 16,729 12,730 2,731 10,735 3,736 3,740 2,749 14,750 2,754 2,759 2,763 2,764 1,765 1,768 14,769 4,771 4,775 2,777 2,780 1,781 2,787 1,789 2,813 3,821 20,828 2,834 2,840 5.9,843 2,847 10,848 6.067,849 4.444,850 1.956,851 2.008,852 1.308,853 0.996,854 3.421,855 8.535,856 3.434,857 3.951,858 4.437,859 4.869,860 5.277,861 5.116,862 5.416,863 5.734,864 5.99,865 5.901,866 1,867 26,868 7.41,870 3.183,871 7.883,872 13.973,874 11.387,877 2.383,878 47.667,879 0.001,882 164.795,883 113.897,884 6.249,886 50.29,889 113.897,890 215.085,891 6.249,893 10.46,894 94.762,895 50.29,896 6.371,897 8.552,898 164.795,900 164.795,901 120.145,902 50.29,905 164.795,906 50.29,909 10.46,910 109.685,913 164.795,914 56.538,915 113.897,918 164.795,919 19.134,920 101.011,922 50.29,923 164.795,924 56.538,925 113.897,927 0.573,928 0.338,929 0.178,930 0.094,931 15,932 6,933 0.111,934 4,936 1,937 3.391,938 145.046,940 16,941 58.439,945 12.733,946 5.374,947 2.555,949 56.538,950 19.007,955 1.905,958 335.231,959 30,964 24.024,968 -0.467,969 34.16,970 37.907,971 0.299,972 0.512,973 0.568,974 0.656,975 0.688,976 0.688,977 4.644,978 1,979 5.468,980 2.908,981 4.111,982 4.635,983 2.512,984 6.271,985 4.064,986 5.816,987 1,988 7.018,989 2.136,990 3.611,991 4.159,992 1.853,993 7.159,994 3.509,995 7.098,996 0.299,997 8.679,998 2.136,999 5.707,1000 6.676,1001 3.264,1002 10.386,1003 5.574,1004 8.417,1005 -0.342,1006 10.409,1007 0.763,1008 6.133,1009 7.007,1010 3.301,1011 12.211,1012 5.916,1013 9.773,1014 -0.556,1015 12.188,1016 -0.862,1017 7.662,1018 8.98,1019 4.313,1020 14.956,1021 7.412,1022 11.155,1023 -1,1024 14.004,1025 -1.228,1026 8.514,1027 9.69,1028 4.679,1029 17.148,1030 8.172,1031 12.558,1032 -1,1033 15.846,1034 -2.347,1035 9.821,1036 11.405,1037 5.511,1038 19.724,1039 9.435,1040 3.303,1041 -1.114,1042 17.711,1043 -2.347,1044 10.865,1045 12.318,1046 6.035,1047 22.065,1048 10.39,1049 2.542,1050 11.626,1051 19.592,1052 -2.745,1053 12.09,1054 13.886,1055 6.783,1056 24.574,1057 11.561,1058 2.439,1059 7.374,1060 21.485,1061 3.723,1062 13.218,1063 14.922,1064 7.383,1065 26.978,1066 12.607,1067 1.673,1068 6.88,1069 23.39,1070 3.449,1071 14.416,1072 16.4,1073 8.091,1074 29.457,1075 13.744,1076 1.462,1077 4.864,1078 25.302,1079 3.38,1080 15.581,1081 17.516,1082 8.728,1083 31.888,1084 14.833,1085 1.414,1086 4,1087 27.22,1088 2.141,1089 16.772,1090 18.934,1091 9.417,1092 34.353,1093 15.961,1094 1.227,1095 3.11,1096 29.143,1097 2.062,1098 17.952,1099 20.105,1100 10.071,1101 36.796,1102 17.07,1103 3954,1104 6564,1105 14.909,1106 23.489,1107 33.315,1108 34.56,1109 33.75,1110 32.745,1111 32.718,1112 43.139,1113 9.195,1114 91.591,1115 32.122,1116 5.472,1117 6.141,1118 6.755,1119 5.348,1120 5.303,1121 6.723,1122 3.343,1123 19.626,1124 5.107,1125 7.258,1126 1.514,1127 1.571,1128 1.534,1129 1.488,1130 1.487,1131 1.961,1132 0.418,1133 4.163,1134 1.46,1135 3.99,1136 4.027,1137 3.938,1138 3.884,1139 7.458,1140 3.885,1141 3.888,1142 3.92,1143 3.813,1144 3.832,1145 7.398,1146 3.824,1147 3.736,1148 3.77,1149 3.693,1150 3.498,1151 4.765,1152 3.551,1153 3.155,1154 3.23,1155 3.005,1156 3.012,1157 4.738,1158 3.001,1159 2.966,1160 3.016,1161 2.834,1162 2.822,1163 4.047,1164 2.822,1165 2.854,1166 2.925,1167 2.687,1168 2.735,1169 3.787,1170 2.715,1171 2.854,1172 2.925,1173 2.687,1174 2.735,1175 3.674,1176 2.715,1177 2.685,1178 2.621,1179 2.687,1180 2.278,1181 3.674,1182 2.376,1183 0.203,1184 0.188,1185 0.316,1186 0.193,1187 0.15,1188 4.472,1189 0.169,1190 4.141,1191 0.089,1192 6.953,1193 0.528,1194 4.248,1195 0.141,1196 3.303,1197 3.723,1198 1.957,1199 11.626,1200 3.107,1201 1.932,1202 1.901,1203 2.053,1204 2.071,1205 1.189,1206 2.057,1207 1.901,1208 1.871,1209 2.031,1210 1.981,1211 1.142,1212 2,1213 1.61,1214 1.571,1215 1.705,1216 1.851,1217 0.81,1218 1.817,1219 1.163,1220 1.095,1221 1.438,1222 1.361,1223 0.641,1224 1.392,1225 0.946,1226 0.903,1227 1.181,1228 1.15,1229 0.218,1230 1.162,1231 0.886,1232 0.821,1233 1.181,1234 1.062,1235 0.218,1236 1.107,1237 0.886,1238 0.821,1239 1.148,1240 1.062,1241 0.184,1242 1.107,1243 0.506,1244 0.413,1245 0.897,1246 0.811,1248 0.812,1249 3.807,1251 5.153,1253 6.73,1255 8.396,1257 10.106,1265 0.674,1271 2.524,1273 22.633,1274 51.671,1275 88.535,1276 98.245,1277 113.464,1278 118.974,1279 118.974,1280 32.585,1281 6.526,1282 44,1283 44,1284 16,1285 12.212,1286 3.907,1287 3.17,1288 30.048,1289 66,1290 56,1291 0.23,1292 140.23,1293 244.94,1294 333.92,1295 5194,1297 13.949,1298 0.697,1299 0.545,1300 13.949,1301 10.899,1302 9.754,1303 0.443,1304 0.294,1305 6.385,1306 9.453,1307 6.25,1308 5.196,1309 9.754,1310 6.464,1311 8.525,1312 0.284,1313 0.157,1314 8.525,1315 4.709,1316 7.362,1317 0.184,1318 0.082,1319 7.362,1320 3.291,1321 5.81,1322 0.121,1323 0.045,1324 5.81,1325 2.163,1326 4.443,1327 0.079,1328 0.025,1329 4.443,1330 1.415,1331 0.36,1332 60.754,1333 0.259,1334 20.178,1335 0.634,1336 104,1337 314.761,1338 114.256,1339 305.202,1340 412.06,1341 284,1342 122,1343 298.315,1344 133.312,1345 303.371,1346 444.88,1347 284,1348 9.161}
{0 CHEMBL47606,1 1.344,2 9.885,3 5.572,4 31.049,5 101.679,6 7.893,7 0.793,8 3.856,9 3.947,10 3.48,11 3.539,12 5.048,13 3.507,14 4.317,15 4.438,16 3.843,17 3.921,18 5.566,19 3.873,20 4.567,21 4.727,22 3.898,23 4.053,24 5.7,25 3.98,26 4.637,27 4.837,28 3.782,29 3.984,30 5.714,31 3.892,32 4.542,33 4.753,34 3.788,35 3.904,36 5.653,37 3.828,38 4.424,39 4.578,40 3.794,41 3.865,42 5.67,43 3.815,44 4.516,45 4.679,46 3.72,47 3.838,48 5.803,49 3.781,50 4.462,51 4.667,52 3.524,53 3.738,54 5.596,55 3.643,56 0.026,57 0.487,58 7.279,59 3.757,60 8.022,61 4.589,62 0.131,63 0.798,64 12.49,65 6.168,66 30.273,67 7.884,68 0.072,69 1.068,70 17.457,71 8.122,72 22.135,73 10.422,74 0.167,75 1.183,76 21.125,77 8.92,78 37.474,79 11.39,80 0.212,81 1.082,82 19.683,83 8.271,84 34.096,85 11.062,86 0.059,87 0.909,88 15.385,89 6.992,90 20.512,91 8.718,92 0.225,93 0.999,94 18.443,95 7.491,96 51.331,97 8.474,98 0.18,99 0.94,100 18.796,101 7.929,102 41.682,103 9.83,105 11,106 41,107 0.229,108 0.49,109 0.63,110 0.797,111 0.834,112 0.858,113 3.305,114 0.871,115 -4.68,116 -4.59,117 -4.32,120 53.5,121 1,140 13,141 6,144 2,153 1,162 1,164 1,165 20,166 1,168 5,171 1,173 1,176 25,177 2,182 7,187 2,190 23,195 4,196 1,203 18,204 2,206 1,207 5,210 1,212 2,215 17,216 4,220 7,225 4,227 18,228 4,231 5,236 4,239 18,240 3,245 3,250 3,253 17,254 3,258 3,263 3,266 14,267 1,270 1004,271 17.602,272 17.602,273 17.602,274 17.602,275 17.602,276 14.845,277 4.703,278 10.312,279 17.659,280 14.331,281 14.331,282 14.331,283 14.331,284 14.331,285 10.178,286 3.121,287 4.933,288 14.432,289 4.082,290 2.552,291 1.73,292 0.75,293 0.529,294 0.39,295 4.004,301 1,302 1,303 563,304 2.646,307 288.122,311 110.409,313 1.364,314 20.09,317 1,318 1,319 1,320 0.6,322 1,323 1,324 0.8,325 54.5,326 257,327 4.485,328 3.583,329 6.38,330 4.065,331 3.079,332 4.371,333 1.437,334 9.904,335 3.037,336 4.339,337 3.025,338 6.189,339 3.892,340 2.896,341 4.068,343 9.235,344 2.883,345 4.039,346 2.871,347 5.95,348 3.65,349 2.651,350 3.619,352 8.402,353 2.643,354 3.85,355 2.625,356 5.804,357 3.48,358 2.486,359 3.268,361 7.8,362 2.462,363 3.627,364 2.411,365 5.04,366 3.251,367 2.256,368 3.007,370 6.072,371 2.242,372 3.118,373 1.929,374 4.536,375 2.618,376 1.622,377 2.427,379 4.586,380 1.618,381 3.108,382 1.618,383 4.392,384 2.61,385 1.618,386 2.366,388 4.271,389 1.596,390 2.895,391 1.491,392 4.145,393 2.404,394 1.407,395 2.07,397 3.535,398 1.4,399 2.668,400 1.347,401 3.7,402 2.174,403 1.183,404 1.749,406 2.931,407 1.172,408 2.586,409 1.191,410 3.605,411 2.037,412 1.05,413 1.534,415 2.612,416 1.021,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.15,427 0.654,428 3.165,429 1.651,430 0.653,431 0.977,433 1.536,434 0.652,435 1.181,436 0.436,437 2.731,438 0.846,439 -0.15,440 -0.189,442 -0.34,443 -0.149,444 1.088,445 0.061,446 2.635,447 0.643,448 -0.349,449 -0.486,451 -0.905,452 -0.345,453 0.882,454 -0.345,455 2.255,456 0.382,457 -0.618,458 -0.917,460 -1.596,461 -0.618,462 12.567,463 0.483,464 0.661,465 0.025,466 39,467 1.5,468 23.5,469 0.904,470 15.5,471 0.596,472 16.909,473 0.65,474 25.233,475 0.587,476 28.793,477 1.107,478 7.864,479 0.302,480 4.734,481 0.182,482 0.093,484 0.358,490 0.72,491 0.887,492 0.736,493 0.819,494 0.74,495 0.788,496 0.4,497 1.001,498 0.765,499 0.919,500 0.374,501 0.891,502 0.702,503 1.146,504 0.977,505 1.078,506 0.63,507 1.06,508 1.026,509 1.074,510 1.062,511 1.012,512 0.992,513 1.03,514 0.614,515 0.865,516 0.751,517 0.829,518 0.622,519 0.805,520 0.993,521 1.141,522 0.907,523 1.096,524 0.883,525 1.006,526 1.955,527 0.99,528 1.247,529 1.017,530 1.932,531 1.038,532 1.402,533 0.913,534 1.068,535 0.979,536 1.484,537 0.988,538 5.5,539 0.07,540 3.111,541 1,542 1.511,543 1.264,544 0.506,545 0.46,546 0.406,547 0.121,548 7755,549 19929,550 2.124,551 39.5,552 3,553 13,556 1,560 1.695,561 2,562 3.273,563 -0.446,569 57.801,570 1.344,571 2.875,572 3.697,573 4.676,574 4.897,575 5.037,576 2.705,577 4.056,578 4.671,579 3.394,580 1102.89,581 8.121,582 13472,587 233.329,588 1.37,589 4.637,590 0.19,591 0.006,592 0.076,593 0.024,594 0.042,595 0.034,596 0.014,597 0.014,598 0.015,599 0.006,600 0.42,601 0.67,602 1,603 0.721,604 125.552,605 -0.054,606 0.045,607 0.022,608 0.075,609 -0.118,610 0.059,611 0.231,612 -0.05,613 0.043,614 -0.006,615 0.228,616 -0.006,617 -0.028,618 -0.162,619 -0.103,620 -0.147,621 0.008,622 -0.137,623 -0.094,624 -0.052,625 -0.088,626 -0.052,627 -0.123,628 -0.065,629 0.222,630 0.161,631 0.24,632 0.146,633 0.144,634 0.186,635 0.014,636 -0.165,637 0.004,638 -0.16,639 0.109,640 -0.091,641 -0.274,642 0.013,643 -0.249,644 -0.073,645 -0.237,646 -0.139,647 -0.116,648 0.036,649 -0.03,650 0.026,651 -0.13,652 0.011,653 2.622,654 4.607,655 0.846,656 21.941,657 0.996,658 1.099,659 3.447,660 11.878,661 0.721,662 3.401,663 3.738,664 4.007,665 4.263,666 4.585,667 4.663,668 4.812,669 4.949,670 5.1,671 5.106,672 5.812,673 0.69,674 339.41,675 3.401,676 4.949,677 5.802,678 6.681,679 7.554,680 8.437,681 9.318,682 10.203,683 11.087,684 11.974,685 2.3,695 1,698 2,699 13,700 1,704 6,706 23,711 1,720 43,723 24,724 3,725 29,727 46,728 23,729 21,730 5,731 11,732 1,735 4,736 5,741 1,749 22,750 1,754 1,759 1,763 1,768 17,769 3,770 1,771 3,775 1,780 0.75,781 2,785 1,789 4,793 1,811 1,813 3,817 1,821 26,827 1,840 4.7,842 1,843 1,847 13,848 8.15,849 5.611,850 2.525,851 4.405,852 1.584,853 1.012,854 4.081,855 11.945,856 3.75,857 4.413,858 5.051,859 5.674,860 6.336,861 6.683,862 7.187,863 7.66,864 8.161,865 8.482,866 0.857,867 42,868 9.589,870 4.134,871 7.769,872 18.234,874 15.119,877 2.269,878 59,882 188.338,883 156.328,884 16.786,886 67.828,889 156.328,890 256.166,891 16.786,892 8.825,894 123.191,895 85.524,896 23.402,898 188.338,900 188.338,901 173.114,902 67.828,905 188.338,906 67.828,909 14.339,910 141.989,911 16.786,913 188.338,914 84.614,915 156.328,918 188.338,919 24.312,920 132.016,922 84.614,923 188.338,924 84.614,925 156.328,927 0.587,928 0.338,929 0.176,930 0.108,931 21,932 9,933 0.065,934 3,935 1,936 1.091,937 3.767,938 226.575,939 0.091,940 22,941 116.211,945 16.197,946 6.55,947 3.289,948 2.244,949 84.614,950 25.33,951 4.729,955 4.511,957 42.683,958 429.279,959 41.5,964 11.607,968 -0.956,969 42.825,970 47.239,971 0.248,972 0.53,973 0.681,974 0.862,975 0.902,976 0.928,977 4.968,978 1.407,979 5.79,980 4.271,981 4.419,982 5.1,983 1.635,984 6.592,985 4.404,986 6.202,987 1.183,988 7.344,989 3.535,990 4.007,991 4.902,993 7.448,994 3.981,995 7.517,996 1.05,997 8.994,998 2.931,999 6.009,1000 7.367,1001 2.253,1002 10.523,1003 5.978,1004 8.866,1005 1,1006 10.699,1007 2.612,1008 6.382,1009 7.965,1011 12.168,1012 6.338,1013 10.244,1014 0.653,1015 12.438,1016 2.275,1017 7.864,1018 9.898,1019 2.922,1020 14.743,1021 7.815,1022 11.642,1023 -0.15,1024 14.199,1025 1.536,1026 8.603,1027 10.894,1029 16.72,1030 8.54,1031 13.055,1032 -0.349,1033 15.976,1034 -0.34,1035 9.863,1036 12.58,1037 3.619,1038 19.103,1039 9.792,1040 3.079,1041 -0.618,1042 17.765,1043 -0.905,1044 10.781,1045 13.789,1047 21.231,1048 10.697,1049 2.896,1050 9.904,1051 19.561,1052 -1.596,1053 11.942,1054 15.352,1055 4.33,1056 23.539,1057 11.849,1058 2.651,1059 9.235,1060 21.364,1061 4.371,1062 12.95,1063 16.676,1065 25.738,1066 12.843,1067 2.486,1068 8.402,1069 23.172,1070 4.068,1071 14.07,1072 18.18,1073 5.047,1074 28.016,1075 13.954,1076 2.256,1077 7.8,1078 24.984,1079 3.619,1080 15.123,1081 19.566,1083 30.25,1084 14.993,1085 1.622,1086 6.072,1087 26.799,1088 3.268,1089 16.229,1090 21.043,1091 5.769,1092 32.52,1093 16.087,1094 1.618,1095 4.586,1096 28.616,1097 3.007,1098 17.305,1099 22.462,1101 34.772,1102 17.15,1103 7349,1104 11910,1105 19.592,1106 31.006,1107 44.389,1108 44.83,1109 44.778,1110 43.83,1111 43.801,1112 61.91,1113 2.873,1114 126.319,1115 43.449,1116 5.163,1117 5.583,1118 6.067,1119 5.109,1120 5.079,1121 7.371,1122 2.873,1123 16.486,1124 5.037,1125 11.338,1126 1.531,1127 1.546,1128 1.544,1129 1.511,1130 1.51,1131 2.135,1132 0.099,1133 4.356,1134 1.498,1135 4.113,1136 4.134,1137 4.072,1138 4.07,1139 7.475,1140 4.067,1141 3.969,1142 3.993,1143 3.92,1144 3.915,1145 6.351,1146 3.913,1147 3.782,1148 3.808,1149 3.726,1150 3.704,1151 4.963,1152 3.706,1153 3.454,1154 3.484,1155 3.38,1156 3.373,1157 4.819,1158 3.367,1159 3.261,1160 3.292,1161 3.192,1162 3.084,1163 4.624,1164 3.089,1165 3.105,1166 3.148,1167 2.978,1168 2.979,1169 4.262,1170 2.974,1171 3.017,1172 3.066,1173 2.885,1174 2.817,1175 3.879,1176 2.846,1177 2.854,1178 2.925,1179 2.687,1180 2.735,1181 3.835,1182 2.715,1183 0.155,1184 0.124,1185 0.22,1186 0.14,1187 0.106,1188 4.485,1189 0.151,1190 3.583,1191 0.05,1192 6.38,1193 0.342,1194 4.065,1195 0.105,1196 3.079,1197 4.371,1198 1.437,1199 9.904,1200 3.037,1201 2.089,1202 2.071,1203 2.167,1204 2.144,1205 1.3,1206 2.152,1207 1.962,1208 1.939,1209 2.062,1210 2.036,1211 1.172,1212 2.045,1213 1.767,1214 1.743,1215 1.869,1216 1.871,1217 0.963,1218 1.873,1219 1.454,1220 1.422,1221 1.619,1222 1.568,1223 0.694,1224 1.583,1225 1.217,1226 1.165,1227 1.511,1228 1.434,1229 0.584,1230 1.451,1231 1.08,1232 1.041,1233 1.29,1234 1.297,1235 0.365,1236 1.264,1237 0.938,1238 0.917,1239 1.181,1240 1.185,1241 0.218,1242 1.2,1243 0.886,1244 0.821,1245 1.066,1246 1.062,1247 0.168,1248 1.107,1249 4.078,1251 5.407,1253 6.938,1255 8.556,1257 10.219,1259 2.019,1264 9.516,1273 29.665,1274 57.801,1275 123.608,1276 158.959,1277 201.065,1278 210.574,1279 216.574,1280 38.213,1281 7.54,1282 50.19,1283 50.19,1284 24,1285 12.506,1286 4.644,1287 3.755,1288 37.826,1289 89,1290 96,1291 0.206,1292 181.479,1293 310.32,1294 434.568,1295 18571,1297 18.096,1298 0.696,1299 0.55,1300 18.096,1301 14.308,1302 12.597,1303 0.434,1304 0.29,1305 8.372,1306 12.394,1307 8.117,1308 6.768,1309 12.597,1310 8.416,1311 11.629,1312 0.284,1313 0.155,1314 11.629,1315 6.359,1316 9.733,1317 0.18,1318 0.083,1319 9.733,1320 4.465,1321 7.865,1322 0.112,1323 0.043,1324 7.865,1325 3.023,1326 7.057,1327 0.073,1328 0.023,1329 7.057,1330 2.233,1331 0.317,1332 77.147,1333 0.226,1334 24.773,1335 0.588,1336 140,1337 371.53,1338 146.482,1339 373.094,1340 515.9,1341 348,1342 165,1343 383.484,1344 170.654,1345 397.095,1346 578.27,1347 374,1348 4.301}
{0 CHEMBL47626,1 1.582,2 14.316,3 8.596,4 73.896,5 145.134,6 8.737,7 0.585,8 4.234,9 4.315,10 3.926,11 3.855,12 5.434,13 3.833,14 4.731,15 4.849,16 4.32,17 4.225,18 6,19 4.187,20 5.02,21 5.178,22 4.384,23 4.35,24 6.226,25 4.288,26 5.054,27 5.246,28 4.28,29 4.295,30 6.187,31 4.237,32 4.985,33 5.146,34 4.359,35 4.312,36 6.268,37 4.28,38 5.039,39 5.183,40 4.394,41 4.365,42 6.353,43 4.318,44 5.05,45 5.224,46 4.323,47 4.338,48 6.254,49 4.263,50 4.967,51 5.16,52 4.277,53 4.254,54 6.113,55 4.166,56 0.094,57 0.746,58 9.429,59 5.725,60 14.865,61 6.568,62 0.372,63 1.215,64 19.03,65 9.691,66 57.757,67 11.498,68 0.715,69 1.584,70 34.562,71 13.277,72 79.291,73 15.379,74 0.715,75 1.659,76 39.076,77 13.791,78 94.281,79 16.049,80 0.686,81 1.572,82 28.814,83 12.276,84 74.541,85 14.21,86 0.678,87 1.59,88 30.553,89 13.135,90 106.458,91 14.398,92 0.683,93 1.611,94 35.242,95 14.104,96 88.082,97 16.458,98 0.705,99 1.5,100 33.215,101 13.109,102 81.878,103 15.916,105 57,106 57,107 0.25,108 0.552,109 0.677,110 0.756,111 0.766,112 0.766,113 3.668,114 0.929,115 -6.15,116 -5.99,117 -5.57,120 47.6,121 2,122 1,123 1,128 1,140 14,141 3,142 4,144 2,153 2,162 1,164 1,165 15,167 1,168 11,169 1,171 1,176 20,177 1,181 1,182 15,185 1,187 1,190 16,191 1,195 9,200 1,203 17,204 4,206 3,207 10,212 4,215 22,216 2,220 12,225 2,227 24,230 1,231 12,232 1,239 18,244 1,245 5,248 1,253 20,258 7,259 1,266 21,267 1,270 3160,271 25.049,272 25.049,273 25.049,274 25.049,275 25.049,276 21.929,277 15.338,278 14.717,279 25.592,280 20.237,281 20.237,282 20.237,283 20.237,284 20.237,285 15.527,286 13.806,287 7.066,288 21.256,289 4.395,290 2.485,291 1.695,292 1.199,293 1.135,294 1.135,295 4.358,298 2,303 1151,304 4.416,307 561.297,313 2.194,314 47.769,317 0.5,318 0.5,319 0.67,320 0.5,321 0.5,322 0.83,323 1,324 0.64,325 82.167,326 544,327 4.437,328 3.79,329 6.366,330 4.046,331 3.066,332 4.132,333 2.423,334 9.859,335 3.003,336 4.113,337 3.688,338 6.024,339 3.786,340 2.836,341 3.723,342 1.674,343 8.66,344 2.686,345 4.112,346 3.034,347 5.998,348 3.714,349 2.732,350 3.668,351 0.922,352 8.566,353 2.682,354 3.992,355 2.953,356 5.951,357 3.677,358 2.711,359 3.498,361 8.387,362 2.613,363 3.851,364 2.917,365 5.436,366 3.475,367 2.497,368 3.115,370 7.147,371 2.434,372 3.689,373 2.819,374 5.108,375 3.216,376 2.31,377 3.026,379 6.27,380 2.058,381 3.582,382 2.588,383 5.046,384 3.117,385 2.223,386 2.949,388 6.07,389 2.027,390 3.405,391 2.566,392 5.021,393 3.064,394 2.094,395 2.682,397 6.016,398 1.913,399 3.133,400 2.257,401 4.59,402 2.985,403 2.016,404 2.221,406 4.869,407 1.902,408 3.026,409 1.961,410 4.484,411 2.512,412 1.559,413 2.14,415 4.432,416 1.435,417 2.677,418 1.783,419 4.128,420 2.169,421 1.207,422 1.759,424 3.455,425 1.129,426 2.604,427 1.435,428 3.956,429 2.082,430 1.123,431 1.574,433 3.049,434 1.054,435 2.5,436 1.309,437 3.576,438 2,439 1.02,440 1.5,442 2.474,443 1,444 2.5,445 1,446 3.414,447 2,448 1,449 1.5,451 2.275,452 1,453 2.5,454 1,455 3.414,456 2,457 1,458 1.5,460 2.275,461 1,462 18.495,463 0.487,464 1.085,465 0.029,466 51.25,467 1.349,468 28,469 0.737,470 23.25,471 0.612,472 33.895,473 0.892,474 39.705,475 0.63,476 44.558,477 1.173,478 10.021,479 0.264,480 8.152,481 0.215,482 0.185,484 0.351,490 0.71,491 1.065,492 0.578,493 0.896,494 0.68,495 0.843,496 0.644,497 1.145,498 0.638,499 0.959,500 0.457,501 0.922,502 1.031,503 1.084,504 0.986,505 1.015,506 0.82,507 1.012,508 1.221,509 0.903,510 0.885,511 0.842,512 1.109,513 0.844,514 1.022,515 0.906,516 0.608,517 0.801,518 1.093,519 0.819,520 1.271,521 1.035,522 0.803,523 0.971,524 1.665,525 1.011,526 1.079,527 1.024,528 0.87,529 0.97,530 1.105,531 1,532 0.882,533 0.926,534 0.764,535 0.822,536 0.809,537 0.885,538 9.5,539 0.285,540 4.222,541 1.813,542 2.36,543 1.722,544 0.95,545 0.743,546 0.598,547 0.295,548 22885,549 74773,550 2.022,551 39.7,552 7,553 15,556 1,558 2,560 1.789,561 1.869,562 3.773,563 -0.4,569 99.656,570 1.582,571 3.492,572 4.282,573 4.779,574 4.842,575 4.842,576 3.209,577 4.353,578 5.216,579 4.008,580 2817.29,581 9.198,582 48439.1,587 376.569,588 1.49,589 5.165,590 0.232,591 0.007,592 0.074,593 0.031,594 0.043,595 0.028,596 0.016,597 0.014,598 0.012,599 0.006,600 0.464,601 0.17,602 0.75,603 1.226,604 212.896,605 -0.042,606 -0.029,607 0.009,608 0.001,609 -0.092,610 0.02,611 0.146,612 -0.123,613 0.067,614 -0.037,615 0.19,616 -0.017,617 -0.017,618 -0.075,619 -0.083,620 -0.059,621 0.001,622 -0.069,623 -0.163,624 0.115,625 -0.016,626 0.114,627 -0.123,628 0.128,629 0.004,630 0.131,631 0.055,632 0.111,633 0.011,634 0.101,635 -0.157,636 -0.041,637 -0.072,638 -0.041,639 -0.208,640 -0.097,641 -0.068,642 -0.049,643 -0.028,644 -0.005,645 -0.088,646 -0.027,647 0.053,648 0.061,649 0.118,650 0.154,651 0.004,652 0.115,653 2.695,654 6.161,655 0.632,656 50.814,657 1.014,658 1.108,659 4.916,660 24.172,661 0.713,662 3.738,663 4.06,664 4.263,665 4.489,666 4.779,667 4.82,668 4.963,669 5.13,670 5.263,671 5.323,672 8.679,673 0.684,674 550.46,675 3.738,676 5.283,677 6.111,678 6.978,679 7.828,680 8.697,681 9.557,682 10.427,683 11.293,684 12.165,685 1.6,695 1,699 14,700 1,704 9,706 24,712 1,718 1,719 2,720 63,723 26,724 3,725 41,727 66,728 30,729 23,730 6,731 12,732 1,735 4,736 4,737 2,741 2,748 2,749 25,750 5,751 1,754 2,759 2,763 2,768 25,769 6,770 1,771 8,772 2,775 1,780 1,781 5,785 1,789 4,802 1,811 1,813 4,817 2,818 2,821 38,827 1,828 1,830 2,833 2,839 2,840 7.9,842 1,843 2,845 2,847 20.333,848 11.936,849 8.278,850 3.756,851 3.528,852 1.44,853 0.953,854 9.056,855 11.55,856 4.025,857 4.615,858 5.139,859 5.689,860 6.303,861 6.548,862 6.995,863 7.43,864 7.854,865 8.203,866 1,867 58,868 14.071,870 6.025,871 7.94,872 26.18,874 21.139,877 2.44,878 92.722,882 282.506,883 193.512,884 16.786,885 78.297,886 114.973,889 193.512,890 475.777,891 16.786,892 17.65,893 2.535,894 132.667,895 117.86,896 54.558,898 282.506,899 78.297,900 282.506,901 210.297,902 114.973,903 78.297,905 258.964,906 138.515,909 25.698,910 167.813,911 95.083,913 282.506,914 131.759,915 271.809,918 282.506,919 43.194,920 150.318,922 210.056,923 282.506,924 131.759,925 271.809,927 0.585,928 0.321,929 0.163,930 0.102,931 25,932 13,933 0.152,934 10,936 1,937 4.737,938 361.012,940 24,941 167.421,945 27.653,946 12.445,947 7.583,949 131.759,950 23.91,951 4.738,955 4.877,957 42.683,958 686.074,959 55,964 24.651,968 -1.602,969 63.873,970 69.831,971 0.265,972 0.584,973 0.716,974 0.799,975 0.81,976 0.81,977 5.257,978 2.094,979 6.103,980 6.07,981 4.745,982 5.303,983 2.88,984 6.872,985 4.654,986 6.468,987 2.016,988 7.642,989 6.016,990 4.369,991 5.066,992 2.243,993 7.673,994 4.198,995 7.764,996 1.559,997 9.272,998 4.869,999 6.312,1000 7.445,1001 4.128,1002 10.71,1003 6.15,1004 9.088,1005 1.207,1006 10.952,1007 4.432,1008 6.673,1009 7.937,1010 4.238,1011 12.28,1012 6.448,1013 10.437,1014 1.123,1015 12.665,1016 3.455,1017 8.122,1018 9.836,1019 5.613,1020 14.835,1021 7.903,1022 11.804,1023 1.02,1024 14.4,1025 3.049,1026 8.827,1027 10.688,1028 6.111,1029 16.752,1030 8.562,1031 13.185,1032 1,1033 16.151,1034 2.474,1035 10.065,1036 12.359,1037 7.232,1038 19.117,1039 9.797,1040 3.066,1041 1,1042 17.914,1043 2.275,1044 10.948,1045 13.42,1046 7.928,1047 21.203,1048 10.644,1049 2.836,1050 9.859,1051 19.687,1052 2.275,1053 12.091,1054 14.966,1055 8.925,1056 23.493,1057 11.778,1058 2.732,1059 8.66,1060 21.467,1061 4.132,1062 13.068,1063 16.155,1064 9.719,1065 25.663,1066 12.726,1067 2.711,1068 8.566,1069 23.255,1070 3.723,1071 14.17,1072 17.631,1073 10.658,1074 27.926,1075 13.816,1076 2.497,1077 8.387,1078 25.047,1079 3.668,1080 15.198,1081 18.9,1082 11.499,1083 30.139,1084 14.818,1085 2.31,1086 7.147,1087 26.845,1088 3.498,1089 16.285,1090 20.337,1091 12.41,1092 32.395,1093 15.891,1094 2.223,1095 6.27,1096 28.646,1097 3.115,1098 17.341,1099 21.657,1100 13.274,1101 34.632,1102 16.924,1103 22217,1104 40356,1105 26.759,1106 44.892,1107 62.122,1108 63.791,1109 63.032,1110 61.503,1111 61.087,1112 80.767,1113 10.039,1114 172.9,1115 58.09,1116 5.309,1117 5.79,1118 5.78,1119 5.135,1120 5.066,1121 7.132,1122 4.104,1123 16.346,1124 5.003,1125 23.144,1126 1.515,1127 1.556,1128 1.537,1129 1.5,1130 1.49,1131 1.97,1132 0.245,1133 4.217,1134 1.417,1135 4.05,1136 4.07,1137 4.069,1138 3.983,1139 7.474,1140 3.984,1141 3.911,1142 3.928,1143 3.975,1144 3.833,1145 7.433,1146 3.823,1147 3.872,1148 3.893,1149 3.875,1150 3.818,1151 6.351,1152 3.822,1153 3.758,1154 3.799,1155 3.787,1156 3.638,1157 5.009,1158 3.638,1159 3.696,1160 3.72,1161 3.632,1162 3.614,1163 4.928,1164 3.604,1165 3.439,1166 3.461,1167 3.349,1168 3.198,1169 4.878,1170 3.224,1171 3.225,1172 3.209,1173 3.347,1174 2.993,1175 4.762,1176 3.037,1177 3.003,1178 3.022,1179 3.306,1180 2.964,1181 4.453,1182 2.947,1183 0.108,1184 0.092,1185 0.155,1186 0.099,1187 0.075,1188 4.437,1189 0.101,1190 3.79,1191 0.059,1192 6.366,1193 0.24,1194 4.046,1195 0.073,1196 3.066,1197 4.132,1198 2.423,1199 9.859,1200 3.003,1201 1.995,1202 1.975,1203 2.061,1204 2.076,1205 1.296,1206 2.074,1207 1.873,1208 1.856,1209 2.011,1210 1.996,1211 1.175,1212 1.995,1213 1.873,1214 1.853,1215 1.96,1216 1.933,1217 1.069,1218 1.951,1219 1.747,1220 1.698,1221 1.954,1222 1.901,1223 1.039,1224 1.923,1225 1.677,1226 1.655,1227 1.765,1228 1.773,1229 0.857,1230 1.778,1231 1.343,1232 1.314,1233 1.571,1234 1.617,1235 0.753,1236 1.593,1237 1.048,1238 1.056,1239 1.417,1240 1.325,1241 0.469,1242 1.308,1243 0.988,1244 0.968,1245 1.181,1246 1.239,1247 0.269,1248 1.244,1249 4.419,1251 5.74,1253 7.238,1255 8.814,1257 10.432,1259 3.856,1260 12.089,1264 9.407,1265 0.375,1267 11.222,1270 -0.801,1273 43.099,1274 99.656,1275 219.989,1276 269.756,1277 301.059,1278 305.059,1279 305.059,1280 92.208,1281 8.022,1282 85.72,1283 85.72,1284 24,1285 12.708,1286 4.755,1287 3.907,1288 67.561,1289 194,1290 198,1291 0.164,1292 271.425,1293 482.93,1294 654.037,1295 34807,1296 3.2,1297 27.233,1298 0.717,1299 0.585,1300 28.233,1301 22.24,1302 18.173,1303 0.443,1304 0.31,1305 11.878,1306 17.044,1307 11.481,1308 9.551,1309 18.75,1310 12.69,1311 16.996,1312 0.298,1313 0.175,1314 17.813,1315 9.948,1316 13.1,1317 0.187,1318 0.087,1319 13.677,1320 6.119,1321 10.3,1322 0.117,1323 0.045,1324 10.633,1325 3.981,1326 9.132,1327 0.077,1328 0.024,1329 9.56,1330 2.839,1331 0.262,1332 119.161,1333 0.193,1334 34.716,1335 0.437,1336 196,1337 633.144,1338 244.26,1339 667.082,1340 877.73,1341 618,1342 225,1343 590.482,1344 260.69,1345 614.435,1346 895.08,1347 578,1348 5.523}
{0 CHEMBL48334,1 1.452,2 16.441,3 6.879,4 47.318,5 130.71,6 7.541,7 0.5,8 4.227,9 4.315,10 3.912,11 3.823,12 5.306,13 3.766,14 4.768,15 4.906,16 4.197,17 4.179,18 6.023,19 4.102,20 5.054,21 5.244,22 4.275,23 4.297,24 6.2,25 4.195,26 5.089,27 5.287,28 4.143,29 4.241,30 6.242,31 4.147,32 5.022,33 5.232,34 4.107,35 4.199,36 6.139,37 4.113,38 4.984,39 5.187,40 4.076,41 4.179,42 6.184,43 4.074,44 4.922,45 5.138,46 3.987,47 4.122,48 5.95,49 3.991,50 4.85,51 5.048,52 4.029,53 4.007,54 5.97,55 3.904,56 0.085,57 0.812,58 15.82,59 7.177,60 21.77,61 8.196,62 0.341,63 1.313,64 26.191,65 11.579,66 78.707,67 13.821,68 0.579,69 1.69,70 41.314,71 15.43,72 84.22,73 18.324,74 0.616,75 1.683,76 42.746,77 15.021,78 106.982,79 17.726,80 0.539,81 1.578,82 37.487,83 13.618,84 95.794,85 17.098,86 0.79,87 1.525,88 34.826,89 13.326,90 106.583,91 16.925,92 0.379,93 1.474,94 36.146,95 13.47,96 75.992,97 16.448,98 0.538,99 1.333,100 36.009,101 12.079,102 89.54,103 13.81,105 36,106 48,107 0.231,108 0.508,109 0.652,110 0.773,111 0.814,112 0.833,113 3.56,114 1.075,115 -5.71,116 -5.58,117 -5.2,120 42.2,121 1,122 5,126 1,128 1,140 13,141 1,142 4,153 1,162 1,164 1,165 15,167 1,168 6,169 1,171 1,176 14,177 1,181 1,182 16,185 1,187 1,190 10,191 1,195 12,200 1,203 10,204 3,207 5,212 3,215 19,216 3,219 4,220 4,225 3,227 16,228 1,231 6,236 1,239 10,240 1,245 9,246 2,250 1,253 6,257 2,258 6,261 2,266 8,267 2,270 2416,271 22.816,272 22.816,273 22.816,274 22.816,275 22.816,276 20.248,277 18.576,278 13.916,279 23.344,280 17.731,281 17.731,282 17.731,283 17.731,284 17.731,285 13.87,286 19.751,287 6.579,288 18.657,289 4.548,290 2.81,291 1.9,292 1.141,293 0.887,294 0.762,295 4.242,302 1,303 1164,304 4.743,307 416.585,313 2.853,314 48.632,317 0.75,318 0.67,319 0.83,320 0.8,321 0.5,322 0.83,323 0.5,324 0.7,325 74,326 559,327 4.97,328 5.351,329 7.666,330 4.375,331 3.512,332 4.863,333 2.95,334 13.611,335 2.998,336 4.025,337 3.788,338 5.969,339 3.741,340 2.794,341 3.576,342 2.423,343 8.44,344 2.634,345 3.949,346 3.144,347 5.633,348 3.565,349 2.605,350 3.454,351 1.151,352 7.306,353 2.511,354 3.856,355 2.961,356 5.402,357 3.438,358 2.454,359 3.369,360 0.922,361 6.953,362 2.396,363 3.744,364 2.833,365 5.259,366 3.322,367 2.355,368 3.001,370 6.684,371 2.253,372 3.287,373 2.57,374 5.174,375 2.852,376 1.915,377 2.555,379 5.967,380 1.775,381 2.964,382 2.121,383 4.257,384 2.769,385 1.768,386 2.121,388 3.857,389 1.766,390 2.892,391 1.722,392 3.892,393 2.496,394 1.51,395 2.032,397 3.536,398 1.485,399 2.815,400 1.676,401 3.638,402 2.353,403 1.371,404 1.81,406 3.135,407 1.335,408 2.5,409 1.433,410 3.578,411 2.271,412 1.276,413 1.5,415 2.735,416 1.262,417 2.5,418 1.112,419 3.414,420 2,421 1,422 1.5,424 2.275,425 1,426 2.5,427 1.023,428 3.414,429 2,430 1,431 1.5,433 2.275,434 1,435 2.483,436 1,437 3.247,438 2,439 1,440 1.429,442 2.136,443 1,444 1.955,445 1,446 3.182,447 1.824,448 0.854,449 0.912,451 1.667,452 0.817,453 1.86,454 1,455 3.075,456 1.538,457 0.637,458 0.754,460 1.493,461 0.567,462 16.333,463 0.48,464 0.776,465 0.023,466 43.5,467 1.279,468 23.5,469 0.691,470 20,471 0.588,472 29.179,473 0.858,474 37.667,475 0.589,476 35.937,477 1.057,478 8.249,479 0.243,480 8.147,481 0.24,482 0.112,483 0.051,484 0.214,490 0.655,491 1.145,492 0.863,493 1.185,494 0.695,495 1.001,496 0.754,497 1.144,498 0.875,499 1.086,500 0.534,501 1.064,502 0.949,503 1.051,504 1.068,505 1.092,506 0.756,507 0.974,508 1.396,509 0.971,510 1.14,511 0.995,512 1.302,513 0.954,514 1.122,515 0.918,516 0.813,517 0.873,518 1.235,519 0.903,520 0.828,521 0.934,522 0.825,523 0.876,524 0.878,525 0.97,526 0.969,527 1.039,528 1.064,529 1.064,530 0.985,531 1.005,532 1.414,533 0.976,534 1.145,535 1.038,536 1.43,537 0.934,538 7,539 0.215,540 4,541 1.938,542 1.556,543 1.118,544 0.628,545 0.571,546 0.411,547 0.327,548 18466,549 49700,550 2.004,551 46.9,552 11,553 16,556 1,558 2,560 1.755,561 1.88,562 3.944,563 -0.392,569 92.902,570 1.452,571 3.19,572 4.1,573 4.859,574 5.113,575 5.238,576 3.495,577 4.315,578 5.049,579 4.148,580 2326.82,581 8.834,582 38454.6,587 384,588 1.455,589 5.013,590 0.194,591 0.007,592 0.083,593 0.039,594 0.035,595 0.025,596 0.015,597 0.015,598 0.012,599 0.009,600 0.434,601 0.17,602 0.63,603 1.695,604 187.651,605 0.033,606 -0.011,607 0.163,608 -0.007,609 -0.108,610 0.032,611 0.134,612 -0.093,613 0.058,614 -0.048,615 0.213,616 -0.07,617 0.07,618 -0.033,619 0.044,620 -0.019,621 0.096,622 0.021,623 -0.176,624 0.013,625 -0.084,626 0.003,627 -0.095,628 0.007,629 -0.083,630 0.046,631 0.065,632 0.037,633 -0.114,634 0.063,635 0.189,636 0.034,637 0.048,638 0.04,639 0.071,640 -0.002,641 -0.059,642 -0.042,643 -0.001,644 -0.026,645 -0.085,646 -0.003,647 -0.144,648 0.025,649 0.041,650 0.031,651 -0.173,652 0.035,653 4.649,654 5.993,655 0.529,656 52.242,657 1.005,658 1.116,659 4.483,660 20.097,661 0.669,662 3.611,663 3.892,664 4.094,665 4.234,666 4.431,667 4.466,668 4.564,669 4.644,670 4.745,671 4.727,672 9.199,673 0.631,674 482.64,675 3.611,676 5.13,677 5.948,678 6.797,679 7.638,680 8.495,681 9.347,682 10.211,683 11.069,684 11.939,699 13,704 5,706 18,718 2,720 64,723 21,724 3,725 36,727 66,728 27,729 18,730 5,731 13,735 3,736 3,741 1,748 6,749 19,750 8,754 3,757 1,759 3,763 1,768 30,769 6,770 1,771 7,772 1,780 1,781 6,789 3,802 1,811 1,813 3,815 1,817 1,821 34,823 1,827 1,828 6,830 2,833 1,840 9.4,842 1,843 3,845 2,847 18.083,848 11.367,849 7.694,850 4.05,851 3.161,852 1.419,853 0.941,854 9.553,855 10.711,856 3.892,857 4.449,858 4.929,859 5.382,860 5.896,861 6.069,862 6.38,863 6.579,864 6.979,865 7.217,866 1,867 50,868 12.928,870 5.727,871 7.949,872 23.968,874 19.476,877 2.449,878 83.25,882 341.362,883 173.011,886 134.141,888 6.046,889 166.965,890 475.503,892 8.825,893 17.265,894 129.237,895 113.051,896 38.774,898 341.362,900 341.362,901 166.965,902 134.141,903 6.046,905 317.82,906 157.683,909 26.09,910 140.875,911 6.046,913 341.362,914 134.141,915 173.011,917 6.046,918 341.362,919 34.949,920 132.016,922 134.141,923 341.362,924 134.141,925 173.011,927 0.569,928 0.321,929 0.155,930 0.084,931 19,932 9,933 0.197,934 13,936 1,937 4.593,938 288.83,940 18,941 156.219,944 1,945 25.798,946 12.59,947 7.603,949 134.141,950 21.829,955 2.171,957 42.683,958 648.514,959 48,962 -3.732,964 37.489,968 -1.025,969 64.294,970 71.404,971 0.242,972 0.532,973 0.683,974 0.81,975 0.852,976 0.873,977 5.103,978 1.51,979 5.932,980 3.857,981 4.575,982 5.136,983 3.474,984 6.732,985 4.464,986 6.306,987 1.371,988 7.496,989 3.536,990 4.205,991 5.066,992 2.243,993 7.93,994 3.909,995 7.626,996 1.276,997 9.189,998 3.135,999 6.192,1000 7.374,1001 5.305,1002 10.982,1003 5.901,1004 8.996,1005 1,1006 10.969,1007 2.735,1008 6.711,1009 8.203,1010 4.238,1011 13.133,1012 6.165,1013 10.412,1014 1,1015 12.813,1016 2.275,1017 8.186,1018 10.026,1019 7.348,1020 15.837,1021 7.628,1022 11.862,1023 1,1024 14.703,1025 2.275,1026 9.108,1027 11.264,1028 6.111,1029 18.309,1030 8.28,1031 13.341,1032 0.854,1033 16.629,1034 2.136,1035 10.408,1036 12.921,1037 9.452,1038 20.942,1039 9.519,1040 3.512,1041 0.637,1042 18.582,1043 1.667,1044 11.514,1045 14.348,1046 7.928,1047 23.51,1048 10.37,1049 2.794,1050 13.611,1051 20.556,1052 1.493,1053 12.762,1054 15.949,1055 11.581,1056 26.127,1057 11.507,1058 2.605,1059 8.44,1060 22.545,1061 4.863,1062 13.948,1063 17.462,1064 9.719,1065 28.724,1066 12.463,1067 2.454,1068 7.306,1069 24.547,1070 3.576,1071 15.188,1072 19.045,1073 13.722,1074 31.336,1075 13.559,1076 2.355,1077 6.953,1078 26.557,1079 3.454,1080 16.41,1081 20.597,1082 11.499,1083 33.943,1084 14.571,1085 1.915,1086 6.684,1087 28.574,1088 3.369,1089 17.652,1090 22.176,1091 15.87,1092 36.554,1093 15.652,1094 1.768,1095 5.967,1096 30.596,1097 3.001,1098 18.89,1099 23.744,1100 13.274,1101 39.164,1102 16.697,1103 18149,1104 30066,1105 23.633,1106 42.796,1107 52.599,1108 54.558,1109 53.967,1110 52.637,1111 52.489,1112 69.162,1113 14.892,1114 144.865,1115 49.967,1116 5.891,1117 7.351,1118 7.602,1119 5.511,1120 5.512,1121 7.863,1122 5.9,1123 21.572,1124 4.998,1125 17.866,1126 1.461,1127 1.516,1128 1.499,1129 1.462,1130 1.458,1131 1.921,1132 0.414,1133 4.024,1134 1.388,1135 4.133,1136 4.104,1137 4.754,1138 4.153,1139 7.715,1140 4.059,1141 3.911,1142 3.936,1143 3.849,1144 3.848,1145 7.474,1146 3.84,1147 3.845,1148 3.871,1149 3.786,1150 3.757,1151 6.999,1152 3.756,1153 3.766,1154 3.812,1155 3.692,1156 3.653,1157 6.351,1158 3.637,1159 3.605,1160 3.636,1161 3.585,1162 3.466,1163 4.873,1164 3.436,1165 3.489,1166 3.468,1167 3.44,1168 3.375,1169 4.807,1170 3.34,1171 3.292,1172 3.341,1173 3.111,1174 3.065,1175 4.706,1176 3.069,1177 3.18,1178 3.222,1179 3.059,1180 3.013,1181 4.279,1182 3.007,1183 0.138,1184 0.149,1185 0.213,1186 0.122,1187 0.098,1188 4.97,1189 0.135,1190 5.351,1191 0.082,1192 7.666,1193 0.378,1194 4.375,1195 0.083,1196 3.512,1197 4.863,1198 2.95,1199 13.611,1200 2.998,1201 2.023,1202 2.044,1203 2.041,1204 2.07,1205 1.377,1206 2.108,1207 1.905,1208 1.879,1209 2.036,1210 1.996,1211 1.255,1212 2.009,1213 1.822,1214 1.798,1215 1.992,1216 1.954,1217 1.135,1218 1.981,1219 1.772,1220 1.718,1221 1.927,1222 1.894,1223 1.109,1224 1.909,1225 1.562,1226 1.518,1227 1.821,1228 1.763,1229 1.002,1230 1.78,1231 1.35,1232 1.379,1233 1.535,1234 1.533,1235 0.747,1236 1.551,1237 1.237,1238 1.187,1239 1.447,1240 1.48,1241 0.619,1242 1.489,1243 1.144,1244 1.102,1245 1.242,1246 1.336,1247 0.49,1248 1.367,1249 4.29,1251 5.58,1253 7.066,1255 8.639,1257 10.261,1259 2.092,1264 9.418,1265 4.647,1267 11.317,1270 -0.956,1273 40.378,1274 92.902,1275 204.179,1276 262.41,1277 310.98,1278 327.245,1279 335.245,1280 99.603,1281 7.55,1282 89.9,1283 98.28,1284 18,1285 12.486,1286 4.459,1287 3.7,1288 67.799,1289 185,1290 206,1291 0.174,1292 253.418,1293 450.73,1294 610.1,1295 21557,1297 24.391,1298 0.717,1299 0.589,1300 24.641,1301 20.039,1302 16.396,1303 0.455,1304 0.358,1305 11.424,1306 15.099,1307 11.039,1308 9.228,1309 17.185,1310 12.896,1311 14.427,1312 0.301,1313 0.208,1314 15.746,1315 9.964,1316 11.513,1317 0.195,1318 0.122,1319 12.854,1320 7.176,1321 8.603,1322 0.127,1323 0.069,1324 9.68,1325 4.704,1326 6.763,1327 0.081,1328 0.038,1329 7.664,1330 3.19,1331 0.285,1332 110.143,1333 0.206,1334 32.491,1335 0.447,1336 168,1337 537.688,1338 223.819,1339 529.512,1340 702.73,1341 488,1342 191,1343 471.238,1344 252.358,1345 509.461,1346 739.76,1347 478,1348 4.886}
{0 CHEMBL48561,1 1.272,2 10.038,3 2.04,4 4.162,5 105.355,6 5.525,8 4.247,9 4.396,10 3.553,11 3.734,12 5.033,13 3.656,14 4.932,15 5.14,16 4.001,17 4.277,18 5.589,19 4.164,20 5.369,21 5.61,22 4.215,23 4.608,24 6.006,25 4.453,26 5.631,27 5.909,28 4.232,29 4.748,30 6.243,31 4.55,32 5.732,33 6.042,34 4.101,35 4.697,36 6.368,37 4.465,38 5.599,39 5.927,40 3.858,41 4.501,42 6.2,43 4.256,44 5.352,45 5.68,46 3.6,47 4.268,48 5.973,49 4.01,50 5.172,51 5.527,52 3.337,53 3.983,54 5.765,55 3.716,56 0.104,57 0.922,58 17.696,59 7.131,60 9.346,61 10.264,62 0.237,63 1.63,64 33.186,65 13.072,66 14.739,67 18.937,68 0.381,69 2.335,70 49.415,71 19.255,72 27.413,73 28.069,74 0.444,75 2.755,76 61.496,77 23.328,78 35.701,79 34.478,80 0.647,81 2.683,82 65.528,83 23.44,84 58.946,85 34.946,86 0.579,87 2.258,88 56.186,89 19.197,90 51.084,91 29.214,92 0.5,93 1.813,94 44.055,95 15.045,96 45.153,97 23.186,98 0.417,99 1.391,100 35.699,101 11.529,102 42.198,103 18.051,105 32,106 45,107 0.208,108 0.417,109 0.709,110 0.851,111 0.89,112 0.9,113 3.306,114 1.146,115 -4.2,116 -4.15,117 -3.92,120 33.3,121 2,122 8,123 4,124 2,125 1,126 2,128 3,158 1,159 1,160 1,165 16,168 2,173 4,176 26,182 2,186 1,187 7,189 1,190 28,195 2,200 7,203 20,207 3,211 1,212 9,215 16,217 2,220 1,225 6,227 10,229 4,231 2,234 1,236 4,239 4,242 1,245 2,249 1,250 4,252 1,256 2,258 2,263 2,268 2,270 846,271 17.46,272 17.46,273 17.46,274 17.46,275 17.46,276 17.46,277 13.913,278 9.873,279 17.753,280 14.159,281 14.159,282 14.159,283 14.159,284 14.159,285 14.159,286 17.582,287 4.458,288 14.547,289 4.772,290 3.498,291 1.712,292 0.845,293 0.61,294 0.549,295 3.997,301 1,302 1,303 564,304 3.674,306 39.011,307 127.627,310 64.558,311 141.264,313 1.589,314 23.043,317 1,318 1,319 1,320 0.8,321 1,322 1,323 1,324 0.97,325 55,326 261,327 4.742,328 3.764,329 7.989,330 4.738,331 3.742,332 3.742,333 0.86,334 15.22,335 3.728,336 4.513,337 3.531,338 7.82,339 4.51,340 3.513,341 3.513,342 0.4,343 14.416,344 3.502,345 3.597,346 2.818,347 6.364,348 3.573,349 2.597,350 2.597,352 9.228,353 2.538,354 3.326,355 2.552,356 5.758,357 3.289,358 2.326,359 2.326,361 7.273,362 2.239,363 3.178,364 2.35,365 5.307,366 3.136,367 2.178,368 2.178,370 6.588,371 2.071,372 2.855,373 2.037,374 5.125,375 2.815,376 1.855,377 1.855,379 5.47,380 1.78,381 2.745,382 1.794,383 4.919,384 2.733,385 1.745,386 1.745,388 5.032,389 1.718,390 2.357,391 1.481,392 4.199,393 2.33,394 1.357,395 1.357,397 3.283,398 1.317,399 2.172,400 1.268,401 3.921,402 2.153,403 1.172,404 1.172,406 2.528,407 1.147,408 1.823,409 1.134,410 3.481,411 1.796,412 0.823,413 0.823,415 2.005,416 0.796,417 1.54,418 0.776,419 3.285,420 1.444,421 0.54,422 0.54,424 0.961,425 0.482,426 1.312,427 0.589,428 3.172,429 1.242,430 0.312,431 0.312,433 0.566,434 0.289,435 0.893,436 0.077,437 2.983,438 0.865,439 -0.107,440 -0.107,442 -0.225,443 -0.103,444 0.824,445 0.019,446 2.771,447 0.786,448 -0.176,449 -0.176,451 -0.433,452 -0.169,453 0.655,454 -0.215,455 2.607,456 0.61,457 -0.345,458 -0.345,460 -0.887,461 -0.327,462 12.467,463 0.479,464 0.822,465 0.032,466 16,467 0.615,470 16,471 0.615,472 42.997,473 1.654,474 32.533,475 0.493,476 6.371,477 0.245,478 1.518,479 0.058,480 10.918,481 0.42,482 0.179,483 0.08,484 0.281,490 1.024,491 1.378,492 1.152,493 1.314,494 1.136,495 1.25,496 1.078,497 1.162,498 1.094,499 1.143,500 0.84,501 1.123,502 0.926,503 1.189,504 1.131,505 1.212,506 0.853,507 1.197,508 0.797,509 1.175,510 1.096,511 1.221,512 0.757,513 1.191,514 1.036,515 1.012,516 1,517 1.04,518 1.312,519 1.027,520 1.156,521 0.889,522 0.952,523 0.882,524 1.252,525 0.9,526 0.782,527 1.018,528 0.988,529 1.016,530 0.908,531 1.018,532 0.903,533 0.785,534 0.807,535 0.764,536 0.723,537 0.772,538 7,539 0.069,540 5.111,541 3.479,542 2.872,543 1.375,544 0.838,545 0.411,546 0.227,547 0.152,548 6774,549 10898,550 2.059,551 60.6,552 17,553 10,556 4,558 9,560 1.696,561 1.88,562 3.199,563 1.621,565 1,569 83.945,570 1.272,571 2.546,572 4.332,573 5.199,574 5.434,575 5.495,576 2.859,577 4.316,578 4.66,579 3.322,580 1079.66,581 8.11,582 12392.1,587 398.93,588 1.767,589 4.594,590 0.241,591 0.007,592 0.114,593 0.066,594 0.057,595 0.034,596 0.026,597 0.018,598 0.013,599 0.012,600 0.587,601 0.17,602 1,603 1.284,604 123.248,605 -0.049,606 0.087,607 0.055,608 0.083,609 -0.119,610 0.082,611 -0.079,612 0.115,613 0.028,614 0.105,615 -0.046,616 0.082,617 -0.045,618 -0.007,619 -0.07,620 -0.04,621 -0.036,622 -0.057,623 -0.022,624 -0.098,625 -0.097,626 -0.136,627 0.009,628 -0.123,629 -0.001,630 -0.077,631 -0.033,632 -0.065,633 -0.023,634 -0.055,635 -0.067,636 -0.003,637 0.001,638 0.031,639 -0.061,640 0.021,641 0.071,642 -0.091,643 -0.047,644 -0.089,645 0.011,646 -0.079,647 0.06,648 0.05,649 0.107,650 0.075,651 0.127,652 0.093,653 1.478,654 5.403,655 0.654,656 21.97,657 0.979,658 1.141,659 2.974,660 8.844,661 0.597,662 3.401,663 3.829,664 4.22,665 4.575,666 4.868,667 5.088,668 5.283,669 5.472,670 5.598,671 5.652,672 5.425,673 0.538,674 364.64,675 3.401,676 5.004,677 5.922,678 6.876,679 7.82,680 8.786,681 9.739,682 10.709,683 11.667,684 12.639,685 3,686 1,687 1,720 66,725 29,727 69,728 22,735 4,736 10,741 3,742 2,744 2,745 11,746 4,748 11,750 22,751 4,768 40,769 4,770 4,771 4,775 2,780 0.25,781 2,783 1,788 1,789 3,792 1,793 2,807 1,808 1,811 1,812 1,813 1,817 3,821 26,822 1,827 1,828 10,829 1,830 1,833 7,835 2,840 3,841 1,844 1,847 13.833,848 11.783,849 5.667,850 4.414,852 1,853 0.883,854 5.18,855 7.968,856 3.401,857 3.829,858 4.22,859 4.575,860 4.868,861 5.088,862 5.283,863 5.472,864 5.598,865 5.652,866 1,867 53,868 9.821,870 4.375,871 7.378,872 20.213,874 19.064,877 1.878,878 48.833,879 0.001,882 423.76,883 53.021,884 50.908,886 53.683,889 53.021,890 477.443,891 50.908,892 28.533,893 57.385,894 60.694,895 11,898 423.76,900 423.76,901 103.929,902 53.683,905 317.82,906 105.94,907 53.683,909 93.046,910 10.883,913 423.76,914 104.591,915 53.021,918 423.76,919 24.488,920 28.533,921 18.011,922 86.58,923 423.76,924 104.591,925 53.021,927 0.596,928 0.376,929 0.211,930 0.12,931 25,932 11,933 0.058,934 4,935 3,936 1.353,937 3.521,938 245.01,939 0.353,940 17,941 122.211,945 19.173,946 7.024,947 2.907,949 104.591,957 93.591,958 581.372,959 29,969 64.647,970 75.304,971 0.21,972 0.421,973 0.717,974 0.86,975 0.899,976 0.909,977 4.787,978 1.357,979 6.004,980 5.032,981 4.511,982 4.511,983 1.029,984 7.026,985 4.472,986 5.966,987 1.172,988 7.708,989 3.283,990 4.511,991 4.511,993 8.615,994 4.477,995 7.324,996 0.823,997 9.539,998 2.528,999 6.375,1000 6.375,1001 0.763,1002 11.779,1003 6.327,1004 8.716,1005 0.54,1006 11.446,1007 2.005,1008 7.201,1009 7.201,1011 14.151,1012 7.163,1013 10.153,1014 0.312,1015 13.402,1016 0.961,1017 8.643,1018 8.643,1019 0.597,1020 16.97,1021 8.6,1022 11.618,1023 -0.107,1024 15.392,1025 0.566,1026 9.78,1027 9.78,1029 19.575,1030 9.741,1031 13.103,1032 -0.176,1033 17.403,1034 -0.225,1035 11.109,1036 11.109,1037 0.47,1038 22.309,1039 11.068,1040 3.742,1041 -0.345,1042 19.43,1043 -0.433,1044 12.353,1045 12.353,1047 24.982,1048 12.312,1049 3.513,1050 15.22,1051 21.467,1052 -0.887,1053 13.655,1054 13.655,1055 0.367,1056 27.693,1057 13.613,1058 2.597,1059 14.416,1060 23.513,1061 3.742,1062 14.935,1063 14.935,1065 30.387,1066 14.891,1067 2.326,1068 9.228,1069 25.565,1070 3.513,1071 16.234,1072 16.234,1073 0.283,1074 33.094,1075 16.187,1076 2.178,1077 7.273,1078 27.621,1079 2.597,1080 17.527,1081 17.527,1083 35.795,1084 17.477,1085 1.855,1086 6.588,1087 29.68,1088 2.326,1089 18.827,1090 18.827,1091 0.217,1092 38.501,1093 18.774,1094 1.745,1095 5.47,1096 31.742,1097 2.178,1098 20.126,1099 20.126,1101 41.206,1102 20.07,1103 6643,1104 8401,1105 18.781,1106 39.387,1107 44.32,1108 45.06,1109 48.198,1110 44.26,1111 44.32,1112 44.32,1113 2.52,1114 145.144,1115 43.213,1116 5.742,1117 5.764,1118 7.85,1119 5.738,1120 5.742,1121 5.742,1122 1.72,1123 23.917,1124 5.728,1125 14.126,1126 1.528,1127 1.554,1128 1.662,1129 1.526,1130 1.528,1131 1.528,1132 0.087,1133 5.005,1134 1.49,1135 4.116,1136 4.155,1137 4.021,1138 4.036,1139 6.449,1140 4.027,1141 3.886,1142 3.934,1143 3.776,1144 3.787,1145 5.011,1146 3.777,1147 3.615,1148 3.69,1149 3.471,1150 3.433,1151 4.652,1152 3.431,1153 3.501,1154 3.571,1155 3.333,1156 3.31,1157 4.451,1158 3.302,1159 3.434,1160 3.496,1161 3.267,1162 3.281,1163 4.257,1164 3.268,1165 3.305,1166 3.379,1167 3.11,1168 3.117,1169 3.965,1170 3.101,1171 3.178,1172 3.264,1173 2.969,1174 2.993,1175 3.817,1176 2.977,1177 3.082,1178 3.185,1179 2.843,1180 2.872,1181 3.693,1182 2.85,1183 0.164,1184 0.13,1185 0.275,1186 0.163,1187 0.129,1188 4.742,1189 0.129,1190 3.764,1191 0.03,1192 7.989,1193 0.525,1194 4.738,1195 0.129,1196 3.742,1197 3.742,1198 0.86,1199 15.22,1200 3.728,1201 2.051,1202 2.016,1203 2.208,1204 2.156,1205 1.693,1206 2.175,1207 1.805,1208 1.761,1209 1.995,1210 1.955,1211 1.422,1212 1.97,1213 1.665,1214 1.6,1215 1.903,1216 1.866,1217 1.262,1218 1.883,1219 1.488,1220 1.411,1221 1.772,1222 1.712,1223 1.087,1224 1.738,1225 1.446,1226 1.38,1227 1.732,1228 1.654,1229 1.015,1230 1.681,1231 1.383,1232 1.317,1233 1.676,1234 1.592,1235 0.964,1236 1.625,1237 1.195,1238 1.123,1239 1.549,1240 1.471,1241 0.774,1242 1.497,1243 1.106,1244 1.022,1245 1.507,1246 1.385,1247 0.718,1248 1.431,1249 4.078,1251 5.476,1252 2.398,1253 7.104,1254 4.844,1255 8.848,1256 7.05,1257 10.655,1259 6.826,1263 5.742,1264 11.403,1265 11.385,1266 3.714,1267 5.704,1270 3.513,1272 0.546,1273 35.482,1274 83.945,1275 168.058,1276 285.91,1277 343.156,1278 358.665,1279 362.665,1280 56.613,1281 7.968,1282 67.51,1283 67.51,1284 23,1285 13.117,1288 37.893,1289 85,1290 106,1291 0.236,1292 213.809,1293 379.3,1294 513.455,1295 28874,1297 18.527,1298 0.713,1299 0.656,1300 18.527,1301 17.045,1302 12.436,1303 0.429,1304 0.382,1305 10.984,1306 12.096,1307 10.631,1308 8.725,1309 12.436,1310 11.08,1311 11.729,1312 0.261,1313 0.23,1314 11.729,1315 10.358,1316 10.694,1317 0.16,1318 0.141,1319 10.694,1320 9.414,1321 9.461,1322 0.099,1323 0.085,1324 9.461,1325 8.151,1326 7.74,1327 0.06,1328 0.051,1329 7.74,1330 6.557,1331 0.355,1332 77.116,1333 0.231,1334 24.29,1335 0.701,1336 148,1337 247.53,1338 155.397,1339 236.745,1340 327.2,1341 224,1342 186,1343 235.74,1344 193.177,1345 242.482,1346 362.71,1347 228,1348 4.398}
{0 CHEMBL48760,1 1.303,2 8.65,3 3.925,4 15.408,5 82.141,6 7.118,7 0.545,8 3.684,9 3.799,10 3.223,11 3.333,12 4.766,13 3.283,14 4.189,15 4.349,16 3.58,17 3.726,18 5.234,19 3.653,20 4.432,21 4.628,22 3.592,23 3.834,24 5.455,25 3.729,26 4.48,27 4.716,28 3.42,29 3.758,30 5.445,31 3.619,32 4.378,33 4.63,34 3.296,35 3.582,36 5.398,37 3.45,38 4.144,39 4.38,40 3.125,41 3.389,42 5.19,43 3.276,44 3.912,45 4.122,46 2.899,47 3.245,48 4.896,49 3.114,50 3.842,51 4.102,52 2.737,53 3.113,54 4.617,55 2.957,56 0.03,57 0.466,58 7.528,59 3.487,60 5.742,61 4.674,62 0.105,63 0.767,64 13.3,65 5.995,66 13.453,67 8.193,68 0.096,69 0.963,70 17.801,71 7.755,72 19.42,73 10.55,74 0.123,75 1.01,76 19.546,77 8.16,78 26.11,79 11.277,80 0.131,81 0.889,82 18.197,83 7.404,84 30.968,85 10.127,86 0.137,87 0.707,88 14.332,89 5.602,90 28.867,91 7.516,92 0.083,93 0.567,94 10.8,95 4.498,96 16.617,97 6.097,98 0.05,99 0.522,100 10.373,101 4.505,102 10.781,103 6.349,105 11,106 31,107 0.235,108 0.567,109 0.693,110 0.791,111 0.814,112 0.814,113 3.058,114 0.937,115 -5.25,116 -5.14,117 -4.8,120 48.6,121 2,123 1,135 1,136 1,140 8,141 3,142 1,153 1,165 16,168 1,171 1,173 3,176 20,182 2,187 3,190 19,195 3,200 2,203 14,207 4,212 2,215 11,220 2,225 2,227 11,231 1,236 1,239 10,245 1,250 1,253 7,258 2,263 2,266 5,270 456,271 13.43,272 13.43,273 13.43,274 13.43,275 13.43,276 11.744,277 12.37,278 7.863,279 13.459,280 10.85,281 10.85,282 10.85,283 10.85,284 10.85,285 8.226,286 13.633,287 3.72,288 10.886,289 3.907,290 2.059,291 1.359,292 0.818,293 0.689,294 0.689,295 3.736,300 1,301 1,302 1,303 372,304 2.646,306 41.032,307 110.485,310 77.821,313 1.285,314 12.289,315 1,316 1,317 1,318 1,319 1,320 0.6,321 0.5,322 1,323 1,324 0.87,325 41.5,326 173,327 4.526,328 3.654,329 6.726,330 4.178,331 3.184,332 4.118,333 1.058,334 10.951,335 3.161,336 4.105,337 2.991,338 5.93,339 3.777,340 2.777,341 3.687,343 8.233,344 2.776,345 3.733,346 2.757,347 5.539,348 3.376,349 2.379,350 3.115,352 7.19,353 2.372,354 3.493,355 2.432,356 5.208,357 3.104,358 2.088,359 2.765,361 6.206,362 2.114,363 3.049,364 1.871,365 4.746,366 2.666,367 1.686,368 2.176,370 4.925,371 1.647,372 2.839,373 1.505,374 3.809,375 2.359,376 1.354,377 1.97,379 2.99,380 1.358,381 2.546,382 1.278,383 3.614,384 2.264,385 1.264,386 1.517,388 2.932,389 1.264,390 2.5,391 1,392 3.517,393 2,394 1,395 1.5,397 2.275,398 1,399 2.335,400 0.936,401 3.414,402 1.803,403 0.802,404 1.177,406 2.06,407 0.801,408 1.357,409 0.527,410 2.834,411 1.013,412 0.02,413 0.026,415 0.052,416 0.02,417 1.019,418 -0.041,419 2.341,420 0.616,421 -0.416,422 -0.576,424 -0.981,425 -0.425,426 0.694,427 -0.577,428 2,429 0.222,430 -0.781,431 -1,433 -1.94,434 -0.782,435 0.5,436 -0.835,437 2,438 0.019,439 -1,440 -1.069,442 -2,443 -1,444 0.499,445 -0.998,446 2,448 -1,449 -1.325,451 -2.431,452 -1,453 0.231,454 -1,455 1.803,457 -1,458 -1.5,460 -3,461 -1.006,462 9.733,463 0.487,464 0.524,465 0.026,466 27.25,467 1.363,468 15.5,469 0.775,470 11.75,471 0.588,472 13.717,473 0.686,474 20.267,475 0.548,476 17.521,477 0.876,478 5.245,479 0.262,480 4.403,481 0.22,482 0.137,484 0.36,490 0.654,491 0.994,492 0.825,493 0.915,494 0.597,495 0.884,496 0.461,497 1.004,498 0.811,499 0.948,500 0.505,501 0.916,502 0.85,503 1.104,504 0.984,505 1.084,506 0.851,507 1.052,508 0.886,509 1.05,510 1.026,511 1.068,512 0.847,513 1.057,514 1.138,515 0.956,516 0.896,517 0.949,518 1.19,519 0.912,520 1.614,521 0.883,522 1.003,523 0.855,524 1.618,525 0.876,526 1.203,527 1.077,528 1.195,529 1.111,530 1.233,531 1.145,532 0.424,533 0.956,534 0.844,535 0.974,536 0.506,537 0.951,538 4,539 0.037,540 2.444,541 1.639,542 0.959,543 0.684,544 0.192,545 0.188,546 0.205,547 0.119,548 3797,549 8401,550 2.077,551 45.9,552 7,553 9,556 1,560 1.615,561 1.935,562 3.088,563 -0.419,565 1,569 48.204,570 1.303,571 3.151,572 3.851,573 4.391,574 4.52,575 4.52,576 2.528,577 3.922,578 4.294,579 3.232,580 614.056,581 7.324,582 6210.5,584 1,585 1,586 1,587 192.75,588 1.441,589 4.248,590 0.182,591 0.007,592 0.079,593 0.055,594 0.04,595 0.033,596 0.011,597 0.013,598 0.017,599 0.011,600 0.447,601 0.83,602 1,603 0.843,604 88.418,605 -0.024,606 0.047,607 0.036,608 0.053,609 -0.072,610 0.051,611 0.214,612 0.004,613 0.087,614 0.027,615 0.099,616 0.04,617 -0.003,618 -0.128,619 -0.049,620 -0.11,621 0.002,622 -0.088,623 -0.016,624 -0.079,625 -0.059,626 -0.096,628 -0.082,629 0.032,630 -0.01,631 0.112,632 0.029,633 0.068,634 0.07,635 -0.142,636 0.095,637 0.015,638 0.108,639 -0.078,640 0.079,641 -0.163,642 -0.094,643 -0.237,644 -0.146,645 -0.186,646 -0.189,647 0.098,648 -0.022,649 0.117,650 0.022,651 0.014,652 0.063,653 1.695,654 5.031,655 0.75,656 13.96,657 0.986,658 1.109,659 4.017,660 16.133,661 0.691,662 3.135,663 3.466,664 3.738,665 3.989,666 4.19,667 4.19,668 4.263,669 4.369,670 4.344,671 4.29,672 5.161,673 0.647,674 263.36,675 3.135,676 4.673,677 5.525,678 6.405,679 7.279,680 8.163,681 9.044,682 9.931,683 10.815,684 11.704,685 2.7,692 1,699 8,704 4,706 12,720 37,723 14,724 2,725 22,727 39,728 18,729 12,730 4,731 8,732 3,735 3,736 4,741 2,749 15,750 3,751 1,754 2,759 1,761 1,763 2,765 1,768 17,769 2,770 1,771 2,775 1,780 0.667,781 1,788 1,789 2,792 1,800 1,805 1,806 1,813 2,817 2,821 20,829 1,833 1,840 2.7,843 1,847 10.333,848 7.25,849 4.361,850 2.326,851 2.967,852 1.442,853 0.999,854 3.251,855 9.688,856 3.434,857 4.025,858 4.615,859 5.169,860 5.725,861 5.934,862 6.326,863 6.722,864 7.034,865 7.244,866 0.833,867 30,868 7.388,870 3.128,871 7.642,872 14.302,874 11.85,877 2.142,878 42.833,879 0.001,882 188.338,883 123.14,884 18.011,886 25.145,889 123.14,890 213.483,891 18.011,892 17.65,893 18.011,894 85.286,895 29.85,896 15.499,898 188.338,900 188.338,901 141.151,902 25.145,905 188.338,906 25.145,909 35.661,910 96.014,911 9.476,913 188.338,914 43.156,915 123.14,918 188.338,919 20.204,920 102.937,921 18.011,922 25.145,923 188.338,924 43.156,925 123.14,927 0.586,928 0.343,929 0.181,930 0.099,931 16,932 7,933 0.051,934 2,935 1,936 1.133,937 3.253,938 150.609,939 0.133,940 15,941 80.439,945 12.832,946 5.067,947 2.461,949 43.156,950 16.157,955 4.229,957 18.011,958 354.634,959 30,964 12.031,966 1.95,968 0.706,969 36.498,970 41.029,971 0.25,972 0.605,973 0.739,974 0.843,975 0.868,976 0.868,977 4.663,978 1,979 5.517,980 2.932,981 4.143,982 4.71,983 1.176,984 6.333,985 4.136,986 5.876,987 0.802,988 7.083,989 2.275,990 3.761,991 4.443,993 7.252,994 3.758,995 7.182,996 0.02,997 8.748,998 2.06,999 5.74,1000 6.874,1001 1.255,1002 10.348,1003 5.724,1004 8.525,1005 -0.416,1006 10.473,1007 0.052,1008 6.176,1009 7.403,1011 12.122,1012 6.16,1013 9.9,1014 -0.781,1015 12.236,1016 -0.981,1017 7.643,1018 9.312,1019 1.338,1020 14.737,1021 7.616,1022 11.298,1023 -1,1024 14.025,1025 -1.94,1026 8.456,1027 10.233,1029 16.871,1030 8.425,1031 12.715,1032 -1,1033 15.834,1034 -2,1035 9.718,1036 11.898,1037 1.422,1038 19.329,1039 9.678,1040 3.184,1041 -1,1042 17.658,1043 -2.431,1044 10.709,1045 13.03,1047 21.615,1048 10.662,1049 2.777,1050 10.951,1051 19.494,1052 -3,1053 11.89,1054 14.569,1055 1.51,1056 24.024,1057 11.836,1058 2.379,1059 8.233,1060 21.34,1061 4.118,1062 12.963,1063 15.819,1065 26.372,1066 12.901,1067 2.088,1068 7.19,1069 23.195,1070 3.687,1071 14.116,1072 17.292,1073 1.599,1074 28.766,1075 14.046,1076 1.686,1077 6.206,1078 25.058,1079 3.115,1080 15.227,1081 18.609,1083 31.14,1084 15.149,1085 1.354,1086 4.925,1087 26.926,1088 2.765,1089 16.373,1090 20.049,1091 1.69,1092 33.532,1093 16.286,1094 1.264,1095 2.99,1096 28.799,1097 2.176,1098 17.503,1099 21.404,1101 35.916,1102 17.408,1103 3723,1104 5661,1105 14.622,1106 25.551,1107 33.709,1108 34.375,1109 34.311,1110 33.08,1111 33.109,1112 44.101,1113 2.117,1114 95.631,1115 33.024,1116 5.335,1117 5.654,1118 6.407,1119 5.178,1120 5.184,1121 7.118,1122 2.117,1123 17.863,1124 5.161,1125 9.518,1126 1.532,1127 1.562,1128 1.56,1129 1.504,1130 1.505,1131 2.005,1132 0.096,1133 4.347,1134 1.501,1135 4.046,1136 4.07,1137 4.003,1138 3.985,1139 7.429,1140 3.985,1141 3.9,1142 3.931,1143 3.835,1144 3.84,1145 4.817,1146 3.836,1147 3.548,1148 3.604,1149 3.433,1150 3.447,1151 4.703,1152 3.435,1153 3.395,1154 3.436,1155 3.279,1156 3.247,1157 4.195,1158 3.247,1159 3,1160 3.064,1161 2.882,1162 2.831,1163 4.019,1164 2.836,1165 2.874,1166 3.009,1167 2.687,1168 2.735,1169 3.812,1170 2.715,1171 2.854,1172 2.925,1173 2.634,1174 2.66,1175 3.674,1176 2.645,1177 2.777,1178 2.838,1179 2.532,1180 2.618,1181 3.523,1182 2.57,1183 0.206,1184 0.166,1185 0.306,1186 0.19,1187 0.145,1188 4.526,1189 0.187,1190 3.654,1191 0.048,1192 6.726,1193 0.498,1194 4.178,1195 0.144,1196 3.184,1197 4.118,1198 1.058,1199 10.951,1200 3.161,1201 1.972,1202 1.949,1203 2.087,1204 2.039,1205 1.264,1206 2.056,1207 1.869,1208 1.843,1209 1.984,1210 1.948,1211 1.11,1212 1.962,1213 1.59,1214 1.544,1215 1.818,1216 1.748,1217 0.942,1218 1.77,1219 1.383,1220 1.342,1221 1.523,1222 1.589,1223 0.595,1224 1.568,1225 1.005,1226 0.947,1227 1.417,1228 1.239,1229 0.469,1230 1.308,1231 0.934,1232 0.821,1233 1.208,1234 1.218,1235 0.247,1236 1.226,1237 0.886,1238 0.804,1239 1.181,1240 1.062,1241 0.218,1242 1.107,1243 0.789,1244 0.73,1245 1.066,1246 0.979,1247 0.131,1248 1.015,1249 3.807,1251 5.13,1252 2.398,1253 6.648,1254 4.844,1255 8.249,1256 7.018,1257 9.894,1259 4.349,1266 2.89,1270 0.521,1273 23.951,1274 48.204,1275 116.569,1276 142.485,1277 162.485,1278 167.24,1279 167.24,1280 27.265,1281 6.72,1282 32.86,1283 32.86,1284 17,1285 12.235,1286 3.907,1287 3.17,1288 30.058,1289 62,1290 58,1291 0.245,1292 148.624,1293 259.75,1294 354.402,1295 6599,1297 14.113,1298 0.706,1299 0.584,1300 14.113,1301 11.682,1302 9.648,1303 0.439,1304 0.312,1305 6.843,1306 9.52,1307 6.58,1308 5.539,1309 9.648,1310 6.874,1311 8.846,1312 0.285,1313 0.174,1314 8.846,1315 5.379,1316 7.363,1317 0.18,1318 0.088,1319 7.363,1320 3.624,1321 6.05,1322 0.114,1323 0.046,1324 6.05,1325 2.426,1326 4.889,1327 0.075,1328 0.024,1329 4.889,1330 1.588,1331 0.379,1332 58.873,1333 0.262,1334 19.85,1335 0.685,1336 106,1337 254.068,1338 110.268,1339 256.527,1340 358.05,1341 240,1342 125,1343 268.89,1344 129.158,1345 278.686,1346 406.76,1347 263,1348 4.523}
{0 CHEMBL49498,1 2.085,2 10.958,3 4.992,4 24.92,5 104.533,6 13.257,7 0.741,8 3.618,9 3.662,10 3.82,11 3.482,12 4.872,13 3.374,14 4.043,15 4.085,16 4.377,17 3.874,18 5.341,19 3.73,20 4.095,21 4.189,22 4.11,23 3.744,24 5.357,25 3.595,26 3.988,27 4.074,28 4.134,29 3.613,30 5.399,31 3.479,32 3.814,33 3.886,34 4.122,35 3.562,36 5.177,37 3.381,38 3.633,39 3.701,40 3.936,41 3.407,42 4.902,43 3.267,44 3.638,45 3.734,46 3.701,47 3.33,48 4.877,49 3.181,50 3.557,51 3.654,52 3.699,53 3.19,54 4.926,55 3.057,56 0.119,57 0.438,58 2.367,59 1.645,60 6.325,61 1.624,62 0.21,63 0.773,64 9.904,65 4.583,66 10.395,67 2.908,68 0.306,69 0.79,70 17.332,71 5.819,72 24.106,73 4.465,74 0.325,75 0.768,76 14.541,77 5.598,78 26.292,79 3.426,80 0.268,81 0.669,82 14.963,83 5.097,84 26.41,85 2.903,86 0.149,87 0.541,88 10.407,89 3.574,90 8.434,91 2.419,92 0.17,93 0.567,94 12.015,95 4.182,96 11.347,97 2.158,98 0.207,99 0.48,100 8.269,101 3.14,102 16.879,103 1.825,105 5,106 38,107 0.38,108 0.691,109 0.834,110 0.902,111 0.902,112 0.902,113 3.228,114 1.145,115 -4.05,116 -3.99,117 -3.78,120 45.2,140 5,142 1,144 1,146 1,147 2,153 1,157 3,161 1,165 2,168 6,171 2,173 1,176 8,182 4,185 1,187 2,190 4,194 2,195 6,200 2,203 3,206 2,207 3,215 4,220 6,223 1,225 1,227 4,231 4,239 3,244 1,245 3,250 2,253 2,258 3,263 1,266 2,270 800,271 16.342,272 16.342,273 16.342,274 16.342,275 16.342,276 13.873,277 12.614,278 9.641,279 17.461,280 13.382,281 13.382,282 13.382,283 13.382,284 13.382,285 9.636,286 14.626,287 4.668,288 15.387,289 2.869,290 1.157,291 0.375,295 3.924,298 1,301 1,302 1,303 583,304 2.915,306 190.315,307 69.325,310 101.882,313 1.799,314 21.507,317 1,318 1,319 1,320 0.4,322 0.83,323 1,324 0.75,325 51.333,326 263,327 4.489,328 4.558,329 6.272,330 3.921,331 3.024,332 4.434,333 2.95,334 9.59,335 2.729,336 4.217,337 3.573,338 6.059,339 3.792,340 2.865,341 3.79,342 1.058,343 8.744,344 2.67,345 4.058,346 3.222,347 5.668,348 3.505,349 2.662,350 3.646,352 7.897,353 2.202,354 3.681,355 2.965,356 5.226,357 3.142,358 2.306,359 3.12,361 6.616,362 1.867,363 3.372,364 2.535,365 4.948,366 2.88,367 2.032,368 2.635,370 5.789,371 1.698,372 3.198,373 2.37,374 4.71,375 2.657,376 1.759,377 2.44,379 5.04,380 1.534,381 3.025,382 2.179,383 4.396,384 2.474,385 1.541,386 2.269,388 4.264,389 1.421,390 2.932,391 1.527,392 4.161,393 2.377,394 1.49,395 2.081,397 3.784,398 1.281,399 2.286,400 1.048,401 3.298,402 1.739,403 0.807,404 1.152,406 1.916,407 0.734,408 2.197,409 0.983,410 3.197,411 1.593,412 0.684,413 1.02,415 1.648,416 0.603,417 2.118,418 0.718,419 3.159,420 1.461,421 0.618,422 0.927,424 1.372,425 0.506,426 1.947,427 0.618,428 3,429 1.336,430 0.473,431 0.689,433 1.186,434 0.388,435 1.172,436 0.502,437 2.853,438 0.689,439 -0.116,440 -0.143,442 -0.336,443 -0.089,444 0.976,445 0.359,446 2.449,447 0.503,448 -0.404,449 -0.522,451 -1.048,452 -0.283,453 0.826,454 0.094,455 2.358,456 0.289,457 -0.516,458 -0.659,460 -1.373,461 -0.426,462 12.981,463 0.541,464 0.588,465 0.025,466 34,467 1.417,468 18.5,469 0.771,470 15.5,471 0.646,472 19.198,473 0.8,474 23.019,475 0.743,476 19.262,477 0.803,478 6.086,479 0.254,480 5.584,481 0.233,482 0.081,484 0.308,490 0.688,491 0.779,492 0.694,493 0.626,494 0.563,495 0.571,496 0.542,497 1.154,498 0.738,499 0.954,500 0.587,501 0.847,502 1.169,503 1.083,504 1.235,505 1.186,506 1.18,507 1.125,508 1.172,509 1.135,510 1.068,511 1.138,512 1.335,513 1.021,514 1.257,515 1.037,516 1.055,517 0.998,518 1.412,519 0.798,520 0.66,521 1.251,522 0.895,523 1.12,524 0.547,525 0.796,526 1.257,527 1.219,528 1.223,529 1.127,530 0.794,531 1.025,532 0.988,533 1.026,534 0.949,535 1.012,536 0.934,537 1.033,538 5.5,539 0.097,540 2,541 1.826,542 0.903,543 0.702,544 0.222,545 0.267,546 0.137,547 0.134,548 7470,549 29305,550 2.161,551 22.6,553 5,554 1,556 1,560 1.662,561 2.057,562 3.437,563 -0.136,569 64.626,570 2.085,571 3.797,572 4.58,573 4.954,574 4.954,575 4.954,576 2.928,577 4.252,578 4.558,579 3.604,580 994.702,581 7.83,582 12057.6,584 1,587 153.58,588 1.281,589 4.532,590 0.204,591 0.006,592 0.053,593 0.059,594 0.031,595 0.027,596 0.009,597 0.013,598 0.008,599 0.008,600 0.418,601 0.33,602 1,603 0.49,604 116.064,605 -0.064,606 0.126,607 -0.038,608 0.092,609 -0.065,610 0.07,611 0.183,612 -0.196,613 0.121,614 -0.057,615 0.038,616 -0.096,617 -0.148,618 -0.123,619 -0.197,620 -0.165,621 -0.122,622 -0.099,623 0.014,624 -0.065,625 -0.057,626 -0.092,627 0.011,628 -0.071,629 -0.129,630 0.097,631 0.048,632 0.171,633 -0.135,634 0.146,635 0.094,636 -0.161,637 0.081,638 -0.077,639 0.044,640 0.077,641 -0.444,642 -0.046,643 -0.289,644 -0.1,645 -0.171,646 -0.147,647 0.063,648 0.069,649 -0.006,650 -0.048,651 0.074,652 -0.128,653 1.84,654 5.001,655 0.792,656 22.111,657 1.036,658 1.086,659 2.815,660 7.927,661 0.885,662 3.332,663 3.664,664 3.912,665 4.19,666 4.263,667 4.357,668 4.477,669 4.585,670 4.605,671 4.682,672 6.547,673 0.82,674 410.98,675 3.332,676 4.875,677 5.72,678 6.597,679 7.455,680 8.334,681 9.197,682 10.076,683 10.943,684 11.822,685 12.9,692 1,695 3,698 2,699 6,700 3,703 3,704 5,706 20,710 1,719 1,720 31,723 21,724 1,725 27,727 34,728 14,729 13,730 3,731 3,732 1,735 4,736 5,737 1,749 14,754 1,759 1,763 1,768 7,769 5,770 1,771 10,772 5,775 4,780 0.75,781 1,788 3,789 1,792 1,813 3,814 1,815 4,818 1,821 24,829 1,831 1,836 1,837 1,839 1,840 3.2,843 1,847 11.667,848 5.826,849 5.139,850 1.665,851 3.616,852 1.494,853 1.043,854 4.899,855 10.934,856 3.664,857 4.314,858 4.91,859 5.53,860 5.852,861 6.197,862 6.597,863 7.002,864 7.166,865 7.522,866 1,867 31,868 8.811,870 3.81,871 7.803,872 16.629,874 13.742,877 2.303,878 55.278,882 70.627,883 194.037,884 68.122,885 39.149,886 25.145,888 126.053,889 67.985,890 134.92,891 68.122,893 18.011,894 55.03,895 79.961,896 6.145,897 13.875,898 184.908,899 39.149,900 70.627,901 136.107,902 25.145,903 165.201,905 70.627,906 25.145,909 20.656,910 65.34,911 89.26,912 126.053,913 70.627,914 93.267,915 233.186,918 70.627,919 139.007,920 55.03,921 18.011,922 114.405,923 70.627,924 93.267,925 233.186,927 0.585,928 0.334,929 0.182,930 0.086,931 20,932 8,933 0.118,934 4,935 1,936 1.105,937 3.813,938 193.172,939 0.105,940 19,941 110.039,942 4,945 16.517,946 7.119,947 3.849,948 1.934,949 93.267,950 11.092,951 12.631,954 4.272,955 3.363,957 18.011,958 397.08,959 38,964 12.001,968 -0.174,969 32.131,970 33.657,971 0.421,972 0.766,973 0.924,974 1,975 1,976 1,977 4.883,978 1.49,979 5.7,980 4.264,981 4.344,982 5.001,983 3.027,984 6.479,985 4.085,986 6.106,987 0.807,988 7.233,989 3.784,990 3.892,991 4.796,993 7.235,994 3.477,995 7.414,996 0.684,997 8.857,998 1.916,999 5.911,1000 7.244,1001 5.043,1002 10.313,1003 5.431,1004 8.758,1005 0.618,1006 10.532,1007 1.648,1008 6.275,1009 7.902,1011 11.882,1012 5.654,1013 10.131,1014 0.473,1015 12.241,1016 1.372,1017 7.737,1018 9.764,1019 7.187,1020 14.436,1021 7.067,1022 11.525,1023 -0.116,1024 13.972,1025 1.186,1026 8.474,1027 10.834,1029 16.36,1030 7.681,1031 12.934,1032 -0.404,1033 15.719,1034 -0.336,1035 9.712,1036 12.459,1037 9.348,1038 18.719,1039 8.867,1040 3.024,1041 -0.516,1042 17.48,1043 -1.048,1044 10.628,1045 13.733,1047 20.808,1048 9.671,1049 2.865,1050 9.59,1051 19.25,1052 -1.373,1053 11.772,1054 15.26,1055 11.511,1056 23.089,1057 10.756,1058 2.662,1059 8.744,1060 21.029,1061 4.434,1062 12.773,1063 16.635,1065 25.255,1066 11.654,1067 2.306,1068 7.897,1069 22.814,1070 3.79,1071 13.878,1072 18.124,1073 13.675,1074 27.507,1075 12.691,1076 2.032,1077 6.616,1078 24.604,1079 3.646,1080 14.92,1081 19.55,1083 29.71,1084 13.636,1085 1.759,1086 5.789,1087 26.399,1088 3.12,1089 16.01,1090 21.027,1091 15.838,1092 31.953,1093 14.65,1094 1.541,1095 5.04,1096 28.198,1097 2.635,1098 17.074,1099 22.478,1101 34.176,1102 15.618,1103 6941,1104 13945,1105 18.493,1106 27.449,1107 41.262,1108 43.331,1109 40.711,1110 40.774,1111 40.522,1112 56.409,1113 8.017,1114 115.69,1115 35.262,1116 5.331,1117 6.558,1118 5.869,1119 5.175,1120 5.024,1121 7.434,1122 5.9,1123 15.978,1124 4.729,1125 8.92,1126 1.528,1127 1.605,1128 1.508,1129 1.51,1130 1.501,1131 2.089,1132 0.297,1133 4.285,1134 1.306,1135 4.047,1136 4.054,1137 4.43,1138 4.064,1139 7.429,1140 4.003,1141 3.892,1142 3.901,1143 4.238,1144 3.913,1145 5.051,1146 3.833,1147 3.722,1148 3.743,1149 4.185,1150 3.73,1151 4.982,1152 3.625,1153 3.324,1154 3.334,1155 3.819,1156 3.34,1157 4.637,1158 3.254,1159 3.173,1160 3.199,1161 3.335,1162 2.954,1163 4.629,1164 2.976,1165 2.892,1166 2.938,1167 3.129,1168 2.802,1169 4.003,1170 2.78,1171 2.559,1172 2.576,1173 2.853,1174 2.587,1175 3.827,1176 2.49,1177 2.392,1178 2.458,1179 2.804,1180 2.376,1181 3.535,1182 2.237,1183 0.166,1184 0.169,1185 0.232,1186 0.145,1187 0.112,1188 4.489,1189 0.164,1190 4.558,1191 0.109,1192 6.272,1193 0.355,1194 3.921,1195 0.101,1196 3.024,1197 4.434,1198 2.95,1199 9.59,1200 2.729,1201 1.893,1202 1.881,1203 1.932,1204 1.944,1205 1.099,1206 1.959,1207 1.575,1208 1.564,1209 1.68,1210 1.741,1211 0.742,1212 1.718,1213 1.415,1214 1.407,1215 1.42,1216 1.528,1217 0.617,1218 1.554,1219 1.355,1220 1.376,1221 1.213,1222 1.384,1223 0.542,1224 1.422,1225 1.161,1226 1.162,1227 1.082,1228 1.275,1229 0.341,1230 1.294,1231 1.006,1232 0.966,1233 0.918,1234 1.125,1235 0.163,1236 1.172,1237 0.899,1238 0.884,1239 0.874,1240 0.927,1241 0.074,1242 0.982,1243 0.666,1244 0.625,1245 0.668,1246 0.841,1248 0.874,1249 4.007,1251 5.333,1252 3.434,1253 6.817,1254 5.687,1255 8.376,1256 7.678,1257 9.979,1260 5.98,1266 2.753,1268 1.425,1273 25.43,1274 64.626,1275 117.706,1276 141.97,1277 153.58,1278 153.58,1279 153.58,1280 32.484,1281 7.317,1282 67.77,1283 177.79,1284 21,1285 12.361,1286 4.459,1287 3.585,1288 34.137,1289 95,1290 80,1291 0.175,1292 173.173,1293 276,1294 414.302,1295 15424,1296 3.2,1297 16.518,1298 0.688,1299 0.656,1300 18.433,1301 15.747,1302 11.67,1303 0.432,1304 0.382,1305 6.844,1306 9.397,1307 6.384,1308 5.244,1309 13.637,1310 10.303,1311 10.814,1312 0.285,1313 0.247,1314 14.009,1315 9.385,1316 8.9,1317 0.182,1318 0.142,1319 12.188,1320 6.967,1321 7.628,1322 0.117,1323 0.087,1324 11.288,1325 5.647,1326 5.282,1327 0.075,1328 0.054,1329 8.549,1330 3.807,1331 0.28,1332 92.285,1333 0.233,1334 23.855,1335 0.462,1336 130,1337 436.649,1338 268.987,1339 538.722,1340 725.01,1341 502,1342 152,1343 450.66,1344 253.808,1345 527.185,1346 776.29,1347 494,1348 4.824}
{0 CHEMBL49869,1 2.112,2 12.37,3 6.367,4 40.544,5 115.309,6 13.936,7 0.7,8 3.705,9 3.747,10 3.895,11 3.547,12 4.986,13 3.466,14 4.139,15 4.18,16 4.469,17 3.95,18 5.482,19 3.838,20 4.274,21 4.354,22 4.39,23 3.946,24 5.636,25 3.815,26 4.196,27 4.291,28 4.271,29 3.773,30 5.595,31 3.644,32 3.982,33 4.059,34 4.223,35 3.641,36 5.468,37 3.511,38 3.817,39 3.878,40 4.085,41 3.523,42 5.249,43 3.412,44 3.815,45 3.898,46 3.993,47 3.51,48 5.128,49 3.376,50 3.73,51 3.796,52 4.072,53 3.405,54 5.201,55 3.285,56 0.166,57 0.458,58 3.725,59 1.53,60 10.661,61 1.531,62 0.28,63 0.791,64 9.762,65 4.136,66 17.846,67 2.702,68 0.488,69 0.815,70 23.319,71 5.124,72 40.094,73 4.476,74 0.498,75 0.86,76 20.736,77 6.305,78 47.45,79 4.125,80 0.406,81 0.705,82 18.235,83 5.17,84 43.248,85 3.693,86 0.286,87 0.597,88 13.842,89 4.036,90 25.964,91 2.499,92 0.258,93 0.618,94 13.895,95 4.029,96 20.656,97 2.32,98 0.27,99 0.526,100 12.667,101 3.774,102 23.074,103 2.021,105 17,106 43,107 0.377,108 0.664,109 0.781,110 0.887,111 0.908,112 0.908,113 3.339,114 1.09,115 -4.93,116 -4.84,117 -4.54,120 47.1,140 6,141 1,142 3,144 1,147 1,153 1,157 3,161 1,165 4,168 7,171 2,173 2,176 10,182 4,185 1,187 2,190 10,194 2,195 7,200 2,203 6,206 2,207 5,212 1,215 4,220 7,223 1,225 2,227 5,231 5,239 4,244 1,245 6,250 2,253 4,258 4,263 1,266 3,270 1072,271 17.997,272 17.997,273 17.997,274 17.997,275 17.997,276 15.321,277 14.782,278 10.397,279 19.149,280 14.816,281 14.816,282 14.816,283 14.816,284 14.816,285 10.76,286 15.533,287 5.013,288 17.01,289 2.975,290 1.369,291 0.714,292 0.118,295 4.033,298 3,302 1,303 731,304 3.082,306 138.496,307 177.219,310 119.56,313 1.986,314 29.141,317 1,318 0.83,319 1,320 0.4,322 0.83,323 1,324 0.72,325 58,326 334,327 4.489,328 4.558,329 6.272,330 3.922,331 3.025,332 4.434,333 2.95,334 9.59,335 2.831,336 4.307,337 3.586,338 6.149,339 3.893,340 2.938,341 3.947,342 1.058,343 9.014,344 2.729,345 4.122,346 3.275,347 5.796,348 3.572,349 2.737,350 3.74,352 8.053,353 2.26,354 3.824,355 3.22,356 5.643,357 3.368,358 2.484,359 3.191,361 7.501,362 2.082,363 3.672,364 2.965,365 5.22,366 3.13,367 2.287,368 3.109,370 6.577,371 1.857,372 3.326,373 2.533,374 4.946,375 2.836,376 1.994,377 2.589,379 5.769,380 1.621,381 3.069,382 2.357,383 4.701,384 2.542,385 1.671,386 2.307,388 4.999,389 1.451,390 2.989,391 2.162,392 4.396,393 2.434,394 1.512,395 2.19,397 4.262,398 1.352,399 2.822,400 1.905,401 4.097,402 2.307,403 1.414,404 1.951,406 3.556,407 1.204,408 2.725,409 1.527,410 3.974,411 2.173,412 1.213,413 1.724,415 3.214,416 1.111,417 2.208,418 0.997,419 3.281,420 1.621,421 0.726,422 1.065,424 1.739,425 0.632,426 1.947,427 0.723,428 3.159,429 1.336,430 0.473,431 0.689,433 1.186,434 0.388,435 1.364,436 0.715,437 2.905,438 0.854,439 0.102,440 0.122,442 0.226,443 0.062,444 1.171,445 0.503,446 2.672,447 0.681,448 -0.119,449 -0.148,451 -0.343,452 -0.091,453 0.976,454 0.369,455 2.376,456 0.501,457 -0.399,458 -0.509,460 -1.042,461 -0.281,462 14.576,463 0.54,464 0.784,465 0.029,466 38,467 1.407,468 20.5,469 0.759,470 17.5,471 0.648,472 22.93,473 0.849,474 26.224,475 0.771,476 23.785,477 0.881,478 6.976,479 0.258,480 5.998,481 0.222,482 0.17,484 0.343,490 0.661,491 0.824,492 0.618,493 0.604,494 0.58,495 0.558,496 0.587,497 1.188,498 0.625,499 0.878,500 0.602,501 0.8,502 1.146,503 1.002,504 1.124,505 1.045,506 1.095,507 1.106,508 1.282,509 1.095,510 1.148,511 1.183,512 1.496,513 1.169,514 1.006,515 1.097,516 1.052,517 1.155,518 1.211,519 0.846,520 0.74,521 1.245,522 1.035,523 1.309,524 0.688,525 0.962,526 1.125,527 1.28,528 1.196,529 1.223,530 0.816,531 1.017,532 0.825,533 1.188,534 0.968,535 1.209,536 0.839,537 1.004,538 7,539 0.135,540 2.889,541 2.236,542 1.307,543 0.935,544 0.314,545 0.394,546 0.233,547 0.189,548 10126,549 44633,550 2.097,551 20.6,553 6,556 1,560 1.694,561 1.952,562 3.595,563 -0.162,569 71.812,570 2.112,571 3.719,572 4.374,573 4.97,574 5.087,575 5.087,576 3.051,577 4.134,578 4.728,579 3.757,580 1318.68,581 8.17,582 17615.4,587 172.974,588 1.447,589 4.681,590 0.233,591 0.007,592 0.067,593 0.057,594 0.04,595 0.03,596 0.011,597 0.015,598 0.01,599 0.009,600 0.481,601 0.17,602 0.88,603 0.584,604 136.488,605 -0.06,606 0.111,607 -0.036,608 0.084,609 -0.072,610 0.058,611 0.112,612 -0.218,613 0.126,614 -0.029,615 0.028,616 -0.076,617 -0.164,618 -0.073,619 -0.136,620 -0.076,621 -0.097,622 -0.109,623 -0.178,624 -0.025,625 -0.146,626 -0.074,627 -0.19,628 -0.108,629 0.064,630 0.053,631 -0.027,632 0.062,633 0.099,634 0.177,635 0.12,636 -0.099,637 -0.095,638 -0.225,639 0.141,640 -0.098,641 -0.316,642 -0.052,643 -0.244,644 -0.114,645 -0.163,646 -0.122,647 0.156,648 -0.018,649 0.031,650 -0.137,651 0.107,652 -0.137,653 2.004,654 5.291,655 0.741,656 25.893,657 1.047,658 1.089,659 3.704,660 13.72,661 0.891,662 3.434,663 3.784,664 4.025,665 4.277,666 4.443,667 4.5,668 4.595,669 4.673,670 4.727,671 4.82,672 7.226,673 0.836,674 473.83,675 3.434,676 4.99,677 5.838,678 6.718,679 7.579,680 8.459,681 9.326,682 10.205,683 11.074,684 11.954,685 11.8,692 1,695 3,698 2,699 6,700 3,703 2,704 7,706 21,710 1,719 3,720 34,723 22,724 2,725 30,727 37,728 16,729 15,730 6,731 6,732 1,735 4,736 5,737 3,749 16,754 1,759 1,763 1,768 7,769 5,770 1,771 11,772 6,775 4,780 0.75,781 1,788 2,789 2,792 1,813 3,814 1,815 3,818 3,821 27,829 1,831 1,836 1,839 3,840 2.9,843 1,847 13.833,848 6.445,849 5.75,850 1.84,851 3.932,852 1.517,853 1.028,854 5.851,855 11.544,856 3.75,857 4.419,858 5.007,859 5.609,860 6.058,861 6.336,862 6.703,863 7.047,864 7.248,865 7.618,866 1,867 39,868 9.898,870 4.296,871 7.907,872 18.426,874 15.155,877 2.407,878 65,882 70.627,883 173.415,884 68.122,885 117.446,886 25.145,888 94.775,889 78.64,890 213.217,891 68.122,893 18.011,894 56.857,895 79.961,896 16.332,897 0.746,898 165.402,899 117.446,900 70.627,901 146.762,902 25.145,903 212.221,905 70.627,906 25.145,909 20.656,910 75.995,911 167.557,912 94.775,913 70.627,914 93.267,915 290.861,918 70.627,919 116.558,920 56.857,921 18.011,922 192.702,923 70.627,924 93.267,925 290.861,927 0.594,928 0.34,929 0.175,930 0.094,931 22,932 10,933 0.108,934 4,935 1,936 1.1,937 4.003,938 226.737,939 0.1,940 20,941 128.382,942 3,945 19.335,946 8.171,947 4.541,948 1.882,949 93.267,950 10.245,951 12.612,954 2.803,955 3.617,957 18.011,958 454.755,959 41.5,964 12.291,968 -0.337,969 35.586,970 37.04,971 0.415,972 0.731,973 0.86,974 0.977,975 1,976 1,977 4.985,978 1.512,979 5.838,980 4.999,981 4.466,982 5.106,983 3.027,984 6.629,985 4.212,986 6.224,987 1.414,988 7.388,989 4.262,990 4.111,991 4.997,993 7.424,994 3.663,995 7.545,996 1.213,997 9.027,998 3.556,999 6.057,1000 7.367,1001 5.043,1002 10.484,1003 5.607,1004 8.898,1005 0.726,1006 10.714,1007 3.214,1008 6.463,1009 8.05,1011 12.048,1012 5.848,1013 10.277,1014 0.473,1015 12.431,1016 1.739,1017 7.9,1018 9.899,1019 7.187,1020 14.608,1021 7.289,1022 11.674,1023 0.102,1024 14.168,1025 1.186,1026 8.655,1027 10.964,1029 16.518,1030 7.917,1031 13.087,1032 -0.119,1033 15.92,1034 0.226,1035 9.885,1036 12.592,1037 9.348,1038 18.883,1039 9.136,1040 3.025,1041 -0.399,1042 17.683,1043 -0.343,1044 10.808,1045 13.854,1047 20.959,1048 9.96,1049 2.938,1050 9.59,1051 19.455,1052 -1.042,1053 11.95,1054 15.385,1055 11.511,1056 23.243,1057 11.076,1058 2.737,1059 9.014,1060 21.235,1061 4.434,1062 12.954,1063 16.747,1065 25.4,1066 11.998,1067 2.484,1068 8.053,1069 23.02,1070 3.947,1071 14.06,1072 18.237,1073 13.675,1074 27.653,1075 13.066,1076 2.287,1077 7.501,1078 24.81,1079 3.74,1080 15.104,1081 19.651,1083 29.85,1084 14.039,1085 1.994,1086 6.577,1087 26.605,1088 3.191,1089 16.195,1090 21.127,1091 15.838,1092 32.092,1093 15.084,1094 1.671,1095 5.769,1096 28.403,1097 3.109,1098 17.259,1099 22.568,1101 34.31,1102 16.084,1103 9527,1104 20184,1105 19.997,1106 30.278,1107 45.799,1108 49.194,1109 46.546,1110 45.468,1111 45.149,1112 62.113,1113 8.017,1114 131.371,1115 39.159,1116 5.324,1117 6.558,1118 5.576,1119 5.175,1120 5.025,1121 7.434,1122 5.9,1123 15.987,1124 4.831,1125 13.809,1126 1.527,1127 1.64,1128 1.552,1129 1.516,1130 1.505,1131 2.07,1132 0.267,1133 4.379,1134 1.305,1135 4.048,1136 4.055,1137 4.43,1138 4.064,1139 7.429,1140 4.004,1141 3.936,1142 3.95,1143 4.208,1144 3.885,1145 5.06,1146 3.875,1147 3.739,1148 3.764,1149 4.113,1150 3.732,1151 5.025,1152 3.633,1153 3.339,1154 3.346,1155 3.82,1156 3.343,1157 4.98,1158 3.26,1159 3.241,1160 3.25,1161 3.501,1162 3.096,1163 4.631,1164 3.102,1165 2.892,1166 2.938,1167 3.397,1168 2.806,1169 4.49,1170 2.78,1171 2.878,1172 2.921,1173 3.261,1174 2.791,1175 4.216,1176 2.765,1177 2.696,1178 2.735,1179 2.929,1180 2.651,1181 4.002,1182 2.578,1183 0.15,1184 0.152,1185 0.209,1186 0.131,1187 0.101,1188 4.489,1189 0.148,1190 4.558,1191 0.098,1192 6.272,1193 0.32,1194 3.922,1195 0.094,1196 3.025,1197 4.434,1198 2.95,1199 9.59,1200 2.831,1201 1.893,1202 1.881,1203 1.941,1204 1.964,1205 1.099,1206 1.968,1207 1.891,1208 1.879,1209 1.932,1210 1.944,1211 1.071,1212 1.959,1213 1.395,1214 1.421,1215 1.355,1216 1.586,1217 0.576,1218 1.551,1219 1.306,1220 1.287,1221 1.213,1222 1.376,1223 0.389,1224 1.422,1225 1.022,1226 1.029,1227 1.097,1228 1.225,1229 0.201,1230 1.186,1231 0.929,1232 0.898,1233 0.944,1234 1.037,1235 0.163,1236 1.083,1237 0.899,1238 0.881,1239 0.878,1240 0.995,1241 0.13,1242 1.032,1243 0.866,1244 0.824,1245 0.839,1246 0.926,1247 0.004,1248 0.981,1249 4.111,1251 5.451,1252 3.045,1253 6.957,1254 5.352,1255 8.54,1256 7.391,1257 10.162,1260 17.799,1266 2.702,1268 1.387,1273 28.425,1274 71.812,1275 126.444,1276 148.709,1277 168.974,1278 172.974,1279 172.974,1280 44.48,1281 7.612,1282 67.77,1283 149.55,1284 22,1285 12.492,1286 4.524,1287 3.644,1288 40.539,1289 120,1290 101,1291 0.166,1292 194.965,1293 319.87,1294 467.475,1295 22844,1296 8.8,1297 18.966,1298 0.702,1299 0.659,1300 21.527,1301 17.79,1302 12.974,1303 0.432,1304 0.363,1305 7.547,1306 10.618,1307 7.086,1308 5.798,1309 15.065,1310 10.9,1311 12.297,1312 0.286,1313 0.23,1314 15.651,1315 9.903,1316 10.139,1317 0.184,1318 0.132,1319 13.626,1320 7.274,1321 8.208,1322 0.116,1323 0.078,1324 11.643,1325 5.567,1326 6.354,1327 0.076,1328 0.049,1329 9.735,1330 4.082,1331 0.268,1332 101.922,1333 0.224,1334 26.409,1335 0.434,1336 146,1337 504.195,1338 293.743,1339 643.913,1340 844.83,1341 596,1342 171,1343 504.986,1344 280.832,1345 588.334,1346 866.83,1347 551,1348 5.602}
{0 CHEMBL50,1 1.516,2 7.909,3 1.504,4 2.261,5 75.428,6 9.445,7 0.5,8 3.653,9 3.689,10 3.355,11 3.153,12 5.103,13 3.218,14 4.032,15 4.068,16 3.775,17 3.526,18 5.509,19 3.594,20 4.365,21 4.421,22 3.954,23 3.633,24 6.023,25 3.716,26 4.422,27 4.517,28 3.873,29 3.534,30 6.107,31 3.61,32 4.282,33 4.39,34 3.634,35 3.406,36 5.853,37 3.461,38 4.126,39 4.237,40 3.499,41 3.263,42 5.787,43 3.306,44 3.986,45 4.108,46 3.344,47 3.087,48 5.728,49 3.127,50 3.824,51 3.947,52 2.987,53 2.808,54 5.451,55 2.845,56 0.345,57 0.385,58 4.328,59 2.984,60 53.135,61 2.053,62 0.381,63 0.581,64 5.027,65 4.56,66 53.625,67 3.695,68 0.881,69 0.76,70 10.022,71 5.938,72 127.752,73 4.657,74 1.143,75 0.783,76 14.195,77 6.214,78 149.904,79 5.501,80 0.944,81 0.685,82 12.853,83 5.449,84 133.42,85 4.508,86 0.817,87 0.59,88 10.793,89 4.732,90 129.32,91 4.314,92 0.708,93 0.512,94 9.733,95 4.15,96 117.464,97 4.112,98 0.623,99 0.422,100 8.482,101 3.367,102 103.425,103 2.735,105 37,106 36,107 0.281,108 0.568,109 0.723,110 0.858,111 0.916,112 0.927,113 3.148,114 0.765,115 -1.46,116 -1.54,117 -1.59,120 46.9,138 2,140 5,141 2,142 5,152 1,165 3,168 4,173 6,176 5,182 2,185 2,186 1,187 6,190 1,194 1,195 5,198 3,199 1,200 6,203 2,207 2,210 1,211 1,212 3,215 4,220 1,223 2,224 1,225 2,227 3,234 1,235 2,236 6,239 2,248 1,250 4,253 1,262 2,263 1,270 564,271 14.223,272 14.223,273 14.223,274 14.223,275 14.223,276 12.238,277 14.586,278 7.94,279 14.466,280 11.764,281 11.764,282 11.764,283 11.764,284 11.764,285 8.768,286 17.089,287 3.736,288 12.246,289 3.484,290 1.939,291 1.101,292 0.375,293 0.063,295 3.818,300 1,301 1,302 1,303 368,304 2.236,307 165.599,311 88.661,313 1.198,314 49.811,316 1,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 51,326 174,327 4.645,328 3.756,329 6.925,330 4.266,331 3.291,332 4.292,333 0.86,334 11.548,335 3.209,336 4.298,337 3.116,338 6.384,339 3.875,340 2.903,341 3.961,343 9.691,344 2.818,345 4.028,346 2.985,347 5.898,348 3.577,349 2.625,350 3.534,352 8.016,353 2.49,354 3.629,355 2.878,356 5.542,357 3.269,358 2.294,359 2.954,361 6.971,362 2.22,363 3.289,364 2.337,365 5.06,366 2.889,367 1.958,368 2.533,370 5.813,371 1.813,372 3.264,373 2.252,374 4.989,375 2.851,376 1.899,377 2.502,379 5.561,380 1.792,381 2.828,382 1.902,383 4.451,384 2.372,385 1.414,386 1.951,388 3.901,389 1.347,390 2.806,391 1.712,392 4.039,393 2.318,394 1.354,395 1.818,397 3.505,398 1.286,399 1.693,400 1.262,401 3.355,402 1.343,403 0.422,404 0.489,406 1.037,407 0.38,408 1.403,409 0.598,410 3.062,411 1.021,412 0.101,413 0.122,415 0.235,416 0.091,417 1.263,418 0.438,419 2.669,420 0.88,421 -0.095,422 -0.126,424 -0.248,425 -0.091,426 0.972,427 -0.047,428 2.542,429 0.578,430 -0.356,431 -0.448,433 -0.97,434 -0.328,435 0.726,436 -0.081,437 2.374,438 0.325,439 -0.588,440 -0.682,442 -1.442,443 -0.519,444 0.495,445 -0.379,446 2.129,447 0.161,448 -0.742,449 -0.925,451 -1.901,452 -0.672,453 0.132,454 -0.684,455 1.888,456 -0.233,457 -1.179,458 -1.414,460 -3.202,461 -1.084,462 9.833,463 0.447,464 0.792,465 0.036,466 31.5,467 1.432,468 17.5,469 0.795,470 14,471 0.636,472 13.685,473 0.622,474 23.767,475 0.743,476 25.318,477 1.151,478 6.521,479 0.296,480 3.859,481 0.175,482 0.203,484 0.508,490 1.065,491 0.746,492 0.762,493 0.708,494 1.049,495 0.614,496 0.775,497 1.184,498 0.566,499 1.147,500 0.678,501 0.881,502 0.974,503 1.157,504 0.872,505 1.139,506 0.9,507 1.015,508 0.959,509 1.013,510 0.944,511 1.01,512 0.906,513 0.983,514 1.184,515 0.942,516 1.157,517 0.943,518 1.163,519 1.002,520 0.945,521 0.989,522 1.049,523 1.004,524 1.065,525 1.057,526 0.823,527 1.052,528 0.966,529 1.069,530 0.866,531 1.088,532 1.34,533 1.117,534 1.461,535 1.139,536 1.426,537 1.289,538 5.5,539 0.012,540 3.333,541 2.375,542 2.133,543 0.931,544 0.669,545 0.311,546 0.197,547 0.117,548 4248,549 17512,550 1.991,551 31.3,553 5,556 5,560 1.65,561 1.784,562 2.989,563 2.779,565 1,567 1,569 48.526,570 1.516,571 3.061,572 3.899,573 4.625,574 4.938,575 5,576 2.461,577 3.971,578 4.433,579 3.105,580 717.251,581 7.641,582 7533.79,583 1,584 1,586 1,587 160,588 1.539,589 4.344,590 0.229,591 0.004,592 0.093,593 0.059,594 0.061,595 0.033,596 0.028,597 0.016,598 0.015,599 0.015,600 0.553,601 0.33,602 1,603 0.714,604 98.502,605 -0.264,606 0.28,607 -0.123,608 0.291,609 -0.286,610 0.208,611 -0.079,612 -0.165,613 0.043,614 -0.145,615 -0.041,616 -0.039,617 -0.028,618 -0.17,619 -0.071,620 -0.174,621 -0.02,622 -0.156,623 0.079,624 -0.049,625 0.04,626 -0.053,627 0.06,628 -0.037,629 -0.167,630 0.022,631 -0.163,632 0.019,633 -0.157,634 -0.039,635 0.03,636 -0.025,637 -0.056,638 -0.036,639 -0.019,640 -0.074,641 0.134,642 -0.095,643 0.069,644 -0.1,645 0.181,646 -0.069,647 -0.256,648 -0.174,649 -0.383,650 -0.194,651 -0.257,652 -0.302,653 2.554,654 5.143,655 0.727,656 14.364,657 1.053,658 1.111,659 0.233,660 0.054,661 0.687,662 3.219,663 3.611,664 3.912,665 4.19,666 4.443,667 4.564,668 4.644,669 4.7,670 4.779,671 4.7,672 4.84,673 0.707,674 302.25,675 3.219,676 4.796,677 5.673,678 6.583,679 7.478,680 8.392,681 9.294,682 10.21,683 11.115,684 12.031,699 5,704 7,706 12,708 1,717 4,718 1,720 32,723 14,724 2,725 24,727 34,728 15,729 12,730 7,731 5,732 3,735 3,736 4,749 15,754 2,759 1,763 3,764 1,765 1,768 10,769 7,770 5,771 7,780 0.667,781 7,789 3,793 1,805 2,811 1,813 2,821 22,827 5,830 1,840 21.9,842 5,843 1,845 1,847 12.333,848 5.5,849 4.694,850 1.59,851 2.665,852 1.382,853 0.863,854 3.385,855 9.639,856 3.497,857 4.174,858 4.775,859 5.342,860 5.885,861 6.199,862 6.495,863 6.845,864 7.183,865 7.402,866 1,867 40,868 8.199,870 3.841,871 8.553,872 14.235,874 11.784,877 3.053,878 67.167,882 58.856,883 69.373,886 249.562,889 69.373,890 308.417,894 47.381,895 248.939,896 22.614,898 58.856,900 58.856,901 69.373,902 249.562,905 58.856,906 249.562,910 64.129,911 5.243,913 58.856,914 249.562,915 69.373,918 58.856,919 21.991,920 47.381,922 249.562,923 58.856,924 249.562,925 69.373,927 0.607,928 0.367,929 0.192,930 0.105,931 19,932 10,933 0.029,934 1,935 1,936 1.125,937 3.207,938 181.861,939 0.125,940 16,941 98.107,945 14.556,946 5.116,947 2.375,949 249.562,950 5.641,955 -1.961,957 213.417,958 377.79,959 32,964 12.143,968 -1.919,969 33.709,970 35.542,971 0.303,972 0.612,973 0.78,974 0.925,975 0.988,976 1,977 4.771,978 1.354,979 5.714,980 3.901,981 4.29,982 4.86,983 0.908,984 6.594,985 4.212,986 6.037,987 0.422,988 7.33,989 3.505,990 4.111,991 4.879,993 7.615,994 3.985,995 7.389,996 0.101,997 9.041,998 1.037,999 5.964,1000 7.126,1001 0.739,1002 10.749,1003 5.828,1004 8.772,1005 -0.095,1006 10.804,1007 0.235,1008 6.524,1009 7.87,1011 12.549,1012 6.346,1013 10.182,1014 -0.356,1015 12.6,1016 -0.248,1017 7.926,1018 9.656,1019 0.593,1020 15.236,1021 7.739,1022 11.61,1023 -0.588,1024 14.419,1025 -0.97,1026 8.817,1027 10.739,1029 17.383,1030 8.596,1031 13.054,1032 -0.742,1033 16.255,1034 -1.442,1035 10.058,1036 12.335,1037 0.469,1038 19.908,1039 9.824,1040 3.291,1041 -1.179,1042 18.105,1043 -1.901,1044 11.101,1045 13.587,1047 22.212,1048 10.837,1049 2.903,1050 11.548,1051 19.967,1052 -3.202,1053 12.286,1054 15.096,1055 0.366,1056 24.677,1057 12.005,1058 2.625,1059 9.691,1060 21.838,1061 4.292,1062 13.397,1063 16.435,1065 27.052,1066 13.09,1067 2.294,1068 8.016,1069 23.717,1070 3.961,1071 14.567,1072 17.904,1073 0.283,1074 29.497,1075 14.239,1076 1.958,1077 6.971,1078 25.603,1079 3.534,1080 15.711,1081 19.29,1083 31.905,1084 15.358,1085 1.899,1086 5.813,1087 27.494,1088 2.954,1089 16.879,1090 20.741,1091 0.217,1092 34.344,1093 16.505,1094 1.414,1095 5.561,1096 29.39,1097 2.533,1098 18.04,1099 22.151,1101 36.769,1102 17.642,1103 4249,1104 8705,1105 15.145,1106 21.989,1107 37.1,1108 38.754,1109 39.411,1110 36.562,1111 36.524,1112 48.313,1113 1.72,1114 112.557,1115 34.892,1116 5.508,1117 5.756,1118 6.223,1119 5.363,1120 5.291,1121 7.292,1122 1.72,1123 19.201,1124 5.209,1125 13.755,1126 1.546,1127 1.615,1128 1.642,1129 1.523,1130 1.522,1131 2.013,1132 0.072,1133 4.69,1134 1.454,1135 4.028,1136 4.026,1137 4.006,1138 3.935,1139 7.429,1140 3.95,1141 3.863,1142 3.873,1143 3.822,1144 3.787,1145 6.531,1146 3.793,1147 3.485,1148 3.477,1149 3.452,1150 3.326,1151 6.492,1152 3.356,1153 3.068,1154 3.061,1155 3.024,1156 2.857,1157 6.459,1158 2.892,1159 2.936,1160 2.97,1161 2.829,1162 2.746,1163 6.445,1164 2.75,1165 2.892,1166 2.913,1167 2.783,1168 2.709,1169 6.402,1170 2.723,1171 2.782,1172 2.782,1173 2.706,1174 2.495,1175 4.754,1176 2.537,1177 2.592,1178 2.573,1179 2.508,1180 2.143,1181 4.443,1182 2.238,1183 0.194,1184 0.156,1185 0.289,1186 0.178,1187 0.137,1188 4.645,1189 0.179,1190 3.756,1191 0.036,1192 6.925,1193 0.481,1194 4.266,1195 0.134,1196 3.291,1197 4.292,1198 0.86,1199 11.548,1200 3.209,1201 1.952,1202 1.951,1203 2.007,1204 2.062,1205 1.125,1206 2.04,1207 1.835,1208 1.824,1209 1.911,1210 1.936,1211 1.02,1212 1.927,1213 1.383,1214 1.387,1215 1.447,1216 1.582,1217 0.483,1218 1.535,1219 0.938,1220 0.936,1221 1.14,1222 1.216,1223 0.16,1224 1.163,1225 0.883,1226 0.839,1227 1.091,1228 1.14,1229 0.095,1230 1.13,1231 0.815,1232 0.791,1233 1.001,1234 1.079,1235 0.023,1236 1.048,1237 0.613,1238 0.603,1239 0.836,1240 0.99,1242 0.935,1243 0.305,1244 0.319,1245 0.62,1246 0.829,1248 0.736,1249 3.892,1251 5.263,1253 6.836,1255 8.508,1257 10.23,1264 47.909,1267 5.353,1273 22.638,1274 48.526,1275 97.952,1276 124.781,1277 148,1278 158,1279 160,1280 63.985,1281 6.974,1282 131.36,1283 131.36,1284 18,1285 12.544,1286 3.907,1287 3.17,1288 34.277,1289 64,1290 64,1291 0.276,1292 137.03,1293 249.59,1294 326.113,1295 8350,1297 16.016,1298 0.728,1299 0.497,1300 16.016,1301 10.939,1302 10.38,1303 0.432,1304 0.255,1305 6.005,1306 9.868,1307 5.94,1308 4.863,1309 10.38,1310 6.123,1311 10.037,1312 0.279,1313 0.129,1314 10.037,1315 4.65,1316 8.612,1317 0.176,1318 0.065,1319 8.612,1320 3.173,1321 7.132,1322 0.11,1323 0.033,1324 7.132,1325 2.135,1326 5.547,1327 0.066,1328 0.017,1329 5.547,1330 1.41,1331 0.413,1332 66.56,1333 0.257,1334 21.023,1335 0.819,1336 120,1337 466.219,1338 136.83,1339 439.531,1340 577.37,1341 402,1342 145,1343 415.061,1344 162.607,1345 414.148,1346 610.53,1347 389,1348 4}
{0 CHEMBL50656,1 1.744,2 12.28,3 5.242,4 27.478,5 98.842,6 10.559,7 0.63,8 3.769,9 3.84,10 3.615,11 3.373,12 5.078,13 3.375,14 4.197,15 4.287,16 4.016,17 3.725,18 5.575,19 3.711,20 4.45,21 4.581,22 4.074,23 3.81,24 5.818,25 3.773,26 4.379,27 4.549,28 3.913,29 3.684,30 5.629,31 3.629,32 4.283,33 4.471,34 3.829,35 3.582,36 5.528,37 3.516,38 4.176,39 4.346,40 3.822,41 3.454,42 5.53,43 3.414,44 4.059,45 4.225,46 3.527,47 3.335,48 5.335,49 3.293,50 3.938,51 4.124,52 3.435,53 3.238,54 5.179,55 3.18,56 0.161,57 0.488,58 3.164,59 3.25,60 18.102,61 3.102,62 0.304,63 0.737,64 5.965,65 5.225,66 39.39,67 5.187,68 0.641,69 0.944,70 20.179,71 7.13,72 63.03,73 6.752,74 0.458,75 0.92,76 16.583,77 6.508,78 41.116,79 6.552,80 0.404,81 0.818,82 18.098,83 6.346,84 40.796,85 6.895,86 0.42,87 0.709,88 18.317,89 5.747,90 42.645,91 5.805,92 0.369,93 0.635,94 14.671,95 4.726,96 44.924,97 4.606,98 0.311,99 0.569,100 10.257,101 4.229,102 34.142,103 5.012,105 20,106 37,107 0.308,108 0.597,109 0.726,110 0.859,111 0.881,112 0.881,113 3.266,114 0.9,115 -4.26,116 -4.2,117 -3.97,118 1,120 47.4,126 1,140 9,141 2,142 5,153 1,161 1,162 1,164 1,165 8,168 5,169 1,171 1,173 1,176 11,181 1,182 9,185 2,187 3,190 9,195 6,198 1,200 3,203 4,204 2,206 1,207 6,212 2,215 4,216 2,219 1,220 4,225 5,227 6,231 1,232 1,236 2,239 8,244 1,245 2,246 1,248 1,253 8,257 1,258 2,261 2,266 4,270 914,271 16.654,272 16.654,273 16.654,274 16.654,275 16.654,276 14.253,277 15.384,278 9.843,279 17.043,280 13.304,281 13.304,282 13.304,283 13.304,284 13.304,285 9.694,286 11.436,287 4.705,288 14.012,289 3.504,290 1.87,291 1.139,292 0.388,293 0.263,294 0.263,295 3.949,301 1,302 1,303 651,304 3.24,307 224.497,311 119.588,313 1.914,314 29.447,317 1,318 1,319 1,320 0.4,322 1,323 1,324 0.77,325 54.75,326 307,327 4.575,328 3.627,329 6.633,330 4.103,331 3.124,332 4.519,333 2.423,334 10.534,335 3.054,336 4.072,337 3.246,338 5.715,339 3.633,340 2.67,341 3.681,342 0.922,343 7.68,344 2.569,345 3.886,346 2.887,347 5.49,348 3.427,349 2.489,350 3.408,352 7.359,353 2.329,354 3.61,355 2.847,356 5.145,357 3.242,358 2.287,359 2.901,361 6.407,362 2.169,363 3.471,364 2.508,365 4.973,366 3.036,367 2.073,368 2.721,370 5.73,371 1.974,372 3.36,373 2.263,374 4.647,375 2.879,376 1.974,377 2.636,379 5.029,380 1.73,381 3.217,382 1.863,383 4.602,384 2.735,385 1.75,386 2.545,388 4.782,389 1.643,390 2.526,391 1.467,392 3.662,393 2,394 1,395 1.5,397 2.404,398 1,399 2.5,400 1.204,401 3.414,402 1.939,403 0.992,404 1.385,406 2.275,407 0.915,408 2.384,409 1,410 3.328,411 1.838,412 0.865,413 1.292,415 1.997,416 0.838,417 1.832,418 0.865,419 2.99,420 1.489,421 0.584,422 0.688,424 1.313,425 0.519,426 1.423,427 0.539,428 2.708,429 1.005,430 0.067,431 0.085,433 0.161,434 0.061,435 1.157,436 0.338,437 2.523,438 0.671,439 -0.202,440 -0.258,442 -0.475,443 -0.126,444 0.991,445 0.318,446 2.352,447 0.54,448 -0.403,449 -0.528,451 -0.944,452 -0.365,453 0.707,454 -0.075,455 2.142,456 0.221,457 -0.713,458 -0.951,460 -1.941,461 -0.611,462 12.467,463 0.499,464 0.647,465 0.026,466 36.25,467 1.45,468 21,469 0.84,470 15.25,471 0.61,472 17.043,473 0.682,474 25.333,475 0.667,476 25.059,477 1.002,478 7.198,479 0.288,480 4.827,481 0.193,482 0.187,484 0.321,490 0.838,491 0.888,492 0.485,493 0.715,494 0.845,495 0.726,496 0.759,497 1.171,498 0.602,499 0.878,500 0.529,501 0.901,502 0.984,503 1.092,504 1.024,505 0.972,506 0.925,507 1.023,508 1,509 1.129,510 0.84,511 0.94,512 0.779,513 1.052,514 0.853,515 1.015,516 0.857,517 0.898,518 0.856,519 0.951,520 0.972,521 1.011,522 0.92,523 0.994,524 1.129,525 0.958,526 1.179,527 1.002,528 0.818,529 0.952,530 1.329,531 1.028,532 0.617,533 0.903,534 0.451,535 0.835,536 0.612,537 0.955,538 5.5,539 0.136,540 2.889,541 1.188,542 1.56,543 0.722,544 0.384,545 0.351,546 0.184,547 0.117,548 7779,549 29809,550 2.038,551 34.2,553 11,556 2,560 1.673,561 1.899,562 3.553,563 0.312,569 66.257,570 1.744,571 3.378,572 4.109,573 4.86,574 4.985,575 4.985,576 3.083,577 4.244,578 4.611,579 3.732,580 1119.45,581 7.937,582 14143.8,587 199.421,588 1.44,589 4.569,590 0.204,591 0.009,592 0.078,593 0.032,594 0.052,595 0.027,596 0.015,597 0.017,598 0.01,599 0.007,600 0.45,601 0.17,602 1,603 1.166,604 123.441,605 -0.085,606 0.133,607 -0.009,608 0.071,609 -0.152,610 0.055,611 0.031,612 -0.173,613 0.004,614 -0.044,615 0.117,616 -0.068,617 0.007,618 -0.069,619 -0.108,620 -0.042,621 -0.03,622 -0.122,623 -0.143,624 -0.067,625 -0.052,626 -0.046,627 -0.073,628 -0.11,629 -0.042,630 0.005,631 0.003,632 0.042,633 -0.03,634 0.061,635 -0.017,636 -0.019,637 0.018,638 -0.031,639 -0.045,640 0.036,641 -0.214,642 0.013,643 -0.065,644 -0.051,645 -0.261,646 -0.075,647 0.157,648 0.095,649 0.081,650 0.022,651 0.093,652 0.049,653 2.706,654 4.34,655 0.64,656 25.677,657 1.027,658 1.11,659 3.032,660 9.196,661 0.73,662 3.332,663 3.638,664 3.85,665 4.06,666 4.317,667 4.331,668 4.357,669 4.466,670 4.533,671 4.466,672 7.029,673 0.713,674 401.23,675 3.332,676 4.86,677 5.687,678 6.547,679 7.394,680 8.259,681 9.116,682 9.983,683 10.846,684 11.716,685 5.3,697 2,698 2,699 9,704 5,706 17,717 1,718 1,719 1,720 38,723 19,724 3,725 27,726 1,727 40,728 18,729 16,730 7,731 9,735 3,736 4,749 17,750 1,754 2,759 1,762 2,763 1,768 13,769 6,770 2,771 7,772 1,775 2,779 1,780 0.667,781 4,789 3,793 1,802 1,811 1,813 2,816 1,821 25,827 2,828 1,830 1,839 1,840 10.5,842 2,843 1,845 1,847 13.167,848 6.776,849 5.5,850 2.033,851 4.091,852 1.572,853 0.943,854 5.315,855 11.246,856 3.651,857 4.277,858 4.862,859 5.453,860 6.075,861 6.387,862 6.767,863 7.208,864 7.635,865 7.83,866 1,867 37,868 9.166,870 3.88,871 8.063,872 16.864,874 13.38,877 2.563,878 64.083,882 129.482,883 109.746,884 79.28,886 121.512,889 155.701,890 250.994,891 33.326,893 4.592,894 85.286,895 111.421,896 29.958,897 33.326,898 129.482,899 45.954,900 129.482,901 143.072,902 121.512,904 45.954,905 129.482,906 121.512,909 4.592,910 105.154,911 33.326,912 45.954,913 129.482,914 154.838,915 155.701,918 129.482,919 24.46,920 85.286,921 45.954,922 154.838,923 129.482,924 154.838,925 155.701,927 0.581,928 0.321,929 0.163,930 0.096,931 17,932 8,933 0.125,934 5,935 1,936 1.125,937 3.79,938 194.956,939 0.125,940 16,941 112.096,945 17.396,946 7.638,947 4.352,948 1.586,949 154.838,950 15.623,955 2.341,957 85.367,958 440.02,959 37.5,964 10.458,967 8.163,968 -1.039,969 39.044,970 42.167,971 0.332,972 0.644,973 0.783,974 0.926,975 0.95,976 0.95,977 4.862,978 1,979 5.666,980 4.782,981 4.317,982 4.963,983 2.502,984 6.431,985 4.222,986 6.085,987 0.992,988 7.201,989 2.404,990 3.892,991 4.796,992 2.243,993 7.256,994 3.713,995 7.392,996 0.865,997 8.832,998 2.275,999 5.872,1000 7.212,1001 3.836,1002 10.313,1003 5.71,1004 8.734,1005 0.584,1006 10.519,1007 1.997,1008 6.217,1009 7.849,1010 4.238,1011 11.968,1012 5.991,1013 10.103,1014 0.067,1015 12.244,1016 1.313,1017 7.688,1018 9.751,1019 5.437,1020 14.571,1021 7.474,1022 11.494,1023 -0.202,1024 13.997,1025 0.161,1026 8.408,1027 10.799,1028 6.111,1029 16.604,1030 8.151,1031 12.903,1032 -0.403,1033 15.772,1034 -0.475,1035 9.667,1036 12.477,1037 7.138,1038 19.052,1039 9.413,1040 3.124,1041 -0.713,1042 17.564,1043 -0.944,1044 10.585,1045 13.748,1046 7.928,1047 21.26,1048 10.3,1049 2.67,1050 10.534,1051 19.372,1052 -1.941,1053 11.755,1054 15.324,1055 8.878,1056 23.65,1057 11.466,1058 2.489,1059 7.68,1060 21.193,1061 4.519,1062 12.776,1063 16.712,1064 9.719,1065 25.938,1066 12.464,1067 2.287,1068 7.359,1069 23.025,1070 3.681,1071 13.912,1072 18.242,1073 10.635,1074 28.306,1075 13.59,1076 2.073,1077 6.407,1078 24.866,1079 3.408,1080 14.986,1081 19.689,1082 11.499,1083 30.63,1084 14.643,1085 1.974,1086 5.73,1087 26.716,1088 2.901,1089 16.112,1090 21.202,1091 12.399,1092 32.99,1093 15.756,1094 1.75,1095 5.029,1096 28.572,1097 2.721,1098 17.214,1099 22.679,1100 13.274,1101 35.33,1102 16.838,1103 7608,1104 14996,1105 17.8,1106 27.75,1107 40.379,1108 40.835,1109 40.901,1110 39.985,1111 39.751,1112 54.723,1113 6.69,1114 111.341,1115 37.601,1116 5.377,1117 5.627,1118 6.047,1119 5.142,1120 5.124,1121 7.519,1122 4.104,1123 17.749,1124 5.054,1125 13.31,1126 1.496,1127 1.512,1128 1.515,1129 1.481,1130 1.472,1131 2.027,1132 0.248,1133 4.124,1134 1.393,1135 4.089,1136 4.105,1137 6.88,1138 4.051,1139 7.474,1140 4.045,1141 3.903,1142 3.927,1143 4.021,1144 3.819,1145 6.469,1146 3.822,1147 3.548,1148 3.566,1149 3.847,1150 3.45,1151 6.351,1152 3.43,1153 3.49,1154 3.507,1155 3.472,1156 3.251,1157 5.013,1158 3.296,1159 3.114,1160 3.164,1161 3.35,1162 2.982,1163 4.809,1164 2.979,1165 3.035,1166 3.062,1167 3.032,1168 2.845,1169 4.67,1170 2.863,1171 2.854,1172 2.925,1173 2.935,1174 2.735,1175 4.255,1176 2.715,1177 2.746,1178 2.767,1179 2.687,1180 2.638,1181 4.084,1182 2.613,1183 0.169,1184 0.134,1185 0.246,1186 0.152,1187 0.116,1188 4.575,1189 0.167,1190 3.627,1191 0.09,1192 6.633,1193 0.39,1194 4.103,1195 0.113,1196 3.124,1197 4.519,1198 2.423,1199 10.534,1200 3.054,1201 2.06,1202 2.048,1203 2.112,1204 2.118,1205 1.277,1206 2.121,1207 1.873,1208 1.85,1209 1.975,1210 1.982,1211 1.048,1212 1.979,1213 1.48,1214 1.453,1215 1.586,1216 1.694,1217 0.699,1218 1.651,1219 1.381,1220 1.367,1221 1.566,1222 1.584,1223 0.671,1224 1.588,1225 1.073,1226 1.037,1227 1.234,1228 1.266,1229 0.309,1230 1.257,1231 0.911,1232 0.876,1233 1.181,1234 1.174,1235 0.218,1236 1.124,1237 0.886,1238 0.821,1239 1.017,1240 1.062,1241 0.066,1242 1.107,1243 0.666,1244 0.639,1245 0.918,1246 0.967,1248 0.919,1249 4.007,1251 5.313,1253 6.81,1255 8.399,1257 10.04,1258 3.395,1264 18.911,1265 -0.401,1267 5.046,1273 27.088,1274 66.257,1275 128.363,1276 156.137,1277 184.666,1278 189.421,1279 189.421,1280 44.799,1281 7.155,1282 91.48,1283 91.48,1284 18,1285 12.261,1286 4.322,1287 3.524,1288 42.19,1289 106,1290 105,1291 0.195,1292 173.466,1293 300.22,1294 415.017,1295 12488,1296 2.6,1297 17.811,1298 0.712,1299 0.579,1300 18.811,1301 14.473,1302 12.025,1303 0.445,1304 0.3,1305 7.246,1306 10.98,1307 7.068,1308 5.831,1309 12.602,1310 8.097,1311 10.974,1312 0.297,1313 0.165,1314 11.791,1315 6.091,1316 8.695,1317 0.189,1318 0.085,1319 9.219,1320 3.898,1321 6.822,1322 0.12,1323 0.046,1324 7.291,1325 2.598,1326 5.746,1327 0.078,1328 0.025,1329 6.231,1330 1.835,1331 0.316,1332 84.069,1333 0.237,1334 24.842,1335 0.509,1336 128,1337 451.715,1338 207.387,1339 469.559,1340 615.55,1341 434,1342 147,1343 416.347,1344 188.091,1345 431.607,1346 622.41,1347 405,1348 4.097}
{0 CHEMBL54748,1 1.262,2 9.862,3 6.89,4 47.479,5 117.995,6 6.327,7 0.2,8 4.174,9 4.295,10 3.571,11 3.714,12 5.186,13 3.649,14 4.744,15 4.939,16 3.882,17 4.093,18 5.686,19 3.989,20 5.048,21 5.289,22 4.062,23 4.237,24 5.978,25 4.135,26 5.119,27 5.323,28 4.163,29 4.271,30 6.271,31 4.195,32 5.168,33 5.361,34 4.222,35 4.355,36 6.249,37 4.285,38 5.265,39 5.448,40 4.275,41 4.436,42 6.486,43 4.356,44 5.351,45 5.567,46 4.129,47 4.481,48 6.374,49 4.352,50 5.353,51 5.612,52 3.956,53 4.444,54 6.286,55 4.26,56 0.054,57 0.793,58 14.773,59 6.82,60 9.579,61 9.034,62 0.217,63 1.293,64 26.303,65 11.213,66 27.234,67 15.359,68 0.233,69 1.618,70 35.924,71 13.951,72 36.725,73 19.35,74 0.767,75 1.665,76 40.195,77 14.053,78 108.112,79 18.988,80 0.492,81 1.782,82 41.953,83 14.983,84 72.24,85 20.022,86 0.789,87 1.95,88 46.67,89 16.374,90 143.196,91 21.846,92 0.682,93 2.109,94 50.042,95 17.936,96 107.33,97 24.38,98 0.456,99 2.135,100 48.661,101 18.578,102 92.242,103 26.16,105 64,106 39,107 0.205,108 0.486,109 0.658,110 0.756,111 0.8,112 0.837,113 3.409,114 1.101,115 -5.77,116 -5.63,117 -5.25,120 39.7,121 3,122 9,123 1,136 2,138 2,140 5,141 1,152 1,153 1,165 18,167 1,168 6,173 2,176 18,182 7,187 2,190 16,194 1,195 11,198 2,200 3,203 16,207 11,212 3,215 19,219 1,220 12,223 1,225 4,227 25,231 7,236 3,239 26,245 6,250 3,253 25,258 2,263 1,266 20,270 1486,271 19.734,272 19.734,273 19.734,274 19.734,275 19.734,276 18.24,277 11.666,278 12.369,279 19.82,280 14.681,281 14.681,282 14.681,283 14.681,284 14.681,285 12.315,286 8.538,287 5.692,288 14.814,289 4.715,290 2.988,291 1.932,292 1.326,293 1.056,294 0.83,295 4.073,302 1,303 574,304 4.243,307 219.551,313 1.463,314 38.888,317 0.75,318 0.67,319 0.83,320 1,321 1,322 0.83,323 0.5,324 0.8,325 62,326 286,327 4.603,328 3.904,329 6.907,330 4.248,331 3.269,332 4.09,333 1.757,334 11.537,335 3.203,336 4.237,337 3.697,338 6.469,339 3.933,340 2.923,341 3.711,342 1.446,343 9.883,344 2.939,345 3.859,346 3.109,347 5.935,348 3.474,349 2.474,350 3.196,351 0.553,352 8.122,353 2.467,354 3.446,355 2.74,356 5.443,357 3.171,358 2.187,359 2.643,361 6.64,362 2.149,363 3.218,364 2.213,365 4.833,366 2.778,367 1.814,368 2.348,370 4.999,371 1.728,372 2.837,373 2.071,374 4.023,375 2.6,376 1.591,377 1.885,379 3.392,380 1.602,381 2.549,382 1.688,383 3.748,384 2.51,385 1.52,386 1.541,388 2.986,389 1.502,390 2.543,391 1.643,392 3.726,393 2.491,394 1.493,395 1.533,397 2.967,398 1.486,399 2.5,400 1.324,401 3.446,402 2.199,403 1.204,404 1.5,406 2.495,407 1.195,408 2.497,409 1.274,410 3.258,411 2,412 1,413 1.446,415 2.136,416 1,417 2.086,418 1.227,419 3.247,420 1.786,421 0.746,422 0.924,424 1.631,425 0.768,426 1.731,427 1,428 3.042,429 1.577,430 0.6,431 0.624,433 1.116,434 0.579,435 1.602,436 0.999,437 2.936,438 1.526,439 0.532,440 0.566,442 0.988,443 0.527,444 1.094,445 0.426,446 2.419,447 0.953,448 -0.055,449 -0.058,451 -0.088,452 -0.055,453 1,454 0.17,455 2.268,456 0.782,457 -0.18,458 -0.19,460 -0.333,461 -0.167,462 13.833,463 0.477,464 0.542,465 0.019,466 28.25,467 0.974,468 12,469 0.414,470 16.25,471 0.56,472 34.776,473 1.199,474 33.567,475 0.533,476 22.126,477 0.763,478 4.805,479 0.166,480 9.239,481 0.319,482 0.181,484 0.289,490 0.719,491 1.221,492 0.971,493 1.211,494 0.649,495 1.137,496 0.526,497 1.188,498 0.906,499 1.181,500 0.502,501 1.106,502 0.812,503 1.017,504 0.751,505 0.99,506 0.76,507 0.879,508 1.449,509 0.96,510 1.005,511 0.942,512 1.367,513 0.917,514 1.734,515 1.036,516 1.101,517 1.011,518 1.615,519 0.975,520 1.765,521 1.1,522 1.241,523 1.087,524 1.599,525 1.092,526 1.708,527 1.038,528 1.311,529 1.043,530 1.584,531 1.112,532 0.953,533 1.123,534 1.119,535 1.13,536 1.104,537 1.145,538 4,539 0.058,540 3.333,541 2.5,542 2.107,543 1.458,544 0.894,545 0.651,546 0.308,547 0.182,548 8334,549 18125,550 1.938,551 54,552 27,553 5,556 1,557 1,560 1.732,561 1.794,562 3.212,563 -0.439,569 79.498,570 1.262,571 2.989,572 4.045,573 4.651,574 4.921,575 5.148,576 2.738,577 4.513,578 4.822,579 3.384,580 1373.77,581 8.473,582 18334.9,587 376.569,588 1.475,589 4.773,590 0.133,591 0.004,592 0.085,593 0.054,594 0.043,595 0.028,596 0.017,597 0.014,598 0.008,599 0.008,600 0.394,601 0.17,602 0.75,603 1.654,604 144.442,605 -0.022,606 0.01,607 0.016,608 0.012,609 -0.028,610 0.018,611 0.159,612 -0.077,613 0.058,614 -0.07,615 0.088,616 -0.026,617 0.079,618 0.001,619 0.229,620 0.029,621 0.058,622 0.133,623 0.136,624 0.054,625 0.073,626 0.053,627 0.068,628 0.054,629 -0.151,631 -0.02,632 0.005,633 -0.14,634 0.01,635 -0.063,636 -0.062,637 -0.144,638 -0.073,639 0.04,640 -0.114,641 -0.25,642 -0.028,643 -0.256,644 -0.049,645 -0.187,646 -0.14,647 -0.074,648 -0.136,649 -0.151,650 -0.141,651 -0.045,652 -0.154,653 2.173,654 6.313,655 0.414,656 27.524,657 0.989,658 1.125,659 4.536,660 20.573,661 0.631,662 3.434,663 3.689,664 3.97,665 4.22,666 4.454,667 4.543,668 4.585,669 4.605,670 4.522,671 4.382,672 5.962,673 0.584,674 398.59,675 3.434,676 4.934,677 5.771,678 6.637,679 7.51,680 8.396,681 9.283,682 10.178,683 11.072,684 11.971,699 5,704 1,706 6,708 1,720 63,723 10,724 1,725 30,727 64,728 25,729 6,730 1,731 5,732 6,735 2,736 2,741 3,748 9,749 12,750 13,751 1,754 4,759 2,763 6,768 34,769 4,770 1,771 4,780 1,781 4,789 2,803 1,805 2,806 2,811 1,813 2,817 3,821 29,827 1,828 9,830 1,833 1,840 6.3,842 1,843 2,845 1,847 16.167,848 11.95,849 6.944,850 4.724,851 1.596,852 1.233,853 0.902,854 9.503,855 8.435,856 3.638,857 4.103,858 4.613,859 5.073,860 5.505,861 5.653,862 5.837,863 5.987,864 6.107,865 6.238,866 0.857,867 46,868 10.924,870 4.558,871 7.776,872 20.992,874 16.871,877 2.276,878 66,882 388.446,883 123.793,886 103.973,889 123.793,890 492.419,892 26.476,893 22.811,894 47.381,895 110.541,896 20.557,898 388.446,900 388.446,901 123.793,902 103.973,905 388.446,906 103.973,909 49.286,910 69.263,911 5.243,913 388.446,914 103.973,915 123.793,918 388.446,919 49.936,920 73.857,922 103.973,923 388.446,924 103.973,925 123.793,927 0.548,928 0.328,929 0.187,930 0.115,931 14,932 8,933 0.188,934 12,936 1,937 3.766,938 246.529,940 12,941 136.881,945 23.255,946 11.85,947 5.978,949 103.973,950 9.132,955 0.604,957 42.683,958 616.212,959 37,964 26.005,968 0.837,969 62.33,970 70.896,971 0.211,972 0.5,973 0.677,974 0.778,975 0.823,976 0.861,977 4.856,978 1.493,979 5.733,980 2.986,981 4.369,982 4.787,983 2.482,984 6.558,985 4.349,986 6.022,987 1.204,988 7.302,989 2.967,990 3.892,991 4.527,993 7.548,994 3.862,995 7.319,996 1,997 8.987,998 2.495,999 5.948,1000 6.864,1001 3.367,1002 10.714,1003 5.905,1004 8.662,1005 0.746,1006 10.743,1007 2.136,1008 6.382,1009 7.478,1011 12.552,1012 6.328,1013 10.046,1014 0.6,1015 12.543,1016 1.631,1017 7.87,1018 9.279,1019 4.359,1020 15.238,1021 7.803,1022 11.458,1023 0.532,1024 14.371,1025 1.116,1026 8.715,1027 10.276,1029 17.404,1030 8.633,1031 12.892,1032 -0.055,1033 16.219,1034 0.988,1035 9.99,1036 11.86,1037 5.398,1038 19.927,1039 9.893,1040 3.269,1041 -0.18,1042 18.08,1043 -0.088,1044 11.016,1045 13.043,1047 22.235,1048 10.902,1049 2.923,1050 11.537,1051 19.952,1052 -0.333,1053 12.214,1054 14.528,1055 6.465,1056 24.699,1057 12.082,1058 2.474,1059 9.883,1060 21.831,1061 4.09,1062 13.318,1063 15.807,1065 27.073,1066 13.167,1067 2.187,1068 8.122,1069 23.716,1070 3.711,1071 14.491,1072 17.244,1073 7.55,1074 29.516,1075 14.32,1076 1.814,1077 6.64,1078 25.607,1079 3.196,1080 15.631,1081 18.574,1083 31.921,1084 15.439,1085 1.591,1086 4.999,1087 27.502,1088 2.643,1089 16.797,1090 19.989,1091 8.648,1092 34.358,1093 16.585,1094 1.52,1095 3.392,1096 29.4,1097 2.348,1098 17.953,1099 21.348,1101 36.779,1102 17.719,1103 8676,1104 12977,1105 19.186,1106 39.762,1107 43.35,1108 45.205,1109 46.428,1110 42.76,1111 42.706,1112 52.014,1113 7.511,1114 117.782,1115 42.287,1116 5.557,1117 5.904,1118 6.766,1119 5.34,1120 5.269,1121 7.09,1122 3.514,1123 19.246,1124 5.203,1125 16.947,1126 1.445,1127 1.507,1128 1.548,1129 1.425,1130 1.424,1131 1.734,1132 0.25,1133 3.926,1134 1.41,1135 4.01,1136 4.027,1137 3.958,1138 3.921,1139 7.434,1140 3.925,1141 3.874,1142 3.897,1143 3.814,1144 3.793,1145 7.425,1146 3.795,1147 3.698,1148 3.759,1149 3.554,1150 3.584,1151 6.466,1152 3.568,1153 3.652,1154 3.723,1155 3.47,1156 3.524,1157 4.731,1158 3.501,1159 3.558,1160 3.618,1161 3.381,1162 3.404,1163 4.582,1164 3.389,1165 3.397,1166 3.445,1167 3.262,1168 3.246,1169 4.158,1170 3.241,1171 3.186,1172 3.266,1173 3.021,1174 3.022,1175 4.143,1176 3.006,1177 3.036,1178 3.103,1179 2.899,1180 2.85,1181 4.132,1182 2.837,1183 0.153,1184 0.13,1185 0.23,1186 0.142,1187 0.109,1188 4.603,1189 0.136,1190 3.904,1191 0.059,1192 6.907,1193 0.385,1194 4.248,1195 0.107,1196 3.269,1197 4.09,1198 1.757,1199 11.537,1200 3.203,1201 1.949,1202 1.931,1203 2.073,1204 2.058,1205 1.385,1206 2.059,1207 1.861,1208 1.838,1209 2.012,1210 1.969,1211 1.298,1212 1.981,1213 1.721,1214 1.664,1215 1.972,1216 1.877,1217 1.261,1218 1.913,1219 1.683,1220 1.616,1221 1.961,1222 1.854,1223 1.094,1224 1.895,1225 1.55,1226 1.491,1227 1.789,1228 1.743,1229 0.989,1230 1.762,1231 1.386,1232 1.335,1233 1.649,1234 1.576,1235 0.858,1236 1.599,1237 1.21,1238 1.132,1239 1.561,1240 1.431,1241 0.762,1242 1.479,1243 1.024,1244 0.959,1245 1.365,1246 1.294,1247 0.524,1248 1.32,1249 4.111,1251 5.38,1253 6.868,1255 8.472,1257 10.142,1259 6.2,1264 10.959,1265 7.035,1267 5.78,1270 -0.553,1273 36.815,1274 79.498,1275 188.337,1276 254.862,1277 293.02,1278 310.039,1279 324.304,1280 107.918,1281 6.839,1282 67.51,1283 67.51,1284 12,1285 12.495,1286 3.459,1287 3,1288 64.635,1289 98,1290 125,1291 0.316,1292 231.285,1293 422.12,1294 556.096,1295 6720,1297 21.225,1298 0.732,1299 0.621,1300 21.225,1301 18,1302 14.044,1303 0.468,1304 0.367,1305 10.944,1306 13.737,1307 10.61,1308 8.986,1309 14.044,1310 11.015,1311 11.411,1312 0.293,1313 0.197,1314 11.411,1315 7.692,1316 9.567,1317 0.184,1318 0.104,1319 9.567,1320 5.416,1321 7.717,1322 0.115,1323 0.055,1324 7.717,1325 3.662,1326 6.205,1327 0.073,1328 0.031,1329 6.205,1330 2.653,1331 0.477,1332 86.815,1333 0.228,1334 26.954,1335 0.933,1336 138,1337 381.356,1338 148.739,1339 364.059,1340 487.45,1341 338,1342 160,1343 349.576,1344 171.296,1345 351.285,1346 517.78,1347 332,1348 4.1}
{0 CHEMBL75703,1 1.542,2 5.643,3 1.846,4 3.407,5 62.042,6 13.048,7 0.4,8 3.237,9 3.311,10 3.308,11 2.987,12 4.38,13 2.896,14 3.735,15 3.84,16 3.558,17 3.34,18 4.904,19 3.226,20 3.969,21 4.136,22 3.809,23 3.391,24 5.021,25 3.255,26 3.86,27 4.043,28 3.911,29 3.455,30 4.917,31 3.198,32 3.813,33 4.014,34 3.933,35 3.283,36 4.974,37 3.018,38 3.451,39 3.66,40 3.442,41 2.905,42 4.63,43 2.566,44 2.732,45 2.956,46 2.727,47 2.203,48 3.925,49 1.751,50 1.408,51 1.617,52 0.697,53 0.906,54 2.409,55 0.515,56 0.01,57 0.247,58 1.745,59 1.86,60 3.588,61 2.326,62 0.123,63 0.426,64 13.134,65 4.038,66 16.678,67 4.328,68 0.165,69 0.563,70 12.635,71 5.636,72 25.943,73 5.259,74 0.067,75 0.529,76 21.296,77 6.148,78 15.842,79 6.14,80 0.12,81 0.521,82 35.273,83 7.594,84 21.287,85 5.865,86 0.122,87 0.365,88 29.604,89 5.706,90 20.183,91 4.153,92 0.082,93 0.184,94 24.861,95 3.778,96 14.303,97 2.226,98 0.025,99 0.044,100 10.753,101 1.256,102 5.069,103 0.592,105 6,106 20,107 0.317,108 0.646,109 0.749,110 0.817,111 0.842,112 0.842,113 2.735,114 1.123,115 -3.98,116 -3.93,117 -3.73,120 47.8,122 1,123 1,137 1,138 1,140 5,141 1,153 1,165 8,167 1,168 3,176 9,182 3,190 8,195 3,203 5,207 5,215 3,220 3,227 2,231 1,239 1,270 182,271 9.577,272 9.577,273 9.577,274 9.577,275 9.577,276 8.273,277 8.408,278 5.78,279 9.797,280 7.359,281 7.359,282 7.359,283 7.359,284 7.359,285 5.665,286 10.335,287 2.669,288 7.779,289 2.982,290 1.386,291 0.885,292 0.555,293 0.435,294 0.435,295 3.376,301 1,302 1,303 163,304 1.732,306 35.753,307 40.884,313 0.837,314 11.526,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 29.4,326 79,327 4.298,328 3.833,329 6.539,330 4.048,331 3.076,332 3.68,333 2.455,334 10.34,335 2.989,336 3.747,337 3.209,338 5.324,339 3.316,340 2.341,341 3.148,342 1.042,343 6.68,344 2.266,345 3.342,346 2.481,347 4.747,348 2.846,349 1.865,350 2.489,351 0.149,352 5.052,353 1.795,354 2.948,355 1.753,356 4.096,357 2.483,358 1.526,359 2.097,361 3.533,362 1.422,363 2.5,364 1.456,365 3.459,366 2,367 1,368 1.5,370 2.303,371 1,372 2.161,373 1.071,374 3.247,375 1.839,376 0.88,377 1.06,379 2.136,380 0.815,381 1.428,382 1,383 2.729,384 0.883,385 0.336,386 0.35,388 0.497,389 0.061,390 0.836,391 0.733,392 2.262,393 0.439,394 -0.596,395 -0.754,397 -1.385,398 -0.526,399 0.641,400 -0.237,401 2,402 0.171,403 -0.783,404 -1.053,406 -1.757,407 -0.669,408 0.5,409 -0.846,410 1.555,412 -1,413 -1.47,415 -2.347,416 -1,417 0.18,418 -1,419 1.301,420 -0.371,421 -1.167,422 -1.5,424 -2.859,425 -1.039,426 -0.475,427 -1.022,428 1.068,429 -0.764,430 -1.706,431 -2,433 -4.789,434 -1.442,435 -0.5,436 -1.423,437 1,438 -0.943,439 -1.826,440 -2.168,441 -0.716,442 -4.914,443 -1.777,444 -0.716,445 -1.558,446 0.476,447 -1,448 -1.946,449 -2.38,450 -1.153,451 -5.707,452 -1.893,453 -0.889,454 -2,455 0.198,456 -1.046,457 -2,458 -3,459 -1.777,460 -6.783,461 -2,462 7.81,463 0.558,464 0.277,465 0.02,466 16.75,467 1.196,468 8.5,469 0.607,470 8.25,471 0.589,472 10.601,473 0.757,474 13.79,475 0.6,476 8.149,477 0.582,478 3.049,479 0.218,480 3.759,481 0.269,482 0.253,484 0.256,490 0.661,491 0.899,492 0.46,493 0.536,494 0.534,495 0.72,496 0.557,497 1.064,498 0.602,499 0.73,500 0.515,501 0.962,502 1.224,503 0.904,504 0.444,505 0.588,506 1.067,507 0.865,508 0.63,509 1.065,510 0.956,511 0.939,512 0.724,513 1.024,514 1.064,515 1.038,516 1.278,517 1.253,518 0.971,519 1.043,520 1.442,521 1,522 1.545,523 1.371,524 1.481,525 1.12,526 1.845,527 0.983,528 2.525,529 2.134,530 2.336,531 1.384,532 2.305,533 1.071,534 4.122,535 3.565,536 3.753,537 2.043,538 2.5,540 1.333,541 1.132,542 0.646,543 0.257,544 0.122,545 0.056,548 1220,549 4517,550 2.034,551 39.1,553 5,554 1,557 2,558 1,560 1.513,561 1.909,562 2.592,563 -0.766,567 1,568 1,569 35.459,570 1.542,571 3.138,572 3.638,573 3.969,574 4.089,575 4.089,576 1.924,577 3.379,578 3.78,579 2.619,580 238.352,581 6.321,582 1858.32,584 1,587 104.042,588 1.379,589 3.74,590 0.167,592 0.067,593 0.063,594 0.04,595 0.02,596 0.017,597 0.028,600 0.402,601 0.83,602 1,603 0.945,604 52.057,605 -0.008,606 -0.039,608 -0.009,609 -0.021,611 0.251,612 -0.181,613 -0.045,614 -0.112,615 0.112,616 -0.182,617 -0.175,618 0.017,619 0.036,620 0.009,621 -0.163,622 -0.023,623 0.018,624 -0.122,625 -0.016,626 0.001,627 0.01,628 -0.046,629 -0.045,630 -0.043,631 -0.04,632 -0.068,633 0.048,634 0.025,635 -0.177,636 0.031,637 -0.107,638 -0.015,639 -0.104,641 -0.316,642 0.141,643 -0.27,644 -0.139,645 -0.305,646 -0.054,647 -0.529,648 0.179,649 -0.676,650 -0.651,651 -0.797,652 -0.417,653 1.804,654 4.13,655 0.786,656 6.857,657 1.006,658 1.096,659 2.753,660 7.576,661 0.799,662 2.773,663 3.045,664 3.296,665 3.555,666 3.638,667 3.434,668 3.332,669 3.219,670 2.944,671 2.398,672 3.613,673 0.712,674 300.1,675 2.773,676 4.263,677 5.094,678 5.958,679 6.815,680 7.686,681 8.55,682 9.422,683 10.289,684 11.161,699 5,704 1,706 6,720 23,723 8,724 1,725 15,727 24,728 11,729 6,730 1,731 5,735 2,736 2,745 1,746 1,748 1,749 9,750 2,751 1,754 2,759 1,761 1,763 2,765 1,768 9,769 2,771 3,772 1,773 1,780 1,781 2,788 1,789 1,796 1,803 1,804 1,805 1,813 2,820 1,821 14,828 1,830 1,833 1,839 1,840 8.7,843 1,845 1,847 7.333,848 4.06,849 3.222,850 1.325,851 1.413,852 1.254,853 0.977,854 2.982,855 6.981,856 3.045,857 3.541,858 3.966,859 4.456,860 4.869,861 4.722,862 4.93,863 5.103,864 5.044,865 4.559,866 0.75,867 18,868 5.162,869 0.002,870 2.143,871 7.818,872 9.848,873 0.001,874 7.931,875 -0.001,877 2.318,878 32.453,879 0.006,882 105.94,883 130.268,886 36.145,888 56.782,889 73.486,890 142.085,893 10.485,894 47.381,895 37.58,896 14.185,897 11.771,898 150.951,900 105.94,901 73.486,902 36.145,904 56.782,905 94.169,906 47.916,909 2.535,910 65.708,911 5.243,912 56.782,913 105.94,914 36.145,915 73.486,916 56.782,918 105.94,919 18.155,920 112.114,922 36.145,923 105.94,924 36.145,925 73.486,926 56.782,927 0.562,928 0.337,929 0.197,930 0.107,931 10,932 4,933 0.042,934 1,936 1,937 2.626,938 87.001,940 11,941 49.303,945 9.864,946 4.233,947 2.065,949 36.145,950 9.958,955 1.14,958 272.353,959 20,964 11.13,966 1.834,968 0.628,969 23.142,970 25.215,971 0.341,972 0.694,973 0.804,974 0.877,975 0.904,976 0.904,977 4.241,978 -0.596,979 5.056,980 0.497,981 3.714,982 4.22,983 2.575,984 5.844,985 3.627,986 5.413,987 -0.783,988 6.594,989 -1.385,990 3.219,991 3.795,992 2.243,993 6.72,994 3.16,995 6.693,996 -1,997 8.239,998 -1.757,999 5.263,1000 6.233,1001 3.922,1002 9.835,1003 5.128,1004 8.005,1005 -1.167,1006 9.948,1007 -2.347,1008 5.638,1009 6.573,1010 4.269,1011 11.603,1012 5.49,1013 9.348,1014 -1.706,1015 11.7,1016 -2.859,1017 7.133,1018 8.496,1019 5.542,1020 14.213,1021 6.951,1022 10.712,1023 -1.826,1024 13.483,1025 -4.789,1026 7.918,1027 9.21,1028 6.176,1029 16.328,1030 7.707,1031 12.093,1032 -1.946,1033 15.288,1034 -4.914,1035 9.186,1036 10.889,1037 7.261,1038 18.767,1039 8.952,1040 3.076,1041 -2,1042 17.11,1043 -5.707,1044 10.16,1045 11.813,1046 8.027,1047 21.016,1048 9.893,1049 2.341,1050 10.34,1051 18.944,1052 -6.783,1053 11.337,1054 13.354,1055 9.021,1056 23.392,1057 11.047,1058 1.865,1059 6.68,1060 20.787,1061 3.68,1062 12.394,1063 14.407,1064 9.85,1065 25.693,1066 12.072,1067 1.526,1068 5.052,1069 22.638,1070 3.148,1071 13.536,1072 15.865,1073 10.798,1074 28.045,1075 13.189,1076 1,1077 3.533,1078 24.495,1079 2.489,1080 14.63,1081 17,1082 11.66,1083 30.367,1084 14.252,1085 0.88,1086 2.303,1087 26.356,1088 2.097,1089 15.759,1090 18.405,1091 12.584,1092 32.71,1093 15.354,1094 0.336,1095 2.136,1096 28.22,1097 1.5,1098 16.869,1099 19.594,1100 13.464,1101 35.04,1102 16.434,1103 1283,1104 2535,1105 9.94,1106 18.375,1107 22.181,1108 23.125,1109 22.948,1110 21.942,1111 22.048,1112 28.65,1113 7.292,1114 61.081,1115 20.694,1116 5.187,1117 5.833,1118 6.341,1119 5.094,1120 5.076,1121 6.68,1122 4.232,1123 17.123,1124 4.989,1125 5.841,1126 1.479,1127 1.542,1128 1.53,1129 1.463,1130 1.47,1131 1.91,1132 0.486,1133 4.072,1134 1.38,1135 3.975,1136 3.996,1137 10.695,1138 3.964,1139 7.432,1140 3.904,1141 3.694,1142 3.711,1143 3.898,1144 3.77,1145 4.779,1146 3.585,1147 3.125,1148 3.148,1149 3.6,1150 3.39,1151 4.57,1152 3.063,1153 2.902,1154 2.934,1155 2.91,1156 2.769,1157 3.682,1158 2.767,1159 2.854,1160 2.925,1161 2.693,1162 2.735,1163 3.674,1164 2.715,1165 2.482,1166 2.534,1167 2.687,1168 2.389,1169 3.657,1170 2.207,1171 2.04,1172 2.151,1173 2.281,1174 2.151,1175 3.223,1176 1.881,1177 1.624,1178 1.802,1179 1.493,1180 1.484,1181 2.442,1182 1.272,1183 0.287,1184 0.256,1185 0.436,1186 0.27,1187 0.205,1188 4.298,1189 0.245,1190 3.833,1191 0.164,1192 6.539,1193 0.689,1194 4.048,1195 0.199,1196 3.076,1197 3.68,1198 2.455,1199 10.34,1200 2.989,1201 1.928,1202 1.902,1203 2.047,1204 2,1205 1.256,1206 2.019,1207 1.522,1208 1.489,1209 1.69,1210 1.648,1211 0.9,1212 1.663,1213 1.34,1214 1.338,1215 1.392,1216 1.554,1217 0.539,1218 1.526,1219 0.886,1220 0.821,1221 1.181,1222 1.062,1223 0.218,1224 1.107,1225 0.824,1226 0.784,1227 1.04,1228 0.956,1229 0.176,1230 1.005,1231 0.417,1232 0.377,1233 0.662,1234 0.711,1236 0.726,1239 0.438,1240 0.342,1242 0.41,1245 0.381,1246 0.133,1248 0.23,1249 3.434,1251 4.71,1252 2.398,1253 6.188,1254 4.727,1255 7.756,1256 6.804,1257 9.371,1262 2.102,1265 0.457,1267 5.092,1270 0.112,1273 16.38,1274 35.459,1275 72.168,1276 83.677,1277 91.287,1278 94.042,1279 94.042,1280 18.768,1281 5.568,1282 26.3,1283 26.3,1284 11,1285 11.704,1286 3.17,1287 2.585,1288 21.182,1289 29,1290 26,1291 0.376,1292 112.44,1293 192.9,1294 266.113,1295 1345,1296 4.3,1297 9.966,1298 0.712,1299 0.686,1300 11.466,1301 9.601,1302 6.809,1303 0.454,1304 0.374,1305 4.404,1306 5.978,1307 4.236,1308 3.487,1309 7.87,1310 5.615,1311 5.807,1312 0.29,1313 0.189,1314 6.419,1315 3.776,1316 4.765,1317 0.183,1318 0.11,1319 5.551,1320 2.869,1321 4.054,1322 0.119,1323 0.063,1324 4.758,1325 2.138,1326 3.117,1327 0.084,1328 0.038,1329 3.977,1330 1.404,1331 0.546,1332 58.864,1333 0.317,1334 13.95,1335 1.16,1336 70,1337 225.12,1338 206.309,1339 253.987,1340 327.06,1341 236,1342 81,1343 204.391,1344 128.091,1345 216.426,1346 312.49,1347 203,1348 4.31}
{0 CHEMBL76522,1 1.78,2 13.295,3 2.211,4 4.888,5 158.693,6 8.544,7 0.354,8 4.42,9 4.508,10 4.114,11 3.903,12 5.641,13 3.918,14 4.946,15 5.079,16 4.489,17 4.257,18 6.205,19 4.266,20 5.108,21 5.228,22 4.628,23 4.429,24 6.369,25 4.41,26 5.309,27 5.474,28 4.678,29 4.452,30 6.586,31 4.447,32 5.317,33 5.458,34 4.728,35 4.414,36 6.793,37 4.431,38 5.276,39 5.45,40 4.604,41 4.431,42 6.506,43 4.416,44 5.305,45 5.458,46 4.702,47 4.472,48 6.591,49 4.483,50 5.347,51 5.494,52 4.692,53 4.531,54 6.666,55 4.519,56 0.297,57 1.075,58 12.376,59 6.77,60 24.282,61 7.239,62 1.089,63 1.661,64 29.903,65 10.671,66 86.813,67 11.936,68 1.148,69 1.929,70 30.632,71 13.441,72 88.53,73 14.902,74 1.525,75 2.195,76 49.131,77 15.523,78 136.165,79 17.326,80 2.095,81 2.087,82 46.779,83 14.612,84 230.444,85 15.429,86 1.65,87 2.09,88 45.478,89 15.109,90 159.975,91 17.494,92 1.651,93 2.167,94 44.895,95 15.013,96 142.11,97 16.921,98 1.696,99 2.257,100 44.269,101 16.001,102 167.251,103 17.305,105 75,106 69,107 0.274,108 0.641,109 0.815,110 0.891,111 0.905,112 0.905,113 3.81,114 0.894,115 -4.38,116 -4.31,117 -4.06,120 39.7,121 1,125 2,126 4,129 1,131 1,136 1,138 1,140 8,141 3,142 1,153 4,155 1,157 1,161 1,162 1,164 1,165 11,167 5,168 8,169 1,171 3,173 1,176 13,181 6,182 8,185 4,187 1,190 7,194 3,195 12,196 2,198 1,200 2,203 1,204 1,206 9,207 15,210 2,212 3,215 1,219 7,220 10,223 2,227 2,228 1,230 9,231 16,236 2,239 4,244 6,245 12,246 2,250 1,253 5,257 5,258 12,259 2,261 4,263 2,266 5,270 4924,271 29.6,272 29.6,273 29.6,274 29.6,275 29.6,276 26.684,277 33.622,278 17.096,279 30.584,280 23.477,281 23.477,282 23.477,283 23.477,284 23.477,285 18.867,286 36.944,287 7.834,288 24.885,289 4.41,290 2.022,291 0.891,292 0.398,293 0.305,294 0.305,295 4.505,303 1247,304 5.05,305 90.741,306 131.98,307 448.329,309 185.624,313 2.146,314 74.762,317 0.5,318 0.5,319 0.5,320 0.8,321 1,322 0.33,324 0.52,325 99.5,326 585,327 4.874,328 4.474,329 8.132,330 4.731,331 3.794,332 4.079,333 3.287,334 15.914,335 3.55,336 4.355,337 4.418,338 6.779,339 3.999,340 3.029,341 3.928,342 2.374,343 11.012,344 2.945,345 4.275,346 3.728,347 6.44,348 3.906,349 2.933,350 3.853,351 2.169,352 9.877,353 2.848,354 4.226,355 3.619,356 6.168,357 3.77,358 2.875,359 3.654,360 1.727,361 9.149,362 2.634,363 4.04,364 3.574,365 5.629,366 3.644,367 2.65,368 3.604,369 1.32,370 7.455,371 2.565,372 3.498,373 3.175,374 5.504,375 3.128,376 2.168,377 2.672,378 1.154,379 6.883,380 2.055,381 3.434,382 2.92,383 5.374,384 3.078,385 2.119,386 2.652,387 0.964,388 5.958,389 2.019,390 3.396,391 2.863,392 5.075,393 3.05,394 2.077,395 2.587,396 0.86,397 5.492,398 2.005,399 3.25,400 2.814,401 5.026,402 2.925,403 1.942,404 2.404,405 0.676,406 5.305,407 1.901,408 3.031,409 2.748,410 4.751,411 2.756,412 1.819,413 2.087,414 0.636,415 5.278,416 1.685,417 2.917,418 2.321,419 4.731,420 2.543,421 1.615,422 2.054,423 0.326,424 4.951,425 1.473,426 2.827,427 2.271,428 4.155,429 2.461,430 1.492,431 1.83,432 0.159,433 3.617,434 1.437,435 2.69,436 1.97,437 4.09,438 2.232,439 1.372,440 1.751,441 0.045,442 3.233,443 1.205,444 2.67,445 1.932,446 3.911,447 2.202,448 1.209,449 1.712,451 2.758,452 1.155,453 2.561,454 1.748,455 3.607,456 2.064,457 1.116,458 1.571,460 2.604,461 1.05,462 20.333,463 0.462,464 1.166,465 0.027,466 54.25,467 1.233,468 24.5,469 0.557,470 29.75,471 0.676,472 44.802,473 1.018,474 48.667,475 0.667,476 54.852,477 1.247,478 11.41,479 0.259,480 9.768,481 0.222,482 0.156,483 0.025,484 0.334,490 0.803,491 1.359,492 0.689,493 1.109,494 0.634,495 0.951,496 0.928,497 0.991,498 0.9,499 0.93,500 0.596,501 0.81,502 0.815,503 1.181,504 0.911,505 1.147,506 0.9,507 1.118,508 1.109,509 1.142,510 1.123,511 1.179,512 1.032,513 0.988,514 1.27,515 1.029,516 1.019,517 1.014,518 1.322,519 0.977,520 1.013,521 0.908,522 0.936,523 0.919,524 1.154,525 0.893,526 1.121,527 1.033,528 0.933,529 0.985,530 1.088,531 0.912,532 1.252,533 1.058,534 1.06,535 0.998,536 1.075,537 1.03,538 9.5,539 0.47,540 5.889,541 4.882,542 3.2,543 2.295,544 1.322,545 1.076,546 0.895,547 0.715,548 31553,549 104317,550 2.038,551 39.7,552 3,553 22,554 1,555 1,556 2,560 1.831,561 1.879,562 3.682,563 0.216,569 129.955,570 1.78,571 4.168,572 5.299,573 5.792,574 5.885,575 5.885,576 3.127,577 5.323,578 5.425,579 3.931,580 3718.43,581 9.662,582 68640.9,587 451.857,588 1.606,589 5.371,590 0.198,591 0.007,592 0.088,593 0.067,594 0.043,595 0.031,596 0.018,597 0.013,598 0.011,599 0.01,600 0.487,601 0.17,602 0.5,603 0.959,604 253.128,605 -0.073,606 -0.176,607 0.053,608 -0.072,609 -0.063,610 -0.02,611 0.043,612 0.113,613 0.06,614 0.108,615 0.067,616 0.127,617 0.108,618 -0.095,619 -0.015,620 -0.106,621 -0.046,622 -0.169,623 -0.06,624 -0.107,625 -0.022,626 -0.122,627 -0.025,628 -0.023,629 0.021,630 -0.032,631 0.006,632 -0.036,633 0.06,634 -0.07,635 0.022,636 0.087,637 0.049,638 0.06,639 -0.083,640 0.076,641 -0.022,642 -0.02,643 0.028,644 -0.01,645 -0.053,646 0.029,647 -0.142,648 -0.046,649 -0.119,650 -0.021,651 -0.034,652 -0.095,653 3.18,654 6.792,655 0.568,656 61.455,657 1.029,658 1.127,659 3.145,660 9.892,661 0.67,662 3.892,663 4.248,664 4.575,665 4.86,666 5.063,667 5.187,668 5.371,669 5.497,670 5.67,671 5.826,672 8.52,673 0.658,674 623.7,675 3.892,676 5.46,677 6.337,678 7.248,679 8.152,680 9.075,681 9.995,682 10.929,683 11.86,684 12.803,685 6.8,692 2,693 1,695 2,699 9,700 2,704 5,705 1,706 17,710 1,718 1,720 73,722 1,723 22,724 2,725 48,727 77,728 29,729 14,730 4,731 8,732 4,735 5,736 6,741 1,745 1,748 1,749 20,750 9,754 5,759 4,763 6,768 29,769 13,770 2,771 15,772 1,775 5,780 0.8,781 9,787 1,788 1,789 3,791 1,801 1,802 1,803 1,805 1,806 1,811 1,812 2,813 4,814 1,815 1,817 3,821 44,827 1,828 4,829 1,830 4,831 1,833 1,834 1,835 1,838 1,840 12.3,842 1,843 4,844 2,845 2,847 23.417,848 14.083,849 9.806,850 3.889,851 2.415,852 1.278,853 0.936,854 9.725,855 11.104,856 4.135,857 4.694,858 5.212,859 5.695,860 6.038,861 6.128,862 6.395,863 6.614,864 6.944,865 7.223,866 0.889,867 73,868 16.514,870 7.358,871 8.074,872 30.03,874 24.369,877 2.574,878 113.25,882 317.82,883 198.376,884 56.36,886 187.263,888 32.22,889 166.156,890 505.082,891 56.36,892 30.591,893 33.325,894 75.81,895 239.246,896 42.578,897 11.771,898 326.497,900 317.82,901 222.516,902 187.263,903 32.22,905 317.82,906 165.263,907 22,909 53.361,910 133.072,911 36.083,912 32.22,913 317.82,914 243.623,915 198.376,918 317.82,919 83.356,920 120.043,921 18.011,922 220.589,923 317.82,924 243.623,925 198.376,927 0.583,928 0.354,929 0.198,930 0.103,931 32,932 16,933 0.169,934 13,935 1,936 1.08,937 5.039,938 468.881,939 0.08,940 25,941 236.215,942 1,945 31.69,946 13.502,947 6.412,949 241.724,950 15.21,951 7.725,955 2.495,956 1.341,957 60.694,958 759.818,959 61.5,964 51.882,968 -2.919,969 75.134,970 82.279,971 0.288,972 0.673,973 0.856,974 0.936,975 0.951,976 0.951,977 5.408,978 2.077,979 6.358,980 5.958,981 4.934,982 5.382,983 4.04,984 7.266,985 4.825,986 6.622,987 1.942,988 7.982,989 5.492,990 4.691,991 5.247,992 2.716,993 8.578,994 4.554,995 7.955,996 1.819,997 9.725,998 5.305,999 6.648,1000 7.511,1001 5.811,1002 11.764,1003 6.435,1004 9.326,1005 1.615,1006 11.547,1007 5.278,1008 7.287,1009 8.182,1010 4.625,1011 14.032,1012 7.024,1013 10.736,1014 1.492,1015 13.426,1016 4.951,1017 8.753,1018 9.939,1019 7.977,1020 16.868,1021 8.425,1022 12.172,1023 1.372,1024 15.35,1025 3.617,1026 9.781,1027 10.965,1028 6.389,1029 19.472,1030 9.387,1031 13.629,1032 1.209,1033 17.309,1034 3.233,1035 11.105,1036 12.52,1037 10.276,1038 22.241,1039 10.646,1040 3.794,1041 1.116,1042 19.295,1043 2.758,1044 12.298,1045 13.713,1046 8.106,1047 24.953,1048 11.767,1049 3.029,1050 15.914,1051 21.304,1052 2.604,1053 13.593,1054 15.176,1055 12.622,1056 27.715,1057 12.994,1058 2.933,1059 11.012,1060 23.331,1061 4.079,1062 14.856,1063 16.452,1064 9.805,1065 30.462,1066 14.184,1067 2.875,1068 9.877,1069 25.372,1070 3.928,1071 16.156,1072 17.871,1073 14.987,1074 33.225,1075 15.413,1076 2.65,1077 9.149,1078 27.424,1079 3.853,1080 17.451,1081 19.19,1082 11.499,1083 35.984,1084 16.636,1085 2.168,1086 7.455,1087 29.485,1088 3.654,1089 18.761,1090 20.587,1091 17.359,1092 38.749,1093 17.874,1094 2.119,1095 6.883,1096 31.553,1097 3.604,1098 20.073,1099 21.931,1100 13.194,1101 41.513,1102 19.113,1103 30258,1104 55280,1105 31.323,1106 48.903,1107 72.996,1108 77.942,1109 77.526,1110 71.874,1111 72.101,1112 90.263,1113 31.398,1114 216.039,1115 68.073,1116 5.874,1117 6.474,1118 7.824,1119 5.889,1120 5.794,1121 7.079,1122 6.574,1123 24.961,1124 5.55,1125 26.161,1126 1.521,1127 1.624,1128 1.615,1129 1.497,1130 1.502,1131 1.88,1132 0.654,1133 4.501,1134 1.418,1135 4.042,1136 4.065,1137 4.089,1138 3.907,1139 7.475,1140 3.915,1141 3.925,1142 3.958,1143 3.953,1144 3.853,1145 7.437,1146 3.853,1147 3.905,1148 3.951,1149 3.86,1150 3.799,1151 7.429,1152 3.806,1153 3.888,1154 3.916,1155 3.849,1156 3.662,1157 7.423,1158 3.689,1159 3.596,1160 3.613,1161 3.591,1162 3.428,1163 6.351,1164 3.447,1165 3.393,1166 3.404,1167 3.426,1168 3.165,1169 5.069,1170 3.171,1171 3.347,1172 3.379,1173 3.276,1174 3.102,1175 4.851,1176 3.128,1177 3.249,1178 3.315,1179 3.212,1180 3.021,1181 4.775,1182 3.052,1183 0.102,1184 0.093,1185 0.169,1186 0.099,1187 0.079,1188 4.874,1189 0.085,1190 4.474,1191 0.068,1192 8.132,1193 0.332,1194 4.731,1195 0.074,1196 3.794,1197 4.079,1198 3.287,1199 15.914,1200 3.55,1201 1.931,1202 1.907,1203 2.055,1204 2.096,1205 1.235,1206 2.057,1207 1.909,1208 1.89,1209 2.001,1210 2.011,1211 1.181,1212 2.024,1213 1.851,1214 1.832,1215 1.93,1216 1.98,1217 1.078,1218 1.976,1219 1.614,1220 1.574,1221 1.735,1222 1.859,1223 0.972,1224 1.83,1225 1.51,1226 1.483,1227 1.661,1228 1.718,1229 0.9,1230 1.702,1231 1.304,1232 1.257,1233 1.594,1234 1.544,1235 0.732,1236 1.551,1237 1.198,1238 1.134,1239 1.573,1240 1.514,1241 0.574,1242 1.533,1243 1.159,1244 1.117,1245 1.5,1246 1.454,1247 0.565,1248 1.475,1249 4.575,1251 5.943,1252 2.398,1253 7.529,1254 4.595,1255 9.227,1256 6.555,1257 10.992,1259 4.584,1264 9.18,1265 -0.438,1266 2.623,1267 22.47,1268 1.114,1270 -1.19,1271 1.103,1272 -1.93,1273 48.049,1274 129.955,1275 304.269,1276 386.838,1277 422.838,1278 429.593,1279 429.593,1280 129.437,1281 8.688,1282 171.41,1283 196.71,1284 27,1285 13.3,1286 4.524,1287 3.858,1288 73.399,1289 211,1290 235,1291 0.158,1292 294.994,1293 534.06,1294 711.545,1295 77366,1297 31.432,1298 0.714,1299 0.564,1300 31.786,1301 24.829,1302 21.178,1303 0.441,1304 0.298,1305 13.078,1306 19.498,1307 12.649,1308 10.464,1309 21.632,1310 14.297,1311 19.122,1312 0.277,1313 0.157,1314 19.673,1315 10.816,1316 16.339,1317 0.17,1318 0.084,1319 17.062,1320 8.057,1321 14.06,1322 0.11,1323 0.045,1324 14.812,1325 5.733,1326 10.967,1327 0.07,1328 0.024,1329 11.797,1330 3.824,1331 0.247,1332 140.898,1333 0.179,1334 38.414,1335 0.443,1336 234,1337 867.808,1338 293.407,1339 821.868,1340 1090.27,1341 766,1342 282,1343 757.129,1344 341.252,1345 770.604,1346 1141.34,1347 715,1348 6.796}
{0 CHEMBL79463,1 1.784,2 10.31,3 2.444,4 5.971,5 96.625,6 7.43,8 4.113,9 4.241,10 3.619,11 3.479,12 5.271,13 3.49,14 4.739,15 4.937,16 4.081,17 3.868,18 6.262,19 3.858,20 5.002,21 5.216,22 4.161,23 4.063,24 6.392,25 4.023,26 5.174,27 5.412,28 4.237,29 4.096,30 6.457,31 4.095,32 5.176,33 5.369,34 4.3,35 4.104,36 6.728,37 4.126,38 5.219,39 5.431,40 4.167,41 4.16,42 6.664,43 4.126,44 5.213,45 5.463,46 4.056,47 4.144,48 6.354,49 4.057,50 5.193,51 5.471,52 3.92,53 3.95,54 6.502,55 3.865,56 0.241,57 0.926,58 11.975,59 5.183,60 39.979,61 6.779,62 1.305,63 1.693,64 27.045,65 8.141,66 198.368,67 11.531,68 1.328,69 1.483,70 35.007,71 10.128,72 227.365,73 15.098,74 1.622,75 1.613,76 44.172,77 9.931,78 234.683,79 15.481,80 2.026,81 1.875,82 44.119,83 10.777,84 331.369,85 14.655,86 2.286,87 1.832,88 47.505,89 12.235,90 397.568,91 16.286,92 1.541,93 1.602,94 45.629,95 11.941,96 210.123,97 18.278,98 1.979,99 1.581,100 48.323,101 10.975,102 325.848,103 16.535,105 177,106 42,107 0.301,108 0.517,109 0.737,110 0.781,111 0.799,112 0.834,113 3.408,114 0.969,115 -1.77,116 -1.83,117 -1.85,120 31.6,121 4,122 2,123 2,125 1,126 1,128 3,132 1,151 1,153 2,154 1,165 5,167 2,168 2,171 3,173 2,176 2,181 1,182 4,185 4,187 5,195 12,200 1,206 6,207 7,210 1,212 2,215 3,219 1,220 4,223 1,224 1,225 1,227 7,231 8,236 2,239 2,244 3,245 2,248 2,250 1,253 1,258 1,261 1,263 2,266 4,270 1370,271 17.792,272 17.792,273 17.792,274 17.792,275 17.792,276 17.31,277 18.749,278 10.052,279 18.344,280 14.11,281 14.11,282 14.11,283 14.11,284 14.11,285 13.068,286 17.211,287 4.571,288 14.916,289 4.049,290 2.767,291 1.461,292 1.202,293 1.097,294 0.886,295 4.039,301 1,302 1,303 574,304 5.831,306 102.628,313 1.679,314 72.371,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 69,326 299,327 4.466,328 4.611,329 7.214,330 4.272,331 3.371,332 3.61,333 3.975,334 11.995,335 3.11,336 4.287,337 3.956,338 6.777,339 4.137,340 3.173,341 3.437,342 2.19,343 11.012,344 3.036,345 3.919,346 3.704,347 6.228,348 3.767,349 2.794,350 3.054,351 2.011,352 9.081,353 2.713,354 3.625,355 3.58,356 5.974,357 3.502,358 2.576,359 2.753,360 1.934,361 8.221,362 2.326,363 3.513,364 3.291,365 5.306,366 3.185,367 2.223,368 2.555,369 1.792,370 6.187,371 2.107,372 3.205,373 2.649,374 4.918,375 3.015,376 2.023,377 2.228,378 0.636,379 5.505,380 1.988,381 2.768,382 2.383,383 4.362,384 2.577,385 1.564,386 1.732,387 0.366,388 3.827,389 1.575,390 2.647,391 2.319,392 4.296,393 2.351,394 1.365,395 1.57,396 0.21,397 3.43,398 1.302,399 1.972,400 1.461,401 3.762,402 1.914,403 0.957,404 0.963,405 0.05,406 2.372,407 0.911,408 1.941,409 1.285,410 3.453,411 1.823,412 0.846,413 0.892,415 2.136,416 0.817,417 1.747,418 1.261,419 3.164,420 1.471,421 0.519,422 0.572,424 1.109,425 0.481,426 1.715,427 1.25,428 3.154,429 1.373,430 0.338,431 0.417,433 0.817,434 0.342,435 1.465,436 1.114,437 2.525,438 1.108,439 0.153,440 0.182,442 0.231,443 0.144,444 0.603,445 0.51,446 2.44,447 0.255,448 -0.783,449 -0.888,451 -2,452 -0.7,453 0.584,454 0.51,455 2,456 0.254,457 -0.796,458 -0.973,460 -2,461 -0.7,462 12.724,463 0.439,464 1.194,465 0.041,466 24.5,467 0.845,468 6,469 0.207,470 18.5,471 0.638,472 35.403,473 1.221,474 37.076,475 0.65,476 26.125,477 0.901,478 4.757,479 0.164,480 8.549,481 0.295,482 0.369,483 0.039,484 0.385,487 3,490 0.63,491 1.368,492 0.759,493 1.533,494 0.578,495 1.261,496 0.459,497 0.9,498 0.693,499 1.09,500 0.408,501 1.012,502 0.53,503 0.92,504 0.804,505 1.188,506 0.559,507 1.13,508 0.956,509 0.774,510 0.89,511 0.883,512 0.988,513 0.847,514 1.234,515 1.078,516 1.126,517 1.003,518 1.26,519 1.015,520 1.322,521 1.082,522 1.313,523 1.027,524 1.285,525 1.14,526 0.768,527 0.825,528 0.965,529 1.153,530 0.772,531 1.149,532 0.937,533 0.921,534 0.919,535 0.879,536 0.957,537 0.898,538 8.5,539 0.248,540 4.667,541 2.681,542 2.41,543 1.198,544 0.883,545 0.726,546 0.446,547 0.3,548 8076,549 32852,550 1.768,551 49.1,552 12,553 8,556 2,558 6,560 1.725,561 1.561,562 3.326,563 0.364,564 1,565 1,569 101.691,570 1.784,571 3.066,572 4.372,573 4.631,574 4.736,575 4.946,576 2.738,577 4.487,578 4.832,579 3.515,580 1427.22,581 8.447,582 19258.6,584 1,586 1,587 332.475,588 1.694,589 4.693,590 0.293,591 0.011,592 0.111,593 0.06,594 0.049,595 0.024,596 0.021,597 0.019,598 0.014,599 0.012,600 0.614,601 0.33,602 1,603 2.153,604 146.139,605 -0.048,606 -0.194,607 0.012,608 -0.148,609 -0.05,610 -0.06,611 0.338,612 0.178,613 0.202,614 0.042,615 0.306,616 0.052,617 0.16,618 -0.06,619 0.07,620 -0.12,621 0.143,622 -0.08,623 -0.102,624 0.023,625 0.058,626 0.04,627 -0.105,628 0.111,629 -0.129,630 -0.096,631 -0.131,632 -0.018,633 -0.067,634 -0.064,635 -0.169,636 0.091,637 -0.303,638 0.016,639 -0.123,640 -0.159,641 -0.025,642 -0.035,643 -0.055,644 -0.159,645 -0.052,646 -0.13,647 0.001,648 -0.12,649 0.078,650 0.008,651 -0.011,652 0.059,653 6.333,654 5.895,655 0.172,656 26.197,657 1.032,658 1.164,659 0.536,660 0.288,661 0.592,662 3.401,663 3.761,664 3.932,665 4.078,666 4.143,667 4.078,668 4.078,669 4.111,670 4.025,671 3.912,672 6.379,673 0.582,674 423.49,675 3.401,676 4.963,677 5.79,678 6.678,679 7.535,680 8.422,681 9.29,682 10.176,683 11.05,684 11.936,685 5.3,692 3,720 57,723 4,725 29,727 57,728 18,735 1,736 1,741 5,745 3,747 1,748 5,749 4,750 14,751 2,754 4,759 4,763 4,765 1,766 3,768 28,769 11,770 2,771 11,775 3,780 1,781 5,786 1,788 1,798 1,800 1,801 1,810 1,813 1,817 5,819 3,821 29,828 3,829 2,830 1,833 5,834 1,835 1,839 3,840 8.8,843 4,845 1,847 18.583,848 11.379,849 6.444,850 3.525,851 0.24,852 1.037,853 0.856,854 9.105,855 6.77,856 3.526,857 3.932,858 4.174,859 4.317,860 4.454,861 4.304,862 4.277,863 4.407,864 4.248,865 4.127,866 0.857,867 45,868 12.029,870 6.21,871 8.658,872 19.387,874 15.42,877 3.158,878 91.583,881 1,882 306.049,883 82.423,884 39.146,886 111.58,887 44.88,889 82.423,890 417.628,891 84.026,892 46.184,893 46.321,895 115.122,896 55.88,897 6.763,898 306.049,899 7.76,900 306.049,901 121.569,902 156.46,905 235.422,906 227.087,909 89.381,910 32.188,913 350.929,914 150.725,915 82.423,918 313.808,919 28.48,920 49.308,921 36.022,922 156.46,923 306.049,924 195.606,925 82.423,927 0.598,928 0.341,929 0.161,930 0.086,931 16,932 12,933 0.14,934 8,936 1,937 3.586,938 238.523,940 5,941 132.127,945 25.387,946 10.401,947 6.684,949 195.606,957 36.022,958 584.078,959 33,964 48.701,968 -4.212,969 58.85,970 66.374,971 0.306,972 0.526,973 0.75,974 0.794,975 0.812,976 0.848,977 4.836,978 1.365,979 5.866,980 3.827,981 4.443,982 4.615,983 3.936,984 6.749,985 4.346,986 6.035,987 0.957,988 7.503,989 3.43,990 4.443,991 4.691,992 4.24,993 8.007,994 4.246,995 7.356,996 0.846,997 9.248,998 2.372,999 6.168,1000 6.494,1001 5.871,1002 11.025,1003 5.952,1004 8.705,1005 0.519,1006 11.054,1007 2.136,1008 6.899,1009 7.3,1010 6.967,1011 13.01,1012 6.585,1013 10.085,1014 0.338,1015 12.896,1016 1.109,1017 8.228,1018 8.696,1019 8.368,1020 15.649,1021 7.878,1022 11.483,1023 0.153,1024 14.763,1025 0.817,1026 9.231,1027 9.774,1028 9.685,1029 17.906,1030 8.795,1031 12.896,1032 -0.783,1033 16.647,1034 0.231,1035 10.448,1036 11.056,1037 11.062,1038 20.424,1039 9.959,1040 3.371,1041 -0.796,1042 18.545,1043 -2,1044 11.556,1045 12.238,1046 12.428,1047 22.795,1048 10.991,1049 3.173,1050 11.995,1051 20.453,1052 -2,1053 12.743,1054 13.491,1055 13.806,1056 25.273,1057 12.115,1058 2.794,1059 11.012,1060 22.37,1061 3.61,1062 13.896,1063 14.715,1064 15.183,1065 27.694,1066 13.194,1067 2.576,1068 9.081,1069 24.293,1070 3.437,1071 15.079,1072 15.965,1073 16.563,1074 30.16,1075 14.308,1076 2.223,1077 8.221,1078 26.222,1079 3.054,1080 16.252,1081 17.208,1082 17.942,1083 32.605,1084 15.408,1085 2.023,1086 6.187,1087 28.156,1088 2.753,1089 17.438,1090 18.462,1091 19.322,1092 35.069,1093 16.522,1094 1.564,1095 5.505,1096 30.095,1097 2.555,1098 18.622,1099 19.715,1100 20.702,1101 37.525,1102 17.631,1103 8773,1104 17879,1105 16.531,1106 33.762,1107 44.953,1108 46.568,1109 47.698,1110 44.066,1111 43.805,1112 47.929,1113 26.326,1114 131.842,1115 41.705,1116 5.448,1117 6.387,1118 6.764,1119 5.314,1120 5.354,1121 5.61,1122 5.695,1123 19.654,1124 5.023,1125 24,1126 1.55,1127 1.606,1128 1.645,1129 1.52,1130 1.511,1131 1.653,1132 0.908,1133 4.546,1134 1.438,1135 3.958,1136 4.007,1137 3.885,1138 3.782,1139 8.516,1140 3.797,1141 3.808,1142 3.851,1143 3.75,1144 3.641,1145 7.999,1146 3.65,1147 3.72,1148 3.777,1149 3.614,1150 3.567,1151 7.999,1152 3.562,1153 3.47,1154 3.521,1155 3.398,1156 3.197,1157 7.439,1158 3.232,1159 3.463,1160 3.497,1161 3.353,1162 3.143,1163 7.429,1164 3.19,1165 3.298,1166 3.346,1167 3.192,1168 3.019,1169 7.422,1170 3.059,1171 3.208,1172 3.267,1173 3.062,1174 2.951,1175 7.416,1176 2.972,1177 2.975,1178 3.043,1179 2.765,1180 2.659,1181 4.524,1182 2.678,1183 0.154,1184 0.159,1185 0.249,1186 0.147,1187 0.116,1188 4.466,1189 0.124,1190 4.611,1191 0.137,1192 7.214,1193 0.414,1194 4.272,1195 0.107,1196 3.371,1197 3.61,1198 3.975,1199 11.995,1200 3.11,1201 1.79,1202 1.745,1203 1.984,1204 1.991,1205 1.26,1206 1.981,1207 1.759,1208 1.71,1209 1.975,1210 1.951,1211 1.248,1212 1.954,1213 1.602,1214 1.547,1215 1.856,1216 1.777,1217 1.208,1218 1.802,1219 1.49,1220 1.422,1221 1.702,1222 1.723,1223 0.977,1224 1.731,1225 1.327,1226 1.284,1227 1.611,1228 1.672,1229 0.595,1230 1.643,1231 1.31,1232 1.273,1233 1.482,1234 1.632,1235 0.584,1236 1.574,1237 1.103,1238 1.038,1239 1.417,1240 1.42,1241 0.517,1242 1.413,1243 0.934,1244 0.848,1245 1.417,1246 1.302,1247 0.469,1248 1.308,1249 4.078,1251 5.425,1252 2.398,1253 6.938,1254 4.595,1255 8.529,1256 6.605,1257 10.164,1259 7.316,1261 38.473,1265 0.917,1266 4.568,1267 4.511,1270 -4.836,1271 1.228,1272 -5.083,1273 33.163,1274 101.691,1275 174.754,1276 249.191,1277 263.945,1278 269.945,1279 281.945,1280 198.004,1281 6.529,1282 104.81,1283 104.81,1284 5,1285 12.47,1286 2.322,1287 2.322,1288 91.334,1289 110,1290 112,1291 0.412,1292 208.288,1293 392.2,1294 499.983,1295 4696,1296 5.3,1297 22.516,1298 0.776,1299 0.591,1300 20.016,1301 17.13,1302 13.306,1303 0.459,1304 0.323,1305 9.136,1306 12.386,1307 8.831,1308 7.399,1309 12.094,1310 9.372,1311 13.05,1312 0.311,1313 0.182,1314 11.14,1315 7.64,1316 9.443,1317 0.189,1318 0.095,1319 8.291,1320 4.756,1321 6.719,1322 0.116,1323 0.054,1324 6.338,1325 3.142,1326 4.895,1327 0.079,1328 0.03,1329 4.221,1330 1.832,1331 0.635,1332 86.863,1333 0.246,1334 27.114,1335 1.164,1336 142,1337 707.322,1338 177.829,1339 575.964,1340 711.86,1341 526,1342 163,1343 461.204,1344 193.068,1345 439.47,1346 660.77,1347 407,1348 6.827}
{0 CHEMBL99622,1 1.46,2 6.5,3 3.18,4 10.114,5 64.092,6 7.811,7 0.333,8 3.506,9 3.594,10 3.199,11 3.178,12 4.484,13 3.1,14 4.105,15 4.233,16 3.627,17 3.635,18 5.079,19 3.511,20 4.404,21 4.612,22 3.672,23 3.694,24 5.252,25 3.508,26 4.202,27 4.428,28 3.294,29 3.444,30 5.09,31 3.246,32 3.911,33 4.081,34 3.07,35 3.218,36 5.041,37 3.109,38 3.873,39 4.043,40 2.938,41 3.127,42 5.004,43 3.047,44 3.833,45 4.07,46 2.508,47 2.966,48 4.739,49 2.797,50 3.55,51 3.878,52 1.56,53 2.484,54 4.148,55 2.185,56 0.005,57 0.376,58 6.488,59 3.34,60 4.025,61 4.013,62 0.15,63 0.693,64 14.432,65 6.44,66 20.49,67 7.513,68 0.222,69 0.942,70 25.743,71 9.258,72 25.423,73 10.316,74 0.198,75 0.767,76 22.261,77 7.758,78 23.781,79 8.478,80 0.127,81 0.558,82 15.335,83 5.423,84 25.565,85 5.855,86 0.129,87 0.497,88 10.131,89 4.181,90 26.498,91 5.094,92 0.107,93 0.49,94 10.59,95 4.298,96 19.817,97 5.61,98 0.085,99 0.375,100 9.193,101 3.46,102 13.109,103 4.779,105 2,106 25,107 0.282,108 0.585,109 0.731,110 0.841,111 0.859,112 0.859,113 2.854,114 1.108,115 -4.34,116 -4.27,117 -4.03,120 43.3,122 3,123 1,128 2,140 5,142 1,153 1,165 7,167 1,168 2,176 10,182 5,190 5,195 2,203 5,207 5,215 4,220 4,227 7,231 2,239 5,253 2,270 254,271 11.069,272 11.069,273 11.069,274 11.069,275 11.069,276 10.187,277 7.742,278 6.641,279 11.325,280 8.916,281 8.916,282 8.916,283 8.916,284 8.916,285 7.623,286 7.548,287 3.179,288 9.372,289 3.447,290 1.883,291 1.129,292 0.558,293 0.467,294 0.467,295 3.53,301 1,302 1,303 230,304 1.871,306 62.02,307 44.873,309 51.039,313 0.938,314 13.577,317 1,318 1,319 1,320 0.8,321 0.5,322 1,323 1,324 0.9,325 34,326 104,327 4.269,328 4.677,329 6.73,330 4.142,331 3.193,332 3.501,333 3.42,334 10.962,335 3.022,336 3.866,337 3.763,338 5.558,339 3.438,340 2.51,341 3.283,342 2.218,343 7.316,344 2.321,345 3.336,346 2.902,347 5.24,348 3.116,349 2.125,350 2.391,351 0.277,352 6.298,353 2.086,354 2.946,355 2.751,356 4.728,357 2.587,358 1.663,359 2.096,361 4.856,362 1.511,363 2.657,364 1.745,365 3.67,366 2.378,367 1.414,368 1.659,370 3.095,371 1.35,372 2.5,373 1.528,374 3.442,375 2.044,376 1.047,377 1.5,379 2.346,380 1.038,381 2.118,382 1.071,383 3.339,384 2,385 1,386 1.083,388 2.136,389 1,390 1.694,391 1,392 3.247,393 1.502,394 0.579,395 0.623,397 1.555,398 0.519,399 0.951,400 0.602,401 2.701,402 0.693,403 -0.209,404 -0.231,406 -0.543,407 -0.185,408 0.845,409 0.479,410 2.307,411 0.411,412 -0.589,413 -0.767,415 -1.372,416 -0.561,417 0.5,418 0.015,419 1.804,421 -1,422 -1.305,424 -2.347,425 -1,426 0.259,427 -0.899,428 1.555,429 -0.114,430 -1.081,431 -1.5,433 -2.644,434 -1.045,435 -0.365,436 -1,437 1.525,438 -0.459,439 -1.414,440 -1.541,442 -3.642,443 -1.293,444 -0.475,445 -1.109,446 1.421,447 -0.55,448 -1.536,449 -1.635,451 -4.537,452 -1.518,453 -0.5,454 -1.298,455 1.109,456 -0.782,457 -1.743,458 -2,460 -4.789,461 -1.575,462 8,463 0.5,464 0.329,465 0.021,466 17.75,467 1.109,468 8,469 0.5,470 9.75,471 0.609,472 13.054,473 0.816,474 17.2,475 0.573,476 8.93,477 0.558,478 2.934,479 0.183,480 4.909,481 0.307,482 0.042,484 0.313,490 0.645,491 0.978,492 0.721,493 0.89,494 0.512,495 0.9,496 0.659,497 1.088,498 0.979,499 1.06,500 0.495,501 1.065,502 0.998,503 1.076,504 1.155,505 1.168,506 0.829,507 1.032,508 1.23,509 0.932,510 1.355,511 1.105,512 1.157,513 0.926,514 1.437,515 1.116,516 1.439,517 1.277,518 1.885,519 1.034,520 1.645,521 1.022,522 0.803,523 0.842,524 1.836,525 1.068,526 1.054,527 1.06,528 0.78,529 0.89,530 1.059,531 1.152,532 0.535,533 0.852,534 0.631,535 0.728,536 0.57,537 0.975,538 2.5,540 1.556,541 1.104,542 0.636,543 0.372,544 0.142,545 0.075,546 0.01,548 2054,549 4978,550 2.174,551 46.7,552 4,553 7,558 2,559 1,560 1.552,561 2.087,562 2.751,563 -0.795,565 1,566 1,567 1,569 43.798,570 1.46,571 3.023,572 3.778,573 4.348,574 4.44,575 4.44,576 2.108,577 3.406,578 3.976,579 2.818,580 338.13,581 6.696,582 2885.96,584 1,586 1,587 147.207,588 1.198,589 3.954,590 0.139,592 0.062,593 0.053,594 0.04,595 0.023,596 0.01,597 0.009,598 0.005,600 0.341,601 0.83,602 1,603 0.5,604 63.517,605 0.004,606 0.025,607 0.08,608 0.056,609 0.011,610 0.052,611 0.182,612 -0.082,613 -0.005,614 -0.043,615 0.108,616 -0.104,617 0.003,618 -0.07,619 0.052,620 -0.058,621 -0.025,622 -0.038,623 -0.122,624 0.082,625 -0.071,626 0.042,627 -0.075,628 0.076,629 -0.159,630 -0.111,631 -0.289,632 -0.206,633 -0.109,634 -0.077,635 -0.237,636 -0.119,637 -0.189,638 -0.113,639 -0.169,640 -0.195,641 -0.116,642 -0.172,643 -0.141,644 -0.142,645 -0.096,646 -0.227,647 0.021,648 0.022,649 0.069,650 0.046,651 -0.024,652 0.013,653 1.677,654 4.749,655 0.875,656 8.016,657 0.997,658 1.108,659 3.106,660 9.65,661 0.696,662 2.944,663 3.258,664 3.555,665 3.85,666 3.951,667 3.932,668 4.007,669 3.892,670 3.85,671 3.738,672 4.069,673 0.643,674 234.34,675 2.944,676 4.466,677 5.323,678 6.205,679 7.083,680 7.972,681 8.859,682 9.752,683 10.643,684 11.539,699 5,704 1,706 6,720 30,723 7,724 1,725 18,727 32,728 13,729 6,730 1,731 5,735 3,736 4,745 5,746 1,748 5,749 7,750 6,751 1,754 1,759 1,763 1,765 1,768 14,769 2,771 3,772 1,780 0.667,781 2,788 2,789 1,791 1,803 1,813 2,814 1,815 1,821 16,828 3,830 1,831 1,833 3,840 6.7,843 1,845 1,847 7.667,848 5.167,849 3.5,850 1.986,851 1.144,852 1.183,853 0.964,854 2.74,855 7.383,856 3.135,857 3.597,858 4.021,859 4.45,860 4.808,861 4.657,862 4.869,863 5.072,864 5.258,865 5.178,866 1,867 21,868 5.973,870 2.628,871 7.635,872 11.783,874 10.395,877 2.135,878 34.167,879 0.006,882 164.795,883 95.946,886 36.145,888 32.22,889 63.727,890 200.94,893 7.604,894 47.381,895 32.336,896 12.551,898 197.015,900 164.795,901 63.727,902 36.145,903 32.22,905 129.482,906 71.458,909 7.604,910 56.123,912 32.22,913 164.795,914 36.145,915 95.946,918 164.795,919 48.565,920 47.381,922 36.145,923 164.795,924 36.145,925 95.946,927 0.576,928 0.342,929 0.195,930 0.099,931 14,932 5,933 0.063,934 2,935 1,936 1.143,937 2.936,938 111.81,939 0.143,940 14,941 60,942 1,945 10.367,946 4.229,947 1.931,949 36.145,950 10.124,955 1.164,958 296.887,959 22,964 11.749,968 -0.011,969 29.916,970 33.245,971 0.298,972 0.616,973 0.77,974 0.886,975 0.905,976 0.905,977 4.376,978 0.579,979 5.293,980 2.136,981 3.932,982 4.277,983 3.48,984 6.107,985 3.828,986 5.51,987 -0.209,988 6.845,989 1.555,990 3.434,991 3.795,992 2.243,993 7.002,994 3.257,995 6.776,996 -0.589,997 8.502,998 -0.543,999 5.509,1000 6.193,1001 5.683,1002 10.149,1003 5.293,1004 8.072,1005 -1,1006 10.226,1007 -1.372,1008 5.916,1009 6.497,1010 4.601,1011 11.959,1012 5.619,1013 9.404,1014 -1.081,1015 11.992,1016 -2.347,1017 7.421,1018 8.391,1019 8.04,1020 14.599,1021 7.091,1022 10.759,1023 -1.414,1024 13.79,1025 -2.644,1026 8.245,1027 9.048,1028 7.073,1029 16.77,1030 7.838,1031 12.132,1032 -1.536,1033 15.611,1034 -3.642,1035 9.528,1036 10.72,1037 10.446,1038 19.248,1039 9.084,1040 3.193,1041 -1.743,1042 17.449,1043 -4.537,1044 10.54,1045 11.56,1046 9.629,1047 21.558,1048 10.027,1049 2.51,1050 10.962,1051 19.3,1052 -4.789,1053 11.74,1054 13.109,1055 12.87,1056 23.981,1057 11.183,1058 2.125,1059 7.316,1060 21.162,1061 3.501,1062 12.834,1063 14.06,1064 12.213,1065 26.344,1066 12.214,1067 1.663,1068 6.298,1069 23.033,1070 3.283,1071 14.004,1072 15.529,1073 15.301,1074 28.748,1075 13.337,1076 1.414,1077 4.856,1078 24.91,1079 2.391,1080 15.135,1081 16.555,1082 14.795,1083 31.13,1084 14.408,1085 1.047,1086 3.095,1087 26.793,1088 2.096,1089 16.296,1090 17.967,1091 17.735,1092 33.528,1093 15.519,1094 1,1095 2.346,1096 28.681,1097 1.659,1098 17.442,1099 19.046,1100 17.364,1101 35.918,1102 16.608,1103 1987,1104 3171,1105 12.425,1106 20.887,1107 27.217,1108 29.38,1109 27.462,1110 27.127,1111 27.062,1112 32.271,1113 11.83,1114 77.129,1115 25.693,1116 5.269,1117 6.677,1118 6.532,1119 5.293,1120 5.193,1121 6.501,1122 6.747,1123 17.89,1124 5.022,1125 4.382,1126 1.512,1127 1.632,1128 1.526,1129 1.507,1130 1.503,1131 1.793,1132 0.657,1133 4.285,1134 1.427,1135 3.983,1136 4.007,1137 4.08,1138 3.917,1139 7.432,1140 3.887,1141 3.847,1142 3.878,1143 3.779,1144 3.772,1145 4.745,1146 3.765,1147 3.378,1148 3.401,1149 3.414,1150 3.255,1151 4.525,1152 3.219,1153 2.944,1154 2.999,1155 3.09,1156 2.814,1157 3.879,1158 2.782,1159 2.854,1160 2.925,1161 2.687,1162 2.735,1163 3.704,1164 2.715,1165 2.816,1166 2.874,1167 2.637,1168 2.67,1169 3.674,1170 2.647,1171 2.642,1172 2.694,1173 2.469,1174 2.391,1175 3.326,1176 2.401,1177 2.308,1178 2.377,1179 2.297,1180 2.115,1181 2.912,1182 2.049,1183 0.237,1184 0.26,1185 0.374,1186 0.23,1187 0.177,1188 4.269,1189 0.194,1190 4.677,1191 0.19,1192 6.73,1193 0.609,1194 4.142,1195 0.168,1196 3.193,1197 3.501,1198 3.42,1199 10.962,1200 3.022,1201 1.882,1202 1.861,1203 1.985,1204 1.945,1205 1.295,1206 1.972,1207 1.634,1208 1.592,1209 1.866,1210 1.783,1211 1.19,1212 1.814,1213 1.553,1214 1.501,1215 1.77,1216 1.715,1217 1.055,1218 1.739,1219 1.225,1220 1.223,1221 1.326,1222 1.492,1223 0.591,1224 1.448,1225 0.886,1226 0.821,1227 1.181,1228 1.062,1229 0.218,1230 1.107,1231 0.832,1232 0.803,1233 1.038,1234 0.967,1235 0.155,1236 1.012,1237 0.351,1238 0.259,1239 0.82,1240 0.703,1241 0.014,1242 0.753,1243 0.178,1244 0.043,1245 0.746,1246 0.563,1248 0.631,1249 3.611,1251 4.92,1252 3.045,1253 6.418,1254 5.416,1255 8.007,1256 7.506,1257 9.648,1265 3.4,1267 5.41,1268 1.661,1270 0.668,1273 19.304,1274 43.798,1275 90.703,1276 113.332,1277 130.452,1278 133.207,1279 133.207,1280 22.864,1281 6.238,1282 26.3,1283 51.6,1284 16,1285 12.065,1286 3,1287 2.322,1288 21.776,1289 38,1290 36,1291 0.287,1292 120.705,1293 211.01,1294 286.279,1295 3481,1297 10.958,1298 0.685,1299 0.611,1300 11.311,1301 9.781,1302 7.843,1303 0.436,1304 0.369,1305 5.8,1306 7.209,1307 5.628,1308 4.599,1309 8.252,1310 6.646,1311 6.971,1312 0.279,1313 0.225,1314 7.614,1315 5.637,1316 6.003,1317 0.177,1318 0.139,1319 6.863,1320 4.739,1321 5.211,1322 0.113,1323 0.084,1324 6.072,1325 3.865,1326 3.878,1327 0.076,1328 0.051,1329 4.77,1330 2.612,1331 0.429,1332 52.536,1333 0.284,1334 15.972,1335 0.848,1336 86,1337 230.331,1338 118.155,1339 237.704,1340 322.29,1341 224,1342 102,1343 216.4,1344 132.806,1345 229.228,1346 341.53,1347 218,1348 7}