@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1741178

@attribute molecule_id {CHEMBL1301524,CHEMBL1322254,CHEMBL1370681,CHEMBL1417204,CHEMBL1425137,CHEMBL1429929,CHEMBL1430895,CHEMBL1449204,CHEMBL1452646,CHEMBL1481587,CHEMBL1492648,CHEMBL1505372,CHEMBL1507679,CHEMBL1522211,CHEMBL1566515,CHEMBL1578641,CHEMBL1579890,CHEMBL1581146,CHEMBL1581772,CHEMBL1584597}
@attribute IC3 numeric
@attribute MATS1s numeric
@attribute X3Av numeric
@attribute DBI numeric
@attribute Eig02_EA.dm. numeric
@attribute MW numeric
@attribute SM02_EA.dm. numeric
@attribute ATSC2m numeric
@attribute ATSC8m numeric
@attribute Eig12_EA.ri. numeric
@attribute GATS5p numeric
@attribute IC2 numeric
@attribute piPC04 numeric
@attribute SM11_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMin1_Bh.s. numeric
@attribute TPSA.Tot. numeric
@attribute X4Av numeric
@attribute Eig03_AEA.dm. numeric
@attribute S3K numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMin7_Bh.v. numeric
@attribute Uindex numeric
@attribute SM08_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute GATS3e numeric
@attribute P_VSA_i_3 numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute ATS6m numeric
@attribute Eta_L numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMin4_Bh.p. numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS5m numeric
@attribute ATSC1p numeric
@attribute C.026 numeric
@attribute CATS2D_05_LL 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.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute CSI numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eta_C numeric
@attribute Eta_epsi numeric
@attribute GATS1i numeric
@attribute GMTI numeric
@attribute IAC numeric
@attribute IDDE numeric
@attribute ISIZ numeric
@attribute IVDM numeric
@attribute MATS3e numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBT numeric
@attribute O.058 numeric
@attribute ON1V numeric
@attribute P_VSA_p_1 numeric
@attribute RDCHI numeric
@attribute S0K numeric
@attribute Se numeric
@attribute Si numeric
@attribute SM04_EA.dm. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM08_EA.dm. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SMTI numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute X1 numeric
@attribute X1Kup numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X3v numeric
@attribute X4v numeric
@attribute X5v numeric
@attribute Eta_sh_y numeric
@attribute GATS3s numeric
@attribute GATS8p numeric
@attribute MATS1i numeric
@attribute MAXDN numeric
@attribute O.060 numeric
@attribute PHI numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute RBN numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SssCH2 numeric
@attribute TIC1 numeric
@attribute MATS1v numeric
@attribute SM03_EA.bo. numeric
@attribute SM05_EA.bo. numeric
@attribute ATS8m numeric
@attribute CATS2D_05_AL numeric
@attribute SM07_EA.bo. numeric
@attribute SM09_EA.bo. numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v 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 ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i 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 ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i 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 ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.013 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CENT numeric
@attribute Chi0_EA.dm. 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.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.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_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.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. 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.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.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.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_A 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_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e 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 GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p 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 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 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 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 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 IC0 numeric
@attribute IC1 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR 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 IVDE 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 MATS1m numeric
@attribute MATS1p numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v 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 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 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.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 NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArCO numeric
@attribute nArCONR2 numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOR numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCHR2X numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrs numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nDB numeric
@attribute NddsN numeric
@attribute NddssS 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 nIsoxazoles numeric
@attribute nN numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nN.N numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR10 numeric
@attribute nR.C. numeric
@attribute nRCO numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOR numeric
@attribute nRNR2 numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute pXC50 numeric

@data
{1 4.414,2 -0.019,3 0.1,4 3.082,5 1.2,6 405.29,7 2.092,8 14.418,9 30.574,10 -0.042,11 0.816,12 3.957,13 5.104,14 15.711,15 17.153,16 18.428,17 19.837,18 21.15,19 3.197,20 3.224,21 1.3,22 40.62,23 0.054,24 3.29,25 4.037,26 3.911,27 1.107,28 42.049,29 11.883,30 0.8,31 0.981,32 262.17,33 2.866,34 1.068,35 3.829,36 5.794,37 3.42,38 3.461,39 1.59,40 390.138,41 569.07,42 367,43 3.854,44 3.961,45 4.399,46 4.567,47 4.679,48 4.866,49 3.832,50 3.97,51 3,53 16.499,54 16.499,55 16.499,56 16.499,57 16.499,58 14.76,59 9.512,60 16.869,61 10.596,62 20.24,63 4.464,64 605,65 0.458,66 0.884,67 -0.048,68 -0.056,69 -0.115,70 -2,71 21.388,72 26.414,73 1.16,74 7309,75 73.56,76 4.244,77 233.329,78 4.555,79 -0.062,80 2,81 43,82 45,83 2,84 2.592,85 226.84,86 3.679,87 108.096,88 43.552,89 48.334,90 2.334,91 -0.048,92 2.685,93 -0.115,94 3.077,95 -2,96 3.493,97 3.925,98 4.37,99 7171,100 5.36,101 3.245,102 3.043,103 2.733,104 2.715,105 0.24,106 0.149,107 0.113,108 0.047,109 0.109,110 1.69,111 1.63,112 1.864,113 1.875,114 1.318,115 1.22,116 28.622,117 73.56,118 170.168,119 189.82,120 200.574,121 200.574,122 11.952,123 7.996,124 7.751,125 6.362,126 12.119,127 8.851,128 4.882,129 3.172,130 2.286,131 0.342,132 0.898,133 1.317,134 -0.161,135 2.069,137 5.431,138 0.345,139 0.169,140 3,141 3.232,142 1.877,143 1.047,144 1.6,145 2.169,146 141.973,147 -0.018,148 4.649,149 7.531,150 3.729,151 2,152 10.278,153 12.997,154 1.711,155 11.44,156 3.567,157 12.725,158 99.223,159 9.425,160 0.444,161 3.622,162 3.452,163 4.996,164 3.423,165 4.045,166 3.841,167 5.534,168 3.796,169 4.143,170 4.002,171 5.865,172 3.931,173 4.724,174 4.915,175 3.96,176 3.942,177 5.933,178 3.861,179 4.73,180 4.96,181 3.842,182 5.988,183 3.746,184 4.594,185 4.852,186 3.707,187 5.642,188 3.577,189 4.358,190 4.62,191 3.681,192 3.559,193 5.287,194 3.434,195 4.204,196 4.38,197 3.493,198 5.59,199 3.38,200 0.046,201 0.655,202 5.665,203 8.152,204 4.754,205 0.233,206 1.088,207 6.622,208 18.37,209 8.063,210 0.442,211 1.392,212 28.786,213 9.475,214 47.829,215 11.003,216 0.435,217 1.398,218 29.459,219 10.163,220 74.772,221 11.55,222 0.706,223 1.456,224 26.919,225 10.113,226 122.552,227 11.91,228 0.585,229 1.285,230 29.05,231 9.062,232 70.653,233 11.314,234 0.251,235 0.884,236 21.396,237 7.178,238 31.494,239 9.428,240 0.409,241 0.743,242 6.933,243 75.207,244 7.344,245 27,246 38,247 0.299,248 0.576,249 0.691,250 0.771,251 0.814,252 0.814,253 3.266,254 0.983,255 -4.7,256 -4.61,257 -4.34,258 1,259 44.2,260 1,264 4,268 7,269 2,279 1,280 1,287 7,288 1,289 5,294 9,295 1,296 8,301 7,303 6,309 2,310 1,313 1,314 7,320 4,323 1,326 2,328 4,330 1,331 3,334 7,335 835,336 17.754,337 13.25,338 13.25,339 13.25,340 13.25,341 13.25,342 13.922,343 3.716,344 2.125,345 1.469,346 1.012,347 0.762,348 0.762,349 3.944,353 1,355 268.189,358 1.862,359 33.468,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 54.25,370 286,371 4.36,372 3.697,373 6.48,374 4.02,375 3.062,376 3.985,377 1.277,378 10.045,379 2.945,380 4.255,381 3.558,382 6.382,383 3.93,384 2.947,385 3.787,386 9.641,387 2.896,388 3.925,389 5.903,390 3.635,391 2.638,392 3.255,393 8.137,394 2.608,395 3.753,396 2.877,397 5.325,398 3.333,399 2.418,400 3.106,401 0.293,402 6.68,403 2.197,404 3.319,405 2.643,406 5.031,407 3.01,408 2.087,409 2.444,411 5.814,412 1.862,413 3.05,414 2.221,415 4.887,416 2.721,417 1.806,418 2.157,420 5.329,421 1.593,422 2.803,423 1.933,424 4.001,425 2.322,426 1.331,427 1.879,428 3.274,429 1.304,430 2.6,431 1.904,432 3.777,433 2.158,434 1.14,435 1.559,436 2.839,437 1.14,438 2.5,439 1.357,440 3.634,441 2,442 1,443 1.5,444 2.275,445 1,446 2.263,447 1.146,448 3.414,449 1.967,450 1,451 1.089,452 2.275,453 0.965,454 2,455 1,456 3.414,457 1.836,458 0.828,459 1,460 2.11,461 0.801,462 1.207,463 2.702,464 1.114,465 0.412,466 2.338,467 0.585,468 -0.265,469 -0.336,470 -0.572,471 -0.158,472 0.751,473 0.31,474 2.306,475 0.369,476 -0.584,477 -0.694,479 -1.405,480 -0.537,481 0.55,482 -0.118,483 2,484 0.231,485 -0.768,486 -0.95,488 -0.755,489 12.586,490 0.503,491 0.72,492 0.029,493 31.25,494 1.25,495 15.5,496 0.62,497 15.75,498 0.63,499 0.856,500 0.614,501 22.233,502 0.889,503 6.158,504 0.246,505 0.232,506 0.221,509 1,510 0.559,511 0.488,512 0.892,513 0.497,514 0.899,515 0.711,516 0.987,517 0.563,518 0.77,519 0.53,520 0.82,521 0.937,522 0.894,523 0.953,524 0.984,525 1.239,526 1.199,527 0.767,528 1.083,529 1.299,530 1.152,531 1.262,532 1.163,533 0.403,534 1.347,535 0.99,536 0.939,537 1.059,538 0.53,539 0.911,540 0.991,541 1.018,542 0.576,543 0.744,544 0.554,545 0.724,546 0.459,547 0.794,548 1.133,549 0.926,550 1.947,551 1.141,552 1.158,553 5.5,554 0.124,555 3.778,556 1.938,557 1.418,558 0.764,559 0.605,560 0.392,561 0.214,562 0.154,563 24845,564 2.015,565 41.9,567 15,571 3,573 1.675,574 1.852,575 3.464,576 -0.751,578 1,581 1.711,582 3.302,583 4.665,584 4.665,585 2.919,586 4.612,587 3.627,588 1088.04,589 7.951,590 13358.1,592 1,594 1,595 1.516,596 0.204,597 0.008,598 0.099,599 0.048,600 0.042,601 0.026,602 0.026,603 0.018,604 0.01,605 0.009,606 0.491,607 0.5,608 1,609 0.836,610 121.978,611 -0.014,612 0.005,613 -0.053,614 -0.016,615 0.005,616 0.031,617 0.07,618 0.038,619 0.073,620 0.061,621 -0.064,622 -0.039,623 -0.026,624 -0.059,625 -0.165,626 -0.222,627 -0.095,628 -0.193,629 -0.144,630 -0.221,631 -0.026,632 -0.024,633 0.011,634 0.023,635 -0.053,636 -0.048,637 0.078,638 0.085,639 0.075,640 -0.019,641 -0.051,642 -0.027,643 0.041,644 0.043,645 0.122,646 0.162,647 0.074,648 0.22,649 -0.006,650 -0.057,651 -0.212,652 -0.142,653 0.072,654 -0.151,655 6.275,656 0.72,657 23.648,658 1.013,659 1.124,660 3.468,661 12.026,662 0.699,663 3.332,664 3.664,665 3.912,666 4.094,667 4.317,668 4.357,669 4.477,670 4.443,671 4.466,672 4.635,673 6.583,674 0.666,675 3.332,676 4.875,677 5.72,678 6.589,679 7.449,680 8.32,681 9.186,682 10.058,683 10.926,684 11.799,685 4.7,689 1,690 1,696 7,700 5,702 12,704 1,705 1,710 1,713 14,714 2,715 27,716 1,717 19,718 12,719 5,720 7,721 2,723 3,724 3,727 1,733 14,734 5,735 2,738 2,742 2,744 1,745 1,747 18,748 5,750 6,751 1,753 2,757 1,758 2,763 3,772 3,775 1,776 1,778 5.16}
{0 CHEMBL1322254,1 4.877,2 0.101,3 0.087,4 3,5 1.032,6 449.6,7 2.579,8 23.277,9 42.488,10 1,11 0.738,12 4.27,13 5.806,14 16.878,15 18.412,16 19.882,17 21.404,18 22.901,19 3.712,20 3.751,21 1.283,22 60.7,23 0.044,24 2.986,25 4.729,26 4.04,27 1.512,28 49.27,29 12.6,30 0.8,31 1.032,32 327.327,33 3.127,34 1.505,35 4.457,36 7.162,37 3.833,38 3.87,39 1.838,40 499.149,41 728.85,42 469,43 4.205,44 4.324,45 4.736,46 4.917,47 4.966,48 5.174,49 4.372,50 5.328,52 15,53 23.767,54 23.767,55 23.767,56 23.767,57 23.767,58 20.897,59 14.371,60 24.151,61 14.429,62 31.093,63 6.796,64 777,65 1.223,66 2,67 1,68 1.5,69 2.275,70 1.96,71 28.088,72 34.667,73 1.368,74 14942,75 87.177,76 4.499,77 361.775,78 5.043,79 -0.01,81 61,82 65,84 3.658,85 317.82,86 4.343,87 160.974,88 60.556,89 68.268,90 3.634,91 1,92 4.977,93 2.275,94 6.381,95 1.96,96 7.798,97 9.218,98 10.638,99 14034,100 5.798,101 3.649,102 3.599,103 2.941,104 2.91,105 0.191,106 0.116,107 0.09,108 0.054,109 0.088,110 1.781,111 1.708,112 1.95,113 1.965,114 1.605,115 1.569,116 39.617,117 87.177,118 260.491,119 297.51,120 311.02,121 317.02,122 16.742,123 11.364,124 11.082,125 9.199,126 16.742,127 11.509,128 6.233,129 4.414,130 3.151,131 0.288,132 0.694,133 1.132,134 -0.259,135 1.095,136 1,137 6.622,138 0.338,139 0.198,140 6,141 3.635,142 1.984,143 1.07,144 1.823,145 4.3,146 204.592,147 -0.025,148 4.796,149 7.935,150 4.263,151 15,152 10.922,153 13.892,154 1.429,155 10.412,156 5.462,157 29.828,158 134.646,159 7.37,160 0.579,161 3.783,162 3.777,163 5.299,164 3.753,165 4.11,166 4.169,167 5.707,168 4.124,169 4.156,170 4.319,171 5.885,172 4.233,173 5.062,174 5.301,175 4.226,176 4.36,177 6.008,178 4.273,179 5.057,180 5.276,181 4.417,182 6.097,183 4.366,184 5.091,185 5.264,186 4.523,187 6.256,188 4.475,189 5.236,190 5.435,191 4.411,192 4.576,193 6.34,194 4.491,195 5.263,196 5.493,197 4.511,198 6.264,199 4.397,200 0.031,201 0.892,202 12.223,203 12.752,204 7.106,205 0.256,206 1.488,207 8.514,208 19.516,209 11.602,210 0.309,211 1.789,212 30.466,213 11.716,214 27.178,215 16.252,216 0.307,217 1.974,218 34.667,219 12.927,220 38.017,221 18.463,222 0.335,223 1.996,224 33.825,225 12.208,226 39.535,227 17.257,228 0.266,229 2.131,230 32.639,231 12.222,232 52.812,233 16.693,234 0.443,235 2.332,236 39.664,237 15.027,238 70.334,239 20.601,240 0.338,241 2.313,242 16.015,243 68.894,244 22.256,245 6,246 52,247 0.227,248 0.532,249 0.677,250 0.774,251 0.809,252 0.824,253 3.562,254 0.909,255 -5.25,256 -5.14,257 -4.81,259 45.9,263 1,264 5,268 12,269 4,275 1,276 2,277 1,280 2,287 15,288 2,289 7,294 16,295 2,296 6,301 14,302 3,303 9,309 11,310 2,313 1,314 15,317 17,319 3,320 16,323 15,326 11,328 11,330 1,331 5,334 5,335 2162,336 21.879,337 18.763,338 18.763,339 18.763,340 18.763,341 18.763,342 19.393,343 4.502,344 2.577,345 1.66,346 1.054,347 0.832,348 0.734,349 4.271,354 193.822,355 345.446,358 1.388,359 19.143,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 71.5,370 354,371 4.798,372 4.097,373 7.24,374 4.4,375 3.431,376 4.59,377 2.035,378 12.902,379 3.33,380 3.996,381 3.425,382 6.09,383 3.622,384 2.651,385 3.538,386 8.714,387 2.594,388 3.97,389 6.068,390 3.573,391 2.62,392 3.496,393 8.585,394 2.537,395 3.871,396 2.798,397 5.419,398 3.517,399 2.548,400 3.414,401 0.522,402 7.161,403 2.435,404 3.664,405 2.636,406 5.397,407 3.425,408 2.442,409 2.758,410 0.521,411 7.041,412 2.37,413 3.515,414 2.542,415 5.08,416 3.003,417 2.096,418 2.662,420 5.697,421 1.903,422 3.287,423 2.447,424 4.891,425 2.879,426 1.912,427 2.504,428 5.64,429 1.842,430 3.126,431 1.964,432 4.73,433 2.759,434 1.778,435 2.182,436 4.734,437 1.739,438 3.014,439 1.874,440 3.781,441 2.393,442 1.398,443 1.988,444 3.059,445 1.39,446 2.759,447 1.517,448 3.714,449 2.227,450 1.256,451 1.698,452 2.893,453 1.217,454 2.591,455 1.416,456 3.481,457 2.086,458 1.101,459 1.583,460 2.548,461 1.083,462 2.529,463 3.414,464 2.5,465 1.146,466 3.369,467 2,468 1,469 1.5,470 2.136,471 1,472 2.5,473 1,474 3.247,475 1.967,476 1,477 1.192,479 2.136,480 0.965,481 2.26,482 1,483 3.247,484 1.752,485 0.799,486 1,488 0.76,489 16.333,490 0.48,491 0.602,492 0.018,493 47.5,494 1.397,495 25,496 0.735,497 22.5,498 0.662,499 0.826,500 0.568,501 39.141,502 1.151,503 9.58,504 0.282,505 0.211,506 0.055,510 0.875,511 0.776,512 1.09,513 0.515,514 0.951,515 1.303,516 0.916,517 0.962,518 0.84,519 0.603,520 0.851,521 1.075,522 1.009,523 1.006,524 1.009,525 0.755,526 0.979,527 0.823,528 0.892,529 0.716,530 0.864,531 0.978,532 0.919,533 0.732,534 0.834,535 0.704,536 1.245,537 1.132,538 1.019,539 1.012,540 1.582,541 0.984,542 1.211,543 1.071,544 1.126,545 1.09,546 1.499,547 1.097,548 1.224,549 1.124,550 1.124,551 1.696,552 1.123,553 4.5,554 0.152,555 2.889,556 2.583,557 2.274,558 1.407,559 0.714,560 0.638,561 0.413,562 0.153,563 34633,564 2.163,565 44.3,567 25,568 1,569 1,573 1.773,574 2.082,575 3.244,576 -0.817,581 1.429,582 3.354,583 5.099,584 5.197,585 2.667,586 5.054,587 3.45,588 1935.69,589 8.942,590 28516,595 1.166,596 0.118,597 0.005,598 0.056,599 0.049,600 0.04,601 0.021,602 0.01,603 0.01,604 0.007,605 0.004,606 0.319,607 0.17,608 0.88,609 0.54,610 177.156,611 0.031,612 0.08,613 -0.105,614 -0.101,615 0.199,616 -0.023,617 0.101,618 -0.036,619 0.06,620 -0.05,621 -0.056,622 -0.029,623 -0.02,624 -0.049,625 0.112,626 0.038,627 0.153,628 0.078,629 0.138,630 0.112,631 0.078,632 0.138,633 0.239,634 0.219,635 0.162,636 0.245,637 -0.122,638 -0.02,639 -0.096,640 -0.067,641 -0.036,642 -0.072,643 -0.028,644 -0.033,645 -0.169,646 -0.123,647 -0.046,648 -0.154,649 -0.117,650 -0.142,651 -0.141,652 -0.152,653 -0.19,654 -0.149,655 4.362,656 0.824,657 33.824,658 0.993,659 1.119,660 4.021,661 16.17,662 0.686,663 3.664,664 3.97,665 4.29,666 4.625,667 4.898,668 5.043,669 5.236,670 5.407,671 5.517,672 5.541,673 6.338,674 0.649,675 3.664,676 5.198,677 6.061,678 6.95,679 7.843,680 8.749,681 9.658,682 10.575,683 11.494,684 12.418,685 8.2,686 2,691 1,692 2,696 13,698 1,700 7,701 1,702 22,703 1,713 24,714 2,715 38,717 28,718 20,719 2,720 10,721 1,723 5,724 5,732 1,733 21,734 6,735 1,740 1,741 1,746 1,747 27,748 5,750 6,753 5,754 1,757 1,758 1,761 1,762 2,763 3,771 2,772 5,776 1,778 5.336}
{0 CHEMBL1370681,1 4.557,2 -0.099,3 0.105,4 4.472,5 2.95,6 374.37,7 3.877,8 14.672,9 18.27,10 -0.466,11 1.16,12 4.254,13 5.139,14 17.223,15 18.763,16 20.276,17 21.814,18 23.343,19 3.22,20 3.273,21 1.259,22 94.6,23 0.058,24 3.672,25 4.85,26 4.057,27 1.107,28 51.188,29 12.774,30 2.443,31 0.717,32 233.482,33 2.694,34 1.062,35 4.175,36 5.031,37 3.511,38 3.5,39 1.6,40 489.558,41 728.32,42 454,43 3.767,44 3.833,45 4.33,46 4.44,47 4.483,48 4.63,49 4.248,50 4.206,52 1,53 15.797,54 15.797,55 15.797,56 15.797,57 15.797,58 14.034,59 9.105,60 16.607,61 9.868,62 9.615,63 4.273,64 466,65 0.583,66 0.481,67 -0.486,68 -0.66,69 -1.261,70 -2.413,71 18.416,72 28.876,73 1.041,74 5746,75 77.957,76 4.134,77 199.421,78 4.512,79 0.032,81 38,82 39,83 3,84 2.015,85 197.905,86 3.436,87 105.342,88 40.313,89 43.68,90 6.047,91 -0.486,92 8.459,93 -1.261,94 10.981,95 -2.413,96 13.565,97 16.189,98 18.836,99 5994,100 5.752,101 3.277,102 2.978,103 2.533,104 2.566,105 0.281,106 0.165,107 0.132,108 0.147,109 0.114,110 1.597,111 1.567,112 1.796,113 1.772,114 1.327,115 1.113,116 25.927,117 77.957,118 161.647,119 173.157,120 175.911,121 175.911,122 11.631,123 6.902,124 6.651,125 5.465,126 11.241,127 8.598,128 4.627,129 2.97,130 2.203,131 0.221,132 0.762,133 0.848,134 -0.095,135 6.098,136 1,137 5.565,138 0.321,139 0.14,140 6,141 3.263,142 1.721,143 0.792,144 1.597,145 -1.27,146 139.995,147 -0.017,148 5.094,149 8.173,150 3.476,151 7,152 11.175,153 14.188,154 2.052,155 9.24,156 3.371,157 11.366,158 82.342,159 9.852,160 0.462,161 3.688,162 3.316,163 5.038,164 3.318,165 4.061,166 3.62,167 6.223,168 3.647,169 4.035,170 3.712,171 6.082,172 3.711,173 4.484,174 4.626,175 4.033,176 3.672,177 5.948,178 3.69,179 4.468,180 4.599,181 3.664,182 6.209,183 3.708,184 4.523,185 4.643,186 3.63,187 6.596,188 3.69,189 4.521,190 4.685,191 3.81,192 3.465,193 6.167,194 3.539,195 4.33,196 4.532,197 3.186,198 5.908,199 3.266,200 0.293,201 0.767,202 5.602,203 63.513,204 3.456,205 1.173,206 1.486,207 6.349,208 204.082,209 5.792,210 1.013,211 1.248,212 17.556,213 7.149,214 146.638,215 6.936,216 1.087,217 1.271,218 17.064,219 7.145,220 193.324,221 5.615,222 1.043,223 1.436,224 19.602,225 7.466,226 186.457,227 6.548,228 1.465,229 1.435,230 21.187,231 8.033,232 280.18,233 6.873,234 1.488,235 1.423,236 20.749,237 7.501,238 262.236,239 5.214,240 1.26,241 1.089,242 5.766,243 206.125,244 4.44,245 58,246 38,247 0.367,248 0.66,249 0.762,250 0.816,251 0.829,252 0.829,253 3.267,254 0.992,255 -3.78,256 -3.75,257 -3.56,259 39.5,261 1,263 1,264 1,266 1,268 6,269 1,271 2,274 1,280 1,287 6,288 3,289 5,294 7,295 4,296 4,301 5,303 5,309 2,310 4,313 4,314 6,317 2,320 5,323 2,326 6,328 2,331 4,334 1,335 931,336 11.074,337 12.752,338 12.752,339 12.752,340 12.752,341 12.752,342 14.031,343 3.196,344 1.564,345 0.994,346 0.691,347 0.619,348 0.619,349 3.92,352 1,353 1,355 174.925,358 1.37,359 62.82,361 1,362 1,363 1,364 1,365 0.6,366 0.5,367 1,368 0.87,369 59.5,370 231,371 4.864,372 5.248,373 7.316,374 4.292,375 3.435,376 4.716,377 3.825,378 12.514,379 2.973,380 4.445,381 4.46,382 7.102,383 4.101,384 3.262,385 3.948,386 11.65,387 2.742,388 4.13,389 6.142,390 3.767,391 2.799,392 3.535,393 9.071,394 2.649,395 3.627,396 2.943,397 5.082,398 3.292,399 2.314,400 2.857,401 0.286,402 6.01,403 2.233,404 3.471,405 2.667,406 4.924,407 2.947,408 2.009,409 2.786,411 5.687,412 1.871,413 3.049,414 2.025,415 4.499,416 2.542,417 1.6,418 2.262,420 4.106,421 1.485,422 2.724,423 1.679,424 4.316,425 2.219,426 1.319,427 1.791,428 3.991,429 1.167,430 2.53,431 1.461,432 3.495,433 2.006,434 1.042,435 1.544,436 2.587,437 1,438 2.5,439 1.116,440 3.333,441 2,442 1,443 1.5,444 2.136,445 0.998,446 1.832,447 1,448 3.247,449 1.638,450 0.711,451 0.758,452 1.442,453 0.649,454 1.452,455 0.991,456 2.845,457 1.073,458 0.129,459 0.153,460 0.184,461 0.118,462 1,463 2.766,464 0.926,465 0.51,466 2.506,467 0.27,468 -0.647,469 -0.876,470 -2.066,471 -0.585,472 0.785,473 0.51,474 2.427,475 0.048,476 -0.907,477 -1,479 -2.347,480 -0.7,481 0.56,482 -0.083,483 2,485 -1,486 -1,488 -0.7,489 11.324,490 0.453,491 0.955,492 0.038,493 32.5,494 1.3,495 16.5,496 0.66,497 16,498 0.64,499 0.737,500 0.76,501 29.145,502 1.166,503 6.6,504 0.264,505 0.201,506 0.208,507 0.118,508 3,510 0.576,511 0.73,512 1.29,513 0.646,514 0.982,515 0.536,516 0.794,517 0.847,518 1.084,519 0.481,520 0.936,521 0.72,522 0.947,523 0.929,524 0.95,525 1.165,526 0.978,527 1.046,528 0.965,529 1.213,530 0.967,531 0.646,532 1.006,533 0.754,534 0.782,535 0.863,536 0.792,537 1.26,538 1.117,539 1.277,540 0.773,541 1.023,542 1.796,543 1.415,544 1.388,545 1.036,546 1.812,547 1.098,548 1.762,549 1.264,550 1.276,551 1.686,552 0.989,553 8,554 0.037,555 3.778,556 1.625,557 1.6,558 1.931,559 0.632,560 0.385,561 0.385,562 0.141,563 26895,564 1.888,565 34.2,567 11,571 2,573 1.688,574 1.705,575 3.119,576 -0.593,577 1,578 1,581 2.052,582 3.684,583 4.629,584 4.629,585 2.649,586 4.611,587 3.301,588 990.408,589 8.022,590 11856.1,591 1,592 1,593 1,594 1,595 1.791,596 0.308,597 0.004,598 0.099,599 0.043,600 0.046,601 0.047,602 0.015,603 0.013,604 0.018,605 0.009,606 0.602,607 0.33,608 1,609 1.735,610 118.756,612 0.151,613 -0.09,614 0.335,615 0.214,616 0.091,617 -0.015,618 0.349,619 0.001,620 0.065,621 -0.017,622 0.044,623 0.005,624 0.008,625 -0.287,626 -0.095,627 -0.093,628 0.024,629 -0.29,630 -0.031,631 0.213,632 -0.084,633 0.324,634 -0.074,635 0.1,636 0.094,637 0.288,638 -0.147,639 -0.017,640 -0.169,641 0.389,642 -0.091,643 -0.509,644 -0.162,645 -0.418,646 -0.092,647 -0.447,648 -0.187,649 -0.484,650 -0.023,651 -0.343,652 -0.003,653 -0.416,654 -0.057,655 5.215,656 0.48,657 21.21,658 1.061,659 1.149,660 2.553,661 6.519,662 0.674,663 3.296,664 3.664,665 3.807,666 3.951,667 4.277,668 4.357,669 4.407,670 4.394,671 4.331,672 4.205,673 5.559,674 0.682,675 3.296,676 4.86,677 5.68,678 6.569,679 7.426,680 8.318,681 9.191,682 10.086,683 10.967,684 11.865,685 5.3,693 2,696 6,697 2,700 4,702 12,713 15,714 1,715 26,717 15,718 10,719 1,720 5,723 2,724 2,727 1,730 1,731 1,733 11,734 4,735 3,737 1,738 3,742 1,743 1,744 1,745 3,747 13,748 9,750 10,751 1,753 2,757 1,758 4,760 1,763 2,770 1,772 2,774 1,776 1,778 6.025}
{0 CHEMBL1417204,1 4.236,2 -0.015,3 0.078,4 3.082,5 1.661,6 251.25,7 2.875,8 5.379,9 6.533,10 -0.803,11 0.914,12 3.36,13 5.051,14 15.68,15 17.158,16 18.42,17 19.852,18 21.159,19 2.92,20 2.957,21 1.089,22 62.89,23 0.043,24 2.885,25 3.353,26 3.916,27 0.866,28 33.822,29 11.873,31 0.655,32 181.832,33 2.516,34 0.847,35 2.935,36 3.009,37 3.339,38 3.349,39 1.442,40 315.153,41 445.93,42 294,43 3.435,44 3.511,45 3.836,46 3.924,47 4.04,48 4.197,49 3.127,50 2.183,51 1,52 8,53 12.69,54 12.69,55 12.69,56 12.69,57 12.69,58 10.636,59 7.72,60 12.716,61 6.774,62 9.352,63 3.659,64 345,65 -0.474,66 0.205,67 -0.794,68 -1.184,69 -2,70 -3.079,71 8.887,72 18.7,73 0.755,74 3320,75 42.718,76 3.616,77 134.606,78 4.178,79 0.014,81 28,82 29,83 1,84 1.575,85 105.94,86 3.195,87 74.711,88 28.618,89 30.787,90 4.369,91 -0.794,92 6.052,93 -2,94 7.841,95 -3.079,96 9.69,97 11.572,98 13.471,99 3359,100 4.972,101 3.099,102 2.813,103 2.313,104 2.356,105 0.301,106 0.192,107 0.142,108 0.131,109 0.143,110 1.387,111 1.379,112 1.678,113 1.582,114 1.133,115 1.123,116 20.273,117 42.718,118 94.077,119 118.606,120 124.606,121 124.606,122 9.165,123 5.467,124 5.355,125 4.485,126 9.165,127 5.525,128 2.413,129 1.488,130 0.928,131 0.27,132 0.576,133 1.114,134 0.218,135 2.496,137 3.827,138 0.321,139 0.157,140 2,141 3.014,142 1.437,143 0.321,144 1.412,146 73.547,147 0.025,148 4.35,149 7.342,150 2.946,151 8,152 10.164,153 12.932,154 1.526,155 8.789,156 3.719,157 13.831,158 72.522,159 8.973,160 0.6,161 3.151,162 3.094,163 4.815,164 3.088,165 3.432,166 3.405,167 5.383,168 3.389,169 3.426,170 3.439,171 5.428,172 3.406,173 3.979,174 4.142,175 3.251,176 3.211,177 5.446,178 3.201,179 3.655,180 3.77,181 2.975,182 5.315,183 3.01,184 3.472,185 3.564,186 2.876,187 5.046,188 2.886,189 3.44,190 3.545,191 2.94,192 2.912,193 4.83,194 2.894,195 3.621,196 3.774,197 2.913,198 5.312,199 2.871,200 0.118,201 0.327,202 3.277,203 8.401,204 2.375,205 0.167,206 0.476,207 3.523,208 40.845,209 3.764,210 0.161,211 0.621,212 9.153,213 4.629,214 26.123,215 5.356,216 0.29,217 0.569,218 10.316,219 4.354,220 64.273,221 4.435,222 0.199,223 0.395,224 6.438,225 2.915,226 40.575,227 2.602,228 0.173,229 0.318,230 4.786,231 2.387,232 40.945,233 1.946,234 0.118,235 0.324,236 4.002,237 2.336,238 18.519,239 2.436,240 0.288,241 0.394,242 3.034,243 68.767,244 3.52,245 11,246 26,247 0.287,248 0.494,249 0.631,250 0.796,251 0.836,252 0.836,253 3.009,254 0.829,255 -4.83,256 -4.74,257 -4.45,259 53.6,267 2,268 9,269 2,279 1,285 2,287 12,288 1,289 4,294 14,296 9,301 11,303 9,309 7,314 3,317 8,319 1,320 2,323 8,325 2,326 4,328 6,331 6,334 3,335 414,336 9.586,337 9.862,338 9.862,339 9.862,340 9.862,341 9.862,342 9.876,343 3.282,344 2.181,345 1.447,346 0.571,347 0.357,348 0.357,349 3.667,353 1,355 135.209,358 1.296,359 24.14,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 41.5,370 167,371 4.345,372 3.782,373 6.023,374 3.836,375 2.835,376 4.01,377 2.612,378 8.569,379 2.859,380 4.211,381 3.707,382 5.972,383 3.766,384 2.765,385 3.745,386 8.438,387 2.741,388 3.884,389 5.238,390 3.27,391 2.283,392 3.316,393 6.525,394 2.251,395 3.445,396 2.197,397 4.289,398 2.825,399 1.805,400 2.698,402 4.194,403 1.836,404 3.088,405 1.955,406 3.778,407 2.388,408 1.389,409 2.178,411 3.079,412 1.388,413 2.787,414 1.324,415 3.485,416 2.139,417 1.128,418 1.718,420 2.622,421 1.139,422 2.584,423 1.253,424 3.435,425 2,426 1,427 1.583,428 2.323,429 1,430 2.5,431 1.11,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 2.435,439 1,440 2.939,441 1.464,442 0.426,443 0.801,444 0.974,445 0.44,446 1,447 1,448 2.236,449 0.448,450 -0.561,451 -0.75,452 -1.342,453 -0.564,454 0.882,455 0.241,456 2,457 0.28,458 -0.748,459 -1.072,460 -1.613,461 -0.753,462 0.751,463 1.679,464 0.666,465 -0.563,466 1.555,468 -1,469 -1.5,470 -2.18,471 -1,472 0.5,473 -0.897,474 1.442,476 -1,477 -1.706,479 -2.347,480 -1,481 0.256,482 -1,483 1.328,484 -0.17,485 -1.205,486 -2,488 -1.246,489 8.9,490 0.468,491 0.421,492 0.022,493 29.5,494 1.553,495 18.5,496 0.974,497 11,498 0.579,499 0.468,500 0.668,501 19.886,502 1.047,503 6.156,504 0.324,505 0.158,506 0.112,510 0.28,511 0.589,512 0.756,513 0.498,514 0.766,515 0.456,516 1.053,517 0.782,518 1.057,519 0.452,520 1.026,521 1.081,522 0.868,523 1.103,524 1.054,525 1.332,526 0.97,527 1.093,528 0.955,529 1.368,530 0.958,531 1.535,532 0.929,533 0.993,534 1.506,535 0.83,536 1.571,537 0.924,538 1.203,539 0.921,540 1.589,541 0.958,542 0.726,543 1.116,544 0.978,545 1.16,546 0.864,547 1.153,548 0.496,549 1.118,550 0.962,551 0.492,552 1.158,553 3.5,554 0.037,555 2,556 0.938,557 0.693,558 0.535,559 0.184,560 0.16,561 0.131,562 0.081,563 12143,564 1.995,565 32.1,567 9,573 1.598,574 1.869,575 3.165,576 -0.776,578 1,580 1,581 1.526,582 2.627,583 4.45,584 4.45,585 2.524,586 4.224,587 3.281,588 560.97,589 7.169,590 5706.77,591 1,592 1,594 1,595 1.384,596 0.175,597 0.006,598 0.077,599 0.038,600 0.035,601 0.03,602 0.012,603 0.011,604 0.009,605 0.008,606 0.4,607 0.5,608 1,609 0.868,610 83.817,611 0.261,612 0.041,613 0.111,614 0.177,615 -0.146,616 -0.068,617 -0.153,618 0.184,619 -0.174,620 -0.127,621 0.055,622 -0.142,623 0.072,624 -0.056,625 -0.204,626 -0.007,627 -0.024,628 0.041,629 -0.22,630 0.055,631 -0.262,632 0.024,633 -0.031,634 0.039,635 -0.193,636 0.065,637 -0.349,638 -0.003,639 -0.333,640 0.015,641 -0.309,642 -0.114,643 0.059,644 -0.177,645 -0.179,646 -0.246,647 -0.091,648 -0.28,649 0.44,650 -0.172,651 0.051,652 -0.13,653 0.448,654 -0.146,655 4.729,656 0.632,657 12.831,658 1.022,659 1.1,660 3.603,661 12.98,662 0.729,663 3.045,664 3.296,665 3.466,666 3.584,667 3.738,668 3.555,669 3.584,670 3.466,671 3.497,672 3.497,673 5.376,674 0.724,675 3.045,676 4.533,677 5.333,678 6.159,679 6.976,680 7.803,681 8.626,682 9.453,683 10.277,684 11.104,685 3.6,694 1,696 9,700 3,702 12,704 1,709 1,713 16,714 2,715 20,717 15,718 12,719 3,720 9,721 1,723 2,724 2,732 2,733 13,735 3,736 1,738 3,742 1,744 1,747 9,748 3,750 4,753 1,757 1,758 3,763 2,766 2,772 2,778 6.516}
{0 CHEMBL1425137,1 3.71,2 -0.072,3 0.101,4 4.062,5 1.853,6 253.75,7 2.979,8 13.954,9 8.921,10 -1,11 1.307,12 3.479,13 4.229,14 14.631,15 16.035,16 17.186,17 18.553,18 19.742,19 2.874,20 3.009,21 1.208,22 46.17,23 0.062,24 2.659,25 3.953,26 3.837,27 1.107,28 38.062,29 11.064,30 0.671,31 0.913,32 266.005,33 2.611,34 1.062,35 3.108,36 4.223,37 3.009,38 3.06,39 1.239,40 230.566,41 332.04,42 213,43 3.54,44 3.659,45 4.067,46 4.244,47 4.353,48 4.521,49 3.353,50 3.164,51 1,52 2,53 10.438,54 10.438,55 10.438,56 10.438,57 10.438,58 9.465,59 6.075,60 10.53,61 6.798,62 18.07,63 2.87,64 240,65 -1,67 -1,68 -1.5,69 -3,70 -4.789,71 14.507,72 19.319,73 1.276,74 1987,75 52.359,76 3.169,77 166.465,78 3.94,79 0.165,81 33,82 33,83 2,84 1.846,85 176.567,86 2.762,87 60.732,88 33.149,89 37.183,90 4.428,91 -1,92 6.16,93 -3,94 8.027,95 -4.789,96 9.959,97 11.919,98 13.892,99 2186,100 5.371,101 2.812,102 2.715,103 2.419,104 2.472,105 0.423,106 0.257,107 0.198,108 0.159,109 0.198,110 1.397,111 1.365,112 1.62,113 1.606,114 0.88,115 1.181,116 20.493,117 52.359,118 114.816,119 122.426,120 125.181,121 125.181,122 7.82,123 5.355,124 5.021,125 4.268,126 8.109,127 5.801,128 2.637,129 1.608,130 0.744,131 0.242,132 1.031,133 1.475,134 -0.038,135 2.491,137 4.437,138 0.324,139 0.136,140 4,141 2.805,142 1.515,143 0.685,144 1.308,146 103.272,147 -0.001,148 4.227,149 6.93,150 2.492,151 5,152 9.515,153 12.075,154 1.587,155 7.294,156 2.926,157 8.56,158 67.202,159 7.689,160 0.353,161 3.105,162 3.107,163 4.67,164 3.053,165 3.503,166 3.482,167 5.166,168 3.405,169 3.71,170 3.588,171 5.72,172 3.505,173 4.501,174 4.769,175 3.529,176 3.504,177 5.747,178 3.363,179 4.16,180 4.362,181 3.312,182 5.452,183 3.198,184 3.981,185 4.163,186 3.094,187 5.357,188 3.026,189 3.783,190 4.005,191 2.879,192 3.04,193 4.897,194 2.911,195 3.672,196 3.863,197 2.98,198 4.725,199 2.807,200 0.02,201 0.425,202 6.555,203 6.682,204 4.159,205 0.118,206 0.651,207 5.418,208 27.718,209 7.222,210 0.339,211 0.803,212 20.075,213 6.479,214 56.172,215 8.452,216 0.523,217 0.781,218 26.782,219 7.575,220 107.56,221 10.127,222 0.287,223 0.538,224 24.94,225 5.828,226 49.162,227 7.215,228 0.365,229 0.485,230 15.812,231 3.765,232 63.625,233 4.497,234 0.145,235 0.418,236 12.623,237 4.161,238 29.597,239 5.418,240 0.07,241 0.422,242 3.794,243 16.847,244 5.063,245 42,246 24,247 0.302,248 0.596,249 0.663,250 0.707,251 0.723,252 0.723,253 2.906,254 1.024,255 -3.66,256 -3.63,257 -3.46,259 39.4,260 3,262 1,265 1,268 5,278 1,280 1,287 7,289 1,291 1,293 2,294 7,296 5,300 3,301 3,302 1,303 3,305 1,307 2,309 3,312 3,314 3,317 4,320 2,323 9,326 1,328 7,334 3,335 314,336 13.044,337 8.325,338 8.325,339 8.325,340 8.325,341 8.325,342 8.508,343 3.458,344 1.915,345 1.565,346 1.335,347 1.251,348 1.251,349 3.52,350 1,353 1,355 64.666,358 1.135,359 22.773,361 1,362 1,363 1,364 1,365 1,366 1,367 1,368 1,369 36.833,370 124,371 4.466,372 4.201,373 7.197,374 4.361,375 3.359,376 3.64,377 2.696,378 11.876,379 3.358,380 3.978,381 3.598,382 5.969,383 3.671,384 2.705,385 3.457,386 8.242,387 2.591,388 3.67,389 5.325,390 3.328,391 2.36,392 2.873,393 6.786,394 2.259,395 2.939,396 2.505,397 4.443,398 2.552,399 1.561,400 2.07,401 0.053,402 3.922,403 1.524,404 2.76,405 2.126,406 3.612,407 2.306,408 1.272,409 1.724,411 2.927,412 1.303,413 2.5,414 1.519,415 3.252,416 2,417 1,418 1.5,420 2.136,421 1,422 1.825,423 1,424 3.247,425 1.286,426 0.402,427 0.5,428 0.929,429 0.286,430 1.176,431 0.492,432 2.522,433 0.754,434 -0.241,435 -0.317,436 -0.558,437 -0.225,438 0.5,439 0.034,440 2,441 0.018,442 -1,443 -1,444 -2.254,445 -0.957,446 0.479,447 -0.359,448 2,450 -1,451 -1,452 -2.347,453 -1,455 -0.834,456 1.91,458 -1,459 -1.373,460 -3,461 -1,463 1.555,465 -1,466 1.444,467 -0.326,468 -1.282,469 -1.558,470 -3.219,471 -1.035,472 -0.217,473 -1,474 1.252,475 -0.553,476 -1.455,477 -1.851,478 -0.852,479 -4.349,480 -1.537,481 -0.5,482 -1.181,483 1.189,484 -0.811,485 -1.744,486 -2,487 -1.05,488 -1.685,489 8.281,490 0.487,491 0.68,492 0.04,493 19.25,494 1.132,495 9.5,496 0.559,497 9.75,498 0.574,499 0.853,500 0.585,501 12.946,502 0.762,503 3.597,504 0.212,505 0.248,506 0.348,507 0.06,510 0.579,511 0.655,512 1.031,513 0.578,514 1.008,515 0.578,516 1.134,517 0.756,518 0.975,519 0.604,520 0.916,521 1.435,522 0.91,523 1.349,524 1.278,525 1.148,526 0.722,527 0.819,528 0.64,529 1.219,530 0.692,531 1.726,532 1,533 2.069,534 1.389,535 1.082,536 2.537,537 0.636,538 1.526,539 0.726,540 2.479,541 0.919,542 1.013,543 0.801,544 1.063,545 0.926,546 0.991,547 0.918,548 0.677,549 1.401,550 1.059,551 0.761,552 1.557,553 5,555 2.444,556 1.313,557 0.871,558 0.396,559 0.367,560 0.219,561 0.111,562 0.047,563 6196,564 1.794,565 48.5,566 9,567 6,570 1,573 1.57,574 1.606,575 2.896,576 -0.256,578 1,579 1,580 1,581 1.587,582 3.129,583 3.793,584 3.793,585 2.278,586 4.063,587 3.017,588 410.249,589 6.869,590 3763.96,592 1,594 1,595 1.792,596 0.294,598 0.102,599 0.057,600 0.046,601 0.023,602 0.028,603 0.018,604 0.014,605 0.016,606 0.598,607 0.83,608 1,609 1.973,610 70.533,611 -0.03,612 -0.002,613 -0.007,614 0.107,615 -0.033,616 0.096,617 0.04,618 0.026,619 0.09,620 -0.369,621 -0.013,622 -0.388,623 0.067,624 -0.338,625 0.068,626 0.147,627 0.196,628 0.284,629 0.075,630 0.248,631 -0.264,632 -0.113,633 -0.329,634 -0.216,635 -0.112,636 -0.094,637 -0.633,638 0.397,639 -0.368,640 0.172,641 -0.485,642 -0.083,643 -0.105,644 0.136,645 -0.048,646 0.091,647 -0.046,648 0.088,649 -0.108,650 -0.365,651 -0.384,652 -0.482,653 -0.133,654 -0.553,655 4.803,656 0.353,657 9.855,658 1.005,659 1.127,660 2.434,661 5.926,662 0.663,663 2.89,664 3.219,665 3.296,666 3.296,667 3.296,668 2.996,669 3.045,670 2.944,671 2.708,672 2.398,673 4.586,674 0.621,675 2.89,676 4.419,677 5.209,678 6.066,679 6.878,680 7.734,681 8.555,682 9.409,683 10.235,684 11.088,685 3,690 1,696 5,700 1,702 6,713 8,714 1,715 17,717 13,718 6,719 1,720 5,722 1,723 1,724 1,725 1,727 3,728 1,731 1,733 8,734 5,735 2,738 2,742 2,744 1,747 16,748 3,749 1,750 4,751 1,753 1,757 1,758 2,763 1,767 1,768 1,772 1,776 3,777 1,778 6.244}
{0 CHEMBL1429929,1 4.668,2 -0.097,3 0.105,4 4.583,5 2.95,6 388.4,7 3.877,8 16.599,9 21.099,10 -0.466,11 1.174,12 4.387,13 5.156,14 17.223,15 18.763,16 20.276,17 21.814,18 23.343,19 3.313,20 3.362,21 1.26,22 94.6,23 0.059,24 3.681,25 5.353,26 4.058,27 1.107,28 54.574,29 12.775,30 2.443,31 0.773,32 257.024,33 2.701,34 1.062,35 4.219,36 5.577,37 3.571,38 3.59,39 1.697,40 495.053,41 739.52,42 462,43 3.831,44 3.904,45 4.402,46 4.522,47 4.581,48 4.748,49 4.271,50 4.552,52 1,53 16.504,54 16.504,55 16.504,56 16.504,57 16.504,58 14.741,59 9.705,60 17.352,61 10.429,62 10.778,63 4.556,64 526,65 0.618,66 0.481,67 -0.486,68 -0.618,69 -0.871,70 -2.347,71 20.28,72 30.176,73 1.056,74 6539,75 82.301,76 4.027,77 219.66,78 4.574,79 0.018,81 41,82 42,83 3,84 2.432,85 221.447,86 3.544,87 111.457,88 43.196,89 47.095,90 6.047,91 -0.486,92 8.459,93 -0.871,94 10.981,95 -2.347,96 13.565,97 16.189,98 18.836,99 6800,100 5.772,101 3.348,102 3.1,103 2.545,104 2.582,105 0.271,106 0.159,107 0.127,108 0.142,109 0.11,110 1.604,111 1.572,112 1.815,113 1.799,114 1.43,115 1.141,116 27.453,117 82.301,118 179.885,119 191.395,120 194.15,121 194.15,122 12.131,123 7.498,124 7.248,125 5.946,126 11.741,127 9.185,128 4.705,129 3.101,130 2.238,131 0.211,132 0.747,133 0.837,134 -0.092,135 6.099,136 1,137 6.122,138 0.315,139 0.147,140 7,141 3.344,142 1.773,143 0.938,144 1.718,145 -1.186,146 151.356,147 -0.014,148 5.094,149 8.173,150 3.566,151 7,152 11.176,153 14.189,154 2.007,155 10,156 3.72,157 13.839,158 87.09,159 9.473,160 0.444,161 3.717,162 3.378,163 5.065,164 3.372,165 4.089,166 3.681,167 6.247,168 3.696,169 4.057,170 3.76,171 6.113,172 3.752,173 4.517,174 4.656,175 4.075,176 3.723,177 5.978,178 3.74,179 4.543,180 4.67,181 3.732,182 6.262,183 3.767,184 4.609,185 4.749,186 3.719,187 6.604,188 3.75,189 4.61,190 4.785,191 3.896,192 3.581,193 6.21,194 3.626,195 4.459,196 4.652,197 3.301,198 6.038,199 3.376,200 0.273,201 0.804,202 6.819,203 60.124,204 4.005,205 1.164,206 1.539,207 6.909,208 204.213,209 6.801,210 1.123,211 1.294,212 22.462,213 7.824,214 154.716,215 8.133,216 1.007,217 1.317,218 18.32,219 7.427,220 177.08,221 6.209,222 1.104,223 1.498,224 21.469,225 7.949,226 198.851,227 7.023,228 1.506,229 1.515,230 23.89,231 8.847,232 286.5,233 8.248,234 1.429,235 1.512,236 27.924,237 8.795,238 249.388,239 6.875,240 1.36,241 1.168,242 6.341,243 231.427,244 4.944,245 59,246 39,247 0.354,248 0.651,249 0.773,250 0.823,251 0.835,252 0.835,253 3.304,254 1.021,255 -4.02,256 -3.97,257 -3.76,259 39,260 1,261 1,264 2,266 1,268 6,269 1,271 2,274 1,280 1,287 6,288 3,289 6,294 7,295 4,296 4,301 5,303 6,309 3,310 4,313 4,314 6,317 2,320 7,323 2,326 8,328 2,331 4,334 1,335 1072,336 12.152,337 13.29,338 13.29,339 13.29,340 13.29,341 13.29,342 14.649,343 3.35,344 1.666,345 0.97,346 0.689,347 0.622,348 0.622,349 3.959,352 1,353 1,355 184.388,358 1.462,359 64.575,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 61.5,370 260,371 4.864,372 5.248,373 7.316,374 4.292,375 3.435,376 4.716,377 3.825,378 12.514,379 2.973,380 4.445,381 4.46,382 7.102,383 4.101,384 3.262,385 3.948,386 11.65,387 2.742,388 4.13,389 6.142,390 3.767,391 2.799,392 3.535,393 9.071,394 2.649,395 3.643,396 2.943,397 5.097,398 3.314,399 2.344,400 2.859,401 0.286,402 6.122,403 2.248,404 3.472,405 2.667,406 4.949,407 2.948,408 2.011,409 2.799,411 5.753,412 1.872,413 3.049,414 2.025,415 4.502,416 2.543,417 1.601,418 2.262,420 4.113,421 1.486,422 2.724,423 1.816,424 4.316,425 2.226,426 1.327,427 1.791,428 3.993,429 1.173,430 2.53,431 1.679,432 3.496,433 2.026,434 1.101,435 1.544,436 2.588,437 1.008,438 2.5,439 1.117,440 3.392,441 2,442 1.036,443 1.5,444 2.136,445 1,446 2.162,447 1.001,448 3.247,449 1.999,450 1,451 1.139,452 1.992,453 0.989,454 1.746,455 1,456 2.953,457 1.462,458 0.467,459 0.54,460 0.916,461 0.456,462 1,463 2.84,464 0.926,465 0.51,466 2.657,467 0.398,468 -0.568,469 -0.661,470 -1.261,471 -0.531,472 0.785,473 0.51,474 2.49,475 0.27,476 -0.648,477 -0.879,479 -2.066,480 -0.589,481 0.675,482 0.142,483 2,484 0.048,485 -0.907,486 -1,488 -0.7,489 11.824,490 0.455,491 0.955,492 0.037,493 33,494 1.269,495 16.5,496 0.635,497 16.5,498 0.635,499 0.78,500 0.736,501 29.601,502 1.138,503 6.555,504 0.252,505 0.214,506 0.199,507 0.113,508 3,510 0.565,511 0.734,512 1.296,513 0.637,514 1.003,515 0.509,516 0.837,517 0.83,518 1.144,519 0.462,520 0.995,521 0.668,522 0.911,523 0.828,524 0.834,525 1.169,526 1.02,527 1.015,528 1.001,529 1.217,530 0.96,531 0.736,532 1.02,533 0.831,534 0.897,535 0.929,536 0.747,537 1.218,538 1.01,539 1.199,540 0.747,541 0.99,542 1.684,543 1.399,544 1.498,545 1.198,546 1.688,547 1.049,548 1.848,549 1.243,550 1.297,551 1.847,552 0.995,553 8,554 0.099,555 3.778,556 1.75,557 1.6,558 1.931,559 0.713,560 0.385,561 0.385,562 0.151,563 28558,564 1.892,565 36.6,567 10,571 2,572 3,573 1.698,574 1.714,575 3.214,576 -0.608,578 1,581 2.007,582 3.692,583 4.735,584 4.735,585 2.671,586 4.666,587 3.4,588 1105.06,589 8.128,590 13655.6,591 1,592 1,594 1,595 1.767,596 0.296,597 0.008,598 0.097,599 0.045,600 0.043,601 0.046,602 0.017,603 0.012,604 0.017,605 0.008,606 0.589,607 0.33,608 1,609 1.879,610 125.793,611 0.006,612 0.153,613 -0.082,614 0.356,615 0.173,616 0.11,617 -0.072,618 0.359,619 -0.042,620 0.09,621 0.053,622 0.135,623 0.012,624 0.136,625 -0.271,626 -0.101,627 -0.072,628 0.003,629 -0.269,630 -0.035,631 0.166,632 -0.087,633 0.225,634 -0.093,635 0.055,636 0.003,637 0.318,638 -0.13,639 0.094,640 -0.102,641 0.394,642 -0.033,643 -0.42,644 -0.157,645 -0.363,646 -0.129,647 -0.343,648 -0.094,649 -0.516,650 -0.054,651 -0.381,652 -0.006,653 -0.466,654 -0.105,655 5.303,656 0.462,657 23.692,658 1.054,659 1.149,660 2.794,661 7.804,662 0.668,663 3.332,664 3.689,665 3.829,666 3.989,667 4.29,668 4.369,669 4.443,670 4.419,671 4.357,672 4.263,673 5.864,674 0.67,675 3.332,676 4.89,677 5.707,678 6.594,679 7.447,680 8.338,681 9.208,682 10.102,683 10.981,684 11.878,685 4.9,693 2,696 6,697 2,700 4,702 12,713 15,714 1,715 27,717 16,718 10,719 1,720 5,723 2,724 2,727 2,730 1,731 1,733 11,734 5,735 3,737 1,738 3,742 1,744 1,745 3,747 15,748 9,750 10,751 1,753 2,757 1,758 4,760 1,763 2,770 1,772 2,774 1,776 1,778 6.026}
{0 CHEMBL1430895,1 4.258,2 -0.122,3 0.11,4 3.742,5 2.95,6 308.33,7 3.644,8 10.537,9 7.007,10 -0.7,11 1.231,12 4.075,13 5.033,14 17.158,15 18.686,16 20.194,17 21.722,18 23.244,19 2.735,20 2.825,21 1.071,22 96.54,23 0.06,24 2.906,25 3.172,26 4.047,27 0.555,28 33.243,29 12.712,31 0.745,32 126.711,33 2.393,34 0.578,35 4.107,36 3.899,37 3.187,38 3.24,39 1.39,40 426.088,41 636.15,42 394,43 3.426,44 3.471,45 3.985,46 4.067,47 4.056,48 4.18,49 4.063,50 3.087,53 11.599,54 11.599,55 11.599,56 11.599,57 11.599,58 10.081,59 6.514,60 12.407,61 7.488,62 7.344,63 3.119,64 231,65 -0.123,66 -0.201,67 -1,68 -1,69 -3,70 -3.137,71 13.416,72 21.61,73 0.917,74 2559,75 58.586,76 2.905,77 122.211,78 4.096,79 0.015,81 26,82 27,83 2,84 1.265,85 127.278,86 2.889,87 73.956,88 28.084,89 29.935,90 5.933,91 -1,92 8.407,93 -3,94 10.957,95 -3.137,96 13.555,97 16.184,98 18.834,99 2714,100 5.526,101 2.919,102 2.494,103 2.072,104 2.083,105 0.359,106 0.213,107 0.17,108 0.191,109 0.147,110 1.443,111 1.409,112 1.574,113 1.588,114 1.258,115 0.787,116 19.104,117 58.586,118 105.947,119 110.702,120 110.702,121 110.702,122 8.677,123 4.99,124 4.648,125 3.808,126 8.814,127 7.651,128 3.84,129 2.501,130 1.639,131 0.222,132 0.806,133 0.469,134 -0.055,135 5.978,137 3.459,138 0.317,139 0.142,140 2,141 2.848,142 1.57,143 0.658,144 1.373,146 95.947,147 0.012,148 5.017,149 8.131,150 1.079,151 4,152 11.138,153 14.14,154 2.253,155 6.053,156 3.369,157 11.353,158 65.623,159 11.859,160 0.55,161 3.578,162 3.1,163 4.708,164 3.057,165 3.954,166 3.394,167 6.066,168 3.396,169 3.798,170 3.32,171 5.828,172 3.323,173 3.92,174 4.043,175 3.751,176 3.302,177 5.478,178 3.307,179 3.955,180 4.034,181 3.344,182 5.621,183 3.346,184 4.104,185 4.18,186 3.185,187 6.403,188 3.263,189 3.942,190 4.139,191 3.067,192 2.699,193 5.697,194 2.767,195 3.195,196 3.469,197 1.775,198 4.564,199 1.627,200 0.241,201 0.651,202 1.357,203 61.22,204 1.96,205 0.886,206 1.312,207 5.313,208 178.685,209 3.619,210 0.721,211 0.956,212 7.945,213 4.633,214 108.275,215 3.242,216 0.639,217 0.995,218 5.315,219 4.417,220 111.775,221 2.54,222 0.536,223 1.167,224 9.345,225 5.723,226 118.028,227 3.209,228 1.098,229 1.194,230 9.622,231 6.376,232 246.816,233 3.445,234 1.111,235 0.856,236 17.571,237 5.687,238 195.251,239 3.324,240 0.594,241 0.224,242 2.399,243 104.957,244 1.953,245 41,246 31,247 0.441,248 0.722,249 0.798,250 0.833,251 0.833,252 0.833,253 3.012,254 1.148,255 -3.65,256 -3.62,257 -3.45,259 38.5,263 1,266 1,268 3,271 2,274 1,275 1,276 1,287 1,288 2,289 2,294 2,295 4,296 2,301 2,303 1,309 1,314 5,320 2,335 356,336 7.607,337 9.887,338 9.887,339 9.887,340 9.887,341 9.887,342 11.335,343 2.447,344 1.01,345 0.626,346 0.443,347 0.443,348 0.443,349 3.649,353 1,354 50.784,355 63.663,358 0.798,359 47.032,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 45.5,370 115,371 4.824,372 5.181,373 7.186,374 4.263,375 3.404,376 4.682,377 3.825,378 11.983,379 2.935,380 4.438,381 4.459,382 7.052,383 4.065,384 3.23,385 3.949,386 11.446,387 2.683,388 4.141,389 6.139,390 3.72,391 2.803,392 3.55,393 9.054,394 2.53,395 3.466,396 2.563,397 4.909,398 2.893,399 2,400 2.827,402 5.707,403 1.763,404 2.97,405 1.995,406 4.377,407 2.427,408 1.514,409 2.151,411 4.037,412 1.366,413 2.711,414 1.623,415 4.318,416 2.188,417 1.285,418 1.772,420 3.92,421 1.14,422 2.287,423 0.849,424 3.276,425 1.727,426 0.8,427 1.184,428 1.958,429 0.728,430 2.118,431 0.655,432 3,433 1.461,434 0.618,435 0.927,436 1.372,437 0.506,438 1,439 0.618,440 2.861,441 0.305,442 -0.626,443 -0.851,444 -1.897,445 -0.57,446 0.81,447 0.51,448 2.811,449 0.27,450 -0.644,451 -0.861,452 -2.059,453 -0.583,454 0.776,455 0.51,456 2.367,458 -1,459 -1,460 -3,461 -0.7,462 0.304,463 2,464 0.057,465 -0.436,466 2,467 -0.3,468 -1,469 -1.216,470 -3,471 -0.784,473 -0.797,474 2,475 -0.3,476 -1,477 -1.543,479 -3,480 -1,482 -1,483 2,484 -0.367,485 -1.285,486 -2,488 -1.153,489 8.99,490 0.473,491 0.909,492 0.048,493 25.25,494 1.329,495 13,496 0.684,497 12.25,498 0.645,499 0.706,500 0.831,501 19.313,502 1.016,503 4.777,504 0.251,505 0.205,506 0.225,507 0.148,508 3,510 0.55,511 0.79,512 1.075,513 0.681,514 0.858,515 0.471,516 0.743,517 1.027,518 1.097,519 0.45,520 0.889,521 0.675,522 0.918,523 0.775,524 0.933,525 1.14,526 1.009,527 0.966,528 0.78,529 1.022,530 0.777,531 0.81,532 1.101,533 0.73,534 0.996,535 1.049,536 0.894,537 1.443,538 0.853,539 1.359,540 0.892,541 1.173,542 2.103,543 1.377,544 1.713,545 1.091,546 1.91,547 1.244,548 1.737,549 0.706,550 1.234,551 1.72,552 1.334,553 7,555 2.889,556 1.215,557 1.339,558 1.562,559 0.403,560 0.245,563 14097,564 1.882,565 26.9,567 6,568 1,573 1.613,574 1.676,575 2.613,576 -0.517,580 1,581 2.253,582 3.69,583 4.258,584 4.258,585 1.763,586 4.223,587 2.759,588 471.833,589 7.241,590 4728.13,592 1,594 1,595 1.871,596 0.35,598 0.093,599 0.045,600 0.051,601 0.056,602 0.015,603 0.02,606 0.631,607 0.5,608 1,609 1.091,610 80.041,611 0.008,612 0.091,613 -0.035,614 0.379,615 0.239,616 -0.081,617 -0.069,618 0.409,619 -0.004,620 0.06,621 -0.114,622 0.042,623 -0.032,624 -0.061,625 -0.318,626 -0.051,627 -0.158,628 0.104,629 -0.223,630 0.087,631 0.041,632 -0.125,633 0.25,634 -0.19,635 -0.129,636 -0.157,637 0.332,638 -0.328,639 0.199,640 -0.292,641 0.387,642 -0.268,643 -0.683,644 -0.118,645 -0.61,646 -0.092,647 -0.524,648 -0.155,649 -0.495,650 0.125,651 -0.205,652 0.281,653 -0.523,654 -0.022,655 4.696,656 0.579,657 11.856,658 1.08,659 1.151,660 2.419,661 5.854,662 0.734,663 3.045,664 3.466,665 3.584,666 3.761,667 4.007,668 4.143,669 4.111,670 3.989,671 3.611,672 3.045,673 4.232,674 0.735,675 3.045,676 4.635,677 5.46,678 6.372,679 7.232,680 8.139,681 9.012,682 9.917,683 10.796,684 11.699,685 7.7,693 2,696 4,697 2,699 1,700 4,702 11,713 13,715 20,717 10,718 8,723 2,724 2,727 1,730 1,733 8,734 2,735 2,737 1,738 2,744 1,745 3,747 7,748 7,750 9,751 2,753 2,757 1,758 2,760 1,762 1,763 1,772 2,774 2,776 1,778 6.059}
{0 CHEMBL1449204,1 4.557,2 -0.104,3 0.098,4 4.472,5 3.42,6 374.37,7 3.957,8 14.487,9 16.22,10 -0.467,11 1.358,12 4.254,13 5.196,14 17.235,15 18.777,16 20.291,17 21.831,18 23.362,19 3.237,20 3.286,21 1.167,22 94.6,23 0.053,24 3.679,25 4.85,26 4.052,27 1.107,28 51.148,29 12.781,30 2.218,31 0.788,32 233.482,33 2.693,34 1.062,35 4.171,36 5.077,37 3.52,38 3.558,39 1.66,40 492.019,41 735.96,42 458,43 3.767,44 3.833,45 4.33,46 4.439,47 4.492,48 4.643,49 4.221,50 4.206,52 1,53 15.797,54 15.797,55 15.797,56 15.797,57 15.797,58 14.034,59 9.272,60 16.617,61 9.991,62 10.112,63 4.354,64 464,65 0.51,66 0.48,67 -0.487,68 -0.66,69 -1.256,70 -2.347,71 18.537,72 28.876,73 1.041,74 5666,75 77.957,76 4.134,77 199.421,78 4.512,79 0.013,81 38,82 39,83 3,84 2.182,85 197.905,86 3.421,87 105.342,88 40.313,89 43.68,90 6.251,91 -0.487,92 8.742,93 -1.256,94 11.293,95 -2.347,96 13.873,97 16.471,98 19.084,99 5918,100 5.756,101 3.289,102 2.991,103 2.515,104 2.549,105 0.282,106 0.165,107 0.132,108 0.147,109 0.114,110 1.572,111 1.551,112 1.792,113 1.78,114 1.399,115 1.11,116 25.927,117 77.957,118 161.647,119 173.157,120 175.911,121 175.911,122 11.631,123 6.998,124 6.751,125 5.55,126 11.241,127 8.685,128 4.312,129 2.886,130 2.019,131 0.221,132 0.795,133 0.754,134 -0.095,135 6.124,136 1,137 5.565,138 0.316,139 0.156,140 6,141 3.293,142 1.751,143 0.933,144 1.684,145 -1.205,146 139.995,147 -0.017,148 5.094,149 8.173,150 3.635,151 7,152 11.18,153 14.198,154 2.052,155 9.2,156 3.685,157 13.581,158 82.541,159 9.852,160 0.462,161 3.688,162 3.316,163 5.032,164 3.318,165 4.067,166 3.611,167 6.229,168 3.642,169 4.077,170 3.671,171 6.081,172 3.695,173 4.418,174 4.54,175 4.068,176 3.643,177 6.155,178 3.679,179 4.438,180 4.561,181 3.679,182 6.036,183 3.705,184 4.551,185 4.668,186 3.627,187 6.598,188 3.701,189 4.525,190 4.689,191 3.843,192 3.42,193 6.209,194 3.529,195 4.292,196 4.45,197 3.141,198 6.272,199 3.241,200 0.293,201 0.767,202 5.602,203 63.513,204 3.456,205 1.161,206 1.477,207 6.345,208 202.401,209 5.821,210 1.09,211 1.21,212 18.06,213 6.73,214 150.555,215 6.458,216 1.091,217 1.248,218 13.218,219 6.613,220 185.172,221 5.533,222 0.88,223 1.433,224 20.921,225 7.925,226 164.096,227 6.592,228 1.542,229 1.431,230 22.148,231 8.162,232 307.527,233 6.539,234 1.521,235 1.399,236 21.126,237 7.022,238 258.875,239 4.462,240 1.535,241 0.911,242 5.084,243 230.5,244 3.947,245 58,246 38,247 0.367,248 0.66,249 0.762,250 0.816,251 0.829,252 0.829,253 3.268,254 1.002,255 -3.78,256 -3.75,257 -3.56,259 39.5,260 1,264 2,266 1,268 6,269 1,271 2,274 1,280 1,287 6,288 3,289 4,294 7,295 4,296 2,301 5,302 4,303 4,309 2,310 4,314 8,320 11,326 6,331 4,334 2,335 920,336 11.417,337 12.816,338 12.816,339 12.816,340 12.816,341 12.816,342 14.165,343 3.196,344 1.564,345 0.994,346 0.691,347 0.619,348 0.619,349 3.92,352 1,353 1,355 174.644,358 1.328,359 63.465,361 1,362 1,363 1,364 1,365 0.6,366 0.5,367 1,368 0.87,369 59.5,370 230,371 4.872,372 5.271,373 7.328,374 4.3,375 3.442,376 4.722,377 3.825,378 12.593,379 2.976,380 4.447,381 4.46,382 7.104,383 4.11,384 3.268,385 3.95,386 11.661,387 2.76,388 4.13,389 6.143,390 3.768,391 2.801,392 3.535,393 9.077,394 2.649,395 3.602,396 2.906,397 5.204,398 3.223,399 2.27,400 2.876,401 0.277,402 6.278,403 2.13,404 3.446,405 2.607,406 4.83,407 2.926,408 1.981,409 2.716,411 5.474,412 1.858,413 3.041,414 2.015,415 4.427,416 2.528,417 1.587,418 2.247,420 4.042,421 1.47,422 2.718,423 1.81,424 4.313,425 2.199,426 1.299,427 1.782,428 3.948,429 1.152,430 2.53,431 1.679,432 3.493,433 2.006,434 1.046,435 1.543,436 2.585,437 1,438 2.5,439 1.097,440 3.262,441 2,442 1,443 1.5,444 2.136,445 0.998,446 2.121,447 1,448 3.247,449 1.943,450 1,451 1.072,452 1.66,453 0.928,454 1,455 0.819,456 2.847,457 0.594,458 -0.32,459 -0.347,460 -0.639,461 -0.281,462 1,463 2.792,464 0.925,465 0.51,466 2.517,467 0.373,468 -0.636,469 -0.824,470 -1.349,471 -0.584,472 0.784,473 0.365,474 2.45,475 0.268,476 -0.668,477 -0.928,479 -2.076,480 -0.651,481 0.639,482 -0.053,483 2,484 0.048,485 -0.907,486 -1,488 -0.7,489 11.324,490 0.453,491 0.955,492 0.038,493 32.5,494 1.3,495 16.5,496 0.66,497 16,498 0.64,499 0.741,500 0.76,501 29.25,502 1.17,503 6.555,504 0.262,505 0.203,506 0.208,507 0.118,508 3,510 0.576,511 0.73,512 1.29,513 0.651,514 0.982,515 0.525,516 0.82,517 0.835,518 1.128,519 0.477,520 0.965,521 0.666,522 0.768,523 0.79,524 0.807,525 0.918,526 1.028,527 0.863,528 0.913,529 0.935,530 0.911,531 0.751,532 1.032,533 1.014,534 0.965,535 0.962,536 0.991,537 1.285,538 1.171,539 1.279,540 0.967,541 1.007,542 1.911,543 1.398,544 1.404,545 0.966,546 1.885,547 0.987,548 1.291,549 1.037,550 1.117,551 1.263,552 0.956,553 8,554 0.033,555 3.556,556 2,557 1.6,558 1.819,559 0.654,560 0.547,561 0.291,562 0.12,563 25847,564 1.888,565 34.2,567 10,572 3,573 1.689,574 1.705,575 3.105,576 -0.593,578 1,581 2.052,582 3.684,583 4.629,584 4.629,585 2.613,586 4.612,587 3.277,588 982.995,589 8.026,590 11717.6,591 1,592 1,593 1,594 1,595 1.791,596 0.308,597 0.004,598 0.094,599 0.053,600 0.042,601 0.045,602 0.016,603 0.018,604 0.013,605 0.009,606 0.601,607 0.33,608 1,609 1.735,610 118.457,612 0.151,613 -0.09,614 0.346,615 0.188,616 0.103,617 -0.061,618 0.35,619 -0.029,620 0.09,621 0.137,622 0.126,623 -0.027,624 0.137,625 -0.028,626 -0.096,627 0.01,628 0.049,629 -0.01,630 -0.012,631 0.095,632 -0.072,633 0.173,634 -0.151,635 -0.067,636 0.017,637 0.124,638 -0.206,639 -0.069,640 -0.179,641 0.264,642 -0.078,643 -0.578,644 -0.141,645 -0.426,646 -0.048,647 -0.488,648 -0.117,649 0.053,650 0.128,651 -0.216,652 0.07,653 0.046,654 -0.097,655 5.187,656 0.48,657 20.752,658 1.061,659 1.149,660 2.553,661 6.519,662 0.674,663 3.296,664 3.664,665 3.807,666 4.007,667 4.263,668 4.357,669 4.431,670 4.431,671 4.317,672 4.22,673 5.479,674 0.682,675 3.296,676 4.86,677 5.68,678 6.578,679 7.432,680 8.334,681 9.203,682 10.107,683 10.985,684 11.89,685 5.3,693 2,696 6,697 2,700 4,702 12,713 15,714 1,715 26,717 15,718 10,719 1,720 5,723 2,724 2,727 2,730 1,733 11,734 4,735 3,737 1,738 3,742 1,743 1,744 1,745 3,747 13,748 9,750 10,751 1,753 2,757 1,758 4,760 1,763 2,770 1,772 2,774 1,776 1,778 5.6}
{0 CHEMBL1452646,1 5.037,2 -0.024,3 0.082,4 3.873,5 1.631,6 469.53,7 2.853,8 19.868,9 26.427,10 1.117,11 0.821,12 4.295,13 5.727,14 16.817,15 18.334,16 19.772,17 21.276,18 22.746,19 3.55,20 3.565,21 1.277,22 92.95,23 0.044,24 3.632,25 5.018,26 4.039,27 1.502,28 52.408,29 12.621,30 1.2,31 0.803,32 366.677,33 3.155,34 1.512,35 4.09,36 7.199,37 3.794,38 3.83,39 1.739,40 563.29,41 829.06,42 531,43 4.178,44 4.271,45 4.709,46 4.849,47 4.953,48 5.134,49 4.194,50 5.209,52 10,53 24.051,54 24.051,55 24.051,56 24.051,57 24.051,58 21.194,59 14.292,60 24.378,61 14.826,62 15.674,63 6.775,64 1096,65 1.431,66 2.121,67 1.125,68 1.5,69 2.696,70 1.995,71 27.164,72 36.433,73 1.312,74 20412,75 90.974,76 4.615,77 339.763,78 5.076,79 0.113,81 58,82 62,83 3,84 3.468,85 270.735,86 4.656,87 171.525,88 58.778,89 64.694,90 3.819,91 1.125,92 5.001,93 2.696,94 6.287,95 1.995,96 7.633,97 9.015,98 10.422,99 18836,100 5.603,101 3.613,102 3.401,103 2.941,104 2.91,105 0.172,106 0.107,107 0.081,108 0.053,109 0.08,110 1.786,111 1.728,112 1.939,113 1.957,114 1.5,115 1.54,116 38.906,117 90.974,118 249.134,119 292.153,120 309.763,121 309.763,122 17.097,123 11.151,124 10.972,125 9.014,126 17.097,127 11.329,128 5.984,129 4.112,130 2.734,131 0.324,132 0.807,133 0.972,134 -0.22,135 2.249,136 2,137 6.71,138 0.347,139 0.186,140 6,141 3.593,142 1.969,143 1.06,144 1.696,145 1.115,146 198.663,147 -0.021,148 4.966,149 8.036,150 3.965,151 9,152 10.964,153 13.882,154 1.569,155 14.143,156 3.574,157 12.774,158 127.006,159 8.095,160 0.564,161 3.82,162 3.736,163 5.346,164 3.741,165 4.179,166 4.113,167 5.885,168 4.105,169 4.249,170 4.242,171 6.129,172 4.206,173 4.992,174 5.16,175 4.221,176 4.204,177 6.219,178 4.181,179 5.006,180 5.185,181 4.158,182 6.298,183 4.135,184 4.905,185 5.085,186 4.142,187 6.039,188 4.094,189 4.885,190 5.07,191 4.047,192 4.077,193 6.155,194 4.032,195 4.801,196 4.988,197 3.979,198 6.081,199 3.931,200 0.072,201 0.802,202 9.758,203 10.147,204 6.017,205 0.46,206 1.341,207 8.274,208 32.226,209 9.851,210 0.719,211 1.651,212 28.578,213 11.027,214 66.393,215 13.752,216 0.572,217 1.619,218 30.173,219 11.643,220 95.578,221 13.479,222 1.043,223 1.579,224 33.194,225 11.565,226 131.111,227 13.367,228 0.597,229 1.468,230 28.356,231 11.218,232 56.798,233 13.454,234 0.601,235 1.443,236 28.102,237 10.738,238 100.756,239 12.916,240 0.77,241 1.32,242 9.809,243 92.174,244 11.935,245 10,246 54,247 0.251,248 0.548,249 0.687,250 0.806,251 0.855,252 0.855,253 3.588,254 0.871,255 -3.48,256 -3.45,257 -3.3,259 46.6,264 5,268 12,269 3,271 2,275 1,276 1,280 3,287 13,288 3,289 8,294 13,295 5,296 11,301 11,303 7,309 9,310 6,313 2,314 11,317 10,319 1,320 7,323 8,325 5,326 10,328 4,330 1,331 10,334 1,335 2322,336 14.43,337 19.243,338 19.243,339 19.243,340 19.243,341 19.243,342 19.704,343 4.289,344 2.433,345 1.563,346 0.821,347 0.517,348 0.517,349 4.295,353 1,354 112.606,355 427.27,357 172.313,358 2.09,359 44.769,362 1,363 0.83,364 1,365 0.6,366 0.5,367 1,368 0.85,369 76.5,370 495,371 4.603,372 3.784,373 6.704,374 4.16,375 3.173,376 4.525,377 2.082,378 10.884,379 3.129,380 4.25,381 3.693,382 6.395,383 3.968,384 2.991,385 3.74,386 9.682,387 2.925,388 4.091,389 6.093,390 3.731,391 2.761,392 3.68,393 8.865,394 2.693,395 3.955,396 2.993,397 6.017,398 3.696,399 2.708,400 3.238,401 0.616,402 8.533,403 2.642,404 3.794,405 2.661,406 5.661,407 3.382,408 2.404,409 3.093,410 0.293,411 7.399,412 2.34,413 3.5,414 2.547,415 5.241,416 3.18,417 2.212,418 2.731,419 0.106,420 6.366,421 2.132,422 3.322,423 2.213,424 4.597,425 2.82,426 1.834,427 2.715,428 4.699,429 1.806,430 3.039,431 1.975,432 4.475,433 2.628,434 1.665,435 2.201,436 4.456,437 1.595,438 2.919,439 1.878,440 4.205,441 2.472,442 1.467,443 2.116,444 3.731,445 1.459,446 2.867,447 1.817,448 3.838,449 2.42,450 1.425,451 1.892,452 3.069,453 1.416,454 2.63,455 1.701,456 3.685,457 2.194,458 1.215,459 1.688,460 2.933,461 1.181,462 2.5,463 3.575,464 2.479,465 1.155,466 3.423,467 2,468 1,469 1.447,470 2.275,471 1,472 2.251,473 1.146,474 3.414,475 1.967,476 1,477 1.114,479 2.136,480 0.965,481 2.118,482 1.034,483 3.247,484 1.762,485 0.788,486 1,488 0.762,489 16.367,490 0.468,491 0.747,492 0.021,493 47.75,494 1.364,495 24.5,496 0.7,497 23.25,498 0.664,499 0.776,500 0.628,501 40.288,502 1.151,503 9.899,504 0.283,505 0.206,506 0.061,510 0.698,511 0.677,512 1.087,513 0.527,514 0.917,515 0.844,516 1.088,517 0.88,518 0.948,519 0.582,520 0.913,521 0.93,522 0.929,523 0.933,524 0.941,525 1.351,526 1.152,527 1.089,528 1.109,529 1.611,530 1.056,531 1.429,532 0.794,533 1.09,534 1.402,535 0.878,536 1.141,537 0.968,538 1.045,539 1.018,540 0.916,541 1.02,542 1.177,543 1.085,544 1.066,545 1.074,546 1.33,547 1.054,548 1.063,549 0.931,550 1.046,551 1.364,552 1.006,553 5.5,554 0.152,555 4.444,556 2.09,557 1.76,558 1.264,559 0.74,560 0.489,561 0.371,562 0.248,563 57644,564 2.141,565 39.7,567 22,568 1,573 1.765,574 2.039,575 3.755,576 -0.765,578 1,581 1.569,582 3.425,583 5.341,584 5.341,585 3.223,586 5.101,587 3.963,588 2358.07,589 8.943,590 37928.6,595 1.271,596 0.141,597 0.005,598 0.082,599 0.037,600 0.033,601 0.025,602 0.016,603 0.011,604 0.009,605 0.007,606 0.366,607 0.33,608 0.75,609 0.45,610 191.489,611 -0.026,612 0.062,613 -0.099,614 0.041,615 0.014,616 -0.023,618 0.031,619 -0.017,620 0.118,621 0.013,622 0.027,623 0.051,624 0.009,625 -0.186,626 -0.171,627 -0.108,628 -0.138,629 -0.2,630 -0.112,631 -0.042,632 0.171,633 -0.042,634 0.143,635 -0.037,636 0.063,637 -0.08,638 -0.012,639 -0.063,640 -0.024,641 -0.047,642 -0.04,643 -0.077,644 -0.123,645 -0.066,646 -0.091,647 -0.026,648 -0.079,649 0.095,650 0.035,651 -0.028,652 0.005,653 -0.015,654 -0.035,655 6.018,656 0.771,657 40.869,658 1.013,659 1.115,660 2.245,661 5.042,662 0.688,663 3.689,664 4.007,665 4.304,666 4.543,667 4.762,668 4.844,669 4.997,670 5.063,671 5.142,672 5.159,673 8.328,674 0.671,675 3.689,676 5.231,677 6.089,678 6.961,679 7.834,680 8.712,681 9.59,682 10.471,683 11.353,684 12.236,685 5.2,690 2,693 1,695 2,696 13,697 1,698 1,700 4,702 22,705 1,706 1,713 25,714 2,715 39,717 27,718 19,719 3,720 9,721 2,723 5,724 6,733 22,734 5,735 3,738 3,742 3,744 1,746 1,747 23,748 8,750 8,753 3,757 0.8,758 5,759 1,762 1,763 4,765 1,769 1,772 4,778 5.549}
{0 CHEMBL1481587,1 4.338,2 -0.18,3 0.132,4 3.606,6 367.52,7 3.166,8 13.833,9 19.515,10 -0.049,11 0.983,12 3.403,13 5.326,14 17.257,15 18.821,16 20.343,17 21.9,18 23.441,19 3.14,20 3.193,21 1.194,22 80.18,23 0.078,24 3.267,25 4.595,26 4.085,27 1.107,28 41.385,29 12.803,31 0.763,32 244.422,33 2.751,34 1.062,35 4.053,36 4.746,37 3.661,38 3.646,39 1.643,40 427.784,41 618.72,42 400,43 3.818,44 3.892,45 4.296,46 4.408,47 4.491,48 4.644,49 4.042,50 4.23,51 2,52 11,53 16.731,54 16.731,55 16.731,56 16.731,57 16.731,58 14.068,59 10.11,60 17.078,61 9.46,62 5.206,63 4.858,64 495,65 0.878,66 0.83,67 -0.058,68 -0.073,69 -0.155,70 -1.999,71 16.747,72 25.067,73 1.019,74 6633,75 66.552,76 4.004,77 226.477,78 4.574,79 0.034,81 42,82 44,83 2,84 2.354,85 200.109,86 3.662,87 102.096,88 41.978,89 46.079,90 5.557,91 -0.058,92 7.983,93 -0.155,94 10.413,95 -1.999,96 12.843,97 15.272,98 17.702,99 6469,100 5.7,101 3.523,102 3.052,103 2.735,104 2.715,105 0.271,106 0.16,107 0.126,108 0.125,109 0.114,110 1.856,111 1.828,112 1.93,113 1.952,114 1.537,115 1.181,116 29.04,117 66.552,118 142.91,119 182.213,120 193.722,121 195.722,122 12.044,123 7.901,124 7.454,125 6.262,126 13.273,127 10.001,128 5.935,129 4.306,130 3.275,131 0.196,132 0.69,133 0.865,134 -0.064,135 4.694,137 5.374,138 0.321,139 0.165,140 5,141 3.597,142 1.979,143 1.043,144 1.694,146 113.117,147 0.034,148 4.934,149 8.09,150 3.537,151 10,152 11.14,153 14.19,154 1.585,155 9.32,156 5.718,157 32.699,158 104.221,159 8.75,160 0.667,161 3.734,162 3.571,163 4.913,164 3.478,165 4.019,166 3.914,167 5.676,168 3.805,169 4.124,170 4.035,171 5.633,172 3.866,173 4.527,174 4.701,175 4.094,176 3.928,177 5.75,178 3.771,179 4.375,180 4.521,181 3.869,182 5.662,183 3.755,184 4.398,185 4.476,186 3.969,187 5.809,188 3.873,189 4.611,190 4.756,191 3.857,192 3.99,193 5.934,194 3.89,195 4.523,196 4.725,197 3.876,198 5.595,199 3.727,200 0.064,201 0.515,202 9.341,203 13.938,204 4.685,205 0.237,206 0.839,207 6.622,208 48.983,209 7.844,210 0.06,211 1.08,212 26.095,213 10.298,214 21.26,215 10.781,216 0.246,217 1.186,218 30.454,219 10.82,220 44.196,221 10.253,222 0.196,223 1.002,224 23.77,225 8.634,226 41.521,227 7.942,228 0.15,229 0.963,230 24.445,231 9.054,232 39.551,233 7.825,234 0.339,235 1.125,236 24.467,237 9.65,238 78.779,239 9.459,240 0.16,241 1.011,242 8.888,243 43.369,244 11.168,245 10,246 37,247 0.273,248 0.464,249 0.586,250 0.747,251 0.794,252 0.802,253 3.267,254 1.111,255 -5.93,256 -5.78,257 -5.38,259 47.6,260 1,268 14,269 2,280 1,287 15,288 3,289 2,294 19,296 8,301 13,303 14,309 5,314 12,317 17,320 6,323 22,326 2,328 22,334 15,335 1008,336 8.612,337 13.36,338 13.36,339 13.36,340 13.36,341 13.36,342 13.987,343 3.808,344 2.699,345 1.99,346 1.054,347 0.78,348 0.732,349 3.947,355 277.938,358 1.293,359 25.118,362 0.75,363 0.83,364 1,365 0.6,367 1,368 0.74,369 52.5,370 233,371 4.883,372 4.731,373 7.312,374 4.317,375 3.4,376 4.761,377 3.37,378 12.531,379 3.09,380 4.181,381 4.565,382 6.154,383 3.757,384 2.826,385 3.716,386 9.094,387 2.647,388 3.856,389 5.322,390 3.398,391 2.439,392 3.418,393 6.887,394 2.389,395 3.829,396 2.559,397 5.148,398 3.385,399 2.391,400 3.388,402 6.318,403 2.303,404 3.304,405 2.226,406 4.766,407 2.773,408 1.816,409 2.6,411 4.901,412 1.724,413 3.051,414 1.8,415 4.306,416 2.559,417 1.57,418 2.251,420 4.106,421 1.547,422 2.88,423 1.688,424 3.602,425 2.404,426 1.431,427 2.041,428 3.049,429 1.377,430 2.577,431 1.343,432 3.477,433 2,434 1.02,435 1.528,436 2.51,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,444 2.275,445 1,446 2.5,447 1,448 3.247,449 2,450 1,451 1.5,452 2.136,453 1,454 2.5,455 1,456 3.247,457 1.967,458 1,459 1.5,460 2.136,461 0.952,462 1.301,463 3.108,464 1.119,465 0.469,466 2.658,467 0.732,468 -0.231,469 -0.294,470 -0.517,471 -0.221,472 1,473 0.291,474 2.499,475 0.423,476 -0.557,477 -0.73,479 -1.395,480 -0.539,481 0.836,482 -0.39,483 2,484 0.09,485 -0.863,486 -1.148,488 -0.799,489 12.733,490 0.509,491 0.628,492 0.025,493 37.25,494 1.49,495 23,496 0.92,497 14.25,498 0.57,499 0.67,500 0.597,501 27.202,502 1.088,503 7.297,504 0.292,505 0.19,506 0.092,507 0.065,510 0.352,511 0.781,512 1.025,513 0.678,514 0.846,515 0.438,516 0.986,517 0.77,518 0.881,519 0.522,520 0.916,521 1.205,522 1.082,523 1.146,524 1.058,525 1.454,526 1.163,527 1.35,528 1.231,529 1.379,530 0.943,531 1.784,532 0.897,533 1.288,534 1.616,535 0.705,536 1.863,537 1.193,538 1.709,539 1.452,540 1.7,541 1.051,542 2.163,543 0.894,544 1.19,545 0.955,546 2.208,547 1.049,548 0.922,549 0.949,550 0.769,551 1.007,552 1.132,553 5.5,554 0.074,555 2.889,556 1.5,557 1.244,558 1.125,559 0.491,560 0.323,561 0.179,562 0.125,563 18397,564 2.052,565 40.5,566 3,567 14,573 1.688,574 1.935,575 3.157,576 -0.79,581 1.585,582 2.693,583 4.612,584 4.66,585 2.615,586 4.615,587 3.312,588 993.671,589 8.021,590 12064.1,595 1.429,596 0.204,597 0.008,598 0.078,599 0.042,600 0.038,601 0.031,602 0.012,603 0.009,604 0.007,605 0.008,606 0.437,607 0.33,608 0.88,609 0.553,610 119.247,611 0.193,612 0.191,613 -0.045,614 0.449,615 -0.015,616 0.104,617 0.025,618 0.331,619 -0.037,620 -0.193,621 0.078,622 -0.052,623 0.055,624 -0.083,625 -0.053,626 -0.038,627 0.027,628 -0.023,629 -0.049,630 0.045,631 -0.203,632 0.24,633 0.018,634 0.176,635 -0.089,636 0.226,637 -0.261,638 -0.137,639 -0.391,640 -0.274,641 -0.029,642 -0.169,643 -0.44,644 0.058,645 -0.337,646 -0.069,647 -0.34,648 -0.171,649 -0.115,650 -0.088,651 -0.118,652 -0.083,653 -0.13,654 -0.168,655 5.717,656 0.72,657 19.853,658 0.999,659 1.097,660 4.695,661 22.047,662 0.745,663 3.332,664 3.638,665 3.829,666 4.025,667 4.248,668 4.234,669 4.234,670 4.263,671 4.317,672 4.234,673 5.648,674 0.691,675 3.332,676 4.86,677 5.68,678 6.544,679 7.386,680 8.257,681 9.107,682 9.982,683 10.838,684 11.716,685 2.4,692 1,696 14,700 4,702 18,713 21,714 3,715 27,717 20,718 18,719 4,720 14,721 1,723 3,724 3,727 1,733 19,734 1,735 3,737 1,738 2,741 1,742 1,747 17,748 3,750 5,751 2,753 1,757 1,758 2,763 3,772 3,773 1,774 2,776 1,778 6.085}
{0 CHEMBL1492648,1 4.09,2 -0.125,3 0.09,4 3.742,5 2.95,6 302.3,7 3.644,8 11.164,9 11.502,10 -0.7,11 1.36,12 3.693,13 5.066,14 17.149,15 18.684,16 20.188,17 21.72,18 23.24,19 2.854,20 2.925,21 1.136,22 68.3,23 0.047,24 2.9,25 3.356,26 4.037,27 0.886,28 35.994,29 12.719,31 0.654,32 150.253,33 2.428,34 0.876,35 3.9,36 3.669,37 3.22,38 3.27,39 1.344,40 412.951,41 615.54,42 382,43 3.511,44 3.576,45 4.065,46 4.167,47 4.204,48 4.353,49 3.961,50 3.255,52 1,53 12.306,54 12.306,55 12.306,56 12.306,57 12.306,58 10.659,59 7.014,60 12.911,61 7.822,62 7.344,63 3.369,64 269,65 -0.123,67 -1,68 -1,69 -2.412,70 -3,71 12.895,72 22.643,73 0.965,74 2985,75 60.578,76 3.046,77 140.881,78 4.178,79 0.078,81 29,82 30,83 2,84 1.474,85 150.82,86 2.983,87 75.684,88 30.891,89 33.431,90 5.933,91 -1,92 8.407,93 -2.412,94 10.957,95 -3,96 13.555,97 16.184,98 18.834,99 3145,100 5.51,101 2.98,102 2.715,103 2.08,104 2.091,105 0.342,106 0.203,107 0.162,108 0.182,109 0.141,110 1.523,111 1.515,112 1.692,113 1.703,114 0.97,115 0.879,116 20.443,117 60.578,118 107.107,119 118.617,120 121.372,121 121.372,122 9.177,123 5.428,124 5.156,125 4.252,126 8.86,127 7.287,128 3.243,129 2.021,130 1.561,131 0.218,132 0.729,133 0.876,134 -0.069,135 5.994,137 3.534,138 0.314,139 0.142,140 2,141 2.927,142 1.578,143 0.73,144 1.25,146 96.352,147 0.001,148 5.017,149 8.109,150 2.466,151 7,152 11.118,153 14.126,154 2.089,155 6.7,156 3.416,157 11.669,158 66.789,159 10.424,160 0.571,161 3.515,162 3.121,163 4.782,164 3.11,165 3.878,166 3.405,167 6.095,168 3.443,169 3.788,170 3.444,171 5.896,172 3.459,173 4.104,174 4.269,175 3.707,176 3.387,177 5.565,178 3.397,179 4.088,180 4.205,181 3.382,182 5.687,183 3.421,184 4.219,185 4.329,186 3.279,187 6.444,188 3.361,189 4.173,190 4.38,191 3.288,192 2.965,193 5.866,194 3.018,195 3.641,196 3.88,197 2.346,198 5.216,199 2.346,200 0.223,201 0.671,202 3.696,203 56.037,204 2.451,205 0.91,206 1.328,207 4.994,208 176.744,209 4.196,210 0.791,211 1.041,212 9.267,213 4.84,214 112.605,215 4.554,216 0.685,217 1.059,218 9.108,219 4.945,220 115.307,221 4.082,222 0.571,223 1.205,224 11.811,225 5.692,226 118.88,227 4.358,228 1.226,229 1.176,230 11.09,231 5.795,232 242.866,233 4.248,234 1.274,235 1.013,236 17.985,237 5.857,238 224.885,239 3.753,240 0.709,241 0.477,242 3.386,243 125.374,244 2.895,245 41,246 32,247 0.398,248 0.633,249 0.704,250 0.779,251 0.798,252 0.798,253 3.059,254 1.041,255 -3.85,256 -3.81,257 -3.62,259 41.4,263 1,266 1,268 6,269 1,271 2,274 1,287 6,288 2,289 3,294 7,295 4,296 2,301 5,303 3,309 2,314 6,320 5,326 2,335 440,336 7.607,337 10.387,338 10.387,339 10.387,340 10.387,341 10.387,342 11.506,343 2.769,344 1.535,345 1.165,346 0.768,347 0.673,348 0.673,349 3.703,353 1,355 130.443,358 1.06,359 47.747,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 47.5,370 134,371 4.824,372 5.181,373 7.186,374 4.264,375 3.404,376 4.682,377 3.825,378 11.982,379 2.964,380 4.438,381 4.459,382 7.052,383 4.065,384 3.23,385 3.941,386 11.446,387 2.69,388 4.129,389 6.136,390 3.762,391 2.793,392 3.534,393 9.046,394 2.649,395 3.469,396 2.557,397 4.905,398 2.94,399 2,400 2.84,402 5.692,403 1.867,404 3.042,405 1.995,406 4.377,407 2.528,408 1.587,409 2.253,411 4.033,412 1.471,413 2.717,414 1.679,415 4.306,416 2.189,417 1.285,418 1.781,420 3.92,421 1.144,422 2.53,423 1.089,424 3.491,425 2.004,426 1.038,427 1.543,428 2.584,429 1,430 2.5,431 1,432 3.247,433 2,434 1,435 1.5,436 2.136,437 0.996,438 1,439 0.672,440 2.861,441 0.481,442 -0.485,443 -0.658,444 -1.26,445 -0.465,446 0.926,447 0.51,448 2.815,449 0.271,450 -0.644,451 -0.859,452 -2.059,453 -0.576,454 0.785,455 0.51,456 2.499,457 0.048,458 -0.907,459 -1,460 -2.347,461 -0.7,462 0.561,463 2,464 0.5,465 -0.412,466 2,468 -1,469 -1.168,470 -3,471 -0.78,472 0.298,473 -0.592,474 2,475 -0.203,476 -1,477 -1.317,479 -3,480 -0.863,482 -1,483 2,484 -0.3,485 -1,486 -1.5,488 -1,489 9.157,490 0.458,491 0.909,492 0.045,493 27.75,494 1.388,495 15,496 0.75,497 12.75,498 0.638,499 0.645,500 0.781,501 22.194,502 1.11,503 5.508,504 0.275,505 0.183,506 0.221,507 0.146,508 3,510 0.52,511 0.748,512 1.225,513 0.668,514 0.92,515 0.442,516 0.787,517 0.912,518 1.185,519 0.444,520 0.953,521 0.65,522 0.711,523 0.695,524 0.917,525 0.974,526 0.965,527 0.865,528 0.815,529 0.895,530 0.878,531 0.743,532 1.095,533 0.799,534 0.913,535 1.016,536 0.935,537 1.346,538 1.002,539 1.22,540 0.826,541 1.171,542 2.082,543 1.334,544 1.654,545 0.939,546 1.966,547 1.097,548 1.649,549 1.048,550 1.386,551 1.61,552 1.143,553 7,555 2.889,556 1.375,557 1.28,558 1.681,559 0.449,560 0.226,561 0.122,563 14571,564 1.888,565 31,567 9,573 1.627,574 1.69,575 2.719,576 -0.59,578 1,579 1,580 1,581 2.089,582 3.322,583 4.185,584 4.185,585 2.121,586 4.296,587 2.885,588 548.244,589 7.386,590 5613.6,592 1,594 1,595 1.846,596 0.333,598 0.09,599 0.046,600 0.047,601 0.056,602 0.015,603 0.015,604 0.02,606 0.624,607 0.5,608 1,609 1.069,610 86.251,611 0.022,612 0.159,613 -0.07,614 0.409,615 0.214,616 0.011,617 -0.139,618 0.41,619 -0.059,620 0.08,621 0.02,622 0.09,623 0.006,624 -0.023,625 -0.192,626 -0.064,627 -0.023,628 0.079,629 -0.148,630 0.066,631 0.087,632 -0.137,633 0.248,634 -0.264,635 -0.076,636 -0.066,637 0.259,638 -0.246,639 -0.053,640 -0.239,641 0.416,642 -0.3,643 -0.628,644 -0.045,645 -0.521,646 0.054,647 -0.526,648 -0.099,649 -0.411,650 -0.096,651 -0.259,652 0.02,653 -0.37,654 -0.018,655 4.767,656 0.6,657 12.8,658 1.065,659 1.153,660 2.618,661 6.853,662 0.696,663 3.091,664 3.497,665 3.611,666 3.784,667 4.111,668 4.174,669 4.174,670 4.06,671 3.807,672 3.611,673 4.451,674 0.705,675 3.091,676 4.673,677 5.493,678 6.399,679 7.255,680 8.157,681 9.028,682 9.929,683 10.806,684 11.706,685 6.9,693 2,696 6,697 2,700 4,702 12,713 14,714 1,715 21,717 12,718 10,719 1,720 5,723 2,724 2,727 1,730 1,733 10,734 2,735 2,737 1,738 2,744 1,745 3,747 9,748 7,750 8,751 1,753 2,757 1,758 2,760 1,763 2,772 2,774 1,776 1,778 6.185}
{0 CHEMBL1505372,1 4.672,2 -0.097,3 0.067,4 2.828,5 0.4,6 278.28,7 2.553,8 8.425,9 12.301,10 -0.57,11 0.888,12 4.349,13 5.107,14 16.178,15 17.659,16 19.044,17 20.506,18 21.92,19 3.099,20 3.2,21 1.056,22 121.68,23 0.033,24 2.886,25 3.191,26 3.847,27 1.07,28 36.108,29 12.092,30 0.4,31 0.956,32 133.145,33 2.658,34 1.068,35 3.491,36 3.237,37 3.235,38 3.319,39 1.49,40 375.381,41 540.8,42 350,43 3.586,44 3.72,45 4.014,46 4.175,47 4.198,48 4.39,49 3.435,50 1.88,51 3,53 13.093,54 13.093,55 13.093,56 13.093,57 13.093,58 11.236,59 7.67,60 13.489,61 7.514,62 38.182,63 3.553,64 296,65 -0.011,66 0.31,67 -0.618,68 -0.793,69 -1.617,70 -3.377,71 10.876,72 22.348,73 1.236,74 3169,75 59.963,76 3.822,77 153.58,78 4.219,79 -0.121,80 1,81 31,82 32,84 1.554,85 97.358,86 3.082,87 84.439,88 32.429,89 35.994,90 4.156,91 -0.618,92 5.948,93 -1.617,94 7.794,95 -3.377,96 9.67,97 11.563,98 13.468,99 3305,100 5.308,101 2.91,102 2.842,103 2.267,104 2.3,105 0.319,106 0.194,107 0.149,108 0.124,109 0.141,110 1.34,111 1.25,112 1.73,113 1.677,114 0.963,115 1.085,116 20.522,117 59.963,118 134.825,119 144.825,120 144.825,121 144.825,122 9.507,123 5.382,124 5.297,125 4.433,126 9.113,127 5.532,128 2.405,129 1.554,130 0.93,131 0.384,132 0.863,133 1.083,134 -0.136,135 2.698,137 4.077,138 0.333,139 0.185,140 4,141 2.859,142 1.634,143 0.651,144 1.421,146 116.825,147 0.047,148 4.663,149 7.625,150 3.072,151 3,152 10.479,153 13.324,154 1.934,155 7.3,156 2.363,157 5.582,158 74.217,159 8.977,160 0.571,161 3.271,162 2.983,163 4.968,164 3.042,165 3.617,166 3.308,167 5.556,168 3.358,169 3.675,170 3.363,171 5.566,172 3.421,173 4.248,174 4.445,175 3.717,176 3.289,177 5.934,178 3.354,179 4.178,180 4.372,181 3.267,182 5.557,183 3.303,184 4.103,185 4.302,186 3.223,187 5.576,188 3.259,189 4.166,190 4.381,191 3.367,192 3.112,193 5.633,194 3.157,195 3.967,196 4.175,197 2.771,198 5.85,199 2.775,200 0.234,201 0.568,202 4.554,203 17.98,204 2.35,205 0.419,206 0.81,207 3.458,208 53.89,209 4.248,210 0.524,211 0.885,212 11.471,213 3.58,214 59.089,215 4.57,216 0.728,217 0.788,218 12.758,219 3.23,220 73.5,221 4.541,222 0.65,223 0.726,224 12.489,225 3.224,226 91.333,227 3.766,228 0.503,229 0.706,230 11.015,231 3.15,232 46.832,233 4.455,234 0.669,235 0.66,236 14.009,237 3.382,238 87.138,239 4.397,240 0.839,241 0.493,242 2.96,243 141.744,244 3.798,245 30,246 29,247 0.363,248 0.708,249 0.817,250 0.878,251 0.878,252 0.878,253 3.058,254 0.79,255 -3.98,256 -3.93,257 -3.73,259 35.5,263 1,268 4,272 2,274 1,282 1,283 1,284 1,285 2,287 2,288 2,290 1,291 4,293 2,294 3,295 2,297 1,298 2,300 1,301 1,302 4,303 2,304 3,305 6,306 3,307 1,308 2,311 1,314 8,315 2,316 4,318 2,320 4,322 2,324 1,326 3,327 2,329 1,335 516,336 21.466,337 10.295,338 10.295,339 10.295,340 10.295,341 10.295,342 10.941,343 3.02,344 1.186,345 0.605,346 0.282,347 0.282,348 0.282,349 3.711,352 1,353 1,355 131.653,358 1,359 33.219,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 46.5,370 146,371 4.536,372 3.83,373 6.708,374 4.082,375 3.136,376 4.285,377 2.612,378 10.779,379 2.966,380 4.039,381 3.022,382 5.557,383 3.602,384 2.642,385 3.646,386 7.562,387 2.532,388 3.785,389 5.348,390 3.258,391 2.343,392 3.27,393 6.846,394 2.142,395 3.412,396 2.476,397 5.055,398 3.011,399 2.089,400 2.682,402 5.901,403 1.915,404 3.224,405 2.248,406 4.68,407 2.702,408 1.77,409 2.446,411 4.956,412 1.643,413 3.113,414 1.926,415 4.456,416 2.574,417 1.618,418 2.335,420 4.065,421 1.54,422 2.659,423 1.253,424 3.483,425 2.171,426 1.182,427 1.733,428 2.592,429 1.165,430 1.682,431 1,432 3.112,433 1.384,434 0.471,435 0.541,436 0.767,437 0.429,438 1.366,439 0.815,440 2.872,441 1.039,442 0.098,443 0.122,444 0.257,445 0.092,446 1.075,447 0.464,448 2.59,449 0.68,450 -0.238,451 -0.301,452 -0.576,453 -0.218,454 1,455 0.191,456 2.177,457 0.489,458 -0.409,459 -0.514,460 -0.93,461 -0.352,462 0.93,463 2,464 0.749,465 -0.444,466 1.767,468 -1,469 -1.21,470 -2,471 -0.936,472 0.332,473 -0.804,474 1.623,475 -0.059,476 -1,477 -1.718,479 -2.477,480 -1,481 -0.019,482 -1.109,483 1.391,484 -0.356,485 -1.285,486 -1.906,488 -1.197,489 8.852,490 0.443,491 0.579,492 0.029,493 30.25,494 1.513,495 16.5,496 0.825,497 13.75,498 0.688,499 0.544,500 0.721,501 22.323,502 1.116,503 6.27,504 0.313,505 0.162,506 0.209,509 1,510 0.629,511 0.66,512 0.974,513 0.62,514 0.84,515 0.562,516 1.057,517 0.616,518 1.053,519 0.462,520 0.901,521 1.26,522 0.865,523 1.125,524 0.981,525 0.66,526 0.785,527 0.872,528 0.882,529 0.687,530 0.945,531 1.415,532 0.934,533 1.313,534 1.376,535 1.003,536 0.78,537 1.023,538 0.875,539 1.117,540 0.713,541 1.035,542 1.316,543 0.969,544 1.103,545 1.006,546 1.392,547 0.977,548 1.205,549 0.858,550 1.289,551 1.425,552 1.242,553 5,555 1.778,556 2.125,557 1.187,558 0.813,559 0.427,560 0.307,561 0.139,562 0.016,563 13273,564 1.938,565 35.5,567 7,570 4,573 1.625,574 1.765,575 2.868,576 2.125,578 1,580 1,581 1.934,582 3.769,583 4.672,584 4.672,585 2.183,586 4.295,587 3.008,588 571.525,589 7.372,590 5882.92,591 1,592 1,594 1,595 1.559,596 0.238,598 0.061,599 0.071,600 0.041,601 0.035,602 0.018,603 0.015,604 0.012,605 0.008,606 0.499,607 0.33,608 1,609 1.048,610 87.21,611 -0.007,612 -0.002,613 0.062,614 0.156,615 -0.015,616 0.161,617 -0.017,618 0.186,619 0.046,620 -0.192,622 -0.151,623 -0.118,624 -0.05,625 0.283,626 0.156,627 0.047,628 -0.028,629 0.215,630 -0.091,631 -0.432,632 -0.001,633 -0.392,634 0.048,635 -0.347,636 -0.093,637 0.019,638 -0.123,639 0.03,640 -0.154,641 0.056,642 -0.067,643 -0.243,644 -0.146,645 -0.052,646 -0.067,647 -0.221,648 0.008,649 0.237,650 0.115,651 -0.126,652 -0.111,653 0.219,654 -0.257,655 5.11,656 0.6,657 13.18,658 1.046,659 1.161,660 2.748,661 7.553,662 0.65,663 3.091,664 3.401,665 3.611,666 3.871,667 3.989,668 4.06,669 3.97,670 3.932,671 3.807,672 3.807,673 4.713,674 0.662,675 3.091,676 4.615,677 5.442,678 6.319,679 7.165,680 8.049,681 8.901,682 9.789,683 10.644,684 11.533,685 19.4,687 1,688 1,691 1,693 2,694 1,696 4,697 2,700 6,702 12,707 1,708 2,709 1,713 14,714 1,715 21,717 11,718 10,719 2,720 4,723 2,724 2,733 10,734 1,735 2,736 1,738 2,743 1,744 1,745 1,747 11,748 8,749 4,750 9,753 6,757 1,758 2,760 1,763 2,772 2,776 1,778 5.027}
{0 CHEMBL1507679,1 4.991,2 -0.008,3 0.085,4 3.082,5 1.151,6 413.46,7 2.084,8 18.577,9 20.711,10 0.951,11 0.902,12 4.363,13 5.331,14 15.906,15 17.348,16 18.632,17 20.04,18 21.359,19 3.316,20 3.377,21 1.337,22 58.81,23 0.046,24 3.305,25 4.555,26 3.894,27 1.39,28 47.231,29 12.06,30 0.916,31 0.798,32 293.072,33 2.934,34 1.347,35 3.981,36 6.468,37 3.701,38 3.757,39 1.708,40 495.611,41 724.27,42 464,43 4.054,44 4.157,45 4.596,46 4.757,47 4.851,48 5.032,49 3.94,50 4.757,51 3,53 20.275,54 20.275,55 20.275,56 20.275,57 20.275,58 18.031,59 11.906,60 20.709,61 12.924,62 28.454,63 5.628,64 812,65 1.081,66 1.965,67 0.989,68 1.131,69 2.136,70 -0.123,71 24.212,72 33.029,73 1.121,74 12778,75 87.438,76 4.307,77 289.294,78 4.839,79 0.139,80 2,81 51,82 54,83 1,84 2.959,85 277.113,86 4.187,87 137.207,88 52.149,89 57.955,90 2.197,91 0.989,92 2.402,93 2.136,94 2.642,95 -0.123,96 2.902,97 3.177,98 3.463,99 12098,100 5.341,101 3.531,102 3.09,103 2.735,104 2.753,105 0.198,106 0.123,107 0.094,108 0.036,109 0.09,110 1.717,111 1.664,112 1.889,113 1.896,114 1.512,115 1.473,116 33.243,117 87.438,118 222.5,119 254.539,120 260.539,121 260.539,122 14.525,123 9.395,124 9.223,125 7.591,126 13.704,127 9.595,128 5.175,129 3.501,130 2.388,131 0.349,132 0.773,133 0.908,134 -0.139,135 2.477,136 2,137 6.117,138 0.349,139 0.182,140 5,141 3.52,142 1.897,143 1.016,144 1.701,145 1.579,146 180.461,147 -0.03,148 4.718,149 7.657,150 3.625,151 4,152 10.437,153 13.177,154 1.714,155 12.5,156 3.966,157 15.726,158 107.221,159 8.107,160 0.515,161 3.688,162 3.558,163 5.244,164 3.57,165 4.049,166 3.927,167 5.754,168 3.936,169 4.147,170 4.057,171 6.108,172 4.034,173 4.946,174 5.161,175 4.069,176 4.043,177 6.198,178 3.992,179 4.889,180 5.126,181 4.005,182 5.967,183 3.946,184 4.833,185 5.046,186 3.954,187 6.056,188 3.903,189 4.72,190 4.934,191 3.845,192 3.794,193 5.963,194 3.76,195 4.503,196 4.723,197 3.588,198 5.627,199 3.56,200 0.158,201 0.868,202 8.924,203 13.138,204 5.5,205 0.426,206 1.387,207 7.362,208 25.517,209 8.835,210 0.949,211 1.678,212 26.511,213 10.04,214 77.697,215 12.119,216 1.056,217 1.815,218 31.994,219 11.029,220 135.13,221 13.987,222 0.82,223 1.609,224 31.011,225 10.242,226 92.549,227 13.171,228 0.976,229 1.423,230 28.318,231 9.727,232 79.21,233 12.686,234 0.8,235 1.345,236 25.976,237 8.566,238 88,239 10.745,240 0.518,241 0.994,242 6.628,243 52.778,244 8.563,245 17,246 46,247 0.286,248 0.591,249 0.728,250 0.833,251 0.853,252 0.853,253 3.44,254 0.872,255 -4.31,256 -4.24,257 -4.01,259 43.1,263 1,264 4,265 1,268 9,269 1,271 1,276 1,280 1,285 1,287 8,288 1,289 3,294 7,295 4,296 8,301 3,302 3,303 5,310 1,313 3,314 7,317 3,319 1,320 8,323 3,326 6,328 2,330 1,331 8,334 1,335 1494,336 22.293,337 16.244,338 16.244,339 16.244,340 16.244,341 16.244,342 16.981,343 3.958,344 2.134,345 1.31,346 0.681,347 0.564,348 0.564,349 4.134,353 1,354 87.366,355 315.93,358 2.067,359 43.357,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 67.5,370 375,371 4.341,372 3.712,373 6.531,374 4.06,375 3.097,376 3.989,377 1.2,378 10.237,379 2.984,380 4.309,381 3.423,382 6.391,383 3.904,384 2.969,385 3.876,386 9.641,387 2.83,388 4.144,389 6.332,390 3.859,391 2.885,392 3.577,393 9.501,394 2.734,395 3.757,396 2.817,397 5.498,398 3.436,399 2.462,400 3.042,401 0.293,402 7.305,403 2.395,404 3.432,405 2.592,406 5.105,407 3.128,408 2.161,409 2.608,410 0.172,411 5.977,412 2.084,413 3.232,414 2.406,415 4.915,416 2.787,417 1.879,418 2.481,420 5.363,421 1.678,422 3.012,423 2.173,424 4.841,425 2.736,426 1.803,427 2.142,428 5.104,429 1.678,430 2.895,431 2.033,432 4.047,433 2.506,434 1.526,435 2.039,436 3.587,437 1.491,438 2.825,439 1.652,440 4.029,441 2.454,442 1.491,443 1.905,444 3.51,445 1.429,446 2.5,447 1.646,448 3.669,449 2,450 1,451 1.5,452 2.489,453 1,454 2.371,455 1.263,456 3.479,457 1.981,458 1,459 1.268,460 2.339,461 0.98,462 2.163,463 3.269,464 2.129,465 1,466 3.247,467 1.624,468 0.693,469 0.89,470 1.622,471 0.615,472 1.938,473 0.789,474 3.197,475 1.586,476 0.607,477 0.83,479 1.523,480 0.608,481 1.126,482 0.597,483 2.614,484 0.902,485 -0.052,486 -0.057,488 -0.046,489 13.771,490 0.459,491 0.733,492 0.024,493 38,494 1.267,495 18,496 0.6,497 20,498 0.667,499 0.807,500 0.648,501 30.89,502 1.03,503 8.057,504 0.269,505 0.216,506 0.102,509 2,510 0.605,511 0.659,512 1.14,513 0.509,514 0.975,515 0.848,516 1.014,517 0.822,518 0.981,519 0.588,520 0.898,521 1,522 0.957,523 1.083,524 1.073,525 0.847,526 0.949,527 0.975,528 1.053,529 0.914,530 1.06,531 0.965,532 0.865,533 1.019,534 1.02,535 0.945,536 0.674,537 0.778,538 0.897,539 0.97,540 0.612,541 0.998,542 1.04,543 0.871,544 0.982,545 0.965,546 1.062,547 0.969,548 0.978,549 0.798,550 0.912,551 0.764,552 0.887,553 5.5,554 0.087,555 4,556 2.285,557 1.468,558 1.098,559 0.603,560 0.378,561 0.312,562 0.211,563 39174,564 2.087,565 41.2,567 21,573 1.725,574 1.957,575 3.582,576 -0.726,578 1,581 1.714,582 3.538,583 5.109,584 5.109,585 3.036,586 4.88,587 3.786,588 1647.06,589 8.494,590 23546.5,592 1,594 1,595 1.4,596 0.167,597 0.004,598 0.087,599 0.049,600 0.035,601 0.028,602 0.015,603 0.011,604 0.011,605 0.008,606 0.415,607 0.33,608 1,609 0.551,610 156.019,611 0.023,612 0.061,613 -0.094,614 -0.079,615 -0.072,616 0.019,617 -0.015,618 0.005,619 0.03,620 -0.024,621 -0.033,622 -0.107,623 0.083,624 -0.122,625 0.087,626 -0.065,627 0.011,628 -0.09,629 0.077,630 -0.076,631 -0.104,632 0.039,633 -0.031,634 0.051,635 -0.122,636 0.048,637 0.168,638 -0.003,639 0.067,640 -0.022,641 0.113,642 -0.013,643 -0.031,644 -0.017,645 0.025,646 -0.012,647 -0.035,648 0.006,649 -0.116,650 -0.081,651 0.071,652 0.016,653 -0.048,654 0.088,655 5.903,656 0.767,657 31.907,658 1.023,659 1.136,660 3.078,661 9.475,662 0.664,663 3.526,664 3.85,665 4.127,666 4.344,667 4.511,668 4.554,669 4.615,670 4.718,671 4.828,672 4.883,673 7.44,674 0.652,675 3.526,676 5.069,677 5.922,678 6.792,679 7.658,680 8.532,681 9.401,682 10.277,683 11.149,684 12.026,685 5.9,686 1,690 1,693 1,696 9,697 1,698 1,700 6,702 17,705 1,712 1,713 18,714 2,715 33,717 22,718 15,719 4,720 8,721 1,723 4,724 4,729 1,731 1,733 16,734 6,735 1,738 1,742 1,744 1,745 2,747 21,748 8,750 8,752 1,753 3,757 1,758 3,762 1,763 3,771 1,772 4,776 1,778 5.41}
{0 CHEMBL1522211,1 4.734,2 -0.056,3 0.092,4 4.123,5 1.674,6 309.43,7 2.724,8 16.355,9 15.069,10 -0.505,11 1.138,12 4.434,13 4.464,14 14.702,15 16.129,16 17.32,17 18.71,18 19.949,19 3.213,20 3.254,21 1.143,22 111.55,23 0.049,24 3.459,25 6.664,26 3.854,27 1.107,28 54.136,29 11.089,30 0.98,31 1.224,32 249.627,33 2.745,34 1.062,35 3.357,36 5.385,37 3.452,38 3.525,39 1.64,40 305.031,41 436.02,42 286,43 3.755,44 3.883,45 4.252,46 4.435,47 4.468,48 4.683,49 3.533,50 3.52,51 1,52 4,53 13.93,54 13.93,55 13.93,56 13.93,57 13.93,58 12.806,59 8.604,60 14.236,61 8.341,62 13.439,63 3.974,64 462,65 0.104,66 0.422,67 -0.55,68 -0.738,69 -1.246,70 -2.962,71 16.581,72 24.167,73 1.222,74 4235,75 69.354,76 3.939,77 212.877,78 4.302,79 -0.072,81 40,82 40,83 2,84 2.556,85 188.338,86 3.36,87 88.239,88 40.433,89 45.365,90 3.512,91 -0.55,92 4.543,93 -1.246,94 5.7,95 -2.962,96 6.922,97 8.182,98 9.465,99 4547,100 5.114,101 3.245,102 3.044,103 2.588,104 2.576,105 0.287,106 0.182,107 0.135,108 0.093,109 0.134,110 1.594,111 1.526,112 1.799,113 1.828,114 1.292,115 1.237,116 24.61,117 69.354,118 177.367,119 189.367,120 189.367,121 189.367,122 10.062,123 6.619,124 6.403,125 5.419,126 10.351,127 7.103,128 2.657,129 1.519,130 0.976,131 0.249,132 1.083,133 1.031,134 0.007,135 2.023,136 1,137 7.896,138 0.303,139 0.14,140 6,141 3.285,142 1.862,143 1.019,144 1.624,145 1.876,146 143.103,147 -0.015,148 4.159,149 6.897,150 3.117,152 9.503,153 12.097,154 1.734,155 11.333,156 2.409,157 5.805,158 84.1,159 7.736,160 0.286,161 3.32,162 3.225,163 4.911,164 3.197,165 3.634,166 3.514,167 5.423,168 3.461,169 3.657,170 3.587,171 5.666,172 3.514,173 4.376,174 4.573,175 3.609,176 3.506,177 5.662,178 3.434,179 4.274,180 4.487,181 3.488,182 5.505,183 3.37,184 4.248,185 4.477,186 3.442,187 5.382,188 3.292,189 4.152,190 4.392,191 3.297,192 3.322,193 5.386,194 3.182,195 4.002,196 4.216,197 3.143,198 5.203,199 3.05,200 0.087,201 0.568,202 8.177,203 8.614,204 4.558,205 0.289,206 0.824,207 5.332,208 29.339,209 7.475,210 0.447,211 0.915,212 23.586,213 6.795,214 54.893,215 8.844,216 0.48,217 0.84,218 21.546,219 5.919,220 66.199,221 7.376,222 0.346,223 0.816,224 20.1,225 6.06,226 50.459,227 7.795,228 0.377,229 0.774,230 19.918,231 6.155,232 42.751,233 7.952,234 0.343,235 0.678,236 17.889,237 5.598,238 54.6,239 7.281,240 0.246,241 0.563,242 4.516,243 38.532,244 5.635,245 42,246 26,247 0.314,248 0.648,249 0.803,250 0.857,251 0.857,252 0.857,253 3.101,254 1.015,255 -3.11,256 -3.1,257 -2.98,259 35,260 2,261 2,264 1,268 4,269 1,280 2,281 1,286 1,287 6,289 5,291 2,292 1,293 2,294 4,296 6,298 1,299 1,300 4,301 2,303 3,305 1,307 5,309 2,311 2,312 5,313 1,315 1,316 3,317 3,319 1,320 2,321 1,322 2,323 2,326 4,327 1,328 3,331 3,332 1,333 2,334 4,335 640,336 14.847,337 10.236,338 10.236,339 10.236,340 10.236,341 10.236,342 10.702,343 3.588,344 1.744,345 0.888,346 0.588,347 0.588,348 0.588,349 3.739,352 1,353 1,355 82.159,358 1.968,359 24.155,360 1,361 1,362 1,363 1,364 1,365 1,366 1,367 1,368 1,369 46.5,370 238,371 4.19,372 3.839,373 6.031,374 3.827,375 2.828,376 3.768,377 1.948,378 8.595,379 2.824,380 3.827,381 3.548,382 5.322,383 3.478,384 2.535,385 3.089,386 6.886,387 2.406,388 3.716,389 5.288,390 3.344,391 2.392,392 3.005,393 6.761,394 2.264,395 3.351,396 2.869,397 4.621,398 2.926,399 1.978,400 2.474,401 0.86,402 4.945,403 1.83,404 2.88,405 2.049,406 4.143,407 2.494,408 1.534,409 1.926,411 3.71,412 1.454,413 2.5,414 1.594,415 3.427,416 2.287,417 1.308,418 1.5,420 2.59,421 1.27,422 2.449,423 1.276,424 3.414,425 2,426 1,427 1.442,428 2.275,429 1,430 1.727,431 1.035,432 2.986,433 1.508,434 0.522,435 0.568,436 1.053,437 0.509,438 1.496,439 1,440 2.557,441 1.294,442 0.327,443 0.355,444 0.499,445 0.309,446 1.435,447 0.774,448 2.348,449 1.192,450 0.218,451 0.255,452 0.34,453 0.21,454 1,455 0.619,456 2,457 0.508,458 -0.465,459 -0.557,460 -0.906,461 -0.444,462 0.846,463 1.931,464 0.5,465 -0.173,466 1.573,468 -1,469 -1.256,470 -2.193,471 -0.901,472 0.412,473 -0.643,474 1.375,475 -0.065,476 -1,477 -1.412,479 -2.444,480 -1,481 0.004,482 -0.924,483 1.236,484 -0.172,485 -1.132,486 -1.5,488 -1.105,489 10.033,490 0.478,491 0.438,492 0.021,493 23,494 1.095,495 10.5,496 0.5,497 12.5,498 0.595,499 0.79,500 0.604,501 16.899,502 0.805,503 4.677,504 0.223,505 0.256,506 0.249,510 0.771,511 0.702,512 0.984,513 0.589,514 1.008,515 0.75,516 1.225,517 0.707,518 1.043,519 0.571,520 1.028,521 1.009,522 0.945,523 0.949,524 0.894,525 1.573,526 1.023,527 1.08,528 0.915,529 1.453,530 0.938,531 0.823,532 1.145,533 1.081,534 0.933,535 1.06,536 0.694,537 1.038,538 1.17,539 1.124,540 0.787,541 1.076,542 0.63,543 0.94,544 0.974,545 1,546 0.607,547 0.94,548 1.325,549 1.008,550 1.115,551 1.493,552 0.965,553 4.5,554 0.083,555 2.222,556 1,557 0.742,558 0.521,559 0.366,560 0.243,561 0.177,562 0.076,563 13753,564 1.868,565 47.5,566 6,567 6,570 3,571 2,572 2,573 1.625,574 1.726,575 3.475,576 1.156,577 1,578 1,580 1,581 1.734,582 3.578,583 4.734,584 4.734,585 2.951,586 4.356,587 3.616,588 759.349,589 7.437,590 8626.73,591 1,592 1,594 1,595 1.475,596 0.214,597 0.009,598 0.085,599 0.038,600 0.032,601 0.025,602 0.02,603 0.014,604 0.012,605 0.006,606 0.457,607 0.33,608 1,609 2.508,610 98.286,611 -0.035,612 0.003,613 -0.032,614 0.146,615 -0.159,616 0.105,617 -0.119,618 0.095,619 -0.055,620 -0.039,621 0.033,622 0.007,623 -0.032,624 0.058,625 -0.24,626 -0.014,627 -0.064,628 0.042,629 -0.126,630 -0.021,631 0.047,632 -0.077,633 -0.009,634 -0.074,635 0.039,636 -0.071,637 0.113,638 -0.002,639 -0.087,640 -0.05,641 0.009,642 -0.072,643 0.202,644 0.044,645 0.077,646 0.04,647 0.244,648 0.065,649 -0.195,650 -0.036,651 -0.09,652 -0.027,653 -0.153,654 0.003,655 4.843,656 0.286,657 21.497,658 1.011,659 1.134,660 1.876,661 3.521,662 0.653,663 3.091,664 3.296,665 3.401,666 3.466,667 3.584,668 3.526,669 3.526,670 3.434,671 3.367,672 3.135,673 6.49,674 0.615,675 3.091,676 4.554,677 5.323,678 6.129,679 6.921,680 7.733,681 8.534,682 9.351,683 10.158,684 10.977,685 7.5,690 3,696 4,700 2,702 6,712 1,713 9,714 1,715 21,717 14,718 6,719 2,720 4,721 1,723 1,724 1,726 1,727 2,731 2,733 9,734 5,735 3,738 2,739 1,742 3,743 1,744 1,747 19,748 6,749 3,750 7,751 1,753 3,755 1,756 1,757 1,758 3,763 1,772 1,774 1,776 2,778 5.712}
{0 CHEMBL1566515,1 4.239,2 -0.116,3 0.076,4 2.646,5 0.4,6 300.12,7 2.527,8 2.152,9 11.622,10 -0.621,11 0.855,12 4.056,13 5.08,14 16.149,15 17.623,16 18.996,17 20.449,18 21.85,19 2.901,20 3.006,21 1.065,22 109.65,23 0.043,24 2.834,25 3.229,26 3.874,27 0.77,28 33.466,29 12.079,31 0.998,32 176.129,33 2.573,34 0.744,35 3.511,36 3.195,37 3.101,38 3.195,39 1.324,40 380.59,41 546,42 354,43 3.432,44 3.534,45 3.835,46 3.941,47 4.037,48 4.171,49 3.375,50 1.609,51 4,53 12.223,54 12.223,55 12.223,56 12.223,57 12.223,58 10.314,59 7.156,60 12.758,61 7.091,62 25.688,63 3.383,64 262,65 -0.03,67 -0.779,68 -0.947,69 -1.974,70 -3.813,71 11.109,72 20.305,73 1.223,74 2796,75 53.731,76 3.537,77 122.211,78 4.14,79 -0.21,80 2,81 26,82 27,84 1.255,85 47.084,86 2.996,87 72.711,88 27.578,89 29.629,90 4.155,91 -0.779,92 5.948,93 -1.974,94 7.794,95 -3.813,96 9.67,97 11.563,98 13.468,99 2912,100 5.276,101 2.895,102 2.815,103 1.71,104 1.733,105 0.335,106 0.203,107 0.155,108 0.131,109 0.147,110 1.096,111 1.054,112 1.624,113 1.496,114 0.93,115 1,116 19.245,117 53.731,118 105.457,119 110.211,120 110.211,121 110.211,122 8.969,123 4.909,124 4.78,125 3.948,126 9.547,127 5.707,128 2.595,129 1.953,130 0.967,131 0.374,132 0.821,133 1.889,134 -0.006,135 2.663,137 4.042,138 0.328,139 0.188,140 3,141 2.879,142 1.212,143 0.19,144 1.304,146 92.702,147 0.091,148 4.663,149 7.614,150 3.603,151 2,152 10.467,153 13.306,154 2.067,155 6.789,156 3.156,157 9.962,158 73.502,159 11.543,160 0.6,161 3.331,162 2.959,163 4.845,164 2.995,165 3.731,166 3.32,167 5.431,168 3.339,169 3.776,170 3.401,171 5.415,172 3.398,173 4.083,174 4.242,175 3.962,176 3.272,177 5.84,178 3.292,179 3.959,180 4.127,181 3.149,182 5.376,183 3.141,184 3.707,185 3.838,186 3.04,187 5.241,188 3.061,189 3.712,190 3.847,191 3.538,192 2.959,193 5.241,194 2.965,195 3.471,196 3.587,197 2.56,198 5.49,199 2.585,200 0.22,201 0.418,202 1.06,203 18.147,204 1.281,205 0.378,206 0.583,207 2.862,208 51.553,209 2.574,210 0.484,211 0.641,212 8.946,213 3.755,214 46.055,215 3.228,216 0.632,217 0.59,218 10.944,219 3.629,220 62.683,221 3.664,222 0.628,223 0.492,224 13.452,225 3.699,226 81.635,227 2.713,228 0.385,229 0.42,230 4.719,231 2.731,232 42.109,233 2.429,234 0.457,235 0.34,236 5.207,237 2.736,238 63.09,239 1.974,240 0.512,241 0.169,242 2.563,243 62.995,244 2.202,245 27,246 28,247 0.403,248 0.695,249 0.791,250 0.826,251 0.826,252 0.826,253 3.011,254 0.856,255 -4.46,256 -4.39,257 -4.14,259 38.5,268 3,272 2,273 1,282 1,283 1,284 1,285 2,288 2,290 1,291 2,293 2,294 7,295 2,297 1,298 2,302 4,303 2,304 3,305 6,306 1,307 3,308 1,309 3,314 9,316 2,318 2,320 3,326 9,327 3,329 3,335 408,336 16.716,337 9.868,338 9.868,339 9.868,340 9.868,341 9.868,342 10.808,343 2.634,344 1.135,345 0.644,346 0.462,347 0.462,348 0.462,349 3.66,351 2,353 1,355 123.484,358 1.003,359 28.656,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 43.167,370 129,371 4.505,372 3.828,373 6.69,374 4.052,375 3.102,376 4.241,377 2.612,378 10.684,379 2.944,380 4.155,381 3.159,382 5.688,383 3.68,384 2.754,385 3.805,386 7.978,387 2.527,388 3.587,389 5.13,390 3.043,391 2.136,392 3.018,393 6.14,394 1.896,395 3.402,396 2.623,397 4.739,398 2.848,399 1.909,400 2.68,402 4.986,403 1.786,404 3.232,405 2.382,406 4.643,407 2.707,408 1.879,409 2.481,411 4.963,412 1.558,413 3.111,414 1.888,415 4.618,416 2.644,417 1.716,418 2.341,420 4.668,421 1.441,422 2.71,423 1.348,424 3.587,425 2.086,426 1.152,427 1.768,428 2.554,429 1.073,430 1.405,431 1,432 3.028,433 1.045,434 0.102,435 0.128,436 0.289,437 0.096,438 1.086,439 0.495,440 2.382,441 0.663,442 -0.254,443 -0.323,444 -0.59,445 -0.229,446 1,447 0.262,448 2.359,449 0.473,450 -0.347,451 -0.445,452 -0.891,453 -0.231,454 1,455 0.173,456 2.346,457 0.394,458 -0.475,459 -0.594,460 -1.184,461 -0.295,462 0.882,463 2,464 0.469,465 -0.5,466 1.607,467 -0.012,468 -1,469 -1.627,470 -2,471 -1,472 0.045,473 -1.061,474 1.403,475 -0.417,476 -1.251,477 -1.946,479 -3.305,480 -1.106,481 -0.123,482 -1.235,483 1.249,484 -0.544,485 -1.441,486 -2,488 -1.212,489 9.095,490 0.479,491 0.617,492 0.032,493 29,494 1.526,495 16,496 0.842,497 13,498 0.684,499 0.585,500 0.781,501 19.768,502 1.04,503 5.775,504 0.304,505 0.168,506 0.274,510 0.628,511 0.495,512 0.604,513 0.665,514 0.625,515 0.616,516 1.128,517 0.583,518 0.78,519 0.436,520 0.798,521 1.163,522 1.187,523 1.183,524 1.183,525 0.477,526 0.835,527 0.567,528 0.794,529 0.584,530 0.913,531 1.668,532 0.76,533 1.29,534 1.664,535 1.002,536 1.008,537 1.238,538 0.695,539 0.997,540 1.035,541 0.932,542 1.491,543 1.082,544 1.038,545 0.911,546 1.742,547 0.953,548 0.709,549 0.906,550 1.636,551 0.802,552 1.281,553 5,555 1.778,556 2.25,557 0.987,558 0.583,559 0.345,560 0.37,561 0.102,563 14260,564 1.935,565 26.9,567 3,569 1,570 3,573 1.607,574 1.754,575 2.799,576 1.355,580 1,581 2.067,582 3.565,583 4.239,584 4.239,585 2.076,586 4.225,587 2.952,588 504.765,589 7.215,590 5036.07,591 1,592 1,594 1,595 1.568,596 0.25,598 0.063,599 0.08,600 0.037,601 0.031,602 0.017,603 0.022,604 0.009,606 0.509,607 0.33,608 1,609 0.954,610 81.334,611 0.007,612 -0.02,613 0.162,614 0.108,615 0.006,616 0.034,617 0.06,618 0.233,619 0.009,620 -0.113,621 -0.29,622 -0.279,623 -0.18,624 -0.304,625 0.501,626 0.154,627 0.302,628 0.107,629 0.4,630 0.021,631 -0.597,632 0.125,633 -0.339,634 0.14,635 -0.471,636 0.036,637 -0.092,638 -0.268,639 0.109,640 -0.059,641 -0.062,642 0.032,643 -0.368,644 -0.202,645 0.017,646 0.1,647 -0.478,648 0.03,649 0.734,650 -0.248,651 0.275,652 -0.635,653 0.648,654 -0.125,655 3.92,656 0.632,657 11.186,658 1.061,659 1.14,660 3.23,661 10.432,662 0.738,663 3.045,664 3.367,665 3.555,666 3.829,667 3.871,668 3.892,669 3.784,670 3.912,671 3.714,672 3.761,673 4.596,674 0.74,675 3.045,676 4.575,677 5.398,678 6.279,679 7.116,680 8,681 8.842,682 9.727,683 10.571,684 11.457,685 19.2,687 1,691 1,693 2,694 1,696 4,697 2,700 6,702 12,707 1,708 1,709 1,713 14,714 1,715 20,717 10,718 10,719 3,720 3,723 2,724 2,725 2,733 10,735 2,736 1,738 2,744 1,747 7,748 6,749 3,750 9,751 2,753 5,757 1,758 2,760 1,763 2,772 2,777 2,778 4.117}
{0 CHEMBL1578641,1 4.488,2 0.014,3 0.096,4 3.24,5 1.2,6 420.29,7 2.863,8 14.999,9 29.762,10 0.424,11 0.83,12 4.041,13 5.192,14 16.048,15 17.504,16 18.845,17 20.279,18 21.653,19 3.266,20 3.311,21 1.302,22 78.6,23 0.051,24 3.104,25 4.255,26 3.908,27 1.302,28 44.494,29 12.077,30 0.86,31 0.834,32 298.772,33 2.961,34 1.326,35 3.98,36 5.662,37 3.505,38 3.523,39 1.686,40 434.135,41 627.85,42 405,43 3.898,44 4,45 4.432,46 4.589,47 4.669,48 4.849,49 3.976,50 3.896,51 4,53 17.37,54 17.37,55 17.37,56 17.37,57 17.37,58 15.523,59 10.059,60 17.965,61 10.836,62 29.41,63 4.648,64 626,65 1,66 1.365,67 0.493,68 0.549,69 0.79,70 -1.658,71 20.951,72 27.933,73 1.36,74 7818,75 77.343,76 4.133,77 240.215,78 4.615,79 -0.071,80 1,81 44,82 46,83 1,84 2.527,85 211.88,86 3.726,87 112.211,88 44.913,89 49.496,90 4.231,91 0.493,92 5.963,93 0.79,94 7.797,95 -1.658,96 9.67,97 11.563,98 13.468,99 7703,100 5.47,101 3.161,102 3.077,103 2.735,104 2.715,105 0.238,106 0.146,107 0.111,108 0.093,109 0.107,110 1.677,111 1.616,112 1.876,113 1.877,114 1.208,115 1.272,116 29.163,117 77.343,118 177.809,119 197.46,120 205.46,121 205.46,122 12.49,123 8.008,124 7.791,125 6.413,126 13.068,127 8.909,128 4.907,129 3.234,130 2.368,131 0.326,132 0.59,133 1.325,134 -0.167,135 2.406,136 1,137 5.914,138 0.346,139 0.177,140 4,141 3.095,142 1.861,143 1.032,144 1.601,145 2.098,146 148.858,147 -0.039,148 4.758,149 7.692,150 3.707,151 4,152 10.486,153 13.264,154 1.758,155 11.423,156 3.5,157 12.249,158 102.391,159 9.552,160 0.429,161 3.675,162 3.431,163 5.08,164 3.42,165 4.074,166 3.821,167 5.673,168 3.795,169 4.17,170 3.998,171 5.784,172 3.941,173 4.77,174 4.95,175 4.048,176 3.975,177 5.975,178 3.911,179 4.794,180 5.005,181 3.922,182 5.993,183 3.848,184 4.755,185 4.985,186 3.803,187 5.885,188 3.716,189 4.581,190 4.818,191 3.739,192 3.572,193 5.722,194 3.482,195 4.141,196 4.314,197 3.449,198 5.303,199 3.343,200 0.164,201 0.634,202 5.707,203 7.625,204 4.628,205 0.45,206 1.013,207 6.447,208 47.535,209 7.64,210 0.443,211 1.247,212 27.544,213 9.022,214 32.384,215 10.7,216 0.661,217 1.282,218 29.6,219 9.769,220 69.103,221 11.535,222 0.823,223 1.281,224 26.221,225 9.679,226 90.407,227 12.236,228 0.706,229 1.198,230 31.11,231 9.309,232 89.272,233 11.642,234 0.829,235 0.931,236 27.877,237 7.735,238 98.524,239 9.064,240 0.399,241 0.641,242 6.343,243 29.363,244 6.832,245 30,246 39,247 0.304,248 0.585,249 0.699,250 0.776,251 0.808,252 0.808,253 3.304,254 0.955,255 -4.22,256 -4.16,257 -3.93,258 1,259 40.9,263 1,264 4,268 7,269 1,280 1,285 2,287 5,288 2,289 6,294 7,295 2,296 10,301 5,302 3,303 7,309 1,310 4,313 1,314 6,319 2,320 3,323 1,325 2,326 3,328 4,330 2,331 5,334 6,335 952,336 22.593,337 13.694,338 13.694,339 13.694,340 13.694,341 13.694,342 14.592,343 3.702,344 2.076,345 1.418,346 0.972,347 0.79,348 0.79,349 3.982,353 1,355 275.779,358 1.775,359 33.014,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 57.25,370 297,371 4.47,372 3.816,373 6.652,374 4.075,375 3.118,376 4.173,377 2.612,378 10.654,379 2.983,380 4.257,381 3.695,382 6.39,383 3.942,384 2.961,385 3.787,386 9.665,387 2.903,388 3.787,389 5.631,390 3.438,391 2.506,392 3.186,393 7.403,394 2.33,395 3.72,396 2.876,397 5.291,398 3.265,399 2.356,400 3.114,401 0.8,402 6.612,403 2.135,404 3.644,405 2.782,406 5.215,407 3.179,408 2.242,409 2.897,410 0.293,411 6.322,412 2.073,413 3.215,414 2.339,415 4.923,416 2.859,417 1.942,418 2.359,420 5.61,421 1.698,422 2.786,423 1.959,424 4.349,425 2.382,426 1.425,427 1.804,428 3.848,429 1.339,430 2.597,431 1.827,432 3.668,433 2,434 1,435 1.589,436 2.425,437 1,438 2.5,439 1.259,440 3.597,441 2,442 1,443 1.5,444 2.275,445 1,446 2.291,447 1.146,448 3.414,449 1.967,450 1,451 1.121,452 2.275,453 0.965,454 2,455 1.039,456 3.414,457 1.863,458 0.861,459 1,460 2.155,461 0.825,462 1.645,463 2.903,464 1.114,465 1,466 2.558,467 0.714,468 -0.198,469 -0.23,470 -0.426,471 -0.129,472 1,473 0.432,474 2.311,475 0.575,476 -0.313,477 -0.398,479 -0.665,480 -0.258,481 0.991,482 0.137,483 2.159,484 0.27,485 -0.716,486 -0.852,488 -0.691,489 12.867,490 0.495,491 0.682,492 0.026,493 34.5,494 1.327,495 17.5,496 0.673,497 17,498 0.654,499 0.806,500 0.635,501 25.463,502 0.979,503 6.828,504 0.263,505 0.218,506 0.22,510 0.524,511 0.487,512 0.918,513 0.479,514 0.918,515 0.828,516 1.043,517 0.579,518 0.729,519 0.44,520 0.794,521 1.044,522 0.902,523 0.997,524 0.996,525 1.039,526 1.181,527 0.751,528 1.064,529 1.212,530 1.147,531 0.864,532 1.033,533 0.37,534 1.114,535 0.999,536 1.042,537 1.036,538 0.506,539 0.936,540 1.238,541 1.04,542 1.51,543 0.666,544 0.605,545 0.561,546 1.602,547 0.765,548 1.079,549 0.907,550 2.096,551 0.84,552 1.133,553 5.5,554 0.14,555 3.556,556 1.938,557 1.618,558 1.049,559 0.564,560 0.385,561 0.251,562 0.178,563 28063,564 2.014,565 40.9,567 18,573 1.688,574 1.857,575 3.448,576 -0.684,578 1,581 1.758,582 3.383,583 4.67,584 4.67,585 2.884,586 4.67,587 3.6,588 1169.95,589 8.081,590 14666.7,592 1,594 1,595 1.502,596 0.196,597 0.008,598 0.091,599 0.046,600 0.043,601 0.03,602 0.02,603 0.018,604 0.012,605 0.009,606 0.473,607 0.33,608 1,609 0.923,610 127.859,611 0.131,612 0.01,613 -0.054,614 0.001,615 0.085,616 0.025,617 0.134,618 0.163,619 0.102,620 0.033,621 -0.058,622 -0.06,623 0.03,624 -0.046,625 -0.067,626 -0.178,627 -0.088,628 -0.177,629 -0.118,630 -0.211,631 0.096,632 -0.063,633 0.027,634 -0.02,635 -0.033,636 -0.053,637 -0.066,638 -0.095,639 0.058,640 -0.088,641 -0.119,642 -0.071,643 -0.234,644 0.227,645 0.045,646 0.297,647 -0.247,648 0.19,649 -0.073,650 0.044,651 -0.228,652 -0.083,653 -0.039,654 -0.09,655 5.58,656 0.692,657 24.355,658 1.021,659 1.125,660 2.988,661 8.931,662 0.688,663 3.367,664 3.689,665 3.951,666 4.159,667 4.407,668 4.431,669 4.511,670 4.533,671 4.595,672 4.673,673 6.512,674 0.663,675 3.367,676 4.905,677 5.753,678 6.624,679 7.491,680 8.366,681 9.238,682 10.115,683 10.99,684 11.868,685 6.8,689 1,690 1,694 1,696 7,700 5,702 12,705 1,709 1,710 1,712 1,713 15,714 2,715 28,716 1,717 18,718 12,719 5,720 7,721 1,723 3,724 3,733 13,734 5,735 3,736 1,738 3,742 1,744 1,747 18,748 6,750 8,751 1,753 3,757 1,758 4,763 3,772 3,775 1,776 1,778 5.415}
{0 CHEMBL1579890,1 4.278,2 -0.048,3 0.089,4 3.317,5 0.655,6 278.76,7 2.32,8 13.104,9 16.115,10 -0.699,11 0.68,12 4.043,13 5.08,14 16.465,15 17.992,16 19.448,17 20.957,18 22.434,19 3.169,20 3.189,21 1.201,22 42.43,23 0.046,24 2.81,25 3.1,26 3.995,27 0.889,28 33.543,29 12.174,30 0.13,31 1.138,32 251.86,33 2.781,34 0.861,35 3.378,36 4.357,37 3.306,38 3.407,39 1.567,40 307.179,41 450.55,42 289,43 3.616,44 3.722,45 4.132,46 4.306,47 4.325,48 4.522,49 3.417,50 3.048,51 2,53 12.809,54 12.809,55 12.809,56 12.809,57 12.809,58 11.367,59 7.487,60 13.293,61 7.517,62 11.756,63 3.341,64 300,65 -0.352,66 0.254,67 -0.728,68 -1.057,69 -1.968,70 -3.791,71 14.002,72 20.819,73 1.475,74 2846,75 57.067,76 3.537,77 172.974,78 4.159,79 -0.119,80 1,81 34,82 35,83 1,84 2.291,85 176.567,86 3.039,87 76.711,88 34.367,89 38.266,90 3.527,91 -0.728,92 4.955,93 -1.968,94 6.458,95 -3.791,96 7.994,97 9.549,98 11.116,99 2977,100 5.39,101 3.089,102 2.934,103 2.225,104 2.228,105 0.326,106 0.202,107 0.154,108 0.11,109 0.148,110 1.438,111 1.407,112 1.584,113 1.638,114 1.256,115 1.145,116 21.988,117 57.067,118 137.464,119 145.464,120 145.464,121 145.464,122 9.151,123 6.107,124 5.892,125 4.925,126 9.44,127 6.541,128 3.119,129 1.991,130 1.121,131 0.316,132 0.828,133 1.211,134 -0.298,135 2.021,136 1,137 4.482,138 0.348,139 0.182,140 4,141 3.123,142 1.725,143 0.869,144 1.577,145 1.231,146 116.145,147 -0.054,148 4.46,149 7.532,150 2.999,151 2,152 10.513,153 13.487,154 1.678,155 7.789,156 3.348,157 11.208,158 73.883,159 8.199,160 0.55,161 3.26,162 3.154,163 4.751,164 3.134,165 3.622,166 3.493,167 5.295,168 3.452,169 3.695,170 3.598,171 5.404,172 3.555,173 4.33,174 4.482,175 3.637,176 3.515,177 5.607,178 3.483,179 4.326,180 4.534,181 3.41,182 5.49,183 3.344,184 4.079,185 4.291,186 3.32,187 5.257,188 3.233,189 4.019,190 4.222,191 3.092,192 3.332,193 4.999,194 3.194,195 4.115,196 4.384,197 3.239,198 5.081,199 3.037,200 0.034,201 0.466,202 6.063,203 4.787,204 3.83,205 0.32,206 0.72,207 4.821,208 22.988,209 6.412,210 0.26,211 0.81,212 19.071,213 6.052,214 25.076,215 7.738,216 0.412,217 0.748,218 17.995,219 5.965,220 45.365,221 6.898,222 0.46,223 0.717,224 19.28,225 5.945,226 55.656,227 7.069,228 0.319,229 0.623,230 15.572,231 5.046,232 34.042,233 6.622,234 0.14,235 0.619,236 12.599,237 4.984,238 19.412,239 6.652,240 0.256,241 0.642,242 5.38,243 31.225,244 7.739,245 24,246 27,247 0.312,248 0.636,249 0.752,250 0.796,251 0.796,252 0.796,253 3.01,254 0.981,255 -3.7,256 -3.67,257 -3.49,259 41.2,260 2,264 2,268 4,269 1,270 1,271 1,281 1,287 2,288 3,289 7,294 6,296 2,301 3,302 1,303 12,309 4,313 2,314 5,317 5,323 2,326 4,328 4,335 425,336 12.144,337 9.714,338 9.714,339 9.714,340 9.714,341 9.714,342 10.443,343 3.409,344 1.671,345 1.044,346 0.809,347 0.809,348 0.809,349 3.665,351 1,352 1,353 1,355 92.234,357 79.23,358 1.191,359 19.737,361 1,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 41.333,370 148,371 4.522,372 3.79,373 6.53,374 4.037,375 3.073,376 4.46,377 2.208,378 10.3,379 2.96,380 3.948,381 3.151,382 6.002,383 3.669,384 2.737,385 3.242,386 8.437,387 2.53,388 3.667,389 5.312,390 3.205,391 2.304,392 3.006,393 6.664,394 2.042,395 3.274,396 2.304,397 4.818,398 2.781,399 1.875,400 2.596,402 5.299,403 1.658,404 2.988,405 2.093,406 4.261,407 2.488,408 1.529,409 2.209,411 3.888,412 1.44,413 2.664,414 1.554,415 3.965,416 2.328,417 1.355,418 1.636,420 3.197,421 1.297,422 2.371,423 1.121,424 3.373,425 1.873,426 0.905,427 1.29,428 2.094,429 0.864,430 1.618,431 0.744,432 2.727,433 1.591,434 0.618,435 0.618,436 0.791,437 0.6,438 1.316,439 0.661,440 2.618,441 0.888,442 -0.037,443 -0.044,444 -0.079,445 -0.033,446 1.151,447 0.285,448 2.446,449 0.634,450 -0.238,451 -0.313,452 -0.532,453 -0.168,454 0.798,455 -0.001,456 2.273,457 0.62,458 -0.373,459 -0.427,460 -0.587,461 -0.369,462 0.733,463 2.121,464 0.426,465 -0.736,466 1.66,467 -0.062,468 -1,469 -1.364,470 -2.476,471 -0.825,472 0.146,473 -0.92,474 1.521,475 -0.399,476 -1.216,477 -1.618,479 -3.292,480 -1.094,481 -0.236,482 -1.199,483 1.115,484 -0.609,485 -1.553,486 -1.671,488 -1.475,489 9.181,490 0.483,491 0.435,492 0.023,493 24.25,494 1.276,495 12,496 0.632,497 12.25,498 0.645,499 0.737,500 0.612,501 16.062,502 0.845,503 4.795,504 0.252,505 0.229,506 0.223,510 0.703,511 0.6,512 1.092,513 0.579,514 0.979,515 0.615,516 1.018,517 0.63,518 0.792,519 0.468,520 0.803,521 0.922,522 0.884,523 0.854,524 0.778,525 1.71,526 1.128,527 1.005,528 1.095,529 1.677,530 1.077,531 1.858,532 0.828,533 0.874,534 2.07,535 0.802,536 0.708,537 0.897,538 0.831,539 0.95,540 1.045,541 0.928,542 0.669,543 1.251,544 0.971,545 1.234,546 0.931,547 1.3,548 0.258,549 1.147,550 0.785,551 0.332,552 1.26,553 4,555 2.444,556 1.375,557 0.987,558 0.569,559 0.366,560 0.236,561 0.156,562 0.071,563 9020,564 1.965,565 44.1,567 8,569 1,572 6,573 1.606,574 1.81,575 2.978,576 -0.724,578 1,580 1,581 1.678,582 3.416,583 4.278,584 4.278,585 2.465,586 4.22,587 3.086,588 527.683,589 7.202,590 5156.31,591 1,592 1,593 1,594 1,595 1.509,596 0.2,598 0.091,599 0.047,600 0.039,601 0.028,602 0.019,603 0.016,604 0.016,605 0.018,606 0.474,607 0.67,608 1,609 1.709,610 81.759,611 -0.022,612 0.027,613 -0.131,614 0.266,615 0.097,616 0.13,617 0.129,618 0.195,619 0.116,620 0.11,621 0.05,622 0.095,623 -0.017,624 0.163,625 -0.19,626 -0.16,627 -0.136,628 -0.16,629 -0.137,630 -0.19,631 -0.359,632 0.076,633 -0.027,634 0.238,635 -0.313,636 0.111,637 0.202,638 0.089,639 0.097,640 0.015,641 0.14,642 0.045,643 -0.074,644 -0.239,645 -0.197,646 -0.26,647 -0.133,648 -0.309,649 0.239,650 -0.199,651 0.037,652 -0.26,653 0.176,654 -0.237,655 4.943,656 0.526,657 12.072,658 1.011,659 1.125,660 2.474,661 6.121,662 0.68,663 3.045,664 3.332,665 3.584,666 3.784,667 3.951,668 3.989,669 3.989,670 4.043,671 3.97,672 3.689,673 4.758,674 0.647,675 3.045,676 4.554,677 5.389,678 6.252,679 7.106,680 7.976,681 8.837,682 9.711,683 10.575,684 11.452,685 5.9,690 1,693 1,695 2,696 5,697 1,700 2,702 11,711 1,713 12,714 1,715 20,717 14,718 9,719 3,720 3,723 2,724 3,725 1,727 2,733 10,734 4,735 1,738 1,742 1,743 1,744 1,747 15,748 4,750 5,751 1,753 2,757 0.5,758 2,759 1,763 2,765 1,772 1,776 2,777 1,778 5.142}
{0 CHEMBL1581146,1 5.259,2 -0.025,3 0.087,4 3.937,5 1.631,6 548.42,7 2.853,8 17.123,9 35.39,10 1.17,11 0.796,12 4.534,13 5.756,14 16.855,15 18.367,16 19.804,17 21.304,18 22.771,19 3.55,20 3.565,21 1.277,22 92.95,23 0.047,24 3.632,25 5.44,26 4.043,27 1.5,28 54.648,29 12.664,30 1.2,31 0.829,32 354.906,33 3.325,34 1.508,35 4.296,36 7.791,37 3.794,38 3.83,39 1.739,40 599.937,41 882.61,42 565,43 4.181,44 4.268,45 4.713,46 4.846,47 4.96,48 5.13,49 4.395,50 5.113,51 1,52 10,53 24.499,54 24.499,55 24.499,56 24.499,57 24.499,58 21.616,59 14.415,60 24.99,61 15.236,62 16.349,63 6.831,64 1131,65 1.611,66 2.188,67 1.209,68 1.635,69 2.931,70 2.017,71 31.188,72 36.9,73 1.294,74 21763,75 96.909,76 4.76,77 339.763,78 5.109,79 0.083,80 1,81 58,82 62,83 3,84 3.448,85 258.964,86 4.698,87 182.117,88 59.007,89 64.536,90 3.819,91 1.209,92 5.001,93 2.931,94 6.287,95 2.017,96 7.633,97 9.015,98 10.422,99 20173,100 5.605,101 3.613,102 3.403,103 2.941,104 2.91,105 0.168,106 0.104,107 0.079,108 0.052,109 0.078,110 1.786,111 1.728,112 1.918,113 1.938,114 1.5,115 1.536,116 39.931,117 96.909,118 262.954,119 305.008,120 317.763,121 317.763,122 17.491,123 11.299,124 11.065,125 9.064,126 18.069,127 12.221,128 6.528,129 4.551,130 3.023,131 0.328,132 0.818,133 1.036,134 -0.218,135 2.259,136 2,137 7.282,138 0.347,139 0.185,140 6,141 3.593,142 1.945,143 1.067,144 1.696,145 1.088,146 208.715,147 -0.022,148 5.056,149 8.104,150 4.429,151 10,152 11.02,153 13.928,154 1.671,155 14.25,156 4.323,157 18.684,158 134.629,159 9.456,160 0.55,161 3.954,162 3.768,163 5.352,164 3.765,165 4.362,166 4.156,167 5.9,168 4.138,169 4.434,170 4.295,171 6.147,172 4.244,173 4.996,174 5.158,175 4.404,176 4.251,177 6.231,178 4.215,179 5.01,180 5.182,181 4.2,182 6.315,183 4.167,184 4.91,185 5.082,186 4.192,187 6.052,188 4.132,189 4.89,190 5.067,191 4.343,192 4.144,193 6.164,194 4.086,195 4.812,196 4.982,197 4.059,198 6.137,199 4.002,200 0.096,201 0.784,202 7.08,203 10.756,204 5.66,205 0.496,206 1.326,207 8.472,208 32.615,209 9.406,210 0.776,211 1.641,212 34.002,213 11.874,214 68.001,215 13.571,216 0.65,217 1.613,218 31.623,219 12.393,220 99.242,221 13.204,222 1.117,223 1.58,224 37.128,225 12.334,226 133.14,227 13.148,228 0.662,229 1.461,230 31.042,231 11.922,232 58.237,233 13.283,234 0.663,235 1.438,236 28.364,237 11.507,238 103.153,239 12.769,240 0.868,241 1.313,242 10.962,243 93.3,244 11.878,245 17,246 56,247 0.267,248 0.576,249 0.726,250 0.842,251 0.877,252 0.877,253 3.615,254 0.917,255 -4.04,256 -3.99,257 -3.78,258 1,259 46.6,264 5,268 11,269 3,271 2,275 1,276 1,280 3,287 11,288 3,289 8,294 13,295 5,296 11,301 12,303 6,309 9,310 6,313 2,314 11,317 9,319 1,320 5,323 8,325 5,326 12,328 5,330 1,331 10,334 2,335 2544,336 16.074,337 19.726,338 19.726,339 19.726,340 19.726,341 19.726,342 20.51,343 4.187,344 2.259,345 1.324,346 0.599,347 0.379,348 0.379,349 4.32,354 115.821,355 440.647,357 177.511,358 2.139,359 46.495,362 0.75,363 0.83,364 0.83,365 0.5,366 0.5,367 0.83,368 0.75,369 78.25,370 513,371 4.605,372 3.784,373 6.704,374 4.161,375 3.175,376 4.526,377 2.082,378 10.887,379 3.129,380 4.25,381 3.693,382 6.395,383 3.968,384 2.991,385 3.784,386 9.682,387 2.925,388 4.156,389 6.119,390 3.755,391 2.782,392 3.74,393 8.979,394 2.705,395 3.955,396 3.045,397 6.017,398 3.713,399 2.744,400 3.239,401 0.616,402 8.534,403 2.643,404 3.794,405 2.875,406 5.662,407 3.383,408 2.408,409 3.094,410 0.293,411 7.402,412 2.34,413 3.599,414 2.547,415 5.241,416 3.18,417 2.213,418 3.015,419 0.106,420 6.366,421 2.132,422 3.5,423 2.512,424 5.05,425 3.104,426 2.21,427 2.731,428 6.077,429 1.908,430 3.044,431 2.213,432 4.559,433 2.628,434 1.665,435 2.257,436 4.512,437 1.595,438 2.999,439 1.975,440 4.321,441 2.496,442 1.534,443 2.175,444 4.051,445 1.463,446 2.867,447 1.862,448 4.187,449 2.464,450 1.457,451 1.95,452 3.676,453 1.439,454 2.805,455 1.701,456 3.833,457 2.295,458 1.326,459 1.89,460 2.971,461 1.226,462 2.593,463 3.638,464 2.479,465 1.37,466 3.542,467 2.089,468 1.094,469 1.447,470 2.538,471 1.081,472 2.252,473 1.146,474 3.459,475 1.967,476 1,477 1.116,479 2.275,480 0.965,481 2.118,482 1.122,483 3.414,484 1.764,485 0.79,486 1,488 0.763,489 17.7,490 0.492,491 0.853,492 0.024,493 48.25,494 1.34,495 24.5,496 0.681,497 23.75,498 0.66,499 0.866,500 0.636,501 39.728,502 1.104,503 9.7,504 0.269,505 0.216,506 0.132,510 0.696,511 0.488,512 0.926,513 0.528,514 0.861,515 0.841,516 1.063,517 0.599,518 0.811,519 0.576,520 0.852,521 0.926,522 0.907,523 0.921,524 0.95,525 1.345,526 1.143,527 0.753,528 1.004,529 1.617,530 1.03,531 1.4,532 0.81,533 0.744,534 1.396,535 0.871,536 1.143,537 0.956,538 0.774,539 0.933,540 0.925,541 0.995,542 1.17,543 1.053,544 0.736,545 0.919,546 1.34,547 0.98,548 0.984,549 0.935,550 1.104,551 1.31,552 0.991,553 6.5,554 0.168,555 4.667,556 2.278,557 2.031,558 1.264,559 0.801,560 0.641,561 0.416,562 0.263,563 67361,564 2.12,565 37.9,567 21,568 1,573 1.772,574 2,575 3.773,576 -0.744,581 1.671,582 3.599,583 5.479,584 5.479,585 3.226,586 5.141,587 3.988,588 2512.18,589 9.026,590 41215,595 1.352,596 0.162,597 0.005,598 0.083,599 0.039,600 0.037,601 0.024,602 0.016,603 0.014,604 0.009,605 0.007,606 0.397,607 0.33,608 0.75,609 0.496,610 198.594,611 -0.032,612 0.01,613 -0.081,614 0.029,615 0.035,616 0.008,617 0.045,618 0.037,619 0.01,620 0.121,621 -0.048,622 0.011,623 0.04,624 -0.01,625 -0.201,626 -0.16,627 -0.041,628 -0.091,629 -0.21,630 -0.099,631 -0.043,632 0.162,633 -0.007,634 0.125,635 -0.037,636 0.065,637 -0.094,639 -0.022,640 0.008,641 -0.055,642 -0.025,643 -0.084,644 -0.087,645 0.035,646 0.02,647 -0.039,648 -0.011,649 0.173,650 0.031,651 0.063,652 -0.014,653 0.037,654 -0.01,655 6.076,656 0.75,657 43,658 1.017,659 1.113,660 2.81,661 7.895,662 0.711,663 3.714,664 4.043,665 4.331,666 4.575,667 4.796,668 4.883,669 5.037,670 5.118,671 5.209,672 5.236,673 8.464,674 0.688,675 3.714,676 5.263,677 6.12,678 6.997,679 7.869,680 8.75,681 9.628,682 10.511,683 11.393,684 12.278,685 5.2,690 2,693 1,695 2,696 12,697 1,698 1,700 5,702 22,705 1,706 1,713 25,714 2,715 40,716 1,717 27,718 19,719 4,720 8,721 2,723 5,724 6,733 22,734 5,735 3,738 3,742 3,746 1,747 22,748 8,750 9,751 1,753 3,757 0.8,758 5,759 1,762 1,763 4,765 1,769 1,772 4,775 1,778 5.552}
{0 CHEMBL1581772,1 4.458,2 0.017,3 0.099,4 2.55,5 0.655,6 304.8,7 2.32,8 15.109,9 16.933,10 -0.293,11 0.655,12 4.037,13 5.128,14 16.466,15 17.993,16 19.449,17 20.957,18 22.435,19 3.278,20 3.364,21 1.336,22 42.43,23 0.054,24 2.811,25 3.406,26 3.995,27 1.113,28 32.14,29 12.177,30 0.13,31 0.911,32 275.402,33 2.874,34 1.09,35 3.465,36 5.486,37 3.355,38 3.405,39 1.564,40 323.813,41 475.71,42 305,43 3.739,44 3.845,45 4.303,46 4.47,47 4.613,48 4.832,49 3.562,50 3.539,51 2,53 14.345,54 14.345,55 14.345,56 14.345,57 14.345,58 12.903,59 8.686,60 14.757,61 9.179,62 11.756,63 4.152,64 389,65 -0.001,66 0.62,67 -0.295,68 -0.348,69 -0.65,70 -2.476,71 16.838,72 22.819,73 1.39,74 4310,75 61.934,76 4.107,77 199.421,78 4.338,79 -0.032,80 1,81 38,82 40,83 1,84 2.541,85 200.109,86 3.351,87 86.239,88 38.251,89 42.681,90 3.527,91 -0.295,92 4.955,93 -0.65,94 6.458,95 -2.476,96 7.994,97 9.549,98 11.116,99 4177,100 5.48,101 3.142,102 3.097,103 2.583,104 2.592,105 0.284,106 0.176,107 0.134,108 0.096,109 0.129,110 1.636,111 1.573,112 1.873,113 1.869,114 1.406,115 1.193,116 24.514,117 61.934,118 153.421,119 169.421,120 169.421,121 169.421,122 10.237,123 7.193,124 7.046,125 5.819,126 10.526,127 7.627,128 3.961,129 2.762,130 1.942,131 0.285,132 0.667,133 1.187,134 -0.224,135 1.945,136 1,137 4.491,138 0.331,139 0.181,140 2,141 3.125,142 1.86,143 1.177,144 1.576,145 5.992,146 126.792,147 -0.022,148 4.46,149 7.532,150 3.273,151 6,152 10.514,153 13.488,154 1.63,155 8.619,156 4.024,157 16.189,158 81.129,159 8.021,160 0.478,161 3.375,162 3.303,163 4.796,164 3.277,165 3.744,166 3.698,167 5.382,168 3.639,169 3.845,170 3.862,171 5.56,172 3.782,173 4.635,174 4.857,175 3.692,176 3.712,177 5.692,178 3.626,179 4.396,180 4.619,181 3.459,182 5.536,183 3.417,184 4.115,185 4.266,186 3.367,187 5.406,188 3.322,189 4.088,190 4.279,191 3.258,192 3.466,193 5.024,194 3.346,195 4.238,196 4.478,197 3.489,198 5.155,199 3.324,200 0.021,201 0.528,202 7.089,203 3.717,204 4.499,205 0.302,206 0.871,207 6.004,208 23.34,209 7.998,210 0.248,211 1.096,212 25.152,213 8.616,214 26.309,215 11.458,216 0.489,217 1.022,218 26.618,219 8.345,220 51.101,221 10.634,222 0.377,223 0.775,224 21.03,225 6.504,226 46.23,227 7.967,228 0.429,229 0.631,230 15.562,231 4.795,232 48.451,233 5.51,234 0.12,235 0.681,236 13.232,237 5.391,238 16.364,239 7.168,240 0.232,241 0.768,242 6.203,243 29.498,244 8.741,245 5,246 31,247 0.294,248 0.602,249 0.729,250 0.805,251 0.805,252 0.805,253 3.103,254 0.995,255 -3.8,256 -3.77,257 -3.58,259 42.1,261 4,264 2,268 4,269 1,270 1,271 1,281 1,287 5,288 3,289 7,294 8,296 4,301 4,302 1,303 12,309 3,313 2,314 5,317 5,323 6,326 4,328 6,331 2,334 4,335 535,336 12.144,337 11.376,338 11.376,339 11.376,340 11.376,341 11.376,342 12.077,343 3.618,344 1.911,345 1.211,346 0.789,347 0.789,348 0.789,349 3.788,351 1,352 1,353 1,355 98.423,356 70.56,357 84.351,358 1.256,359 20.905,361 1,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 45.333,370 181,371 4.522,372 3.792,373 6.53,374 4.037,375 3.074,376 4.46,377 2.208,378 10.302,379 2.96,380 3.959,381 3.152,382 6.021,383 3.696,384 2.762,385 3.244,386 8.569,387 2.562,388 3.672,389 5.315,390 3.216,391 2.312,392 3.014,393 6.689,394 2.057,395 3.279,396 2.386,397 4.821,398 2.849,399 1.919,400 2.599,402 5.322,403 1.781,404 2.999,405 2.104,406 4.31,407 2.713,408 1.741,409 2.212,411 4.105,412 1.642,413 2.904,414 1.584,415 4.068,416 2.471,417 1.51,418 1.917,420 3.641,421 1.423,422 2.442,423 1.554,424 3.605,425 2.237,426 1.247,427 1.424,428 2.89,429 1.233,430 2.315,431 1.298,432 3.414,433 2.189,434 1.224,435 1.247,436 2.606,437 1.167,438 2.247,439 1.12,440 3.366,441 1.863,442 0.892,443 1.221,444 2.092,445 0.853,446 1.315,447 0.657,448 2.745,449 0.895,450 -0.034,451 -0.041,452 -0.085,453 -0.031,454 1.151,455 0.282,456 2.448,457 0.711,458 -0.237,459 -0.305,460 -0.558,461 -0.167,462 0.84,463 2.273,464 0.747,465 -0.287,466 2.163,467 0.521,468 -0.445,469 -0.445,470 -1,471 -0.428,472 0.555,473 -0.321,474 2,475 0.254,476 -0.726,477 -1.048,479 -1.968,480 -0.695,481 0.433,482 -0.734,483 1.808,484 -0.06,485 -1,486 -1.356,488 -0.822,489 10.181,490 0.485,491 0.435,492 0.021,493 25.75,494 1.226,495 12,496 0.571,497 13.75,498 0.655,499 0.802,500 0.601,501 16.53,502 0.787,503 4.751,504 0.226,505 0.261,506 0.103,510 0.682,511 0.606,512 1.056,513 0.512,514 0.956,515 0.582,516 1.109,517 0.704,518 0.938,519 0.427,520 0.961,521 1.036,522 0.821,523 0.95,524 0.89,525 1.428,526 0.962,527 0.896,528 0.948,529 1.365,530 0.966,531 1.771,532 0.817,533 0.719,534 1.99,535 0.654,536 1.786,537 0.853,538 1.139,539 0.902,540 2.326,541 0.975,542 0.683,543 1.173,544 0.949,545 1.151,546 0.943,547 1.202,548 0.26,549 1.126,550 0.792,551 0.339,552 1.228,553 3.5,554 0.038,555 2.222,556 1.25,557 1.022,558 0.618,559 0.31,560 0.174,561 0.113,562 0.067,563 11744,564 2.102,565 44.7,566 4,567 8,569 1,572 4,573 1.632,574 2,575 3.116,576 -0.75,578 1,581 1.63,582 3.337,583 4.458,584 4.458,585 2.512,586 4.368,587 3.224,588 676.977,589 7.484,590 7109.54,592 1,593 1,594 1,595 1.268,596 0.152,597 0.009,598 0.072,599 0.037,600 0.039,601 0.026,602 0.015,603 0.009,604 0.007,605 0.007,606 0.373,607 0.67,608 1,609 0.532,610 94.247,611 -0.013,612 0.033,613 -0.087,614 0.242,615 0.006,616 0.036,617 -0.003,618 0.197,619 -0.033,620 -0.037,621 0.064,622 0.007,623 0.041,624 0.081,625 -0.101,626 -0.025,627 -0.018,628 -0.023,629 -0.062,630 -0.034,631 -0.212,632 0.082,633 0.165,634 0.269,635 -0.161,636 0.272,637 -0.131,638 0.161,639 -0.163,640 0.039,641 -0.177,642 -0.098,643 -0.083,644 -0.14,645 -0.172,646 -0.17,647 -0.133,648 -0.215,649 0.205,650 -0.131,651 -0.005,652 -0.222,653 0.133,654 -0.218,655 5.288,656 0.81,657 13.401,658 1.007,659 1.123,660 2.575,661 6.629,662 0.681,663 3.178,664 3.466,665 3.714,666 3.951,667 4.174,668 4.234,669 4.19,670 4.29,671 4.29,672 4.19,673 5.179,674 0.645,675 3.178,676 4.691,677 5.525,678 6.385,679 7.238,680 8.104,681 8.964,682 9.834,683 10.698,684 11.571,685 5.3,690 1,693 1,695 2,696 5,697 1,700 2,702 11,711 1,713 12,714 1,715 23,717 16,718 9,719 3,720 3,723 3,724 4,725 1,729 4,731 4,733 10,734 6,735 1,738 1,742 1,744 1,747 17,748 4,750 5,751 1,753 2,757 0.667,758 2,759 1,763 2,764 1,765 1,772 2,777 1,778 5.414}
{0 CHEMBL1584597,1 4.196,2 -0.068,3 0.096,4 3.464,5 1.397,6 301.79,7 2.74,8 13.477,9 10.907,10 -0.747,11 1.049,12 3.709,13 4.927,14 15.61,15 17.068,16 18.348,17 19.769,18 21.087,19 3.138,20 3.182,21 1.192,22 46.17,23 0.052,24 3.072,25 3.573,26 3.907,27 1.107,28 39.228,29 11.762,30 0.316,31 0.868,32 266.005,33 2.805,34 1.062,35 3.648,36 4.36,37 3.266,38 3.35,39 1.507,40 302.186,41 440.37,42 283,43 3.675,44 3.78,45 4.167,46 4.316,47 4.402,48 4.555,49 3.705,50 3.355,51 1,52 4,53 13.742,54 13.742,55 13.742,56 13.742,57 13.742,58 11.937,59 8.095,60 13.823,61 8.098,62 10.839,63 3.786,64 375,65 -0.069,66 0.28,67 -0.75,68 -1,69 -1.609,70 -3.106,71 15.564,72 22.119,73 1.073,74 3982,75 57.263,76 3.916,77 192.75,78 4.294,79 0.211,81 37,82 38,83 2,84 2.11,85 176.567,86 3.229,87 78.239,88 37.149,89 41.183,90 4.069,91 -0.75,92 5.649,93 -1.609,94 7.358,95 -3.106,96 9.128,97 10.924,98 12.732,99 4052,100 5.267,101 3.101,102 2.959,103 2.495,104 2.48,105 0.296,106 0.184,107 0.139,108 0.113,109 0.136,110 1.485,111 1.471,112 1.678,113 1.657,114 1.226,115 1.181,116 24.493,117 57.263,118 137.24,119 155.24,120 161.24,121 161.24,122 10.003,123 6.599,124 6.3,125 5.283,126 10.292,127 7.045,128 3.644,129 2.247,130 1.334,131 0.34,132 0.978,133 0.814,134 0.018,135 2.577,137 4.894,138 0.35,139 0.171,140 4,141 3.125,142 1.639,143 0.729,144 1.557,146 119.098,147 0.027,148 4.443,149 7.348,150 2.947,151 7,152 10.124,153 12.871,154 1.548,155 8.667,156 4.166,157 17.354,158 83.848,159 8.156,160 0.545,161 3.307,162 3.309,163 4.842,164 3.265,165 3.675,166 3.67,167 5.316,168 3.603,169 3.897,170 3.758,171 5.758,172 3.701,173 4.468,174 4.668,175 3.723,176 3.717,177 5.778,178 3.623,179 4.434,180 4.641,181 3.656,182 5.677,183 3.552,184 4.363,185 4.57,186 3.523,187 5.664,188 3.429,189 4.121,190 4.313,191 3.292,192 3.356,193 5.396,194 3.246,195 3.863,196 4.025,197 3.188,198 5.116,199 3.105,200 0.019,201 0.461,202 6.365,203 6.598,204 4.247,205 0.105,206 0.722,207 5.804,208 21.194,209 7.473,210 0.323,211 0.886,212 18.941,213 6.89,214 53.922,215 8.445,216 0.355,217 0.953,218 21.027,219 7.326,220 65.064,221 9.317,222 0.197,223 0.85,224 22.872,225 7.866,226 44.167,227 9.794,228 0.361,229 0.749,230 23.596,231 7.022,232 76.88,233 8.091,234 0.281,235 0.572,236 23.741,237 5.927,238 46.286,239 6.97,240 0.224,241 0.49,242 4.075,243 46.914,244 4.649,245 26,246 30,247 0.28,248 0.583,249 0.672,250 0.76,251 0.789,252 0.789,253 3.103,254 0.961,255 -4.68,256 -4.6,257 -4.32,259 45.9,260 2,265 1,268 8,269 3,279 1,280 1,287 12,289 1,291 1,293 2,294 12,296 4,300 5,301 10,302 1,303 5,305 1,307 2,309 5,312 2,314 5,316 2,317 7,320 5,322 1,323 9,326 1,328 13,334 12,335 550,336 10.979,337 10.77,338 10.77,339 10.77,340 10.77,341 10.77,342 10.942,343 3.662,344 1.991,345 1.5,346 1.014,347 0.852,348 0.852,349 3.755,350 1,353 1,355 154.496,358 1.333,359 24.913,361 1,362 1,363 1,364 1,365 0.6,366 0.5,367 1,368 0.87,369 44.833,370 182,371 4.366,372 4.048,373 6.522,374 4.042,375 3.064,376 3.998,377 2.482,378 10.014,379 2.985,380 4.25,381 3.417,382 6.375,383 3.908,384 2.917,385 3.734,386 9.553,387 2.887,388 3.741,389 5.575,390 3.369,391 2.383,392 3.05,393 7.062,394 2.318,395 3.232,396 2.313,397 4.841,398 2.879,399 1.879,400 2.481,402 5.104,403 1.879,404 3.201,405 2.147,406 4.461,407 2.745,408 1.731,409 2.413,411 4.246,412 1.745,413 2.872,414 2.096,415 3.963,416 2.416,417 1.433,418 2.026,420 3.316,421 1.402,422 2.6,423 1.557,424 3.584,425 2.118,426 1.13,427 1.573,428 2.661,429 1.089,430 2.5,431 1.323,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 1.864,439 1,440 3.135,441 1.454,442 0.505,443 0.621,444 1.186,445 0.444,446 1.56,447 0.932,448 2.618,449 1.14,450 0.204,451 0.252,452 0.451,453 0.161,454 1,455 0.17,456 2.352,457 0.653,458 -0.347,459 -0.445,460 -0.757,461 -0.347,462 0.748,463 2.124,464 0.593,465 -0.11,466 1.756,467 0.224,468 -0.802,469 -1.076,470 -2.024,471 -0.793,472 0.5,473 -0.53,474 1.555,476 -1,477 -1.5,479 -2.347,480 -1,481 0.045,482 -0.823,483 1.396,484 -0.251,485 -1.25,486 -1.544,488 -1.006,489 10.281,490 0.49,491 0.583,492 0.028,493 27.75,494 1.321,495 15.5,496 0.738,497 12.25,498 0.583,499 0.741,500 0.598,501 19.827,502 0.944,503 5.643,504 0.269,505 0.208,506 0.232,510 0.565,511 0.618,512 0.893,513 0.557,514 0.877,515 0.597,516 1.083,517 0.796,518 0.972,519 0.632,520 0.929,521 1.26,522 0.827,523 1.144,524 1.059,525 1.015,526 1.034,527 0.961,528 0.972,529 0.9,530 1.009,531 1.209,532 1.091,533 1.062,534 1.179,535 0.981,536 1.967,537 0.793,538 1.273,539 0.747,540 2.009,541 0.778,542 1.848,543 0.765,544 2.225,545 1.232,546 1.483,547 1.052,548 1.815,549 0.722,550 1.081,551 2.085,552 0.984,553 4,554 0.041,555 3.111,556 1.75,557 1.284,558 0.632,559 0.408,560 0.29,561 0.128,562 0.06,563 11746,564 1.941,565 43.2,566 6,567 9,570 1,573 1.633,574 1.775,575 3.107,576 -0.338,578 1,581 1.548,582 3.219,583 4.358,584 4.358,585 2.475,586 4.369,587 3.238,588 679.9,589 7.488,590 7248.4,592 1,593 1,594 1,595 1.545,596 0.182,597 0.007,598 0.104,599 0.055,600 0.048,601 0.025,602 0.019,603 0.016,604 0.009,605 0.005,606 0.468,607 0.5,608 1,609 0.702,610 94.649,611 -0.028,612 0.004,613 0.026,614 0.091,615 -0.052,616 0.036,617 -0.016,618 -0.01,619 0.016,620 -0.233,621 0.079,622 -0.209,623 0.1,624 -0.148,625 0.079,626 0.011,627 -0.028,628 -0.044,629 0.144,630 -0.083,631 -0.05,632 -0.158,633 0.064,634 -0.052,635 0.004,636 0.001,637 -0.291,638 0.134,639 0.045,640 0.261,641 -0.24,642 0.178,643 -0.329,644 0.145,645 -0.458,646 -0.146,647 -0.158,648 -0.058,649 -0.435,650 0.252,651 -0.33,652 0.119,653 -0.422,654 -0.081,655 5.168,656 0.571,657 14.2,658 1.004,659 1.113,660 3.449,661 11.894,662 0.699,663 3.135,664 3.434,665 3.664,666 3.784,667 3.892,668 3.738,669 3.664,670 3.611,671 3.555,672 3.434,673 5.262,674 0.662,675 3.135,676 4.654,677 5.485,678 6.337,679 7.183,680 8.038,681 8.889,682 9.745,683 10.597,684 11.454,685 2.7,690 1,696 8,700 4,702 12,704 1,713 14,714 2,715 22,717 17,718 12,719 4,720 8,721 1,722 1,723 2,724 2,725 1,727 2,731 1,733 14,734 3,735 2,738 2,742 2,744 1,747 16,748 3,749 1,750 4,751 1,753 1,757 1,758 2,763 2,768 1,772 2,776 2,777 1,778 6.107}