@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2073

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1173655,CHEMBL119385,CHEMBL1221633,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1276179,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1721885,CHEMBL1765781,CHEMBL1778662,CHEMBL1789941,CHEMBL180022,CHEMBL1834657,CHEMBL185140,CHEMBL189338,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1945559,CHEMBL1949788,CHEMBL1949789,CHEMBL215152,CHEMBL217090,CHEMBL217092,CHEMBL2171124,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL230685,CHEMBL230686,CHEMBL2309006,CHEMBL2309609,CHEMBL2333365,CHEMBL2333436,CHEMBL2333445,CHEMBL2333595,CHEMBL2333602,CHEMBL2333603,CHEMBL24828,CHEMBL249097,CHEMBL249697,CHEMBL249821,CHEMBL250213,CHEMBL250214,CHEMBL250625,CHEMBL255863,CHEMBL256101,CHEMBL259084,CHEMBL261849,CHEMBL265777,CHEMBL268825,CHEMBL278041,CHEMBL288441,CHEMBL291759,CHEMBL292930,CHEMBL293712,CHEMBL296185,CHEMBL296468,CHEMBL298566,CHEMBL300138,CHEMBL300853,CHEMBL301143,CHEMBL301271,CHEMBL31965,CHEMBL364623,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL400402,CHEMBL403989,CHEMBL428690,CHEMBL436137,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL495727,CHEMBL509032,CHEMBL513909,CHEMBL515414,CHEMBL521851,CHEMBL522892,CHEMBL52513,CHEMBL525191,CHEMBL535,CHEMBL54283,CHEMBL553,CHEMBL554,CHEMBL55496,CHEMBL55594,CHEMBL558752,CHEMBL56109,CHEMBL56569,CHEMBL57143,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL59042,CHEMBL600795,CHEMBL601719,CHEMBL602471,CHEMBL602472,CHEMBL605003,CHEMBL607707,CHEMBL608154,CHEMBL77638,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_NN numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.081 numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.80 numeric
@attribute I.099 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute N.079 numeric
@attribute n124.Triazines numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArC.N numeric
@attribute nArCNO numeric
@attribute nArCO numeric
@attribute nArCONH2 numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCH2RX numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdssS numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nImidazoles numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN. numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nNq numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nOxolanes numeric
@attribute nP numeric
@attribute nPO4 numeric
@attribute nP..O.O2R numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR03 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR11 numeric
@attribute nR12 numeric
@attribute nR.C. numeric
@attribute nR.CH.X numeric
@attribute nRCN numeric
@attribute nRCONH2 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nRCOOR numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute nRNHO numeric
@attribute nRNHR numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute NsI numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO numeric
@attribute nS..O.2 numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute NssssN. numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute NtN numeric
@attribute nTriazoles numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute O.062 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.117 numeric
@attribute P.120 numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S.109 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdssS numeric
@attribute SdsssP numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute SssssN. numeric
@attribute StCH numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,118 48.8,123 1,138 10,139 3,140 2,141 2,142 1,148 1,154 1,163 10,167 4,170 1,172 2,173 9,177 8,182 5,184 5,188 8,193 4,195 6,200 1,203 1,205 2,208 14,212 1,213 1,221 18,224 1,225 3,228 1,233 12,237 4,245 4,249 4,260 1123,261 18.361,262 18.361,263 18.361,264 18.361,265 18.361,266 15.561,267 4.368,268 10.837,269 18.876,270 14.814,271 14.814,272 14.814,273 14.814,274 14.814,275 10.659,276 2.498,277 5.164,278 15.642,279 3.744,280 2.087,281 1.302,282 0.762,283 0.669,284 0.669,285 4.038,287 1,288 1,289 1,290 587,291 2.646,293 74.848,294 265.59,301 1.451,302 27.251,304 1,305 1,306 1,307 1,308 0.6,310 1,311 1,312 0.8,313 58,314 271,315 4.568,316 4.698,317 6.747,318 4.172,319 3.204,320 4.301,321 2.95,322 11.08,323 3.103,324 4.196,325 3.207,326 6.1,327 3.769,328 2.819,329 3.802,331 8.88,332 2.706,333 3.986,334 2.897,335 5.879,336 3.558,337 2.592,338 3.578,340 8.043,341 2.526,342 3.913,343 2.729,344 5.772,345 3.479,346 2.553,347 3.377,349 7.837,350 2.294,351 3.621,352 2.51,353 5.054,354 3.176,355 2.229,356 3.038,358 6.071,359 2.091,360 3.253,361 2.432,362 4.69,363 2.752,364 1.805,365 2.55,367 4.948,368 1.696,369 2.997,370 1.854,371 4.272,372 2.455,373 1.527,374 2.177,376 3.75,377 1.403,378 2.727,379 1.488,380 3.913,381 2.169,382 1.23,383 1.772,385 3.032,386 1.139,387 2.5,388 1.172,389 3.711,390 2,391 1,392 1.5,394 2.575,395 1,396 2.5,397 1,398 3.456,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.414,408 1.984,409 1,410 1.5,411 2.275,412 0.983,413 2.44,414 1,415 3.414,416 1.892,417 0.945,418 1.382,419 2.192,420 0.886,421 2.277,422 0.826,423 3.247,424 1.716,425 0.792,426 1.169,427 2.136,428 0.73,429 1.137,430 0.62,431 2.605,432 0.725,433 -0.188,434 -0.236,435 -0.422,436 -0.166,437 0.965,438 0.301,439 2.512,440 0.504,441 -0.453,442 -0.594,443 -1.096,444 -0.422,445 13.152,446 0.487,447 0.644,448 0.024,449 40.5,450 1.5,451 23.5,452 0.87,453 17,454 0.63,455 17.941,456 0.664,457 27.048,458 0.629,459 29.792,460 1.103,461 8.054,462 0.298,463 5.06,464 0.187,465 0.085,467 0.367,470 1,471 0.545,472 0.959,473 0.724,474 0.931,475 0.569,476 0.805,477 0.683,478 1.023,479 1.025,480 1.087,481 0.581,482 0.931,483 1.117,484 1.081,485 1.027,486 1.01,487 1.067,488 1.008,489 1.059,490 1.04,491 1.039,492 0.992,493 0.909,494 1.052,495 0.717,496 0.694,497 0.72,498 0.677,499 0.564,500 0.839,501 0.446,502 0.776,503 0.686,504 0.856,505 0.416,506 0.929,507 0.461,508 0.996,509 0.879,510 1.094,511 0.567,512 1.166,513 0.905,514 0.972,515 0.883,516 0.948,517 0.88,518 1.093,519 5,520 0.136,521 3.333,522 1.41,523 1.466,524 1.202,525 0.457,526 0.28,527 0.357,528 0.275,529 8549,530 27336,531 2.12,532 37.2,534 13,536 2,537 1,542 1.706,543 2,544 3.291,545 -0.346,547 1,550 72.336,551 1.682,552 3.339,553 4.125,554 4.665,555 4.758,556 4.758,557 2.75,558 4.236,559 4.72,560 3.463,561 1215.67,562 8.228,563 15393.9,565 1,567 1,568 233.329,569 1.352,570 4.694,571 0.167,572 0.008,573 0.079,574 0.034,575 0.038,576 0.032,577 0.012,578 0.008,579 0.012,580 0.013,581 0.402,582 0.17,583 1,584 0.704,585 132.502,586 0.018,587 -0.04,588 0.116,589 0.009,590 -0.084,591 0.039,592 -0.009,593 -0.086,594 -0.1,595 -0.115,596 0.026,597 -0.044,598 -0.151,599 -0.103,600 -0.141,601 -0.081,602 -0.09,603 -0.096,604 -0.175,605 -0.093,606 -0.202,607 -0.121,608 -0.112,609 -0.148,610 -0.066,611 0.122,612 0.04,613 0.143,614 -0.04,615 0.12,616 0.137,617 0.077,618 0.099,619 0.015,620 0.074,621 0.039,622 0.218,623 -0.104,624 -0.058,625 -0.179,626 0.091,627 -0.209,628 -0.055,629 -0.064,630 -0.005,631 -0.034,632 -0.053,633 -0.071,634 2.25,635 5.338,636 0.852,637 25.295,638 1.009,639 1.113,640 3.69,641 13.619,642 0.73,643 3.434,644 3.761,645 4.043,646 4.304,647 4.575,648 4.718,649 4.875,650 4.99,651 5.165,652 5.231,653 6.08,654 0.699,655 377.47,656 3.434,657 4.977,658 5.832,659 6.711,660 7.588,661 8.477,662 9.365,663 10.26,664 11.154,665 12.053,666 7,674 1,676 2,681 12,682 2,683 1,686 8,688 23,704 1,705 43,706 24,707 2,708 30,710 46,711 21,712 20,713 4,714 8,717 4,718 4,729 20,730 1,733 1,737 1,741 1,744 1,745 1,747 16,748 4,749 1,750 6,751 1,753 1,755 3,760 1,761 1,773 1,778 1,779 3,803 4,805 1,807 1,809 1,811 27,813 1,832 1,833 2.3,836 1,841 13.5,842 8.126,843 5.889,844 2.38,847 3.419,848 1.461,849 1.04,850 4.763,851 10.831,852 3.773,853 4.404,854 5.025,855 5.633,856 6.205,857 6.579,858 7.074,859 7.513,860 8.009,861 8.403,862 0.857,863 42,864 9.975,865 4.309,866 7.872,867 18.812,868 15.524,869 2.372,870 64.056,873 1,874 176.567,875 167.25,876 50.357,878 22.156,879 14.96,880 19.133,881 148.118,882 198.723,883 65.317,884 7.19,886 113.895,887 81.598,888 57.866,889 17.717,890 153.024,892 176.567,893 198.474,894 37.117,895 19.133,897 191.527,898 22.156,900 39.965,901 124.938,902 33.571,903 19.133,904 191.527,905 72.513,906 167.25,909 195.699,910 28.07,911 120.048,912 16.786,913 70.688,914 176.567,915 87.473,916 167.25,918 0.583,919 0.337,920 0.176,921 0.102,922 21,923 9,924 0.087,925 4,927 1,928 3.869,929 237.009,931 23,932 116.382,934 1,936 17.477,937 7.358,938 3.635,940 70.688,941 20.936,942 8.82,943 3.368,946 5.372,948 16.786,949 431.29,950 42.5,954 11.6,958 -1.028,960 43.407,961 47.87,962 0.31,963 0.615,964 0.76,965 0.86,966 0.877,967 0.877,968 4.989,969 1.23,970 5.814,971 3.75,972 4.443,973 5.091,974 2.913,975 6.624,976 4.347,977 6.21,978 1,979 7.372,980 3.032,981 4.007,982 4.796,984 7.529,985 3.829,986 7.516,987 1,988 9.031,989 2.575,990 6.033,991 7.299,992 5.027,993 10.63,994 5.859,995 8.859,996 1,997 10.75,998 2.275,999 6.431,1000 7.837,1002 12.386,1003 6.185,1004 10.233,1005 0.945,1006 12.509,1007 2.275,1008 7.917,1009 9.773,1010 7.185,1011 15.002,1012 7.672,1013 11.63,1014 0.792,1015 14.294,1016 2.192,1017 8.694,1018 10.716,1020 17.109,1021 8.392,1022 13.044,1023 -0.188,1024 16.099,1025 2.136,1026 9.961,1027 12.395,1028 9.348,1029 19.567,1030 9.652,1031 3.204,1032 -0.453,1033 17.918,1034 -0.422,1035 10.922,1036 13.557,1038 21.832,1039 10.569,1040 2.819,1041 11.08,1042 19.749,1043 -1.096,1044 12.102,1045 15.108,1046 11.511,1047 24.24,1048 11.733,1049 2.592,1050 8.88,1051 21.589,1052 4.301,1053 13.154,1054 16.393,1056 26.576,1057 12.749,1058 2.553,1059 8.043,1060 23.437,1061 3.802,1062 14.303,1063 17.883,1064 13.675,1065 28.972,1066 13.876,1067 2.229,1068 7.837,1069 25.291,1070 3.578,1071 15.401,1072 19.238,1074 31.342,1075 14.942,1076 1.805,1077 6.071,1078 27.151,1079 3.377,1080 16.542,1081 20.7,1082 15.838,1083 33.738,1084 16.059,1085 1.527,1086 4.948,1087 29.017,1088 3.038,1089 17.665,1090 22.095,1092 36.124,1093 17.151,1094 8183,1095 14750,1096 20.285,1097 31.387,1098 46.121,1099 48.057,1100 46.538,1101 45.542,1102 45.393,1103 63.291,1104 5.9,1105 130.187,1106 43.112,1107 5.267,1108 6.698,1109 6.549,1110 5.207,1111 5.204,1112 7.301,1113 5.9,1114 18.235,1115 5.103,1116 12.043,1117 1.537,1118 1.602,1119 1.551,1120 1.518,1121 1.513,1122 2.11,1123 0.197,1124 4.34,1125 1.437,1126 4.093,1127 4.128,1128 4.34,1129 4.01,1130 8.201,1131 4.007,1132 3.902,1133 3.916,1134 4.036,1135 3.882,1136 7.398,1137 3.847,1138 3.833,1139 3.867,1140 3.785,1141 3.747,1142 5.032,1143 3.748,1144 3.636,1145 3.679,1146 3.708,1147 3.526,1148 4.839,1149 3.494,1150 3.381,1151 3.405,1152 3.463,1153 3.301,1154 4.641,1155 3.239,1156 2.895,1157 2.942,1158 2.853,1159 2.748,1160 4.503,1161 2.755,1162 2.854,1163 2.925,1164 2.687,1165 2.735,1166 3.792,1167 2.715,1168 2.854,1169 2.925,1170 2.687,1171 2.735,1172 3.716,1173 2.715,1174 0.152,1175 0.157,1176 0.225,1177 0.139,1178 0.107,1179 4.568,1180 0.143,1181 4.698,1182 0.098,1183 6.747,1184 0.369,1185 4.172,1186 0.103,1187 3.204,1188 4.301,1189 2.95,1190 11.08,1191 3.103,1192 1.93,1193 1.915,1194 2.012,1195 2.02,1196 1.154,1197 2.022,1198 1.925,1199 1.902,1200 1.992,1201 1.994,1202 1.117,1203 2.009,1204 1.814,1205 1.782,1206 1.921,1207 1.923,1208 0.975,1209 1.928,1210 1.429,1211 1.415,1212 1.552,1213 1.597,1214 0.766,1215 1.633,1216 1.267,1217 1.221,1218 1.409,1219 1.469,1220 0.462,1221 1.481,1222 1.149,1223 1.086,1224 1.259,1225 1.358,1226 0.336,1227 1.335,1228 0.886,1229 0.821,1230 1.181,1231 1.062,1232 0.218,1233 1.107,1234 0.886,1235 0.821,1236 1.181,1237 1.062,1238 0.218,1239 1.107,1240 4.111,1242 5.434,1243 2.398,1244 6.952,1245 4.727,1246 8.551,1247 6.862,1248 10.193,1250 1.649,1252 13.338,1267 30.037,1268 72.336,1269 143.581,1270 177.355,1271 200.574,1272 204.574,1273 204.574,1274 45.154,1275 7.412,1276 58.64,1277 77.85,1278 23,1279 12.577,1280 4.644,1281 3.755,1282 39.954,1283 97,1284 102,1285 0.203,1286 187.143,1287 316.15,1288 448.389,1289 14504,1290 2.3,1291 18.803,1292 0.696,1293 0.568,1294 18.221,1295 15.334,1296 13.114,1297 0.437,1298 0.329,1299 8.367,1300 12.075,1301 8.007,1302 6.652,1303 13.464,1304 9.876,1305 11.896,1306 0.283,1307 0.176,1308 12.132,1309 7.41,1310 10.047,1311 0.179,1312 0.093,1313 10.274,1314 5.186,1315 8.173,1316 0.112,1317 0.046,1318 8.451,1319 3.378,1320 6.78,1321 0.071,1322 0.024,1323 6.866,1324 2.284,1325 0.312,1326 88.885,1327 0.222,1328 25.663,1329 0.579,1330 144,1331 466.33,1332 180.557,1333 455.817,1334 618.46,1335 424,1336 170,1337 436.236,1338 204.305,1339 462.651,1340 666.94,1341 434,1342 5}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,118 50,120 1,138 10,139 3,140 2,141 2,142 1,143 1,159 1,163 11,167 5,170 1,172 3,173 14,177 7,180 1,182 4,184 10,188 10,193 2,195 8,200 8,205 3,208 13,212 1,213 3,218 1,221 13,224 1,225 3,230 2,233 11,237 3,245 8,249 1,252 1,257 8,260 911,261 17.361,262 17.361,263 17.361,264 17.361,265 17.361,266 14.555,267 18.364,268 10.512,269 17.698,270 13.875,271 13.875,272 13.875,273 13.875,274 13.875,275 9.836,276 28.435,277 5.06,278 14.462,279 3.826,280 2.106,281 1.23,282 0.6,283 0.5,284 0.45,285 3.972,286 1,288 1,289 1,290 572,291 2.345,294 266.179,298 101.355,301 1.856,302 13.492,304 1,305 0.75,306 1,307 1,308 0.6,310 1,311 1,312 0.76,313 52.333,314 260,315 4.596,316 3.258,317 6.707,318 4.135,319 3.153,320 4.543,321 0.68,322 10.902,323 3.096,324 4.03,325 2.961,326 5.8,327 3.622,328 2.659,329 3.625,330 0.4,331 8.069,332 2.567,333 3.92,334 2.823,335 5.423,336 3.508,337 2.531,338 3.467,340 7.166,341 2.46,342 3.64,343 2.533,344 5.255,345 3.188,346 2.251,347 3.075,349 6.536,350 2.109,351 3.404,352 2.184,353 4.905,354 2.943,355 2.007,356 2.76,358 5.669,359 1.851,360 3.274,361 1.907,362 4.658,363 2.783,364 1.831,365 2.591,367 4.855,368 1.673,369 2.887,370 1.516,371 3.792,372 2.382,373 1.44,374 2.053,376 3.102,377 1.355,378 2.777,379 1.288,380 3.598,381 2.267,382 1.281,383 1.913,385 2.852,386 1.26,387 2.5,388 1.076,389 3.562,390 2,391 1.013,392 1.5,394 2.575,395 1,396 2.5,397 1,398 3.414,399 1.994,400 1,401 1.5,403 2.275,404 0.99,405 2.465,406 1,407 3.247,408 1.984,409 1,410 1.449,411 2.136,412 0.983,413 1.729,414 0.741,415 3.101,416 1.405,417 0.449,418 0.552,419 1.119,420 0.42,421 1.313,422 0.426,423 2.764,424 0.935,425 0.02,426 0.025,427 0.048,428 0.016,429 1.014,430 -0.044,431 2.445,432 0.595,433 -0.34,434 -0.435,435 -0.814,436 -0.291,437 0.889,438 -0.429,439 2.304,440 0.391,441 -0.583,442 -0.833,443 -1.455,444 -0.561,445 12.314,446 0.493,447 0.465,448 0.019,449 38.25,450 1.53,451 22.5,452 0.9,453 15.75,454 0.63,455 15.877,456 0.635,457 24.286,458 0.607,459 25.535,460 1.021,461 7.668,462 0.307,463 4.625,464 0.185,465 0.058,467 0.284,471 0.647,472 1,473 0.571,474 0.8,475 0.649,476 0.771,477 0.742,478 1.154,479 0.711,480 0.975,481 0.732,482 0.954,483 1.087,484 1.111,485 1.012,486 1.045,487 1.037,488 1.035,489 1.127,490 1.198,491 0.96,492 1.059,493 1.031,494 1.042,495 1.034,496 1.003,497 0.653,498 0.784,499 0.874,500 0.81,501 1.183,502 0.863,503 0.903,504 0.846,505 1.108,506 0.925,507 0.58,508 0.996,509 0.789,510 1.07,511 0.729,512 1.098,513 0.655,514 1.086,515 0.906,516 1.158,517 0.779,518 1.175,519 4,520 0.029,521 2.222,522 1.188,523 1.24,524 0.542,525 0.405,526 0.302,527 0.2,528 0.117,529 7458,530 21561,531 2.179,532 37.5,534 10,536 2,537 1,538 2,542 1.681,543 2.113,544 3.346,545 -0.356,550 59.835,551 1.496,552 3.216,553 4.091,554 4.722,555 4.822,556 4.872,557 2.953,558 4.324,559 4.61,560 3.486,561 1045.76,562 7.983,563 12517.9,565 1,568 212.877,569 1.078,570 4.606,571 0.143,572 0.002,573 0.058,574 0.031,575 0.038,576 0.016,577 0.012,578 0.01,579 0.01,580 0.008,581 0.329,582 0.33,583 1,584 0.372,585 120.213,586 0.065,587 0.037,588 0.023,589 0.023,590 0.004,591 0.028,592 0.025,593 -0.141,594 -0.022,595 -0.113,596 -0.008,597 -0.107,598 -0.096,599 -0.099,600 -0.117,601 -0.119,602 -0.114,603 -0.118,604 -0.129,605 -0.181,606 -0.088,607 -0.115,608 -0.092,609 -0.086,610 -0.048,611 0.071,612 0.077,613 0.126,614 0.049,615 0.126,616 -0.21,617 0.2,618 -0.136,619 0.051,620 -0.184,621 -0.025,622 0.141,623 -0.049,624 0.001,625 -0.109,626 0.062,627 -0.117,628 0.138,629 -0.184,630 0.054,631 -0.132,632 0.083,633 -0.126,634 0.964,635 1.836,636 0.88,637 23.142,638 1.001,639 1.111,640 4.196,641 17.604,642 0.736,643 3.367,644 3.664,645 3.932,646 4.205,647 4.489,648 4.489,649 4.654,650 4.812,651 4.927,652 4.934,653 6.034,654 0.702,655 346.84,656 3.367,657 4.89,658 5.733,659 6.6,660 7.462,661 8.336,662 9.208,663 10.087,664 10.964,665 11.846,666 10,674 1,676 3,680 2,681 12,682 3,686 5,688 23,699 1,704 1,705 40,706 23,707 2,708 28,710 43,711 20,712 19,713 4,714 8,717 4,718 5,719 1,727 1,729 19,730 1,747 15,748 4,749 1,750 5,751 1,755 4,760 0.75,772 1,773 1,779 4,783 1,803 3,808 1,811 25,817 1,818 1,832 1,841 11.833,842 7.243,843 5.5,844 2.316,847 3.948,848 1.535,849 1.037,850 4.384,851 11.331,852 3.701,853 4.337,854 4.951,855 5.564,856 6.178,857 6.381,858 6.84,859 7.327,860 7.786,861 8.027,862 1,863 38,864 9.15,865 3.847,866 7.611,867 17.582,868 14.353,869 2.111,870 52.778,873 1,874 164.795,875 135.065,876 68.122,877 39.149,881 135.065,882 203.944,883 68.122,885 2.535,886 94.762,887 73.654,888 53.451,889 2.328,890 141.253,891 39.149,892 164.795,893 203.188,895 39.149,897 164.795,900 41.397,901 111.679,902 89.26,904 164.795,905 68.122,906 174.214,909 164.795,910 22.208,911 112.857,912 18.011,913 89.26,914 164.795,915 68.122,916 174.214,918 0.572,919 0.329,920 0.183,921 0.108,922 19,923 7,924 0.093,925 4,926 1,927 1.091,928 3.806,929 209.623,930 0.091,931 22,932 108.096,936 15.707,937 6.978,938 3.506,939 2.127,940 68.122,941 23.267,942 12.929,946 4.465,948 18.011,949 407.132,950 39.5,960 40.033,961 44.428,962 0.281,963 0.604,964 0.769,965 0.887,966 0.906,967 0.915,968 4.896,969 1.281,970 5.687,971 3.102,972 4.344,973 5.024,974 0.809,975 6.46,976 4.269,977 6.102,978 1.013,979 7.212,980 2.852,981 3.761,982 4.691,984 7.273,985 3.613,986 7.397,987 1,988 8.838,989 2.575,990 5.889,991 7.267,992 0.391,993 10.395,994 5.76,995 8.73,996 1,997 10.528,998 2.275,999 6.155,1000 7.805,1002 12.104,1003 5.979,1004 10.095,1005 0.449,1006 12.262,1007 2.136,1008 7.713,1009 9.802,1010 0.187,1011 14.736,1012 7.545,1013 11.486,1014 0.02,1015 14.028,1016 1.119,1017 8.404,1018 10.798,1020 16.832,1021 8.209,1022 12.897,1023 -0.34,1024 15.817,1025 0.048,1026 9.711,1027 12.527,1028 0.089,1029 19.301,1030 9.512,1031 3.153,1032 -0.583,1033 17.626,1034 -0.814,1035 10.624,1036 13.773,1038 21.565,1039 10.407,1040 2.659,1041 10.902,1042 19.45,1043 -1.455,1044 11.821,1045 15.376,1046 0.042,1047 23.98,1048 11.595,1049 2.531,1050 8.069,1051 21.287,1052 4.543,1053 12.848,1054 16.755,1056 26.315,1057 12.606,1058 2.251,1059 7.166,1060 23.134,1061 3.625,1062 14.002,1063 18.301,1064 0.019,1065 28.712,1066 13.748,1067 2.007,1068 6.536,1069 24.99,1070 3.467,1071 15.085,1072 19.747,1074 31.076,1075 14.816,1076 1.831,1077 5.669,1078 26.854,1079 3.075,1080 16.224,1081 21.27,1082 0.009,1083 33.468,1084 15.942,1085 1.44,1086 4.855,1087 28.724,1088 2.76,1089 17.336,1090 22.75,1092 35.845,1093 17.039,1094 7000,1095 12027,1096 19.474,1097 29.449,1098 41.584,1099 41.973,1100 41.88,1101 41.449,1102 41.266,1103 58.109,1104 2.16,1105 114.607,1106 39.561,1107 5.378,1108 5.258,1109 6.509,1110 5.178,1111 5.153,1112 7.543,1113 1.36,1114 18.155,1115 5.096,1116 6.696,1117 1.485,1118 1.499,1119 1.496,1120 1.48,1121 1.474,1122 2.075,1123 0.077,1124 4.093,1125 1.413,1126 4.095,1127 4.126,1128 4.071,1129 4.02,1130 5.089,1131 4.025,1132 3.883,1133 3.913,1134 3.966,1135 3.826,1136 4.932,1137 3.818,1138 3.846,1139 3.882,1140 3.787,1141 3.757,1142 4.886,1143 3.758,1144 3.406,1145 3.47,1146 3.412,1147 3.24,1148 4.544,1149 3.253,1150 3.224,1151 3.285,1152 3.292,1153 3.077,1154 4.375,1155 3.085,1156 2.89,1157 2.946,1158 3.047,1159 2.785,1160 3.996,1161 2.771,1162 2.854,1163 2.925,1164 2.709,1165 2.735,1166 3.775,1167 2.715,1168 2.854,1169 2.925,1170 2.687,1171 2.735,1172 3.674,1173 2.715,1174 0.164,1175 0.116,1176 0.24,1177 0.148,1178 0.113,1179 4.596,1180 0.162,1181 3.258,1182 0.024,1183 6.707,1184 0.389,1185 4.135,1186 0.111,1187 3.153,1188 4.543,1189 0.68,1190 10.902,1191 3.096,1192 2.047,1193 2.023,1194 2.119,1195 2.141,1196 1.278,1197 2.135,1198 1.872,1199 1.847,1200 1.969,1201 1.966,1202 1.07,1203 1.974,1204 1.827,1205 1.793,1206 1.943,1207 1.929,1208 1.033,1209 1.939,1210 1.354,1211 1.298,1212 1.52,1213 1.553,1214 0.604,1215 1.544,1216 1.18,1217 1.127,1218 1.344,1219 1.376,1220 0.418,1221 1.378,1222 0.886,1223 0.821,1224 1.181,1225 1.062,1226 0.218,1227 1.107,1228 0.886,1229 0.821,1230 1.181,1231 1.062,1232 0.218,1233 1.107,1234 0.845,1235 0.803,1236 1.122,1237 1.044,1238 0.202,1239 1.066,1240 4.043,1242 5.342,1244 6.851,1246 8.455,1248 10.108,1251 5.947,1256 0.72,1257 3.323,1267 28.074,1268 59.835,1269 128.638,1270 163.658,1271 188.877,1272 192.877,1273 194.877,1274 28.938,1275 7.383,1276 50.7,1277 50.7,1278 24,1279 12.382,1280 4.585,1281 3.644,1282 35.852,1283 89,1284 97,1285 0.197,1286 176.352,1287 291.69,1288 422.06,1289 15672,1290 2.5,1291 17.062,1292 0.682,1293 0.564,1294 17.562,1295 14.111,1296 12.293,1297 0.439,1298 0.298,1299 7.92,1300 11.714,1301 7.714,1302 6.399,1303 12.582,1304 8.33,1305 10.811,1306 0.285,1307 0.162,1308 11.219,1309 6.141,1310 9.126,1311 0.183,1312 0.085,1313 9.415,1314 4.244,1315 7.644,1316 0.116,1317 0.044,1318 7.811,1319 2.872,1320 6.731,1321 0.076,1322 0.023,1323 6.967,1324 2.061,1325 0.306,1326 78.749,1327 0.227,1328 24.261,1329 0.551,1330 132,1331 355.472,1332 154.458,1333 388.218,1334 533.19,1335 364,1336 154,1337 381.691,1338 171.363,1339 400.645,1340 578.74,1341 378,1342 5}
{0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,118 40.8,119 4,122 1,124 6,138 11,139 3,140 3,142 1,149 1,152 1,159 1,163 15,167 7,170 3,171 1,172 3,173 18,176 2,177 11,180 1,182 3,184 14,187 1,188 11,191 1,193 8,195 6,199 1,200 8,203 2,205 9,208 6,212 1,213 11,218 6,221 11,224 1,225 13,228 1,230 7,233 11,237 9,240 1,242 1,245 12,248 1,249 8,254 1,257 23,260 3163,261 26.126,262 26.126,263 26.126,264 26.126,265 26.126,266 23.423,267 36.989,268 15.44,269 26.724,270 21.281,271 21.281,272 21.281,273 21.281,274 21.281,275 17.125,276 47.755,277 7.396,278 22.217,279 4.772,280 2.742,281 1.666,282 1.109,283 0.948,284 0.922,285 4.396,289 1,290 1298,291 4.359,293 114.727,294 481.223,298 186.324,301 2.479,302 29.015,305 0.75,306 0.83,307 0.83,308 0.9,309 0.5,310 0.83,311 1,312 0.81,313 83.5,314 598,315 4.594,316 3.613,317 7.139,318 4.35,319 3.366,320 4.54,321 1.656,322 11.836,323 3.316,324 4.578,325 3.536,326 6.702,327 4.127,328 3.145,329 4.211,330 0.86,331 10.879,332 3.09,333 4.199,334 3.227,335 6.493,336 3.921,337 2.963,338 3.597,339 0.86,340 10.131,341 2.833,342 3.865,343 3.067,344 5.74,345 3.496,346 2.54,347 3.226,348 0.8,349 7.766,350 2.449,351 3.751,352 2.893,353 5.388,354 3.436,355 2.505,356 3.142,357 0.247,358 6.968,359 2.325,360 3.541,361 2.607,362 5.339,363 3.358,364 2.387,365 2.819,367 6.89,368 2.29,369 3.493,370 2.558,371 5.051,372 3.117,373 2.149,374 2.652,376 6.04,377 2.068,378 3.333,379 2.177,380 4.897,381 2.913,382 1.937,383 2.516,385 5.529,386 1.887,387 3.228,388 2.106,389 4.668,390 2.794,391 1.8,392 2.453,394 4.897,395 1.783,396 2.784,397 2.025,398 4.433,399 2.444,400 1.557,401 1.922,403 3.995,404 1.373,405 2.669,406 1.571,407 3.952,408 2.293,409 1.327,410 1.71,411 3.269,412 1.286,413 2.6,414 1.484,415 3.81,416 2.267,417 1.289,418 1.609,419 2.868,420 1.251,421 2.5,422 1.287,423 3.647,424 2.093,425 1.173,426 1.5,427 2.824,428 1.07,429 2.471,430 1.256,431 3.596,432 2,433 1,434 1.461,435 2.727,436 1,437 2.387,438 1.078,439 3.414,440 1.952,441 1,442 1.337,443 2.275,444 0.946,445 18.5,446 0.474,447 1.069,448 0.027,449 48.25,450 1.237,451 23,452 0.59,453 25.25,454 0.647,455 39.35,456 1.009,457 42.7,458 0.562,459 40.967,460 1.05,461 9.39,462 0.241,463 9.385,464 0.241,465 0.126,466 0.027,467 0.286,471 0.823,472 1.355,473 0.848,474 1.168,475 0.701,476 1.032,477 1.066,478 1.074,479 0.877,480 0.93,481 0.65,482 0.888,483 1.194,484 1.173,485 1.133,486 1.094,487 0.997,488 1.101,489 0.848,490 1.07,491 0.894,492 0.991,493 0.789,494 0.946,495 1.337,496 0.979,497 0.964,498 0.871,499 1.263,500 0.863,501 1.433,502 1.037,503 1.075,504 0.924,505 1.478,506 0.939,507 0.944,508 1.197,509 1.016,510 1.117,511 1.482,512 1.078,513 1.284,514 0.945,515 1.167,516 0.976,517 2.046,518 1.041,519 8.5,520 0.325,521 4.444,522 2.438,523 2.225,524 1.507,525 1.122,526 0.646,527 0.637,528 0.365,529 26024,530 58050,531 2.088,532 48.7,533 12,534 23,537 2,542 1.794,543 1.958,544 3.818,545 0.111,550 112.148,551 1.476,552 3.506,553 4.582,554 5.139,555 5.3,556 5.326,557 3.329,558 4.785,559 5.253,560 4.051,561 3002.02,562 9.269,563 52076,568 474.842,569 1.496,570 5.213,571 0.198,572 0.007,573 0.073,574 0.04,575 0.038,576 0.026,577 0.02,578 0.011,579 0.012,580 0.007,581 0.431,582 0.17,583 0.75,584 0.651,585 220.011,586 0.029,587 -0.126,588 0.071,589 -0.067,590 -0.056,591 -0.005,592 0.06,593 0.049,594 0.102,595 0.09,596 0.119,597 0.094,598 -0.074,599 -0.076,600 -0.149,601 -0.098,602 -0.071,603 -0.131,604 0.045,605 -0.067,606 0.091,607 -0.024,608 0.071,609 0.032,610 -0.034,611 0.03,612 0.066,613 0.065,614 0.065,615 0.078,616 -0.118,617 0.032,618 -0.06,619 0.044,620 -0.046,621 0.01,622 0.049,623 -0.131,624 -0.043,625 -0.107,626 0.091,627 -0.089,628 -0.195,629 0.079,630 -0.175,631 0.005,632 -0.305,633 -0.068,634 2.005,635 6.244,636 0.692,637 51.546,638 0.995,639 1.128,640 3.837,641 14.725,642 0.652,643 3.784,644 4.127,645 4.369,646 4.635,647 4.89,648 4.977,649 5.075,650 5.165,651 5.313,652 5.366,653 8.816,654 0.614,655 527.73,656 3.784,657 5.342,658 6.188,659 7.074,660 7.942,661 8.832,662 9.711,663 10.604,664 11.488,665 12.383,666 6.6,669 1,673 2,674 1,676 1,680 2,681 11,682 1,686 6,687 1,688 22,703 1,705 76,706 23,707 3,708 43,710 80,711 31,712 19,713 6,714 10,717 5,718 6,720 1,721 4,722 1,729 20,730 11,733 1,737 1,740 1,747 37,748 7,749 2,750 8,755 5,760 0.8,761 3,771 1,778 1,779 4,783 1,800 1,802 1,803 4,807 4,811 39,817 6,818 2,819 2,822 1,823 1,833 3.9,836 1,837 1,838 1,841 19.917,842 14.767,843 8.389,844 4.573,847 4.045,848 1.479,849 0.975,850 8.336,851 12.497,852 4.025,853 4.627,854 5.201,855 5.808,856 6.349,857 6.657,858 7.013,859 7.346,860 7.713,861 7.802,862 1,863 61,864 14.458,865 6.092,866 7.583,867 28.075,868 23.074,869 2.083,870 81.25,874 411.989,875 188.083,876 57.585,878 47.145,881 188.083,882 459.133,883 57.585,884 35.301,885 56.116,886 104.239,887 52.808,888 40.074,889 4.276,890 411.989,892 411.989,893 245.668,894 47.145,897 411.989,898 36.145,899 11,900 101.402,901 127.603,902 16.663,904 411.989,905 104.73,906 188.083,909 411.989,910 48.543,911 144.44,912 36.022,913 63.808,914 411.989,915 104.73,916 188.083,918 0.586,919 0.329,920 0.176,921 0.103,922 29,923 13,924 0.1,925 8,926 1,927 1.074,928 4.894,929 385.073,930 0.074,931 27,932 193.376,936 27.35,937 11.887,938 6.683,939 1.871,940 102.954,941 21.784,942 4.812,946 5.055,947 1.781,948 36.022,949 704.801,950 55,954 13.244,957 -0.338,960 75.629,961 85.763,962 0.236,963 0.561,964 0.733,965 0.822,966 0.848,967 0.853,968 5.281,969 1.937,970 6.196,971 6.04,972 4.812,973 5.316,974 2.274,975 7.029,976 4.737,977 6.494,978 1.8,979 7.772,980 5.529,981 4.511,982 5.182,983 1.305,984 8.116,985 4.43,986 7.813,987 1.557,988 9.458,989 4.897,990 6.46,991 7.526,992 2.627,993 11.162,994 6.326,995 9.168,996 1.327,997 11.212,998 3.995,999 6.976,1000 8.228,1001 2.354,1002 13.082,1003 6.845,1004 10.558,1005 1.289,1006 13.012,1007 3.269,1008 8.428,1009 10.072,1010 3.315,1011 15.702,1012 8.256,1013 11.972,1014 1.173,1015 14.844,1016 2.868,1017 9.309,1018 11.176,1019 3.414,1020 17.936,1021 9.137,1022 13.406,1023 1,1024 16.699,1025 2.824,1026 10.577,1027 12.813,1028 4.177,1029 20.428,1030 10.378,1031 3.366,1032 1,1033 18.572,1034 2.727,1035 11.623,1036 14.116,1037 4.466,1038 22.783,1039 11.419,1040 3.145,1041 11.836,1042 20.459,1043 2.275,1044 12.826,1045 15.665,1046 5.117,1047 25.235,1048 12.603,1049 2.963,1050 10.879,1051 22.356,1052 4.54,1053 13.946,1054 17.066,1055 5.504,1056 27.64,1057 13.716,1058 2.54,1059 10.131,1060 24.263,1061 4.211,1062 15.13,1063 18.579,1064 6.093,1065 30.083,1066 14.884,1067 2.505,1068 7.766,1069 26.176,1070 3.597,1071 16.285,1072 20.028,1073 6.531,1074 32.509,1075 16.029,1076 2.387,1077 6.968,1078 28.094,1079 3.226,1080 17.466,1081 21.529,1082 7.084,1083 34.951,1084 17.197,1085 2.149,1086 6.89,1087 30.018,1088 3.142,1089 18.638,1090 23.001,1091 7.551,1092 37.389,1093 18.358,1094 24443,1095 36729,1096 28.72,1097 49.574,1098 65.312,1099 66.112,1100 65.558,1101 64.61,1102 64.651,1103 82.321,1104 8.846,1105 187.972,1106 62.139,1107 5.594,1108 5.613,1109 6.941,1110 5.453,1111 5.366,1112 7.54,1113 2.912,1114 19.07,1115 5.316,1116 19.333,1117 1.519,1118 1.537,1119 1.525,1120 1.503,1121 1.504,1122 1.914,1123 0.206,1124 4.371,1125 1.445,1126 4.112,1127 4.142,1128 4.073,1129 4.047,1130 7.431,1131 4.048,1132 4.037,1133 4.073,1134 4,1135 3.922,1136 4.985,1137 3.933,1138 3.82,1139 3.869,1140 3.743,1141 3.737,1142 4.932,1143 3.734,1144 3.807,1145 3.859,1146 3.685,1147 3.586,1148 4.647,1149 3.601,1150 3.593,1151 3.656,1152 3.496,1153 3.417,1154 4.629,1155 3.424,1156 3.5,1157 3.546,1158 3.392,1159 3.374,1160 4.501,1161 3.374,1162 3.427,1163 3.478,1164 3.321,1165 3.194,1166 4.288,1167 3.213,1168 3.289,1169 3.343,1170 3.166,1171 3.059,1172 4.219,1173 3.081,1174 0.107,1175 0.084,1176 0.166,1177 0.101,1178 0.078,1179 4.594,1180 0.106,1181 3.613,1182 0.039,1183 7.139,1184 0.275,1185 4.35,1186 0.077,1187 3.366,1188 4.54,1189 1.656,1190 11.836,1191 3.316,1192 2.066,1193 2.051,1194 2.137,1195 2.136,1196 1.294,1197 2.136,1198 1.925,1199 1.894,1200 2.04,1201 2.032,1202 1.249,1203 2.033,1204 1.784,1205 1.737,1206 1.992,1207 1.982,1208 1.211,1209 1.977,1210 1.735,1211 1.673,1212 1.955,1213 1.919,1214 1.145,1215 1.946,1216 1.523,1217 1.477,1218 1.687,1219 1.765,1220 0.925,1221 1.73,1222 1.46,1223 1.413,1224 1.645,1225 1.656,1226 0.825,1227 1.662,1228 1.353,1229 1.295,1230 1.598,1231 1.576,1232 0.72,1233 1.584,1234 1.222,1235 1.154,1236 1.513,1237 1.464,1238 0.689,1239 1.472,1240 4.466,1242 5.802,1243 2.398,1244 7.323,1245 4.727,1246 8.929,1247 6.862,1248 10.581,1250 8.366,1256 4.856,1257 6.053,1258 11.589,1261 2.346,1262 -0.17,1267 46.68,1268 112.148,1269 266.431,1270 348.22,1271 390.539,1272 402.803,1273 404.803,1274 68.386,1275 8.452,1276 80.65,1277 80.65,1278 29,1279 12.911,1280 4.585,1281 3.7,1282 61.501,1283 207,1284 229,1285 0.142,1286 284.925,1287 491.79,1288 686.977,1289 65902,1291 27.407,1292 0.703,1293 0.594,1294 27.407,1295 23.16,1296 18.775,1297 0.437,1298 0.314,1299 13.293,1300 18.05,1301 12.824,1302 10.687,1303 18.775,1304 13.481,1305 17.699,1306 0.29,1307 0.18,1308 17.699,1309 10.951,1310 13.957,1311 0.179,1312 0.088,1313 13.957,1314 6.899,1315 11.568,1316 0.113,1317 0.045,1318 11.568,1319 4.605,1320 9.739,1321 0.074,1322 0.024,1323 9.739,1324 3.204,1325 0.228,1326 117.51,1327 0.187,1328 35.501,1329 0.379,1330 208,1331 552.808,1332 227.848,1333 532.378,1334 740.08,1335 502,1336 243,1337 556.217,1338 263.768,1339 563.342,1340 824.66,1341 529,1342 5.181}
{0 CHEMBL105442,1 1.983,2 9.88,3 4.908,4 24.087,5 99.228,6 12.274,7 0.444,8 3.792,9 3.884,10 3.775,11 3.435,12 5.022,13 3.394,14 4.273,15 4.4,16 4.197,17 3.786,18 5.534,19 3.708,20 4.519,21 4.69,22 4.354,23 3.863,24 6.008,25 3.773,26 4.473,27 4.655,28 4.497,29 3.765,30 5.852,31 3.678,32 4.37,33 4.525,34 4.097,35 3.624,36 5.907,37 3.633,38 4.392,39 4.524,40 4.225,41 3.733,42 6.046,43 3.707,44 4.409,45 4.554,46 4.266,47 3.714,48 5.974,49 3.646,50 4.31,51 4.504,52 4.362,53 3.646,54 5.56,55 3.482,56 0.19,57 0.668,58 0.871,59 3.405,60 18.075,61 3.508,62 0.379,63 1.031,64 4.693,65 6.413,66 38.569,67 6.332,68 0.857,69 1.404,70 33.685,71 9.985,72 101.366,73 8.732,74 0.789,75 1.191,76 46.152,77 9.47,78 78.619,79 7.529,80 0.793,81 1.123,82 12.827,83 6.22,84 106.151,85 5.258,86 0.863,87 1.152,88 19.438,89 7.893,90 106.636,91 6.804,92 0.91,93 1.123,94 11.633,95 7.74,96 109.321,97 6.234,98 0.65,99 1.068,100 22.075,101 9.053,102 79.569,103 7.243,104 26,105 38,106 0.355,107 0.704,108 0.829,109 0.891,110 0.891,111 0.891,112 3.267,113 1.004,114 -5.59,115 -5.46,116 -5.09,118 43.6,120 2,121 1,124 1,138 5,139 1,140 6,151 1,161 1,163 6,167 2,170 1,172 3,173 5,176 1,177 4,182 6,184 3,188 2,191 1,192 1,193 4,195 3,200 2,203 1,205 1,208 5,213 3,218 1,221 7,225 4,230 4,233 7,237 3,242 2,245 3,249 1,254 1,257 2,260 1031,261 16.499,262 16.499,263 16.499,264 16.499,265 16.499,266 14.722,267 16.843,268 9.551,269 17.054,270 13.256,271 13.256,272 13.256,273 13.256,274 13.256,275 10.619,276 19.271,277 4.509,278 14.337,279 3.302,280 1.356,281 0.657,282 0.308,283 0.308,284 0.308,285 3.932,286 1,288 1,289 1,290 524,291 3.317,292 51.118,294 170.887,301 1.485,302 42.023,305 0.75,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.84,313 55.733,314 247,315 4.52,316 4.041,317 6.732,318 4.133,319 3.167,320 4.211,321 2.095,322 10.87,323 3.063,324 4.208,325 3.49,326 6.052,327 3.738,328 2.821,329 3.862,330 0.776,331 8.685,332 2.636,333 3.839,334 3.218,335 5.862,336 3.652,337 2.662,338 3.193,339 0.4,340 7.781,341 2.547,342 3.654,343 3.189,344 5.492,345 3.461,346 2.496,347 2.787,349 7.387,350 2.371,351 3.475,352 2.638,353 5.038,354 2.985,355 2.138,356 2.658,358 5.926,359 1.771,360 3.169,361 2.623,362 4.887,363 2.738,364 1.829,365 2.366,367 5.201,368 1.487,369 2.872,370 2.437,371 4.209,372 2.474,373 1.519,374 1.964,376 3.779,377 1.423,378 2.82,379 1.985,380 4.146,381 2.33,382 1.414,383 1.946,385 3.641,386 1.226,387 2.241,388 1.85,389 3.475,390 2.022,391 1.065,392 1.187,394 2.393,395 0.999,396 1.75,397 1.153,398 3.246,399 1.412,400 0.548,401 0.629,403 1.357,404 0.415,405 1.375,406 1.013,407 2.793,408 1.135,409 0.174,410 0.193,411 0.394,412 0.158,413 1.225,414 0.664,415 2.687,416 0.941,417 0.072,418 0.082,419 0.165,420 0.047,421 1.171,422 0.378,423 2.417,424 0.721,425 -0.199,426 -0.25,427 -0.481,428 -0.117,429 0.797,430 0.195,431 2.359,432 0.255,433 -0.514,434 -0.621,435 -1.242,436 -0.207,437 0.427,438 -0.151,439 2.114,440 0.223,441 -0.742,442 -0.817,443 -1.619,444 -0.623,445 12.895,446 0.516,447 0.72,448 0.029,449 29.75,450 1.19,451 14,452 0.56,453 15.75,454 0.63,455 22.959,456 0.918,457 26.705,458 0.685,459 21.203,460 0.848,461 5.645,462 0.226,463 6.307,464 0.252,465 0.253,467 0.349,470 2,471 0.58,472 0.846,473 0.467,474 0.56,475 0.516,476 0.716,477 0.758,478 1.038,479 0.575,480 0.692,481 0.609,482 0.911,483 0.816,484 0.989,485 0.951,486 0.953,487 0.752,488 0.933,489 1.243,490 0.96,491 0.713,492 0.725,493 1.133,494 0.79,495 1.27,496 0.935,497 0.351,498 0.491,499 1.313,500 0.702,501 1.042,502 1.118,503 0.598,504 0.728,505 1.132,506 0.838,507 1.249,508 1.123,509 0.595,510 0.71,511 1.459,512 0.976,513 1.157,514 1.085,515 1.055,516 1.051,517 1.182,518 1.055,519 5.5,520 0.09,521 3.611,522 1.91,523 1.623,524 0.976,525 0.691,526 0.441,527 0.261,528 0.148,529 6836,530 26239,531 2.015,532 35.9,533 4,534 7,537 2,539 1,542 1.685,543 1.852,544 3.247,545 0.352,549 1,550 77.341,551 1.983,552 3.93,553 4.629,554 4.978,555 4.978,556 4.978,557 2.713,558 4.484,559 4.61,560 3.422,561 1026.7,562 8.004,563 12430.5,568 206.131,569 1.516,570 4.555,571 0.204,572 0.008,573 0.103,574 0.05,575 0.048,576 0.029,577 0.019,578 0.014,579 0.011,580 0.009,581 0.495,582 0.33,583 0.75,584 0.65,585 119.967,586 0.003,587 0.042,588 -0.002,589 0.03,590 -0.014,591 0.043,592 -0.034,593 -0.177,594 0.009,595 -0.003,596 0.014,597 -0.066,598 0.148,599 -0.026,600 -0.043,601 -0.031,602 0.167,603 0.005,604 -0.151,605 0.005,606 0.059,607 0.106,608 -0.11,609 0.12,610 -0.1,611 0.097,612 0.009,613 0.06,614 -0.058,615 0.08,616 0.169,617 -0.015,618 -0.016,619 -0.013,620 0.153,621 0.01,622 -0.017,623 -0.032,624 -0.005,625 0.008,626 -0.085,627 -0.127,628 -0.131,629 -0.081,630 0.035,631 0.011,632 -0.157,633 -0.033,634 2.829,635 6.277,636 0.6,637 22.128,638 1.034,639 1.13,640 4.357,641 18.986,642 0.754,643 3.332,644 3.664,645 3.85,646 4.025,647 4.234,648 4.29,649 4.277,650 4.304,651 4.369,652 4.29,653 5.899,654 0.708,655 478.68,656 3.332,657 4.875,658 5.72,659 6.592,660 7.454,661 8.329,662 9.198,663 10.075,664 10.947,665 11.826,666 5.1,673 1,674 1,681 5,686 7,688 12,699 1,704 4,705 39,706 13,707 2,708 27,710 41,711 17,712 12,713 7,714 5,715 1,717 3,718 3,719 1,724 2,725 1,727 2,729 13,730 4,731 1,733 1,737 1,740 1,745 2,747 14,748 6,749 2,750 8,751 2,752 1,755 2,760 1,761 2,777 1,779 2,798 1,803 3,808 1,809 2,810 1,811 25,817 3,818 2,819 1,821 1,832 4,833 5.1,836 1,837 1,841 13.5,842 6.905,843 5.472,844 2.282,847 2.424,848 1.356,849 0.995,850 6.015,851 9.226,852 3.555,853 4.143,854 4.635,855 5.119,856 5.636,857 5.809,858 5.966,859 6.235,860 6.586,861 6.773,862 0.857,863 38,864 9.366,865 4.171,866 8.176,867 17.112,868 14.073,869 2.676,870 66.898,874 141.253,875 150.631,876 38.636,877 39.149,878 36.364,879 29.92,880 56.782,881 93.849,882 216.766,883 68.556,885 30.287,886 47.381,887 41.068,888 50.112,889 29.92,890 198.035,891 39.149,892 141.253,893 132.485,894 66.284,895 39.149,896 56.782,897 159.402,898 36.916,899 11.219,900 48.297,901 84.187,902 39.149,903 56.782,904 171.173,905 75,906 132.997,907 56.782,909 141.253,910 46.467,911 104.163,912 38.636,913 105.433,914 141.253,915 104.92,916 132.997,917 56.782,918 0.59,919 0.327,920 0.16,921 0.086,922 18,923 9,924 0.146,925 6,927 1,928 3.689,929 201.789,931 15,932 114.096,936 18.668,937 8.055,938 4.954,940 104.92,941 7.132,946 -1.033,948 38.636,949 435.952,950 34,954 12.261,957 -0.663,960 40.345,961 44.081,962 0.375,963 0.744,964 0.876,965 0.942,966 0.942,967 0.942,968 4.804,969 1.414,970 5.72,971 3.779,972 4.344,973 4.828,974 2.425,975 6.526,976 4.201,977 6.027,978 1.065,979 7.292,980 3.641,981 4.111,982 4.783,984 7.493,985 3.865,986 7.346,987 0.548,988 8.964,989 2.393,990 5.964,991 7.004,992 3.697,993 10.527,994 5.74,995 8.695,996 0.174,997 10.69,998 1.357,999 6.463,1000 7.7,1002 12.261,1003 6.162,1004 10.072,1005 0.072,1006 12.45,1007 0.394,1008 7.855,1009 9.477,1010 5.14,1011 14.869,1012 7.563,1013 11.468,1014 -0.199,1015 14.234,1016 0.165,1017 8.679,1018 10.52,1020 16.941,1021 8.328,1022 12.88,1023 -0.514,1024 16.036,1025 -0.481,1026 9.898,1027 12.113,1028 6.612,1029 19.4,1030 9.54,1031 3.167,1032 -0.742,1033 17.852,1034 -1.242,1035 10.876,1036 13.332,1038 21.633,1039 10.471,1040 2.821,1041 10.87,1042 19.679,1043 -1.619,1044 12.028,1045 14.839,1046 8.09,1047 24.038,1048 11.606,1049 2.662,1050 8.685,1051 21.516,1052 4.211,1053 13.08,1054 16.152,1056 26.348,1057 12.619,1058 2.496,1059 7.781,1060 23.362,1061 3.862,1062 14.21,1063 17.615,1064 9.57,1065 28.735,1066 13.726,1067 2.138,1068 7.387,1069 25.215,1070 3.193,1071 15.3,1072 18.978,1074 31.082,1075 14.782,1076 1.829,1077 5.926,1078 27.074,1079 2.787,1080 16.425,1081 20.421,1082 11.049,1083 33.464,1084 15.882,1085 1.519,1086 5.201,1087 28.938,1088 2.658,1089 17.536,1090 21.811,1092 35.83,1093 16.961,1094 6676,1095 13255,1096 17.512,1097 29.404,1098 40.142,1099 44.575,1100 41.981,1101 40.177,1102 39.811,1103 50.157,1104 6.542,1105 115.158,1106 36.289,1107 5.489,1108 6.041,1109 6.296,1110 5.183,1111 5.167,1112 7.211,1113 4.191,1114 18.175,1115 5.063,1116 13.855,1117 1.487,1118 1.651,1119 1.555,1120 1.488,1121 1.474,1122 1.858,1123 0.242,1124 4.265,1125 1.344,1126 4.002,1127 4.027,1128 10.695,1129 4.034,1130 8.239,1131 3.925,1132 3.897,1133 3.945,1134 4.017,1135 3.851,1136 8.161,1137 3.8,1138 3.841,1139 3.858,1140 3.88,1141 3.788,1142 7.429,1143 3.775,1144 3.395,1145 3.426,1146 3.768,1147 3.381,1148 4.937,1149 3.15,1150 3.093,1151 3.156,1152 3.361,1153 3.089,1154 4.681,1155 2.986,1156 2.991,1157 3.04,1158 3.249,1159 2.796,1160 4.487,1161 2.77,1162 2.879,1163 2.922,1164 2.945,1165 2.768,1166 4.32,1167 2.735,1168 2.794,1169 2.844,1170 2.872,1171 2.716,1172 4.161,1173 2.678,1174 0.167,1175 0.15,1176 0.249,1177 0.153,1178 0.117,1179 4.52,1180 0.156,1181 4.041,1182 0.078,1183 6.732,1184 0.403,1185 4.133,1186 0.113,1187 3.167,1188 4.211,1189 2.095,1190 10.87,1191 3.063,1192 1.93,1193 1.912,1194 1.975,1195 2.036,1196 1.118,1197 2.022,1198 1.823,1199 1.809,1200 1.866,1201 1.883,1202 1.031,1203 1.896,1204 1.429,1205 1.379,1206 1.676,1207 1.699,1208 1.015,1209 1.68,1210 1.153,1211 1.123,1212 1.513,1213 1.425,1214 0.825,1215 1.429,1216 1.147,1217 1.064,1218 1.26,1219 1.376,1220 0.284,1221 1.385,1222 1.028,1223 0.979,1224 1.163,1225 1.232,1226 0.252,1227 1.234,1228 0.868,1229 0.824,1230 1.093,1231 1.016,1232 0.17,1233 1.059,1234 0.735,1235 0.702,1236 1.006,1237 0.995,1238 0.134,1239 0.973,1240 4.007,1241 1.946,1242 5.333,1243 3.714,1244 6.849,1245 5.416,1246 8.454,1247 7.086,1248 10.105,1251 6.12,1252 27.921,1253 2.081,1256 2.541,1257 4.968,1258 5.118,1260 0.452,1267 27.598,1268 77.341,1269 153.26,1270 180.521,1271 194.131,1272 194.131,1273 194.131,1274 67.312,1275 6.802,1276 50.36,1277 50.36,1278 15,1279 12.364,1280 3.807,1281 3,1282 41.529,1283 83,1284 98,1285 0.234,1286 181.063,1287 317.51,1288 433.555,1289 7431,1290 10.3,1291 17.974,1292 0.719,1293 0.633,1294 18.234,1295 15.827,1296 11.952,1297 0.443,1298 0.335,1299 7.543,1300 10.41,1301 7.35,1302 6.016,1303 12.286,1304 9.033,1305 10.984,1306 0.289,1307 0.194,1308 11.547,1309 7.371,1310 8.673,1311 0.189,1312 0.096,1313 8.734,1314 4.406,1315 6.499,1316 0.118,1317 0.053,1318 7.314,1319 2.937,1320 5.021,1321 0.074,1322 0.026,1323 5.349,1324 1.741,1325 0.36,1326 92.629,1327 0.239,1328 24.228,1329 0.661,1330 130,1331 542.211,1332 310.958,1333 536.301,1334 679.55,1335 494,1336 152,1337 425.256,1338 229.623,1339 439.453,1340 642.94,1341 412,1342 5}
{0 CHEMBL1173655,1 1.772,2 12.294,3 3.917,4 15.346,5 129.707,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.726,15 4.893,16 4.197,17 4.056,18 5.876,19 4.048,20 4.942,21 5.121,22 4.274,23 4.171,24 6.139,25 4.13,26 4.967,27 5.208,28 4.165,29 4.132,30 6.015,31 4.071,32 4.859,33 5.044,34 4.213,35 4.152,36 6.044,37 4.113,38 4.952,39 5.142,40 4.295,41 4.21,42 6.103,43 4.177,44 5.02,45 5.215,46 4.308,47 4.226,48 6.246,49 4.183,50 4.972,51 5.17,52 4.257,53 4.155,54 6.172,55 4.11,56 0.126,57 0.934,58 10.471,59 5.109,60 11.754,61 6.243,62 0.505,63 1.435,64 22.484,65 8.349,66 37.14,67 10.323,68 0.846,69 1.652,70 32.099,71 10.804,72 74.613,73 13.267,74 0.744,75 1.618,76 35.818,77 11.177,78 69.081,79 15.245,80 0.694,81 1.557,82 28.054,83 10.023,84 61.354,85 13.071,86 0.675,87 1.688,88 29.735,89 10.483,90 57.05,91 13.739,92 0.913,93 1.738,94 33.344,95 10.965,96 99.041,97 14.109,98 0.789,99 1.647,100 34.542,101 11.01,102 79.644,103 14.064,104 32,105 51,106 0.287,107 0.661,108 0.834,109 0.882,110 0.882,111 0.882,112 3.561,113 0.903,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,123 2,124 3,126 1,132 2,138 5,139 1,140 5,142 1,143 1,144 1,151 1,163 3,166 1,167 8,170 2,172 5,173 3,176 1,177 5,180 1,182 5,184 3,187 1,188 5,191 1,193 2,195 5,199 2,200 5,203 3,204 1,205 1,208 7,212 1,213 6,216 2,221 7,224 3,225 6,228 1,230 3,233 3,236 2,237 9,242 3,245 2,248 1,249 4,252 1,254 1,257 2,260 2346,261 22.739,262 22.739,263 22.739,264 22.739,265 22.739,266 20.314,267 32.664,268 13.563,269 23.485,270 18.303,271 18.303,272 18.303,273 18.303,274 18.303,275 14.602,276 46.591,277 6.532,278 19.582,279 4.11,280 1.8,281 0.731,282 0.432,283 0.432,284 0.432,285 4.254,286 1,289 1,290 888,291 4.062,293 86.25,294 299.294,298 161.313,301 1.841,302 42.381,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 75.333,314 418,315 4.58,316 3.499,317 6.591,318 4.113,319 3.146,320 4.514,321 1.058,322 10.562,323 3.041,324 4.22,325 3.312,326 6.107,327 3.774,328 2.846,329 3.872,330 0.916,331 8.973,332 2.637,333 4.044,334 3.241,335 5.948,336 3.655,337 2.723,338 3.528,339 0.86,340 8.314,341 2.529,342 3.721,343 3.017,344 5.369,345 3.436,346 2.483,347 3.007,348 0.86,349 6.999,350 2.357,351 3.566,352 2.691,353 5.354,354 3.272,355 2.314,356 2.875,357 0.4,358 6.816,359 2.203,360 3.455,361 2.643,362 5.056,363 3.144,364 2.218,365 2.66,366 0.172,367 6.034,368 2.034,369 3.322,370 2.437,371 4.945,372 3.061,373 2.109,374 2.502,376 5.602,377 1.976,378 3.215,379 2.125,380 4.644,381 2.828,382 1.869,383 2.235,385 5.126,386 1.78,387 2.978,388 2.037,389 4.415,390 2.476,391 1.549,392 2.187,394 4.261,395 1.431,396 2.82,397 1.932,398 4.041,399 2.319,400 1.414,401 1.948,403 3.523,404 1.217,405 2.665,406 1.549,407 3.871,408 2.222,409 1.315,410 1.687,411 3.096,412 1.19,413 2.517,414 1.509,415 3.425,416 2.005,417 1.094,418 1.342,419 2.489,420 0.991,421 2.185,422 1.358,423 3.265,424 1.956,425 0.989,426 1.17,427 2.115,428 0.944,429 1.679,430 0.938,431 3.09,432 1.543,433 0.618,434 0.618,435 1.372,436 0.566,437 1.618,438 0.832,439 3,440 1.344,441 0.424,442 0.505,443 1.106,444 0.383,445 16,446 0.471,447 0.873,448 0.026,449 43.5,450 1.279,451 20.5,452 0.603,453 23,454 0.676,455 29.588,456 0.87,457 37.4,458 0.634,459 37.102,460 1.091,461 8.869,462 0.261,463 7.516,464 0.221,465 0.146,467 0.338,470 1,471 0.748,472 1.32,473 0.63,474 1.102,475 0.58,476 0.954,477 1.004,478 0.987,479 0.748,480 0.861,481 0.63,482 0.834,483 1.08,484 1.167,485 0.98,486 1.089,487 0.907,488 1.076,489 0.83,490 0.859,491 0.735,492 0.796,493 0.79,494 0.778,495 0.691,496 0.804,497 0.854,498 0.971,499 0.81,500 0.962,501 0.848,502 1.007,503 0.755,504 0.974,505 0.832,506 0.955,507 1.043,508 0.894,509 0.894,510 0.891,511 1.191,512 0.957,513 1.042,514 1.083,515 1.002,516 1.06,517 1.132,518 1.018,519 7.5,520 0.289,521 3.333,522 1.972,523 1.986,524 1.007,525 0.945,526 0.657,527 0.501,528 0.294,529 16064,530 50340,531 2.059,532 42.4,534 20,536 1,537 2,540 2,542 1.767,543 1.925,544 3.565,545 0.235,550 104.576,551 1.772,552 4.082,553 5.152,554 5.45,555 5.45,556 5.45,557 3.067,558 4.735,559 5.051,560 3.759,561 2108.56,562 8.902,563 32537.3,568 347.076,569 1.419,570 5.016,571 0.203,572 0.008,573 0.065,574 0.039,575 0.041,576 0.019,577 0.017,578 0.012,579 0.01,580 0.007,581 0.423,582 0.33,583 0.88,584 1.454,585 181.75,586 -0.062,587 -0.212,588 0.03,589 -0.1,590 -0.048,591 -0.021,592 -0.086,593 0.035,594 0.041,595 0.09,596 0.033,597 0.088,598 -0.033,599 -0.158,600 -0.064,601 -0.109,602 0.01,603 -0.128,604 0.006,605 0.044,606 0.172,607 0.164,608 -0.004,609 0.224,610 0.108,611 0.127,612 -0.015,613 -0.008,614 0.02,615 -0.006,617 -0.049,618 0.031,619 -0.028,620 -0.021,621 -0.007,622 -0.05,623 0.032,624 -0.035,625 0.042,626 -0.056,627 -0.026,628 -0.036,629 -0.148,630 -0.019,631 -0.086,632 -0.033,633 -0.056,634 2.176,635 5.571,636 0.618,637 41.059,638 1.018,639 1.135,640 2.83,641 8.01,642 0.671,643 3.638,644 3.951,645 4.174,646 4.431,647 4.673,648 4.812,649 4.99,650 5.182,651 5.318,652 5.384,653 7.427,654 0.648,655 485.99,656 3.638,657 5.176,658 6.009,659 6.878,660 7.734,661 8.612,662 9.48,663 10.363,664 11.24,665 12.128,666 8.5,669 1,673 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,699 1,703 1,704 2,705 59,706 19,707 2,708 37,710 62,711 24,712 14,713 7,714 5,715 3,717 4,718 5,719 1,724 2,727 2,729 17,730 7,733 2,737 1,738 2,740 1,745 1,747 25,748 9,749 2,750 10,751 1,755 5,760 0.75,761 3,766 1,774 1,778 1,779 3,783 1,790 1,795 2,800 1,802 1,803 3,807 2,808 1,809 1,811 34,817 4,818 2,819 2,821 1,822 1,832 2,833 5.1,836 1,837 1,838 1,841 17.667,842 11.136,843 7.444,844 3.333,847 3.558,848 1.446,849 0.976,850 7.958,851 11.54,852 3.882,853 4.466,854 5.012,855 5.596,856 6.197,857 6.549,858 6.987,859 7.471,860 7.901,861 8.14,862 1,863 50,864 12.591,865 5.352,866 7.895,867 23.595,868 18.934,869 2.395,870 81.444,874 270.735,875 140.698,876 72.717,877 39.149,878 47.145,879 14.96,881 140.698,882 357.029,883 87.677,884 16.793,885 31.836,886 66.334,887 86.192,888 68.849,889 17.288,890 258.964,891 39.149,892 270.735,893 213.415,894 62.105,895 39.149,897 262.153,898 59.687,899 11,900 63.734,901 97.158,902 91.672,904 285.695,905 119.862,906 179.847,909 270.735,910 48.953,911 94.869,912 36.022,913 134.825,914 270.735,915 134.822,916 179.847,918 0.579,919 0.319,920 0.166,921 0.091,922 23,923 11,924 0.129,925 8,926 1,927 1.095,928 4.437,929 315.404,930 0.095,931 21,932 170.974,936 24.361,937 11.106,938 6.435,939 1.256,940 134.822,941 9.24,942 8.683,946 1.495,948 36.022,949 585.404,950 47.5,954 12.571,955 3.254,957 -0.287,960 60.047,961 66.971,962 0.301,963 0.694,964 0.876,965 0.927,966 0.927,967 0.927,968 5.119,969 1.869,970 5.989,971 5.602,972 4.635,973 5.153,974 2.082,975 6.765,976 4.508,977 6.318,978 1.549,979 7.526,980 5.126,981 4.205,982 4.987,983 0.325,984 7.573,985 4.009,986 7.616,987 1.414,988 9.158,989 4.261,990 6.196,991 7.342,992 1.903,993 10.659,994 5.967,995 8.949,996 1.315,997 10.847,998 3.523,999 6.553,1000 7.999,1001 0.393,1002 12.29,1003 6.257,1004 10.312,1005 1.094,1006 12.572,1007 3.096,1008 8.019,1009 9.858,1010 1.815,1011 14.895,1012 7.696,1013 11.697,1014 0.989,1015 14.323,1016 2.489,1017 8.751,1018 10.923,1019 0.384,1020 16.899,1021 8.37,1022 13.102,1023 0.618,1024 16.093,1025 2.115,1026 10.001,1027 12.572,1028 1.774,1029 19.33,1030 9.594,1031 3.146,1032 0.424,1033 17.879,1034 1.372,1035 10.924,1036 13.85,1037 0.351,1038 21.511,1039 10.468,1040 2.846,1041 10.562,1042 19.677,1043 1.106,1044 12.085,1045 15.407,1046 1.767,1047 23.878,1048 11.602,1049 2.723,1050 8.973,1051 21.485,1052 4.514,1053 13.104,1054 16.792,1055 0.312,1056 26.144,1057 12.582,1058 2.483,1059 8.314,1060 23.302,1061 3.872,1062 14.232,1063 18.31,1064 1.786,1065 28.49,1066 13.682,1067 2.314,1068 6.999,1069 25.127,1070 3.528,1071 15.3,1072 19.751,1073 0.273,1074 30.797,1075 14.717,1076 2.218,1077 6.816,1078 26.958,1079 3.007,1080 16.419,1081 21.254,1082 1.825,1083 33.139,1084 15.809,1085 2.109,1086 6.034,1087 28.794,1088 2.875,1089 17.514,1090 22.723,1091 0.236,1092 35.467,1093 16.874,1094 15557,1095 27786,1096 24.561,1097 39.563,1098 54.995,1099 56.97,1100 55.654,1101 54.671,1102 54.582,1103 69.734,1104 8.534,1105 153.623,1106 50.851,1107 5.517,1108 5.499,1109 6.204,1110 5.231,1111 5.146,1112 7.514,1113 2.117,1114 17.503,1115 5.041,1116 18.08,1117 1.486,1118 1.54,1119 1.504,1120 1.478,1121 1.475,1122 1.885,1123 0.231,1124 4.152,1125 1.374,1126 4.088,1127 4.118,1128 4.079,1129 3.986,1130 8.201,1131 4,1132 3.891,1133 3.913,1134 3.983,1135 3.82,1136 7.43,1137 3.82,1138 3.784,1139 3.824,1140 3.683,1141 3.6,1142 5.089,1143 3.61,1144 3.745,1145 3.801,1146 3.645,1147 3.577,1148 4.858,1149 3.585,1150 3.525,1151 3.591,1152 3.449,1153 3.288,1154 4.747,1155 3.316,1156 3.362,1157 3.415,1158 3.341,1159 3.168,1160 4.521,1161 3.183,1162 3.121,1163 3.189,1164 3.247,1165 2.928,1166 4.418,1167 2.946,1168 2.999,1169 3.067,1170 3.013,1171 2.804,1172 4.364,1173 2.791,1174 0.124,1175 0.095,1176 0.178,1177 0.111,1178 0.085,1179 4.58,1180 0.122,1181 3.499,1182 0.029,1183 6.591,1184 0.285,1185 4.113,1186 0.082,1187 3.146,1188 4.514,1189 1.058,1190 10.562,1191 3.041,1192 2.013,1193 1.989,1194 2.063,1195 2.132,1196 1.214,1197 2.113,1198 1.856,1199 1.837,1200 1.928,1201 1.952,1202 1.154,1203 1.951,1204 1.699,1205 1.646,1206 1.902,1207 1.902,1208 1.047,1209 1.907,1210 1.565,1211 1.516,1212 1.803,1213 1.761,1214 1.033,1215 1.771,1216 1.435,1217 1.364,1218 1.665,1219 1.694,1220 0.793,1221 1.682,1222 1.319,1223 1.266,1224 1.577,1225 1.609,1226 0.699,1227 1.597,1228 1.263,1229 1.208,1230 1.44,1231 1.487,1232 0.469,1233 1.488,1234 1.044,1235 0.986,1236 1.417,1237 1.289,1238 0.46,1239 1.308,1240 4.317,1242 5.631,1243 2.398,1244 7.122,1245 4.443,1246 8.705,1247 6.26,1248 10.342,1250 3.841,1251 5.912,1252 13.552,1256 2.506,1257 6.034,1258 11.549,1260 -0.113,1261 1.95,1267 38.257,1268 104.576,1269 240.863,1270 303.957,1271 321.566,1272 321.566,1273 321.566,1274 72.926,1275 7.981,1276 88.61,1277 88.61,1278 23,1279 12.661,1280 4.322,1281 3.524,1282 56.504,1283 146,1284 166,1285 0.183,1286 237.63,1287 417.87,1288 571.578,1289 32653,1290 3.4,1291 24.079,1292 0.708,1293 0.577,1294 23.709,1295 19.603,1296 16.385,1297 0.443,1298 0.301,1299 10.578,1300 15.275,1301 10.289,1302 8.518,1303 16.263,1304 11.141,1305 15.028,1306 0.295,1307 0.167,1308 14.94,1309 8.506,1310 11.845,1311 0.185,1312 0.084,1313 11.446,1314 5.388,1315 9.611,1316 0.116,1317 0.043,1318 9.78,1319 3.6,1320 7.652,1321 0.072,1322 0.021,1323 7.561,1324 2.187,1325 0.285,1326 107.252,1327 0.202,1328 31.382,1329 0.507,1330 176,1331 623.122,1332 213.726,1333 596.032,1334 786.68,1335 556,1336 203,1337 538.678,1338 238.133,1339 548.304,1340 799.81,1341 512,1342 5}
{0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,118 51.4,132 2,133 1,135 1,138 6,139 1,140 5,151 3,159 1,163 5,166 2,167 6,173 11,176 1,177 7,184 13,187 1,188 4,195 6,199 1,200 18,208 8,213 9,221 8,225 3,233 2,237 2,245 7,249 1,257 3,260 1112,261 18.654,262 18.654,263 18.654,264 18.654,265 18.654,266 16.187,267 19.118,268 10.719,269 19.305,270 15.266,271 15.266,272 15.266,273 15.266,274 15.266,275 11.457,276 21.577,277 5.067,278 16.502,279 3.189,280 1.461,281 0.689,282 0.216,283 0.216,284 0.216,285 4.069,286 2,289 1,290 659,291 2.55,294 301.744,298 114.555,301 1.745,302 45.737,305 0.75,306 0.83,307 0.83,308 0.3,310 0.83,311 1,312 0.65,313 62.167,314 304,315 4.659,316 4.62,317 7.045,318 4.27,319 3.3,320 4.28,321 3.37,322 12.073,323 3.195,324 4.265,325 3.709,326 6.252,327 3.817,328 2.906,329 3.894,330 1.208,331 9.257,332 2.633,333 4.146,334 3.398,335 6.088,336 3.716,337 2.786,338 3.648,339 0.618,340 8.827,341 2.561,342 3.818,343 3.258,344 5.582,345 3.343,346 2.406,347 3.147,349 7.21,350 2.237,351 3.456,352 2.94,353 5.197,354 3.061,355 2.136,356 2.745,358 6.279,359 1.929,360 3.318,361 2.8,362 4.913,363 2.859,364 1.934,365 2.481,367 5.588,368 1.763,369 3.232,370 2.623,371 4.841,372 2.707,373 1.879,374 2.474,376 5.104,377 1.664,378 3.15,379 2.376,380 4.646,381 2.703,382 1.743,383 2.222,385 4.741,386 1.441,387 2.839,388 2.108,389 4.127,390 2.363,391 1.415,392 1.945,394 3.648,395 1.347,396 2.817,397 1.524,398 4.057,399 2.34,400 1.351,401 1.916,403 3.312,404 1.309,405 2.536,406 1.309,407 3.542,408 1.813,409 0.871,410 1.291,411 2.117,412 0.8,413 1.915,414 1.178,415 3.085,416 1.29,417 0.398,418 0.508,419 0.971,420 0.338,421 1.597,422 1.113,423 2.973,424 1.186,425 0.288,426 0.363,427 0.691,428 0.232,429 1.272,430 0.832,431 2.564,432 0.751,433 -0.151,434 -0.204,435 -0.374,436 -0.125,437 1,438 0.445,439 2.407,440 0.473,441 -0.347,442 -0.445,443 -0.757,444 -0.229,445 13.867,446 0.495,447 0.822,448 0.029,449 38,450 1.357,451 20,452 0.714,453 18,454 0.643,455 22.586,456 0.807,457 28.133,458 0.76,459 29.769,460 1.063,461 7.754,462 0.277,463 5.681,464 0.203,465 0.168,467 0.389,470 2,471 0.545,472 0.806,473 0.518,474 0.692,475 0.533,476 0.676,477 0.664,478 0.945,479 0.658,480 0.829,481 0.596,482 0.805,483 1.041,484 1.056,485 1.087,486 1.075,487 0.981,488 0.926,489 0.972,490 0.954,491 1.174,492 1.072,493 0.92,494 1.004,495 0.753,496 0.916,497 1.028,498 1.166,499 0.786,500 1.015,501 0.972,502 0.769,503 1.043,504 0.838,505 0.908,506 1.041,507 0.932,508 0.837,509 1.172,510 1.059,511 0.85,512 1.233,513 0.817,514 0.849,515 0.508,516 0.761,517 0.963,518 0.901,519 6,520 0.182,521 3.556,522 2.563,523 2.524,524 0.826,525 0.764,526 0.443,527 0.222,528 0.269,529 9437,530 40448,531 2.072,532 24.3,534 8,536 1,542 1.711,543 1.909,544 3.35,545 -0.671,550 74.755,551 2.02,552 3.749,553 4.52,554 4.993,555 4.993,556 4.993,557 2.901,558 4.138,559 4.778,560 3.537,561 1337.15,562 8.312,563 17189.3,568 192.75,569 1.497,570 4.723,571 0.194,572 0.008,573 0.079,574 0.052,575 0.055,576 0.018,577 0.021,578 0.017,579 0.01,580 0.013,581 0.468,582 0.33,583 0.88,584 0.616,585 139.301,586 -0.003,587 -0.001,588 0.004,589 0.02,590 -0.043,591 0.007,592 -0.014,593 -0.083,594 0.004,595 -0.022,596 0.011,597 -0.056,598 -0.159,599 -0.085,600 -0.098,601 -0.05,602 -0.119,603 0.012,604 -0.02,605 -0.013,606 -0.099,607 -0.058,608 0.022,609 -0.098,610 0.132,611 -0.1,612 -0.011,613 -0.258,614 0.068,615 -0.157,616 -0.141,617 0.038,618 -0.11,619 0.038,620 -0.133,621 -0.074,622 -0.089,623 0.025,624 -0.137,625 -0.04,626 -0.065,627 -0.072,628 0.13,629 0.191,630 0.483,631 0.398,633 0.336,634 2.353,635 5.899,636 0.786,637 25.98,638 1.049,639 1.115,640 5.495,641 30.19,642 0.798,643 3.466,644 3.829,645 4.127,646 4.431,647 4.7,648 4.727,649 4.844,650 5.037,651 5.17,652 5.215,653 6.335,654 0.784,655 436.28,656 3.466,657 5.03,658 5.9,659 6.801,660 7.689,661 8.594,662 9.489,663 10.395,664 11.295,665 12.202,666 8.1,669 1,675 2,681 6,686 6,688 12,704 4,705 37,706 17,707 2,708 31,710 40,711 19,712 12,713 6,714 6,715 7,717 4,718 5,719 2,729 19,733 5,737 1,738 3,739 2,740 4,745 2,747 9,748 6,750 9,751 3,755 3,757 1,760 0.75,761 1,779 4,783 1,795 3,796 1,803 3,804 1,805 1,808 2,809 2,811 28,820 1,822 1,832 4,833 2.7,836 1,841 14.667,842 7.005,843 6.028,844 2.077,847 3.464,848 1.445,849 1.025,850 5.174,851 11.246,852 3.761,853 4.382,854 4.977,855 5.55,856 6.112,857 6.353,858 6.709,859 7.156,860 7.537,861 7.841,862 1,863 49,864 10.378,865 4.657,866 8.204,867 18.782,868 15.489,869 2.704,870 75.722,874 105.94,875 158.397,876 36.45,877 78.297,878 25.145,879 29.92,880 32.22,881 126.177,882 209.382,883 66.371,886 75.81,887 54.118,888 69.615,889 29.92,890 126.388,891 78.297,892 105.94,893 162.627,894 55.065,895 110.517,897 135.86,898 25.145,900 36.45,901 104.468,902 100.007,903 32.22,904 135.86,905 61.595,906 236.694,909 105.94,910 73.968,911 87.43,913 166.811,914 105.94,915 91.515,916 236.694,918 0.594,919 0.354,920 0.198,921 0.112,922 23,923 11,924 0.075,925 3,926 1,927 1.091,928 3.842,929 253.772,930 0.091,931 22,932 128.606,933 1,936 19.037,937 7.61,938 3.701,940 91.515,941 8.234,946 -0.132,949 434.149,950 42,954 12.431,955 4.53,956 8.19,957 0.593,960 38.8,961 41.268,962 0.388,963 0.72,964 0.868,965 0.958,966 0.958,967 0.958,968 5.024,969 1.743,970 5.911,971 5.104,972 4.511,973 5.069,974 3.31,975 6.765,976 4.36,977 6.262,978 1.415,979 7.499,980 4.741,981 4.205,982 4.913,984 7.756,985 3.93,986 7.59,987 1.351,988 9.187,989 3.648,990 6.146,991 7.27,992 5.574,993 10.894,994 5.884,995 8.95,996 0.871,997 10.934,998 3.312,999 6.621,1000 7.89,1002 12.737,1003 6.261,1004 10.34,1005 0.398,1006 12.719,1007 2.117,1008 8.072,1009 9.739,1010 7.985,1011 15.422,1012 7.719,1013 11.752,1014 0.288,1015 14.532,1016 0.971,1017 8.916,1018 10.745,1020 17.636,1021 8.495,1022 13.182,1023 -0.151,1024 16.367,1025 0.691,1026 10.179,1027 12.37,1028 10.413,1029 20.173,1030 9.752,1031 3.3,1032 -0.347,1033 18.22,1034 -0.374,1035 11.196,1036 13.577,1038 22.546,1039 10.723,1040 2.906,1041 12.073,1042 20.087,1043 -0.757,1044 12.39,1045 15.097,1046 12.843,1047 25.039,1048 11.902,1049 2.786,1050 9.257,1051 21.966,1052 4.28,1053 13.488,1054 16.409,1056 27.478,1057 12.968,1058 2.406,1059 8.827,1060 23.855,1061 3.894,1062 14.659,1063 17.88,1064 15.272,1065 29.962,1066 14.121,1067 2.136,1068 7.21,1069 25.753,1070 3.648,1071 15.797,1072 19.248,1074 32.428,1075 15.232,1076 1.934,1077 6.279,1078 27.659,1079 3.147,1080 16.965,1081 20.697,1082 17.702,1083 34.912,1084 16.38,1085 1.879,1086 5.588,1087 29.57,1088 2.745,1089 18.121,1090 22.096,1092 37.391,1093 17.513,1094 9030,1095 18837,1096 20.403,1097 29.517,1098 48.27,1099 51.825,1100 49.211,1101 47.199,1102 46.83,1103 61.825,1104 10.391,1105 139.634,1106 42.898,1107 5.486,1108 6.62,1109 6.59,1110 5.404,1111 5.3,1112 7.28,1113 6.74,1114 19.503,1115 5.195,1116 15.262,1117 1.557,1118 1.672,1119 1.587,1120 1.523,1121 1.511,1122 1.994,1123 0.335,1124 4.504,1125 1.384,1126 4.021,1127 4.042,1128 4.149,1129 3.958,1130 8.211,1131 3.954,1132 3.897,1133 3.915,1134 4.051,1135 3.851,1136 8.191,1137 3.834,1138 3.771,1139 3.805,1140 3.802,1141 3.66,1142 7.431,1143 3.668,1144 3.419,1145 3.448,1146 3.582,1147 3.289,1148 5.023,1149 3.286,1150 3.062,1151 3.11,1152 3.535,1153 2.95,1154 4.836,1155 2.93,1156 2.934,1157 2.968,1158 3.16,1159 2.849,1160 4.632,1161 2.815,1162 2.901,1163 2.934,1164 3.066,1165 2.824,1166 4.496,1167 2.803,1168 2.885,1169 2.918,1170 2.916,1171 2.733,1172 4.358,1173 2.733,1174 0.15,1175 0.149,1176 0.227,1177 0.138,1178 0.106,1179 4.659,1180 0.138,1181 4.62,1182 0.109,1183 7.045,1184 0.389,1185 4.27,1186 0.103,1187 3.3,1188 4.28,1189 3.37,1190 12.073,1191 3.195,1192 1.952,1193 1.939,1194 1.985,1195 2.047,1196 1.152,1197 2.035,1198 1.86,1199 1.845,1200 1.917,1201 1.944,1202 1.038,1203 1.945,1204 1.722,1205 1.69,1206 1.807,1207 1.849,1208 0.883,1209 1.848,1210 1.337,1211 1.31,1212 1.439,1213 1.522,1214 0.467,1215 1.504,1216 1.004,1217 0.959,1218 1.121,1219 1.178,1220 0.188,1221 1.171,1222 0.865,1223 0.827,1224 1.114,1225 1.068,1226 0.16,1227 1.08,1228 0.849,1229 0.825,1230 1,1231 0.989,1232 0.105,1233 1.004,1234 0.835,1235 0.802,1236 0.869,1237 0.962,1238 0.073,1239 0.979,1240 4.143,1242 5.493,1244 7.047,1246 8.699,1248 10.401,1251 12.496,1252 26.974,1259 1.018,1261 1.389,1267 29.022,1268 74.755,1269 138.711,1270 167.24,1271 184.75,1272 184.75,1273 184.75,1274 65.282,1275 7.782,1276 47.26,1277 72.56,1278 24,1279 12.72,1280 4.17,1281 3.585,1282 42.438,1283 108,1284 114,1285 0.198,1286 185.822,1287 339.84,1288 445.166,1289 25663,1290 10.8,1291 19.836,1292 0.708,1293 0.578,1294 19.449,1295 16.195,1296 13.436,1297 0.433,1298 0.306,1299 7.912,1300 11.887,1301 7.662,1302 6.261,1303 13.617,1304 9.471,1305 12.589,1306 0.28,1307 0.168,1308 12.874,1309 7.576,1310 10.617,1311 0.174,1312 0.09,1313 11.159,1314 5.52,1315 9.166,1316 0.11,1317 0.049,1318 10.128,1319 4.053,1320 7.701,1321 0.071,1322 0.026,1323 8.564,1324 2.785,1325 0.308,1326 94.793,1327 0.221,1328 26.455,1329 0.554,1330 152,1331 622.16,1332 225.339,1333 631.651,1334 821.71,1335 584,1336 182,1337 531.755,1338 244.079,1339 560.053,1340 827.23,1341 527,1342 5.691}
{0 CHEMBL1221633,1 1.633,2 13.742,3 5.747,4 33.033,5 121.188,6 8.508,7 0.647,8 4.036,9 4.139,10 3.716,11 3.65,12 5.231,13 3.628,14 4.533,15 4.666,16 4.08,17 4.046,18 5.798,19 4.003,20 4.802,21 4.983,22 4.1,23 4.162,24 5.92,25 4.086,26 4.866,27 5.077,28 3.971,29 4.109,30 5.972,31 4.019,32 4.779,33 4.993,34 3.898,35 4.05,36 5.848,37 3.955,38 4.761,39 4.976,40 3.917,41 4.044,42 5.845,43 3.94,44 4.727,45 4.948,46 3.903,47 4.013,48 5.79,49 3.91,50 4.663,51 4.863,52 3.919,53 3.939,54 5.983,55 3.848,56 0.138,57 0.7,58 7.994,59 4.31,60 8.003,61 5.28,62 0.255,63 1.121,64 15.129,65 7.423,66 44.571,67 9.196,68 0.311,69 1.418,70 25.476,71 10.129,72 44.176,73 12.588,74 0.456,75 1.487,76 29.493,77 10.755,78 62.286,79 13.385,80 0.376,81 1.352,82 25.39,83 10.39,84 59.354,85 13.236,86 0.485,87 1.315,88 27.373,89 10.401,90 54.915,91 13.704,92 0.323,93 1.262,94 25.07,95 10.245,96 48.411,97 13.472,98 0.512,99 1.163,100 24.503,101 9.113,102 101.562,103 11.4,104 18,105 47,106 0.268,107 0.563,108 0.71,109 0.835,110 0.855,111 0.855,112 3.471,113 0.902,114 -5.99,115 -5.84,116 -5.44,118 47.1,120 2,124 1,138 12,139 3,140 3,147 1,148 1,151 1,159 2,163 13,166 1,167 7,170 1,172 3,173 15,177 12,182 3,184 12,188 11,193 1,195 10,200 3,203 1,205 1,208 16,212 1,213 2,216 3,218 1,221 19,224 1,225 3,230 2,233 14,236 2,237 7,242 2,245 11,249 7,254 2,257 9,260 1810,261 20.878,262 20.878,263 20.878,264 20.878,265 20.878,266 17.77,267 25.058,268 12.356,269 21.189,270 16.792,271 16.792,272 16.792,273 16.792,274 16.792,275 12.148,276 33.001,277 5.907,278 17.349,279 4.039,280 2.248,281 1.353,282 0.588,283 0.471,284 0.471,285 4.168,286 1,289 1,290 919,291 3.742,293 73.628,294 296.869,297 138.039,301 2.073,302 31.024,305 0.75,306 0.83,307 1,308 0.6,310 1,311 1,312 0.74,313 66.833,314 426,315 4.641,316 3.778,317 6.753,318 4.171,319 3.199,320 4.603,321 2.612,322 11.09,323 3.112,324 4.258,325 3.595,326 5.931,327 3.77,328 2.797,329 3.953,330 1.907,331 8.246,332 2.719,333 4.015,334 3.287,335 5.649,336 3.592,337 2.623,338 3.618,339 0.522,340 7.608,341 2.544,342 3.87,343 2.96,344 5.454,345 3.495,346 2.516,347 3.287,348 0.149,349 7.246,350 2.458,351 3.572,352 2.653,353 5.34,354 3.174,355 2.23,356 2.913,358 6.664,359 2.131,360 3.487,361 2.559,362 4.965,363 3.058,364 2.095,365 2.776,367 5.789,368 1.973,369 3.361,370 2.241,371 4.81,372 2.919,373 1.927,374 2.65,376 5.394,377 1.87,378 3.242,379 1.91,380 4.725,381 2.755,382 1.803,383 2.551,385 5.046,386 1.659,387 2.91,388 1.901,389 3.784,390 2.252,391 1.259,392 2.002,394 2.943,395 1.249,396 2.698,397 1.312,398 3.71,399 2.21,400 1.217,401 1.787,403 2.814,404 1.207,405 2.5,406 1.161,407 3.59,408 2.004,409 1.017,410 1.5,411 2.574,412 1,413 2.5,414 1,415 3.414,416 2,417 1,418 1.5,419 2.275,420 1,421 2.415,422 1,423 3.414,424 2,425 1,426 1.38,427 2.275,428 0.999,429 1.729,430 1,431 3.123,432 1.494,433 0.503,434 0.589,435 1.219,436 0.494,437 1.4,438 0.904,439 2.862,440 1.036,441 0.122,442 0.149,443 0.29,444 0.099,445 14.914,446 0.481,447 0.767,448 0.025,449 44.5,450 1.435,451 25,452 0.806,453 19.5,454 0.629,455 22.665,456 0.731,457 31.886,458 0.625,459 33.911,460 1.094,461 8.882,462 0.287,463 6.109,464 0.197,465 0.115,467 0.322,471 0.436,472 1.073,473 0.59,474 0.85,475 0.481,476 0.832,477 0.518,478 1.167,479 0.713,480 0.989,481 0.407,482 0.98,483 0.871,484 1.159,485 1.006,486 1.094,487 0.72,488 1.096,489 1.054,490 1.008,491 1.013,492 1.014,493 0.933,494 1.065,495 0.842,496 0.948,497 0.763,498 0.956,499 0.894,500 1.012,501 0.573,502 0.904,503 0.883,504 1.021,505 0.685,506 1.042,507 0.638,508 0.977,509 0.716,510 0.95,511 0.704,512 0.968,513 0.864,514 0.97,515 0.976,516 0.96,517 0.795,518 1.004,519 6.5,520 0.141,521 3.333,522 2.139,523 1.352,524 0.893,525 0.688,526 0.389,527 0.405,528 0.191,529 14257,530 46844,531 2.084,532 39.2,533 2,534 14,535 1,537 1,538 2,542 1.734,543 1.958,544 3.721,545 -0.361,550 83.306,551 1.633,552 3.425,553 4.319,554 5.084,555 5.202,556 5.202,557 3.216,558 4.503,559 4.922,560 3.9,561 1813.42,562 8.587,563 26937.7,568 289.294,569 1.383,570 4.888,571 0.191,572 0.005,573 0.071,574 0.046,575 0.034,576 0.023,577 0.018,578 0.011,579 0.012,580 0.006,581 0.418,582 0.17,583 0.88,584 0.701,585 163.932,586 0.152,587 0.035,588 0.029,589 0.048,590 -0.003,591 0.024,592 0.141,593 -0.106,594 -0.002,595 -0.064,596 0.175,597 -0.078,598 -0.098,599 -0.14,600 -0.12,601 -0.137,602 -0.033,603 -0.136,604 -0.153,605 -0.002,606 -0.132,607 -0.058,608 -0.063,609 -0.084,610 -0.041,611 0.019,612 0.01,613 0.012,614 -0.043,615 -0.002,616 0.175,617 0.06,618 0.012,619 -0.032,620 0.034,621 -0.017,622 0.074,623 -0.035,624 0.131,625 0.045,626 0.022,627 0.075,628 0.109,629 -0.004,630 0.018,631 0.03,632 0.19,633 -0.007,634 2.467,635 5.406,636 0.677,637 35.392,638 1.011,639 1.114,640 4.761,641 22.663,642 0.708,643 3.555,644 3.871,645 4.111,646 4.357,647 4.585,648 4.625,649 4.762,650 4.868,651 4.875,652 4.977,653 7.888,654 0.682,655 433.92,656 3.555,657 5.094,658 5.932,659 6.801,660 7.66,661 8.534,662 9.402,663 10.281,664 11.155,665 12.037,666 5.9,673 1,674 1,677 1,680 2,681 13,686 5,687 1,688 22,700 1,704 1,705 51,706 25,707 3,708 34,710 54,711 24,712 20,713 6,714 12,717 4,718 5,719 1,727 2,729 21,730 3,733 3,735 1,737 3,740 1,747 20,748 4,749 1,750 7,751 1,755 3,760 0.75,761 3,775 1,778 1,779 3,782 1,790 1,803 3,808 1,811 31,817 3,818 1,832 1,833 5.9,836 1,839 2,841 15.833,842 9.126,843 6.778,844 2.98,847 3.963,848 1.511,849 1.004,850 6.355,851 11.718,852 3.892,853 4.525,854 5.084,855 5.669,856 6.196,857 6.428,858 6.816,859 7.182,860 7.323,861 7.677,862 1,863 46,864 11.426,865 4.891,866 7.934,867 21.512,868 17.651,869 2.434,870 75.444,874 223.651,875 154.744,876 25.58,877 39.149,878 75.892,881 154.744,882 338.691,883 25.58,884 5.67,885 25.186,886 122.762,887 29.85,888 19.857,889 13.915,890 211.88,891 89.896,892 223.651,893 180.324,894 75.892,895 39.149,897 223.651,898 25.145,899 50.747,900 27.085,901 147.569,902 44.819,904 223.651,905 101.472,906 193.893,909 223.651,910 31.982,911 130.332,912 18.011,913 115.04,914 223.651,915 101.472,916 193.893,918 0.582,919 0.329,920 0.172,921 0.098,922 22,923 10,924 0.13,925 7,926 1,927 1.095,928 4.336,929 270.579,930 0.095,931 21,932 143.58,936 21.103,937 9.336,938 5.133,939 2.239,940 93.903,941 23.839,946 3.49,947 2.183,948 18.011,949 519.015,950 48,952 -0.467,954 33.893,957 -0.136,960 51.563,961 56.804,962 0.288,963 0.604,964 0.761,965 0.896,966 0.917,967 0.917,968 5.109,969 1.803,970 5.911,971 5.394,972 4.554,973 5.212,974 2.933,975 6.691,976 4.494,977 6.33,978 1.259,979 7.451,980 5.046,981 4.111,982 5.066,983 2.675,984 7.529,985 3.986,986 7.641,987 1.217,988 9.087,989 2.943,990 6.12,991 7.457,992 4.396,993 10.607,994 6.003,995 8.988,996 1.017,997 10.781,998 2.814,999 6.479,1000 8.137,1001 4.704,1002 12.315,1003 6.305,1004 10.364,1005 1,1006 12.514,1007 2.574,1008 7.963,1009 10.009,1010 6.084,1011 14.92,1012 7.791,1013 11.763,1014 1,1015 14.274,1016 2.275,1017 8.708,1018 11.097,1019 6.665,1020 17.023,1021 8.489,1022 13.181,1023 0.503,1024 16.057,1025 2.275,1026 9.975,1027 12.754,1028 7.87,1029 19.478,1030 9.749,1031 3.199,1032 0.122,1033 17.857,1034 1.219,1035 10.917,1036 14.053,1037 8.607,1038 21.757,1039 10.652,1040 2.797,1041 11.09,1042 19.673,1043 0.29,1044 12.096,1045 15.618,1046 9.711,1047 24.17,1048 11.815,1049 2.623,1050 8.246,1051 21.501,1052 4.603,1053 13.138,1054 17.026,1055 10.54,1056 26.522,1057 12.823,1058 2.516,1059 7.608,1060 23.341,1061 3.953,1062 14.285,1063 18.555,1064 11.585,1065 28.925,1066 13.95,1067 2.23,1068 7.246,1069 25.191,1070 3.618,1071 15.378,1072 20.016,1073 12.469,1074 31.308,1075 15.011,1076 2.095,1077 6.664,1078 27.049,1079 3.287,1080 16.518,1081 21.533,1082 13.48,1083 33.711,1084 16.127,1085 1.927,1086 5.789,1087 28.915,1088 2.913,1089 17.638,1090 23.023,1091 14.395,1092 36.106,1093 17.218,1094 13580,1095 24785,1096 22.77,1097 36.091,1098 50.866,1099 53.194,1100 52.108,1101 50.742,1102 50.617,1103 70.516,1104 10.38,1105 142.946,1106 49.026,1107 5.542,1108 5.778,1109 6.432,1110 5.195,1111 5.199,1112 7.603,1113 4.612,1114 18.148,1115 5.112,1116 15.414,1117 1.496,1118 1.565,1119 1.533,1120 1.492,1121 1.489,1122 2.074,1123 0.305,1124 4.204,1125 1.442,1126 4.158,1127 4.191,1128 4.124,1129 4.073,1130 7.815,1131 4.08,1132 3.986,1133 4.015,1134 3.97,1135 3.856,1136 7.429,1137 3.866,1138 3.885,1139 3.908,1140 3.948,1141 3.841,1142 6.999,1143 3.831,1144 3.65,1145 3.689,1146 3.59,1147 3.474,1148 4.966,1149 3.477,1150 3.479,1151 3.518,1152 3.437,1153 3.27,1154 4.889,1155 3.287,1156 3.395,1157 3.443,1158 3.394,1159 3.082,1160 4.711,1161 3.143,1162 3.141,1163 3.182,1164 3.227,1165 2.965,1166 4.358,1167 2.987,1168 2.896,1169 2.951,1170 2.945,1171 2.772,1172 4.222,1173 2.763,1174 0.136,1175 0.111,1176 0.199,1177 0.123,1178 0.094,1179 4.641,1180 0.135,1181 3.778,1182 0.077,1183 6.753,1184 0.326,1185 4.171,1186 0.092,1187 3.199,1188 4.603,1189 2.612,1190 11.09,1191 3.112,1192 1.962,1193 1.936,1194 2.057,1195 2.088,1196 1.249,1197 2.059,1198 1.917,1199 1.889,1200 2.016,1201 2.053,1202 1.197,1203 2.05,1204 1.892,1205 1.869,1206 1.994,1207 1.966,1208 1.083,1209 1.981,1210 1.672,1211 1.628,1212 1.844,1213 1.847,1214 1.025,1215 1.841,1216 1.417,1217 1.369,1218 1.582,1219 1.701,1220 0.75,1221 1.643,1222 1.223,1223 1.182,1224 1.357,1225 1.569,1226 0.48,1227 1.529,1228 1.086,1229 1.053,1230 1.239,1231 1.313,1232 0.252,1233 1.306,1234 0.886,1235 0.831,1236 1.181,1237 1.074,1238 0.218,1239 1.107,1240 4.234,1242 5.549,1243 2.398,1244 7.047,1245 4.844,1246 8.625,1247 7.034,1248 10.247,1251 5.99,1256 1.617,1257 2.797,1267 34.777,1268 83.306,1269 174.659,1270 220.274,1271 259.294,1272 265.294,1273 265.294,1274 58.713,1275 7.756,1276 79.85,1277 79.85,1278 23,1279 12.574,1280 4.7,1281 3.907,1282 49.606,1283 144,1284 150,1285 0.163,1286 216.989,1287 373.62,1288 521.213,1289 27152,1290 2,1291 21.794,1292 0.703,1293 0.561,1294 22.294,1295 17.38,1296 14.991,1297 0.441,1298 0.301,1299 9.778,1300 14.205,1301 9.549,1302 7.89,1303 15.28,1304 10.227,1305 13.673,1306 0.291,1307 0.164,1308 14.081,1309 7.714,1310 11.063,1311 0.184,1312 0.09,1313 11.352,1314 5.373,1315 8.969,1316 0.116,1317 0.048,1318 9.136,1319 3.704,1320 7.445,1321 0.077,1322 0.028,1323 7.681,1324 2.691,1325 0.262,1326 96.582,1327 0.21,1328 29.644,1329 0.428,1330 162,1331 503.033,1332 190.379,1333 520.152,1334 687.83,1335 480,1336 188,1337 481.287,1338 210.401,1339 494.281,1340 711.23,1341 464,1342 4.419}
{0 CHEMBL1230020,1 2.082,2 10,3 3.768,4 14.197,5 98.861,6 10.094,7 0.552,8 3.85,9 3.929,10 3.793,11 3.455,12 5.092,13 3.441,14 4.377,15 4.493,16 4.109,17 3.831,18 5.867,19 3.816,20 4.639,21 4.795,22 4.219,23 3.907,24 6.08,25 3.898,26 4.633,27 4.775,28 4.268,29 3.839,30 6.398,31 3.861,32 4.566,33 4.696,34 4.176,35 3.776,36 6.311,37 3.796,38 4.493,39 4.637,40 4.131,41 3.713,42 6.047,43 3.736,44 4.464,45 4.621,46 4.02,47 3.632,48 6.303,49 3.635,50 4.354,51 4.54,52 3.938,53 3.524,54 5.865,55 3.479,56 0.225,57 0.758,58 5.948,59 3.96,60 39.021,61 3.501,62 0.571,63 1.185,64 13.505,65 7.01,66 90.283,67 6.806,68 0.941,69 1.471,70 23.616,71 9.001,72 143.309,73 8.416,74 1.292,75 1.6,76 24.487,77 9.13,78 227.35,79 7.35,80 1.187,81 1.303,82 17.657,83 7.732,84 198.265,85 6.459,86 0.968,87 1.433,88 19.899,89 7.853,90 154.093,91 6.642,92 1.18,93 1.35,94 14.778,95 7.11,96 213.546,97 6.515,98 0.907,99 1.03,100 20.115,101 7.122,102 129.051,103 6.493,104 54,105 43,106 0.362,107 0.736,108 0.857,109 0.885,110 0.885,111 0.885,112 3.341,113 1.026,114 -3.76,115 -3.72,116 -3.54,118 41.5,119 1,120 1,124 1,138 3,139 3,140 4,141 1,147 1,150 1,154 1,163 4,166 1,167 3,170 3,172 3,173 4,177 6,182 4,184 3,188 6,191 1,193 2,195 3,199 1,200 6,203 1,205 2,208 3,213 1,218 2,221 6,224 2,225 3,229 1,230 2,233 3,237 4,240 1,245 2,249 3,252 2,254 1,257 3,260 1117,261 17.508,262 17.508,263 17.508,264 17.508,265 17.508,266 15.102,267 9.931,268 9.968,269 17.991,270 14.211,271 14.211,272 14.211,273 14.211,274 14.211,275 10.454,276 6.141,277 4.577,278 15.1,279 3.276,280 1.122,281 0.427,282 0.262,283 0.262,284 0.262,285 4.011,286 1,288 1,289 1,290 566,291 4,293 58.129,294 162.885,297 109.256,301 1.556,302 63.062,305 1,306 1,307 1,308 0.4,310 1,311 1,312 0.77,313 61.833,314 270,315 4.724,316 4.459,317 6.959,318 4.283,319 3.307,320 4.565,322 11.67,323 3.247,324 4.647,325 3.72,326 6.747,327 4.139,328 3.194,329 4.496,331 11.053,332 2.988,333 4.416,334 3.21,335 6.525,336 3.929,337 2.974,338 4.166,340 10.176,341 2.821,342 3.788,343 3,344 5.766,345 3.358,346 2.398,347 3.218,349 7.61,350 2.292,351 3.556,352 2.71,353 5.372,354 3.077,355 2.175,356 2.938,358 6.414,359 1.937,360 3.401,361 2.628,362 4.959,363 2.92,364 2.002,365 2.727,367 5.783,368 1.752,369 3.073,370 1.949,371 4.652,372 2.592,373 1.639,374 2.306,376 4.574,377 1.549,378 2.782,379 1.727,380 4.324,381 2.273,382 1.306,383 1.885,385 3.618,386 1.248,387 2.533,388 1.261,389 3.878,390 2.117,391 1.127,392 1.482,394 2.556,395 1.113,396 2.182,397 1.238,398 3.602,399 1.977,400 1.015,401 1.16,403 1.918,404 0.956,405 2.03,406 0.882,407 3.229,408 1.471,409 0.545,410 0.778,411 1.353,412 0.489,413 1.598,414 0.757,415 3.02,416 1.254,417 0.338,418 0.405,419 0.807,420 0.304,421 1.17,422 0.74,423 2.749,424 0.744,425 -0.179,426 -0.223,427 -0.442,428 -0.148,429 1,430 0.407,431 2.568,432 0.448,433 -0.397,434 -0.52,435 -0.789,436 -0.283,437 0.999,438 0.19,439 2.375,440 0.429,441 -0.494,442 -0.527,443 -0.931,444 -0.439,445 12.819,446 0.475,447 0.941,448 0.035,449 36.25,450 1.343,451 19,452 0.704,453 17.25,454 0.639,455 21.809,456 0.808,457 29.781,458 0.726,459 30.411,460 1.126,461 6.951,462 0.257,463 5.78,464 0.214,465 0.217,466 0.065,467 0.351,470 2,471 0.545,472 1.045,473 0.652,474 1.107,475 0.589,476 0.838,477 0.601,478 1.008,479 0.811,480 1.044,481 0.576,482 0.906,483 1.049,484 1.064,485 0.963,486 0.993,487 1.044,488 0.902,489 1.154,490 1.098,491 0.967,492 1.031,493 1.161,494 0.836,495 1.193,496 1,497 0.86,498 0.827,499 1.299,500 0.876,501 1.309,502 1.321,503 0.95,504 1.085,505 1.408,506 0.992,507 1.103,508 1.251,509 0.806,510 0.882,511 1.06,512 1.024,513 1.14,514 1.143,515 1.028,516 1.063,517 1.106,518 1.037,519 7,520 0.132,521 4,522 2.882,523 2.138,524 1.08,525 0.94,526 0.494,527 0.351,528 0.195,529 7608,530 31568,531 1.963,532 34.1,533 3,534 5,535 1,536 1,537 2,539 2,542 1.706,543 1.77,544 3.28,545 0.377,547 1,550 85.36,551 2.082,552 4.235,553 4.93,554 5.095,555 5.095,556 5.095,557 2.718,558 4.533,559 4.726,560 3.426,561 1202.48,562 8.23,563 14929.7,565 1,567 1,568 219.66,569 1.74,570 4.637,571 0.241,572 0.01,573 0.093,574 0.064,575 0.048,576 0.026,577 0.025,578 0.015,579 0.013,580 0.01,581 0.545,582 0.33,583 1,584 1.385,585 131.774,587 -0.071,588 0.107,589 -0.061,590 -0.074,591 0.039,592 0.086,593 -0.084,594 -0.019,595 -0.062,596 0.106,597 0.007,598 -0.131,599 -0.118,600 -0.028,601 -0.02,602 -0.118,603 0.06,604 0.016,605 0.042,606 -0.024,607 0.018,608 0.078,609 0.084,610 -0.032,611 0.004,612 -0.026,613 0.083,614 -0.038,615 0.007,616 -0.117,617 -0.097,618 -0.024,619 -0.121,620 -0.212,621 -0.068,622 0.149,623 0.049,624 -0.013,625 0.019,626 0.193,627 -0.127,628 -0.05,629 -0.017,630 0.079,631 -0.026,632 -0.064,633 -0.02,634 4.731,635 6.786,636 0.556,637 22.217,638 1.046,639 1.136,640 2.526,641 6.381,642 0.71,643 3.401,644 3.784,645 4.043,646 4.331,647 4.511,648 4.585,649 4.7,650 4.787,651 4.754,652 4.762,653 5.899,654 0.699,655 413.86,656 3.401,657 4.977,658 5.838,659 6.751,660 7.633,661 8.548,662 9.44,663 10.356,664 11.253,665 12.168,666 7.3,671 1,674 1,676 1,680 2,681 5,682 1,683 1,686 6,688 16,692 1,704 3,705 41,706 19,707 1,708 29,710 43,711 17,712 13,713 4,714 2,715 1,717 3,718 4,719 1,721 1,727 1,729 14,730 3,733 3,736 1,737 3,740 1,744 1,745 2,747 14,748 7,749 2,750 10,751 2,755 3,760 0.667,761 3,773 1,775 1,778 1,779 2,782 1,803 2,805 1,807 1,808 1,809 2,811 27,815 1,817 2,818 1,832 3,833 7.3,836 3,841 15.25,842 7.712,843 5.861,844 2.453,847 3.302,848 1.454,849 1.005,850 5.406,851 10.574,852 3.714,853 4.416,854 4.972,855 5.604,856 6.116,857 6.447,858 6.841,859 7.227,860 7.379,861 7.689,862 0.857,863 45,864 10.447,865 5.068,866 8.464,867 18.068,868 15.038,869 2.964,870 80.028,873 1,874 141.253,875 104.883,876 49.976,877 39.149,878 69.458,879 29.92,880 5.807,881 99.075,882 249.86,883 79.896,884 8.825,885 3.434,886 43.284,887 121.268,888 59.276,889 41.691,890 117.711,891 39.149,892 141.253,893 149.051,894 99.378,895 44.956,897 147.631,898 93,900 39.808,901 76.053,902 78.147,904 171.173,905 119.434,906 144.031,908 5.807,909 141.253,910 43.727,911 55.349,912 33.191,913 155.312,914 141.253,915 149.354,916 144.031,918 0.596,919 0.348,920 0.191,921 0.098,922 21,923 11,924 0.14,925 6,926 1,927 1.133,928 3.627,929 235.898,930 0.133,931 15,932 126.382,935 1,936 19.589,937 7.451,938 3.92,939 0.617,940 132.569,941 5.835,942 3.99,943 2.728,946 -3.55,948 33.191,949 434.639,950 40,953 -3.814,954 36.519,957 -0.961,960 42.898,961 46.573,962 0.389,963 0.791,964 0.92,965 0.951,966 0.951,967 0.951,968 4.977,969 1.306,970 5.894,971 4.574,972 4.466,973 5.103,975 6.792,976 4.357,977 6.261,978 1.127,979 7.52,980 3.618,981 4.369,982 5.33,984 8.019,985 4.188,986 7.643,987 1.015,988 9.251,989 2.556,990 6.196,991 7.508,993 11.06,994 6.005,995 9.065,996 0.545,997 11.04,998 1.918,999 6.858,1000 8.488,1002 13.027,1003 6.609,1004 10.516,1005 0.338,1006 12.864,1007 1.353,1008 8.243,1009 10.229,1011 15.659,1012 7.981,1013 11.987,1014 -0.179,1015 14.712,1016 0.807,1017 9.207,1018 11.509,1020 17.899,1021 8.901,1022 13.473,1023 -0.397,1024 16.576,1025 -0.442,1026 10.446,1027 13.1,1029 20.4,1030 10.119,1031 3.307,1032 -0.494,1033 18.452,1034 -0.789,1035 11.533,1036 14.504,1038 22.748,1039 11.169,1040 3.194,1041 11.67,1042 20.337,1043 -0.931,1044 12.723,1045 16.04,1047 25.202,1048 12.335,1049 2.974,1050 11.053,1051 22.229,1052 4.565,1053 13.859,1054 17.498,1056 27.595,1057 13.44,1058 2.398,1059 10.176,1060 24.127,1061 4.496,1062 15.035,1063 19.012,1065 30.033,1066 14.591,1067 2.175,1068 7.61,1069 26.028,1070 4.166,1071 16.192,1072 20.494,1074 32.448,1075 15.721,1076 2.002,1077 6.414,1078 27.934,1079 3.218,1080 17.364,1081 22.001,1083 34.881,1084 16.87,1085 1.639,1086 5.783,1087 29.842,1088 2.938,1089 18.531,1090 23.494,1092 37.306,1093 18.012,1094 7624,1095 15673,1096 18.205,1097 29.091,1098 44.355,1099 47.401,1100 46.895,1101 44.271,1102 44.04,1103 60.252,1105 135.065,1106 41.391,1107 5.574,1108 6.459,1109 6.676,1110 5.326,1111 5.307,1112 7.565,1114 19.344,1115 5.247,1116 17.232,1117 1.529,1118 1.635,1119 1.617,1120 1.527,1121 1.519,1122 2.078,1124 4.657,1125 1.427,1126 4.134,1127 4.162,1128 4.723,1129 4.042,1130 8.21,1131 4.042,1132 4.02,1133 4.013,1134 4.141,1135 3.963,1136 8.191,1137 3.89,1138 3.836,1139 3.833,1140 3.89,1141 3.767,1142 7.716,1143 3.723,1144 3.435,1145 3.478,1146 3.659,1147 3.321,1148 7.427,1149 3.321,1150 3.392,1151 3.441,1152 3.24,1153 3.23,1154 6.999,1155 3.185,1156 3.138,1157 3.164,1158 3.155,1159 2.94,1160 5.103,1161 2.964,1162 2.937,1163 2.985,1164 2.936,1165 2.723,1166 4.66,1167 2.748,1168 2.789,1169 2.857,1170 2.808,1171 2.594,1172 4.502,1173 2.613,1174 0.163,1175 0.154,1176 0.24,1177 0.148,1178 0.114,1179 4.724,1180 0.157,1181 4.459,1183 6.959,1184 0.402,1185 4.283,1186 0.112,1187 3.307,1188 4.565,1190 11.67,1191 3.247,1192 1.941,1193 1.935,1194 1.968,1195 2.044,1196 1.273,1197 2.055,1198 1.851,1199 1.838,1200 1.904,1201 1.973,1202 1.104,1203 1.969,1204 1.748,1205 1.747,1206 1.877,1207 1.88,1208 1.001,1209 1.906,1210 1.499,1211 1.451,1212 1.623,1213 1.702,1214 0.7,1215 1.691,1216 1.33,1217 1.292,1218 1.376,1219 1.547,1220 0.631,1221 1.593,1222 1.083,1223 1.047,1224 1.202,1225 1.282,1226 0.275,1227 1.265,1228 0.841,1229 0.814,1230 1.068,1231 1.096,1232 0.19,1233 1.102,1234 0.825,1235 0.773,1236 0.999,1237 0.997,1238 0.096,1239 1.001,1240 4.078,1242 5.442,1243 2.398,1244 6.995,1245 4.727,1246 8.636,1247 6.843,1248 10.324,1250 1.644,1251 5.876,1252 29.029,1256 0.076,1257 2.039,1267 28.677,1268 85.36,1269 173.644,1270 202.15,1271 208.905,1272 208.905,1273 208.905,1274 96.218,1275 7.271,1276 91.92,1277 100.3,1278 17,1279 12.683,1280 4.322,1281 3.585,1282 46.765,1283 93,1284 109,1285 0.246,1286 182.473,1287 316.99,1288 436.993,1289 12953,1290 7.3,1291 19.767,1292 0.732,1293 0.577,1294 18.777,1295 15.587,1296 12.731,1297 0.439,1298 0.342,1299 7.923,1300 11.074,1301 7.606,1302 6.276,1303 13.035,1304 9.92,1305 12.312,1306 0.286,1307 0.188,1308 13.071,1309 8.064,1310 9.756,1311 0.174,1312 0.098,1313 9.888,1314 5.482,1315 8.468,1316 0.113,1317 0.052,1318 8.641,1319 3.917,1320 6.216,1321 0.069,1322 0.025,1323 6.326,1324 2.255,1325 0.377,1326 92.697,1327 0.234,1328 25.434,1329 0.705,1330 144,1331 626.803,1332 212.35,1333 598.762,1334 768.64,1335 546,1336 171,1337 494.02,1338 242.126,1339 528.44,1340 773.65,1341 494,1342 5.745}
{0 CHEMBL1236107,1 1.623,2 10.731,3 3.403,4 11.578,5 103.098,6 9.217,7 0.867,8 3.829,9 3.94,10 3.642,11 3.455,12 5.026,13 3.437,14 4.294,15 4.44,16 4.046,17 3.831,18 5.445,19 3.809,20 4.428,21 4.597,22 4.039,23 3.91,24 5.552,25 3.836,26 4.391,27 4.585,28 3.875,29 3.811,30 5.447,31 3.719,32 4.291,33 4.491,34 3.827,35 3.7,36 5.335,37 3.618,38 4.228,39 4.422,40 3.757,41 3.628,42 5.318,43 3.567,44 4.165,45 4.358,46 3.696,47 3.532,48 5.303,49 3.485,50 4.023,51 4.213,52 3.466,53 3.445,54 5.121,55 3.387,56 0.097,57 0.691,58 5.169,59 3.012,60 6.507,61 3.276,62 0.186,63 1.1,64 11.121,65 4.777,66 10.517,67 5.044,68 0.242,69 1.226,70 16.502,71 6.462,72 20.241,73 6.669,74 0.225,75 1.132,76 15.46,77 6.453,78 19.77,79 7.127,80 0.239,81 1.046,82 16.434,83 5.982,84 16.004,85 6.385,86 0.197,87 0.988,88 14.325,89 5.214,90 17.168,91 5.218,92 0.321,93 0.968,94 14.677,95 4.658,96 19.123,97 4.673,98 0.143,99 0.762,100 8.904,101 4.082,102 13.225,103 4.966,104 2,105 43,106 0.28,107 0.629,108 0.794,109 0.889,110 0.889,111 0.889,112 3.305,113 0.882,114 -4.86,115 -4.77,116 -4.48,118 46.2,123 1,138 7,139 2,140 1,141 2,142 2,147 1,154 1,155 1,159 3,163 5,166 2,167 11,173 7,176 2,177 10,184 7,187 2,188 7,195 4,199 2,200 13,208 4,213 6,221 2,224 6,225 6,233 6,236 2,237 2,245 5,249 5,257 3,260 988,261 18.049,262 18.049,263 18.049,264 18.049,265 18.049,266 15.07,267 6.656,268 10.553,269 18.546,270 14.857,271 14.857,272 14.857,273 14.857,274 14.857,275 10.401,276 4.873,277 5.066,278 15.729,279 3.662,280 1.631,281 0.677,282 0.122,283 0.122,284 0.122,285 4.022,287 1,288 1,289 1,290 634,291 2.345,293 115.387,294 187.508,297 94.739,298 107.005,301 1.675,302 13.861,304 1,305 1,306 1,307 1,308 0.4,310 1,311 1,312 0.77,313 55.5,314 279,315 4.578,316 4.573,317 6.574,318 4.062,319 3.134,320 4.523,321 2.95,322 10.474,323 2.934,324 4.403,325 3.285,326 6.185,327 3.897,328 2.922,329 4.334,331 9.236,332 2.85,333 4.205,334 2.928,335 6.129,336 3.768,337 2.813,338 3.852,340 9.027,341 2.664,342 3.695,343 2.788,344 5.386,345 3.234,346 2.328,347 3.121,349 6.992,350 2.1,351 3.56,352 2.518,353 5.053,354 3.113,355 2.17,356 2.971,358 6.072,359 2.027,360 3.271,361 2.209,362 4.952,363 2.752,364 1.824,365 2.61,367 5.519,368 1.682,369 3.118,370 1.618,371 4.413,372 2.603,373 1.618,374 2.427,376 4.36,377 1.592,378 2.894,379 1.471,380 4.245,381 2.372,382 1.406,383 2.084,385 3.804,386 1.355,387 2.821,388 1.414,389 4.017,390 2.329,391 1.365,392 1.962,394 3.15,395 1.312,396 2.613,397 1.31,398 3.616,399 2.107,400 1.15,401 1.664,403 2.982,404 1.093,405 2.223,406 0.964,407 3.286,408 1.707,409 0.761,410 1.098,411 1.789,412 0.714,413 2.183,414 0.833,415 3.261,416 1.646,417 0.694,418 1.029,419 1.65,420 0.659,421 2.088,422 0.684,423 3.17,424 1.561,425 0.612,426 0.897,427 1.499,428 0.577,429 1.317,430 0.467,431 2.88,432 0.859,433 -0.029,434 -0.038,435 -0.079,436 -0.025,437 0.929,438 0.121,439 2.543,440 0.474,441 -0.485,442 -0.649,443 -1.219,444 -0.456,445 12.633,446 0.486,447 0.585,448 0.022,449 40,450 1.538,451 22.5,452 0.865,453 17.5,454 0.673,455 16.575,456 0.637,457 25.167,458 0.645,459 26.762,460 1.029,461 7.858,462 0.302,463 4.901,464 0.189,465 0.04,467 0.34,471 0.615,472 1.039,473 0.629,474 0.838,475 0.702,476 0.783,477 0.988,478 1.141,479 0.745,480 0.881,481 0.818,482 0.768,483 1.042,484 1.082,485 1.18,486 1.142,487 1.017,488 1.009,489 1,490 1.017,491 1.064,492 1.032,493 1.052,494 1.045,495 1.069,496 1.017,497 1.152,498 1.053,499 0.899,500 0.919,501 1.42,502 1.177,503 1.184,504 1.028,505 1.244,506 0.92,507 1.116,508 0.875,509 1.305,510 1.113,511 1.117,512 0.948,513 0.776,514 0.967,515 0.732,516 0.886,517 0.759,518 1.003,519 5,520 0.094,521 2.889,522 1.389,523 1.254,524 0.688,525 0.414,526 0.367,527 0.172,528 0.136,529 8952,530 24672,531 2.241,532 33.3,534 10,535 1,536 2,542 1.689,543 2.167,544 3.413,545 -0.684,547 1,550 63.315,551 1.623,552 3.654,553 4.608,554 5.163,555 5.163,556 5.163,557 2.902,558 4.393,559 4.673,560 3.537,561 1149.49,562 8.088,563 14195.1,564 1,565 1,567 1,568 206.131,569 1.142,570 4.66,571 0.167,572 0.006,573 0.067,574 0.035,575 0.037,576 0.021,577 0.013,578 0.013,579 0.007,580 0.007,581 0.373,582 0.33,583 0.88,584 0.362,585 127.048,586 0.244,587 0.012,588 0.08,589 -0.004,590 0.019,591 -0.014,592 0.005,593 -0.084,594 0.117,595 0.023,596 0.016,597 0.058,598 -0.074,599 -0.048,600 -0.074,601 -0.076,602 -0.036,603 -0.083,604 -0.051,605 -0.037,606 -0.027,607 -0.01,608 -0.09,609 -0.067,610 -0.032,611 -0.003,612 0.028,613 0.046,614 0.026,615 0.072,616 -0.303,617 -0.134,618 -0.084,619 0.003,620 -0.159,621 0.012,622 0.134,623 0.223,624 -0.18,625 -0.089,626 0.012,627 -0.055,628 0.092,629 -0.033,630 0.022,631 -0.036,632 0.198,633 -0.055,634 0.956,635 1.682,636 0.923,637 22.385,638 1.011,639 1.119,640 3.63,641 13.178,642 0.743,643 3.434,644 3.784,645 4.094,646 4.394,647 4.615,648 4.71,649 4.89,650 5.081,651 5.198,652 5.252,653 6.261,654 0.716,655 359.45,656 3.434,657 4.99,658 5.861,659 6.751,660 7.635,661 8.528,662 9.416,663 10.311,664 11.202,665 12.097,666 17.9,674 2,676 5,680 3,681 10,682 5,686 4,687 1,688 26,705 39,706 26,707 1,708 30,710 43,711 18,712 17,713 3,714 3,717 5,718 7,729 17,730 1,743 1,744 1,747 13,748 5,750 8,751 1,755 7,760 0.6,771 1,772 1,773 1,778 2,779 3,782 1,783 1,803 3,804 1,805 1,807 1,811 26,820 1,830 1,841 12,842 7.65,843 5.528,844 2.223,847 5.042,848 1.628,849 1.066,850 3.61,851 13.074,852 3.784,853 4.489,854 5.169,855 5.831,856 6.377,857 6.764,858 7.269,859 7.785,860 8.185,861 8.5,862 1,863 40,864 9.512,865 4.091,866 7.596,867 18.24,868 15.124,869 2.096,870 54.5,874 153.024,875 148.71,876 86.378,880 32.22,881 116.491,882 153.024,883 86.378,884 8.396,886 75.381,887 108.695,888 33.939,889 11.771,890 149.931,892 153.024,893 202.869,895 32.22,897 153.024,900 28.345,901 91.087,902 83.438,903 32.22,904 153.024,905 86.378,906 148.71,909 153.024,910 46.838,911 104.813,913 83.438,914 153.024,915 86.378,916 148.71,918 0.588,919 0.346,920 0.192,921 0.103,922 24,923 9,924 0.07,925 3,926 2,927 1.167,928 3.943,929 230.999,930 0.167,931 24,932 122.211,933 1,936 15.354,937 6.114,938 2.841,939 2.776,940 83.438,941 19.487,942 21.742,946 3.563,947 1.756,949 388.113,950 43,960 39.44,961 43.654,962 0.307,963 0.691,964 0.872,965 0.977,966 0.977,967 0.977,968 5.007,969 1.406,970 5.844,971 4.36,972 4.466,973 5.176,974 2.913,975 6.661,976 4.357,977 6.246,978 1.365,979 7.399,980 3.804,981 4.007,982 5.007,984 7.526,985 3.828,986 7.569,987 1.15,988 9.051,989 3.15,990 6.066,991 7.503,992 5.027,993 10.631,994 5.852,995 8.931,996 0.761,997 10.76,998 2.982,999 6.447,1000 8.204,1002 12.335,1003 6.163,1004 10.325,1005 0.694,1006 12.506,1007 1.789,1008 7.946,1009 10.116,1010 7.185,1011 14.928,1012 7.63,1013 11.741,1014 0.612,1015 14.278,1016 1.65,1017 8.715,1018 11.23,1020 16.978,1021 8.334,1022 13.175,1023 -0.029,1024 16.068,1025 1.499,1026 9.983,1027 12.897,1028 9.348,1029 19.391,1030 9.567,1031 3.134,1032 -0.485,1033 17.872,1034 -0.079,1035 10.935,1036 14.21,1038 21.589,1039 10.457,1040 2.922,1041 10.474,1042 19.686,1043 -1.219,1044 12.108,1045 15.772,1046 11.511,1047 23.938,1048 11.588,1049 2.813,1050 9.236,1051 21.509,1052 4.523,1053 13.145,1054 17.177,1056 26.203,1057 12.565,1058 2.328,1059 9.027,1060 23.339,1061 4.334,1062 14.28,1063 18.695,1064 13.675,1065 28.531,1066 13.652,1067 2.17,1068 6.992,1069 25.174,1070 3.852,1071 15.358,1072 20.145,1074 30.827,1075 14.671,1076 1.824,1077 6.072,1078 27.013,1079 3.121,1080 16.479,1081 21.646,1082 15.838,1083 33.151,1084 15.74,1085 1.618,1086 5.519,1087 28.856,1088 2.971,1089 17.577,1090 23.117,1092 35.464,1093 16.779,1094 8108,1095 13651,1096 20.978,1097 28.972,1098 46.04,1099 48.245,1100 46.067,1101 45.693,1102 45.596,1103 65.145,1104 5.9,1105 133.108,1106 43.118,1107 5.351,1108 6.573,1109 6.262,1110 5.224,1111 5.134,1112 7.523,1113 5.9,1114 17.234,1115 4.934,1116 6.8,1117 1.535,1118 1.608,1119 1.536,1120 1.523,1121 1.52,1122 2.172,1123 0.197,1124 4.437,1125 1.437,1126 4.118,1127 4.169,1128 4.196,1129 4.02,1130 5.211,1131 4.015,1132 4.029,1133 4.063,1134 4,1135 3.894,1136 4.988,1137 3.92,1138 3.863,1139 3.934,1140 3.851,1141 3.65,1142 4.941,1143 3.678,1144 3.454,1145 3.49,1146 3.584,1147 3.402,1148 4.449,1149 3.371,1150 3.268,1151 3.333,1152 3.218,1153 3.119,1154 4.346,1155 3.113,1156 3.032,1157 3.114,1158 3.007,1159 2.894,1160 3.96,1161 2.876,1162 2.979,1163 3.043,1164 2.85,1165 2.822,1166 3.908,1167 2.812,1168 2.742,1169 2.825,1170 2.736,1171 2.633,1172 3.743,1173 2.6,1174 0.153,1175 0.152,1176 0.219,1177 0.135,1178 0.104,1179 4.578,1180 0.151,1181 4.573,1182 0.098,1183 6.574,1184 0.349,1185 4.062,1186 0.098,1187 3.134,1188 4.523,1189 2.95,1190 10.474,1191 2.934,1192 2.027,1193 2.006,1194 2.094,1195 2.104,1196 1.213,1197 2.107,1198 1.863,1199 1.823,1200 1.926,1201 2.038,1202 1.02,1203 2.006,1204 1.502,1205 1.446,1206 1.724,1207 1.802,1208 0.777,1209 1.778,1210 1.461,1211 1.412,1212 1.599,1213 1.568,1214 0.671,1215 1.593,1216 1.347,1217 1.286,1218 1.482,1219 1.508,1220 0.568,1221 1.502,1222 1.169,1223 1.121,1224 1.196,1225 1.422,1226 0.305,1227 1.375,1228 0.962,1229 0.904,1230 1.125,1231 1.141,1232 0.204,1233 1.158,1234 0.772,1235 0.695,1236 1.076,1237 1.06,1238 0.049,1239 1.081,1240 4.111,1242 5.451,1243 3.045,1244 6.98,1245 5.352,1246 8.594,1247 7.391,1248 10.254,1250 1.886,1259 1.526,1267 27.917,1268 63.315,1269 142.505,1270 179.724,1271 201.376,1272 201.376,1273 201.376,1274 26.188,1275 8.031,1276 73.79,1277 99.09,1278 28,1279 12.623,1280 4.755,1281 3.807,1282 33.97,1283 97,1284 93,1285 0.169,1286 172.955,1287 270.13,1288 413.771,1289 36896,1291 17.51,1292 0.673,1293 0.563,1294 17.863,1295 14.629,1296 12.759,1297 0.425,1298 0.294,1299 7.949,1300 11.793,1301 7.697,1302 6.39,1303 13.167,1304 8.82,1305 11.732,1306 0.273,1307 0.16,1308 12.401,1309 6.874,1310 10.289,1311 0.174,1312 0.084,1313 11.046,1314 4.945,1315 8.893,1316 0.111,1317 0.045,1318 9.73,1319 3.598,1320 7.233,1321 0.072,1322 0.025,1323 8.181,1324 2.526,1325 0.266,1326 84.097,1327 0.218,1328 25.09,1329 0.465,1330 146,1331 422.376,1332 186.279,1333 439.426,1334 624.83,1335 414,1336 175,1337 478.65,1338 213.339,1339 498.75,1340 729.05,1341 469,1342 5}
{0 CHEMBL1240703,1 1.529,2 10.955,3 4.94,4 24.402,5 162.643,6 7.928,7 0.577,8 4.452,9 4.549,10 4.09,11 4.028,12 5.543,13 4.027,14 5.039,15 5.174,16 4.574,17 4.499,18 6.116,19 4.496,20 5.354,21 5.503,22 4.807,23 4.747,24 6.415,25 4.739,26 5.555,27 5.708,28 4.955,29 4.916,30 6.651,31 4.899,32 5.712,33 5.88,34 5.019,35 5.024,36 6.785,37 4.991,38 5.807,39 5.998,40 5.004,41 5.077,42 6.861,43 5.016,44 5.835,45 6.046,46 4.881,47 5.022,48 6.889,49 4.938,50 5.703,51 5.922,52 4.64,53 4.855,54 6.751,55 4.751,56 0.074,57 1.064,58 13.58,59 6.747,60 16.837,61 7.968,62 0.531,63 1.884,64 28.133,65 11.685,66 41.046,67 14.14,68 0.695,69 2.532,70 40.329,71 16.193,72 56.058,73 19.403,74 0.778,75 3.064,76 49.956,77 20.238,78 96.563,79 24.274,80 1.043,81 3.566,82 60.228,83 23.585,84 96.073,85 28.642,86 1.038,87 3.852,88 68.795,89 27.353,90 109.954,91 34.694,92 1.207,93 3.83,94 75.265,95 28.908,96 156.498,97 36.875,98 1.098,99 3.326,100 67.314,101 25.466,102 138.141,103 32.452,104 38,105 83,106 0.231,107 0.568,108 0.737,109 0.827,110 0.863,111 0.879,112 3.812,113 0.859,114 -4.59,115 -4.51,116 -4.24,118 47.3,119 1,120 1,123 2,126 2,127 2,129 1,138 13,139 7,148 4,151 2,163 19,166 3,167 14,170 1,171 1,172 3,173 20,176 4,177 16,182 4,184 16,187 3,188 22,191 1,193 4,195 18,199 3,200 18,203 3,205 4,208 21,212 4,213 25,216 1,218 7,221 21,224 1,225 22,228 2,230 8,233 15,237 19,240 2,242 2,245 18,248 2,249 10,252 2,257 23,260 3014,261 30.299,262 30.299,263 30.299,264 30.299,265 30.299,266 26.829,267 30.107,268 17.014,269 30.897,270 25.625,271 25.625,272 25.625,273 25.625,274 25.625,275 20.015,276 42.947,277 7.961,278 26.559,279 4.68,280 2.443,281 1.325,282 0.729,283 0.49,284 0.382,285 4.548,289 1,290 1118,291 4.359,293 121.185,294 299.889,295 49.544,297 439.111,298 146.694,299 82.085,300 664.026,301 1.508,302 52.322,305 0.75,306 0.5,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.73,313 95,314 482,315 5.138,316 4.043,317 8.024,318 4.739,319 3.793,320 5.289,321 1.336,322 15.536,323 3.613,324 4.75,325 3.795,326 7.474,327 4.443,328 3.479,329 4.71,330 1.2,331 13.722,332 3.327,333 4.543,334 3.694,335 7.021,336 4.175,337 3.21,338 3.989,339 1.157,340 12.03,341 3.099,342 4.285,343 3.386,344 6.766,345 3.998,346 3.028,347 3.729,348 0.947,349 10.942,350 2.937,351 4.182,352 3.266,353 6.561,354 3.864,355 2.885,356 3.608,357 0.86,358 10.12,359 2.819,360 3.862,361 2.917,362 6.172,363 3.482,364 2.514,365 3.419,366 0.297,367 8.82,368 2.422,369 3.744,370 2.719,371 6.05,372 3.376,373 2.404,374 3.089,375 0.293,376 8.417,377 2.342,378 3.578,379 2.675,380 5.919,381 3.265,382 2.314,383 2.882,385 7.954,386 2.182,387 3.524,388 2.377,389 5.707,390 3.125,391 2.134,392 2.818,394 7.212,395 2.106,396 3.291,397 2.209,398 5.427,399 2.877,400 1.915,401 2.546,403 6.136,404 1.842,405 3.083,406 2.086,407 5.061,408 2.697,409 1.736,410 2.21,411 5.186,412 1.668,413 2.996,414 2.041,415 5.018,416 2.633,417 1.648,418 2.113,419 4.93,420 1.604,421 2.91,422 1.899,423 4.776,424 2.534,425 1.575,426 2.082,427 4.553,428 1.499,429 2.86,430 1.524,431 4.615,432 2.389,433 1.401,434 1.962,435 4.114,436 1.383,437 2.712,438 1.486,439 4.108,440 2.301,441 1.336,442 1.774,443 3.097,444 1.287,445 20.767,446 0.472,447 1.342,448 0.03,449 57.5,450 1.307,451 27,452 0.614,453 30.5,454 0.693,455 50.138,456 1.139,457 45.233,458 0.611,459 57.233,460 1.301,461 11.281,462 0.256,463 10.065,464 0.229,465 0.12,466 0.024,467 0.467,471 0.8,472 1.228,473 0.703,474 0.984,475 0.679,476 0.851,477 0.92,478 1.003,479 0.763,480 0.809,481 0.639,482 0.763,483 1.094,484 1.016,485 0.854,486 0.881,487 0.811,488 0.827,489 1.13,490 1.095,491 0.913,492 0.977,493 0.963,494 0.916,495 1.141,496 1.061,497 1.027,498 1.018,499 0.93,500 0.999,501 0.947,502 1.098,503 1.016,504 1.09,505 0.812,506 1.067,507 1.053,508 1.048,509 1.077,510 1.081,511 1.089,512 1.084,513 1.134,514 1.021,515 1.179,516 1.101,517 1.141,518 1.141,519 7,520 0.268,521 5.778,522 5.972,523 4.638,524 3.362,525 2.694,526 1.621,527 0.966,528 0.552,529 27782,530 69378,531 2.223,532 40.5,534 21,535 2,537 2,540 3,541 2,542 1.835,543 2.054,544 3.332,545 0.081,550 113.158,551 1.529,552 3.766,553 4.885,554 5.481,555 5.719,556 5.827,557 2.771,558 5.187,559 5.428,560 3.497,561 3308.49,562 9.693,563 52353.2,568 459.5,569 1.563,570 5.382,571 0.135,572 0.006,573 0.07,574 0.058,575 0.039,576 0.027,577 0.023,578 0.016,579 0.012,580 0.009,581 0.395,582 0.33,583 0.75,584 0.64,585 241.215,586 -0.054,587 -0.131,588 0.066,589 -0.014,590 -0.093,591 0.035,592 0.06,593 0.096,594 0.103,595 0.139,596 0.01,597 0.126,598 -0.019,599 0.056,600 0.052,601 0.071,602 -0.024,603 0.076,604 -0.047,605 -0.046,606 0.007,607 -0.017,608 0.004,609 -0.001,610 -0.047,611 -0.014,612 -0.084,613 -0.063,614 -0.031,615 -0.076,616 0.014,617 -0.092,618 -0.053,619 -0.112,620 0.027,621 -0.097,622 -0.022,623 -0.086,624 -0.063,625 -0.089,626 -0.017,627 -0.083,628 -0.085,629 -0.069,630 -0.15,631 -0.107,632 -0.078,633 -0.133,634 2.486,635 6.891,636 0.795,637 42.955,638 1.007,639 1.114,640 3.358,641 11.275,642 0.692,643 3.97,644 4.431,645 4.898,646 5.371,647 5.79,648 6.161,649 6.562,650 6.93,651 7.229,652 7.519,653 6.401,654 0.669,655 586.69,656 3.97,657 5.602,658 6.555,659 7.535,660 8.515,661 9.51,662 10.503,663 11.505,664 12.505,665 13.512,666 5.4,673 2,674 2,680 8,681 13,686 3,687 2,688 30,694 1,695 1,705 74,706 32,707 4,708 52,710 82,711 35,712 24,713 11,714 13,715 2,717 9,718 81,721 1,724 4,727 4,729 26,730 9,733 2,737 2,740 2,747 30,748 7,749 2,750 9,755 4,760 0.222,761 5,775 2,778 3,779 5,780 1,782 6,783 2,784 1,785 7,801 1,802 2,803 2,807 3,811 44,816 1,817 1,818 1,819 2,821 4,822 1,823 1,833 6.8,834 1,836 2,837 2,841 21.417,842 14.383,843 9.208,844 4.471,847 6.054,848 1.54,849 1.044,850 5.397,851 17.257,852 4.248,853 4.98,854 5.766,855 6.568,856 7.324,857 7.988,858 8.698,859 9.367,860 9.927,861 10.491,862 0.75,863 103,864 16.539,865 7.798,866 7.71,867 31.545,868 28.583,869 2.21,870 97.25,874 329.591,875 191.665,876 24.933,878 114.973,881 191.665,882 444.564,883 24.933,884 28.105,885 23.67,886 165.875,887 81.699,888 23.647,889 32.119,890 306.049,892 329.591,893 216.598,894 114.973,897 294.278,898 85.603,899 64.683,900 36.293,901 180.305,904 329.591,905 139.906,906 191.665,909 329.591,910 40.369,911 158.218,912 18.011,913 114.973,914 329.591,915 139.906,916 191.665,918 0.604,919 0.388,920 0.239,921 0.143,922 50,923 22,924 0.037,925 3,926 10,927 1.486,928 4.64,929 598.099,930 0.571,931 32,932 236.215,936 26.371,937 9.005,938 3.203,939 6.983,940 136.108,941 25.332,946 1.68,947 4.387,948 60.694,949 661.162,950 69,954 27.482,957 -0.393,960 74.531,961 82.438,962 0.246,963 0.606,964 0.787,965 0.883,966 0.921,967 0.938,968 5.57,969 2.314,970 6.611,971 8.417,972 5.118,973 5.67,974 2.554,975 7.626,976 5.047,977 6.839,978 2.134,979 8.293,980 7.954,981 4.977,982 5.732,983 1.025,984 8.967,985 4.855,986 8.217,987 1.915,988 10.083,989 7.212,990 6.919,991 8.064,992 2.709,993 12.207,994 6.77,995 9.637,996 1.736,997 11.94,998 6.136,999 7.621,1000 9.005,1001 1.63,1002 14.394,1003 7.413,1004 11.096,1005 1.648,1006 13.838,1007 5.186,1008 9.086,1009 10.856,1010 2.976,1011 17.219,1012 8.848,1013 12.583,1014 1.575,1015 15.767,1016 4.93,1017 10.139,1018 12.193,1019 2.195,1020 19.729,1021 9.842,1022 14.093,1023 1.401,1024 17.719,1025 4.553,1026 11.46,1027 13.884,1028 3.306,1029 22.45,1030 11.124,1031 3.793,1032 1.336,1033 19.689,1034 4.114,1035 12.654,1036 15.397,1037 2.759,1038 25.084,1039 12.263,1040 3.479,1041 15.536,1042 21.673,1043 3.097,1044 13.941,1045 17.042,1046 3.684,1047 27.788,1048 13.504,1049 3.21,1050 13.722,1051 23.669,1052 5.289,1053 15.193,1054 18.63,1055 3.324,1056 30.47,1057 14.703,1058 3.028,1059 12.03,1060 25.676,1061 4.71,1062 16.478,1063 20.267,1064 4.1,1065 33.178,1066 15.94,1067 2.885,1068 10.942,1069 27.692,1070 3.989,1071 17.756,1072 21.888,1073 3.89,1074 35.883,1075 17.166,1076 2.514,1077 10.12,1078 29.715,1079 3.729,1080 19.048,1081 23.529,1082 4.548,1083 38.599,1084 18.408,1085 2.404,1086 8.82,1087 31.745,1088 3.608,1089 20.341,1090 25.166,1091 4.456,1092 41.316,1093 19.65,1094 24898,1095 39485,1096 35.142,1097 51.193,1098 83.801,1099 85.386,1100 87.152,1101 82.891,1102 82.794,1103 108.604,1104 12.18,1105 274.369,1106 79.924,1107 6.138,1108 6.043,1109 7.826,1110 5.871,1111 5.793,1112 8.289,1113 2.493,1114 24.424,1115 5.613,1116 21.159,1117 1.612,1118 1.642,1119 1.676,1120 1.594,1121 1.592,1122 2.089,1123 0.234,1124 5.276,1125 1.537,1126 4.368,1127 4.39,1128 4.353,1129 4.286,1130 7.431,1131 4.3,1132 4.019,1133 4.046,1134 3.986,1135 3.953,1136 7.426,1137 3.957,1138 3.943,1139 3.972,1140 3.885,1141 3.858,1142 6.452,1143 3.858,1144 3.831,1145 3.86,1146 3.769,1147 3.686,1148 5.087,1149 3.701,1150 3.731,1151 3.763,1152 3.666,1153 3.622,1154 4.811,1155 3.626,1156 3.511,1157 3.564,1158 3.432,1159 3.322,1160 4.73,1161 3.346,1162 3.413,1163 3.468,1164 3.311,1165 3.234,1166 4.685,1167 3.241,1168 3.321,1169 3.376,1170 3.228,1171 3.132,1172 4.462,1173 3.151,1174 0.099,1175 0.078,1176 0.154,1177 0.091,1178 0.073,1179 5.138,1180 0.102,1181 4.043,1182 0.026,1183 8.024,1184 0.299,1185 4.739,1186 0.069,1187 3.793,1188 5.289,1189 1.336,1190 15.536,1191 3.613,1192 2.034,1193 2.027,1194 2.077,1195 2.095,1196 1.377,1197 2.081,1198 1.958,1199 1.932,1200 2.057,1201 2.068,1202 1.342,1203 2.068,1204 1.907,1205 1.882,1206 2.019,1207 2.019,1208 1.166,1209 2.005,1210 1.888,1211 1.856,1212 1.951,1213 1.999,1214 1.14,1215 2.003,1216 1.78,1217 1.746,1218 1.934,1219 1.918,1220 1.072,1221 1.927,1222 1.41,1223 1.353,1224 1.667,1225 1.674,1226 0.827,1227 1.658,1228 1.367,1229 1.322,1230 1.583,1231 1.649,1232 0.735,1233 1.62,1234 1.314,1235 1.27,1236 1.572,1237 1.55,1238 0.618,1239 1.553,1240 4.654,1242 6.08,1243 3.434,1244 7.717,1245 6.043,1246 9.456,1247 8.367,1248 11.253,1250 5.532,1255 11.331,1256 0.465,1257 2.778,1258 13.514,1260 -2.558,1261 1.788,1262 -1.072,1267 49.508,1268 113.158,1269 278.685,1270 361.478,1271 405.583,1272 423.235,1273 431.235,1274 85.004,1275 11.203,1276 97.96,1277 97.96,1278 52,1279 13.968,1280 5.044,1281 4.17,1282 51.439,1283 177,1284 213,1285 0.153,1286 286.137,1287 488.41,1288 689.934,1289 1325540,1291 30.068,1292 0.683,1293 0.556,1294 30.068,1295 24.444,1296 21.346,1297 0.411,1298 0.286,1299 14.672,1300 20.565,1301 14.327,1302 11.69,1303 21.346,1304 14.887,1305 20.482,1306 0.247,1307 0.147,1308 20.482,1309 12.22,1310 19.562,1311 0.147,1312 0.076,1313 19.562,1314 10.086,1315 18.819,1316 0.088,1317 0.039,1318 18.819,1319 8.371,1320 17.062,1321 0.052,1322 0.02,1323 17.062,1324 6.5,1325 0.227,1326 133.695,1327 0.169,1328 36.54,1329 0.473,1330 270,1331 712.36,1332 295.578,1333 681.976,1334 969.17,1335 644,1336 351,1337 747.433,1338 379.853,1339 753.841,1340 1156.83,1341 715,1342 5.959}
{0 CHEMBL1241674,1 1.606,2 8.043,3 2.744,4 7.527,5 89.221,6 7.907,7 0.769,8 3.809,9 3.94,10 3.427,11 3.316,12 4.998,13 3.326,14 4.295,15 4.466,16 3.836,17 3.718,18 5.44,19 3.717,20 4.504,21 4.699,22 3.871,23 3.811,24 5.636,25 3.793,26 4.592,27 4.824,28 3.845,29 3.812,30 5.701,31 3.771,32 4.484,33 4.702,34 3.686,35 3.731,36 5.562,37 3.674,38 4.411,39 4.62,40 3.621,41 3.669,42 5.521,43 3.617,44 4.498,45 4.765,46 3.399,47 3.616,48 5.519,49 3.508,50 4.324,51 4.618,52 3.148,53 3.372,54 5.26,55 3.239,56 0.1,57 0.657,58 7.475,59 2.975,60 11.951,61 3.847,62 0.171,63 1.031,64 13.36,65 5.062,66 18.42,67 6.93,68 0.28,69 1.193,70 17.675,71 5.714,72 26.54,73 7.973,74 0.4,75 1.242,76 20.893,77 6.472,78 37.848,79 9.343,80 0.359,81 1.111,82 18.105,83 5.797,84 31.978,85 8.239,86 0.224,87 1.06,88 16.204,89 5.097,90 27.427,91 7.339,92 0.372,93 1.019,94 20.418,95 5.868,96 41.837,97 8.859,98 0.277,99 0.775,100 18.592,101 5.846,102 29.432,103 8.887,104 18,105 39,106 0.282,107 0.702,108 0.803,109 0.839,110 0.839,111 0.839,112 3.19,113 0.848,114 -4.06,115 -4.01,116 -3.79,118 41,119 2,126 1,138 4,139 2,140 1,142 1,143 1,144 1,148 2,154 1,156 1,157 1,158 1,159 1,163 3,166 2,167 6,169 1,170 1,172 6,173 4,175 1,176 1,177 3,180 1,182 5,184 4,187 2,188 4,190 3,191 4,193 1,195 4,200 5,203 2,204 2,205 1,207 1,208 2,211 1,213 7,218 5,221 3,223 3,225 5,228 1,230 3,233 2,235 2,237 2,240 1,242 1,245 4,247 1,252 2,253 1,256 1,257 2,260 675,261 15.378,262 15.378,263 15.378,264 15.378,265 15.378,266 13.109,267 11.643,268 8.753,269 15.732,270 12.838,271 12.838,272 12.838,273 12.838,274 12.838,275 9.309,276 8.663,277 4.155,278 13.432,279 3.68,280 1.282,281 0.705,282 0.5,283 0.5,284 0.5,285 3.883,287 1,288 1,289 1,290 405,291 2.739,293 79.825,294 106.169,297 156.45,301 1.18,302 21.386,303 1,304 1,305 1,306 1,307 1,308 0.6,310 1,311 1,312 0.8,313 50,314 185,315 4.771,316 3.382,317 7.042,318 4.309,319 3.347,320 4.748,322 12.1,323 3.22,324 4.463,325 3.022,326 6.332,327 3.962,328 2.989,329 4.406,331 9.716,332 2.907,333 3.836,334 2.672,335 6.055,336 3.501,337 2.546,338 3.272,340 8.473,341 2.426,342 3.744,343 2.507,344 5.668,345 3.321,346 2.369,347 3.18,349 7.328,350 2.252,351 3.449,352 2.19,353 4.963,354 3.001,355 2.053,356 2.816,358 5.799,359 1.939,360 3.037,361 1.815,362 4.818,363 2.681,364 1.741,365 2.303,367 4.817,368 1.633,369 3.02,370 1.535,371 4.427,372 2.519,373 1.535,374 2.158,376 4.303,377 1.51,378 2.891,379 1.421,380 4.369,381 2.346,382 1.412,383 2.066,385 3.836,386 1.315,387 2.468,388 1.019,389 3.854,390 1.967,391 1.015,392 1.454,394 2.718,395 0.964,396 2.109,397 0.819,398 3.482,399 1.728,400 0.777,401 1.003,403 1.991,404 0.737,405 1.944,406 0.536,407 3.159,408 1.432,409 0.468,410 0.683,411 1.177,412 0.449,413 1.061,414 -0.116,415 2.632,416 0.628,417 -0.288,418 -0.366,419 -0.674,420 -0.263,421 0.955,422 -0.167,423 2.421,424 0.521,425 -0.413,426 -0.534,427 -1.055,428 -0.38,429 0.697,430 -0.7,431 2.353,432 0.216,433 -0.728,434 -0.999,435 -2,436 -0.685,437 0.591,438 -0.825,439 2.252,440 0.087,441 -0.876,442 -1,443 -2.119,444 -0.837,445 10.733,446 0.467,447 0.716,448 0.031,449 32.75,450 1.424,451 17,452 0.739,453 15.75,454 0.685,455 16.793,456 0.73,457 24.067,458 0.617,459 22.778,460 0.99,461 6.282,462 0.273,463 4.76,464 0.207,465 0.161,467 0.457,471 1.009,472 1.225,473 0.768,474 0.935,475 1.097,476 0.83,477 0.707,478 1.175,479 0.646,480 0.946,481 0.518,482 0.808,483 1.125,484 1.194,485 0.951,486 0.996,487 0.924,488 0.947,489 0.89,490 0.927,491 0.911,492 0.904,493 0.813,494 0.903,495 0.975,496 0.991,497 1.113,498 1.034,499 0.84,500 1.079,501 1.131,502 1.349,503 1.193,504 1.211,505 1.004,506 1.199,507 1.029,508 0.872,509 1.191,510 0.955,511 0.928,512 1.057,513 0.691,514 0.823,515 0.841,516 0.918,517 0.8,518 0.906,519 5,520 0.012,521 2.889,522 2.333,523 1.932,524 0.674,525 0.671,526 0.317,527 0.24,528 0.119,529 5166,530 14062,531 2.115,532 41,534 5,536 1,537 4,539 6,542 1.663,543 1.944,544 3.012,545 1.865,546 1,547 1,548 1,550 62.621,551 1.606,552 4.003,553 4.58,554 4.785,555 4.785,556 4.785,557 2.442,558 4.263,559 4.496,560 3.132,561 792.445,562 7.772,563 8611.62,564 1,565 1,566 1,567 1,568 206.131,569 1.491,570 4.44,571 0.192,572 0.004,573 0.074,574 0.06,575 0.052,576 0.022,577 0.023,578 0.014,579 0.014,580 0.012,581 0.468,582 0.33,583 1,584 0.832,585 104.624,586 -0.111,587 -0.032,588 0.025,589 0.064,590 -0.225,591 0.065,592 0.103,593 -0.053,594 0.205,595 0.049,596 0.142,597 0.127,598 -0.131,599 -0.114,600 -0.044,601 -0.045,602 -0.067,603 -0.033,604 0.063,605 0.101,606 0.052,607 0.033,608 0.026,609 0.036,610 -0.032,611 0.056,612 -0.18,613 -0.087,614 -0.034,615 -0.147,616 -0.247,617 -0.282,618 -0.286,619 -0.269,620 -0.174,621 -0.279,622 -0.146,623 0.08,624 -0.184,625 -0.011,626 -0.093,627 -0.078,628 0.143,629 -0.007,630 0.231,631 0.096,632 0.112,633 0.171,634 1.441,635 3.629,636 0.783,637 16.246,638 1.009,639 1.135,640 2.827,641 7.994,642 0.674,643 3.296,644 3.689,645 4.025,646 4.382,647 4.644,648 4.804,649 4.942,650 5.124,651 5.136,652 5.187,653 4.958,654 0.653,655 308.38,656 3.296,657 4.875,658 5.765,659 6.688,660 7.602,661 8.531,662 9.454,663 10.385,664 11.312,665 12.245,666 15.4,670 1,674 2,676 3,680 4,681 5,682 3,683 1,686 4,687 1,688 20,698 1,702 1,705 39,706 20,707 1,708 26,710 42,711 16,712 13,713 3,714 3,717 4,718 6,721 2,727 1,729 13,730 3,743 1,744 1,747 16,748 5,749 4,750 7,755 6,760 0.5,761 1,771 1,774 1,775 1,778 2,779 2,782 2,803 2,807 2,811 23,812 1,816 1,821 1,833 2.6,835 1,841 11.833,842 7.583,843 4.861,844 2.289,847 4.053,848 1.54,849 1.016,850 3.112,851 11.553,852 3.611,853 4.35,854 5.075,855 5.798,856 6.388,857 6.861,858 7.364,859 7.905,860 8.215,861 8.637,862 1,863 39,864 8.444,865 3.687,866 7.768,867 15.992,868 13.421,869 2.268,870 52.167,874 141.253,875 81.021,876 101.693,878 42.683,881 81.021,882 183.937,883 101.693,884 17.65,886 70.802,887 106.404,888 35.083,889 7.229,890 129.482,892 141.253,893 182.714,894 42.683,897 70.627,898 113.31,900 49.303,901 83.177,902 50.234,904 141.253,905 144.377,906 81.021,909 141.253,910 16.847,911 65.951,912 16.786,913 125.815,914 141.253,915 144.377,916 81.021,918 0.6,919 0.356,920 0.204,921 0.118,922 22,923 10,924 0.048,925 2,926 2,927 1.222,928 3.409,929 201.251,930 0.222,931 18,932 102.042,936 14.182,937 5.047,938 2.186,939 3.268,940 125.815,941 8.566,942 13.105,943 3.313,946 2.154,947 1.839,948 92.366,949 366.651,950 36,960 39.356,961 44.275,962 0.304,963 0.757,964 0.867,965 0.905,966 0.905,967 0.905,968 4.868,969 1.412,970 5.79,971 4.303,972 4.369,973 5.037,975 6.681,976 4.284,977 6.134,978 1.015,979 7.398,980 3.836,981 4.111,982 5.047,984 7.716,985 3.989,986 7.486,987 0.777,988 9.105,989 2.718,990 6.038,991 7.423,993 10.871,994 5.878,995 8.878,996 0.468,997 10.869,998 1.991,999 6.581,1000 8.274,1002 12.752,1003 6.386,1004 10.302,1005 -0.288,1006 12.669,1007 1.177,1008 8.023,1009 10.135,1011 15.44,1012 7.795,1013 11.752,1014 -0.413,1015 14.496,1016 -0.674,1017 8.923,1018 11.371,1020 17.672,1021 8.66,1022 13.221,1023 -0.728,1024 16.344,1025 -1.055,1026 10.19,1027 13.031,1029 20.211,1030 9.893,1031 3.347,1032 -0.876,1033 18.206,1034 -2,1035 11.251,1036 14.44,1038 22.59,1039 10.917,1040 2.989,1041 12.1,1042 20.081,1043 -2.119,1044 12.456,1045 16.023,1047 25.084,1048 12.089,1049 2.546,1050 9.716,1051 21.967,1052 4.748,1053 13.588,1054 17.507,1056 27.524,1057 13.182,1058 2.369,1059 8.473,1060 23.861,1061 4.406,1062 14.777,1063 19.061,1065 30.009,1066 14.335,1067 2.053,1068 7.328,1069 25.762,1070 3.272,1071 15.94,1072 20.577,1074 32.475,1075 15.461,1076 1.741,1077 5.799,1078 27.67,1079 3.18,1080 17.127,1081 22.121,1083 34.96,1084 16.61,1085 1.535,1086 4.817,1087 29.583,1088 2.816,1089 18.306,1090 23.652,1092 37.439,1093 17.751,1094 4956,1095 8299,1096 17.224,1097 26.296,1098 40.999,1099 40.431,1100 42.338,1101 40.548,1102 40.5,1103 56.182,1105 124.515,1106 38.702,1107 5.46,1108 5.382,1109 6.57,1110 5.382,1111 5.347,1112 7.748,1114 19.606,1115 5.22,1116 11.774,1117 1.577,1118 1.555,1119 1.628,1120 1.56,1121 1.558,1122 2.161,1124 4.789,1125 1.489,1126 4.187,1127 4.228,1128 4.164,1129 4.072,1130 6.471,1131 4.088,1132 4.008,1133 4.051,1134 3.978,1135 3.866,1136 5.26,1137 3.891,1138 3.578,1139 3.655,1140 3.445,1141 3.413,1142 4.947,1143 3.404,1144 3.437,1145 3.48,1146 3.372,1147 3.277,1148 4.811,1149 3.295,1150 3.135,1151 3.228,1152 3.032,1153 2.876,1154 4.494,1155 2.909,1156 2.985,1157 3.09,1158 2.868,1159 2.816,1160 4.14,1161 2.815,1162 2.954,1163 3.013,1164 2.829,1165 2.676,1166 3.985,1167 2.714,1168 2.874,1169 3.009,1170 2.499,1171 2.618,1172 3.737,1173 2.57,1174 0.183,1175 0.13,1176 0.271,1177 0.166,1178 0.129,1179 4.771,1180 0.183,1181 3.382,1183 7.042,1184 0.465,1185 4.309,1186 0.124,1187 3.347,1188 4.748,1190 12.1,1191 3.22,1192 1.919,1193 1.9,1194 2.002,1195 2.028,1196 1.148,1197 2.009,1198 1.846,1199 1.808,1200 1.95,1201 2.01,1202 1.126,1203 1.998,1204 1.68,1205 1.615,1206 1.839,1207 1.885,1208 0.961,1209 1.876,1210 1.458,1211 1.397,1212 1.595,1213 1.669,1214 0.625,1215 1.659,1216 1.021,1217 0.979,1218 1.417,1219 1.35,1220 0.469,1221 1.322,1222 1.003,1223 0.929,1224 1.218,1225 1.24,1226 0.246,1227 1.308,1228 0.934,1229 0.804,1230 1.184,1231 1.239,1232 0.15,1233 1.221,1234 0.828,1235 0.75,1236 1.087,1237 1.146,1238 0.04,1239 1.131,1240 3.97,1242 5.342,1243 3.045,1244 6.903,1245 5.476,1246 8.554,1247 7.662,1248 10.254,1250 4.079,1254 6.068,1255 9.629,1260 0.147,1267 25.477,1268 62.621,1269 156.115,1270 178.621,1271 186.621,1272 186.621,1273 186.621,1274 31.186,1275 7.5,1276 105.64,1277 105.64,1278 22,1279 12.746,1280 4.392,1281 3.459,1282 31.647,1283 67,1284 72,1285 0.236,1286 156.017,1287 245.99,1288 372.442,1289 16600,1291 16.137,1292 0.702,1293 0.556,1294 16.137,1295 12.778,1296 11.042,1297 0.425,1298 0.283,1299 7.241,1300 10.585,1301 7.031,1302 5.859,1303 11.042,1304 7.351,1305 10.627,1306 0.272,1307 0.149,1308 10.627,1309 5.799,1310 9.012,1311 0.164,1312 0.07,1313 9.012,1314 3.867,1315 8.025,1316 0.102,1317 0.035,1318 8.025,1319 2.792,1320 6.688,1321 0.065,1322 0.018,1323 6.688,1324 1.9,1325 0.354,1326 69.379,1327 0.241,1328 21.866,1329 0.703,1330 130,1331 360.375,1332 143.594,1333 357.391,1334 505.68,1335 334,1336 159,1337 399.577,1338 173.65,1339 404.341,1340 597.49,1341 381,1342 6.796}
{0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,118 37.3,119 2,120 4,123 1,124 8,126 1,138 6,139 1,140 4,142 1,143 1,144 1,152 1,163 5,166 3,167 14,170 2,172 2,173 5,176 2,177 9,182 2,184 3,187 3,188 7,195 7,199 5,200 6,203 2,208 6,212 2,213 5,221 1,224 5,225 6,228 1,230 3,236 2,237 6,242 1,245 2,248 2,249 9,252 1,254 1,257 5,260 4089,261 28.093,262 28.093,263 28.093,264 28.093,265 28.093,266 26.004,267 40.814,268 16.851,269 29.056,270 22.201,271 22.201,272 22.201,273 22.201,274 22.201,275 18.876,276 55.107,277 7.968,278 23.635,279 4.862,280 3.028,281 1.661,282 1.106,283 0.943,284 0.943,285 4.448,289 1,290 1652,291 4.243,294 695.423,298 211.342,301 3.243,302 34.55,305 0.75,306 0.5,307 0.67,308 0.9,309 1,310 0.83,311 1,312 0.81,313 89,314 765,315 4.597,316 3.691,317 6.725,318 4.143,319 3.185,320 4.523,321 1.701,322 10.984,323 3.055,324 4.109,325 3.34,326 6.149,327 3.813,328 2.87,329 3.657,330 0.86,331 9.064,332 2.704,333 4.049,334 3.106,335 6.048,336 3.678,337 2.742,338 3.525,339 0.86,340 8.686,341 2.559,342 3.9,343 3.011,344 5.661,345 3.565,346 2.625,347 3.129,348 0.86,349 7.513,350 2.462,351 3.607,352 2.831,353 5.519,354 3.449,355 2.521,356 2.934,357 0.8,358 7.362,359 2.34,360 3.521,361 2.595,362 5.34,363 3.274,364 2.342,365 2.714,366 0.8,367 6.965,368 2.172,369 3.477,370 2.499,371 5.196,372 3.164,373 2.227,374 2.522,375 0.563,376 6.538,377 2.072,378 3.141,379 2.307,380 4.801,381 2.813,382 1.861,383 2.334,384 0.075,385 5.225,386 1.765,387 2.983,388 2.195,389 4.415,390 2.75,391 1.812,392 2.051,394 4.53,395 1.695,396 2.903,397 2.029,398 4.351,399 2.604,400 1.629,401 1.997,403 4.046,404 1.585,405 2.731,406 1.7,407 4.024,408 2.446,409 1.497,410 1.753,411 3.39,412 1.41,413 2.589,414 1.559,415 3.882,416 2.307,417 1.387,418 1.584,419 3.134,420 1.271,421 2.5,422 1.464,423 3.7,424 2.196,425 1.237,426 1.5,427 3.119,428 1.174,429 2.401,430 1.376,431 3.447,432 2.002,433 1.073,434 1.366,435 2.578,436 1,437 2.252,438 1.146,439 3.414,440 2,441 1,442 1.214,443 2.275,444 0.988,445 19.233,446 0.469,447 0.848,448 0.021,449 48,450 1.171,451 20,452 0.488,453 28,454 0.683,455 42.849,456 1.045,457 46.767,458 0.563,459 39.363,460 0.96,461 9.074,462 0.221,463 10.921,464 0.266,465 0.095,467 0.296,471 0.859,472 1.654,473 0.862,474 1.349,475 0.646,476 1.137,477 1.143,478 1.073,479 0.965,480 0.977,481 0.664,482 0.94,483 1.237,484 1.063,485 1.021,486 0.975,487 0.934,488 0.963,489 1.054,490 1.046,491 1.003,492 1.02,493 1.244,494 1.003,495 0.931,496 0.993,497 1.003,498 1.042,499 1.335,500 1.041,501 0.939,502 1.151,503 0.99,504 1.117,505 0.935,506 1.075,507 1.054,508 0.941,509 0.995,510 0.917,511 0.839,512 0.94,513 1.264,514 1.094,515 1.064,516 1.036,517 1.092,518 1.018,519 7.5,520 0.264,521 4,522 2.125,523 2.293,524 1.25,525 0.926,526 0.63,527 0.448,528 0.345,529 33017,530 72394,531 2.105,532 50.6,533 2,534 26,536 1,537 1,539 10,540 2,542 1.801,543 2,544 4.128,545 -0.376,550 125.561,551 1.513,552 3.347,553 4.714,554 5.269,555 5.432,556 5.432,557 3.647,558 4.87,559 5.318,560 4.34,561 3558.6,562 9.376,563 67410.3,568 529.128,569 1.282,570 5.302,571 0.167,572 0.006,573 0.066,574 0.033,575 0.038,576 0.022,577 0.017,578 0.013,579 0.009,580 0.007,581 0.377,582 0.33,583 0.63,584 0.801,585 239.147,586 -0.005,587 -0.347,588 0.084,589 -0.165,590 0.016,591 -0.047,593 0.083,594 0.041,595 0.044,596 0.121,597 0.049,598 -0.077,599 -0.008,600 -0.013,601 0.026,602 -0.003,603 0.019,604 -0.031,605 -0.02,606 -0.011,607 -0.023,608 -0.028,609 -0.015,610 0.082,611 0.019,612 -0.017,613 -0.03,614 -0.033,615 -0.042,616 0.006,617 -0.165,618 -0.012,619 -0.109,620 -0.047,621 -0.072,622 0.064,623 0.046,624 0.017,625 0.029,626 0.065,627 0.017,628 -0.094,629 -0.057,630 -0.052,631 -0.058,632 -0.065,633 -0.048,634 1.779,635 5.911,636 0.683,637 71.748,638 0.998,639 1.136,640 2.92,641 8.526,642 0.633,643 3.829,644 4.127,645 4.382,646 4.635,647 4.89,648 4.956,649 5.13,650 5.252,651 5.375,652 5.464,653 10.427,654 0.596,655 562.79,656 3.829,657 5.361,658 6.201,659 7.066,660 7.923,661 8.794,662 9.661,663 10.537,664 11.41,665 12.29,666 7.2,669 1,672 1,673 2,676 2,680 2,681 7,682 2,686 5,688 17,701 1,703 3,705 83,706 18,707 2,708 45,710 87,711 31,712 14,713 6,714 6,717 5,718 6,720 1,721 2,724 3,727 5,729 15,730 16,733 1,737 1,740 1,747 42,748 10,749 1,750 10,755 6,760 0.8,761 4,774 1,779 5,783 1,800 1,803 4,807 3,811 41,817 12,818 1,819 3,821 1,822 3,833 4.8,836 1,838 3,841 20.5,842 15.583,843 9.139,844 5.374,847 3.332,848 1.377,849 0.964,850 10.415,851 12.159,852 4.016,853 4.543,854 5.077,855 5.637,856 6.214,857 6.493,858 6.88,859 7.216,860 7.519,861 7.579,862 0.923,863 64,864 15.239,865 6.347,866 7.565,867 29.822,868 24.38,869 2.065,870 84.667,874 482.615,875 153.288,876 60.955,878 58.145,881 153.288,882 540.76,883 60.955,884 28.533,885 50.606,886 56.857,887 70.487,888 71.071,889 6.604,890 470.844,892 482.615,893 214.243,894 58.145,897 341.362,898 199.398,900 82.143,901 98.529,902 33.571,904 482.615,905 119.099,906 153.288,909 482.615,910 59.278,911 103.382,912 18.011,913 91.716,914 482.615,915 119.099,916 153.288,918 0.571,919 0.328,920 0.18,921 0.1,922 27,923 12,924 0.115,925 10,926 1,927 1.071,928 5.231,929 395.481,930 0.071,931 28,932 205.66,936 29.679,937 14.388,938 7.936,939 1.721,940 119.099,941 12.966,942 9.132,946 3.743,948 18.011,949 755.002,950 54.5,954 12.911,957 -0.113,960 82.825,961 94.301,962 0.237,963 0.525,964 0.74,965 0.827,966 0.852,967 0.852,968 5.259,969 1.861,970 6.163,971 6.538,972 4.812,973 5.231,974 2.549,975 6.938,976 4.694,977 6.417,978 1.812,979 7.696,980 5.225,981 4.29,982 4.977,983 1.494,984 7.766,985 4.108,986 7.699,987 1.629,988 9.328,989 4.53,990 6.368,991 7.35,992 2.805,993 10.856,994 6.134,995 9.014,996 1.497,997 11.02,998 4.046,999 6.673,1000 7.967,1001 2.523,1002 12.537,1003 6.376,1004 10.367,1005 1.387,1006 12.752,1007 3.39,1008 8.193,1009 9.83,1010 3.483,1011 15.139,1012 7.854,1013 11.744,1014 1.237,1015 14.513,1016 3.134,1017 8.899,1018 10.877,1019 3.619,1020 17.193,1021 8.503,1022 13.142,1023 1.073,1024 16.294,1025 3.119,1026 10.179,1027 12.529,1028 4.385,1029 19.632,1030 9.745,1031 3.185,1032 1,1033 18.092,1034 2.578,1035 11.09,1036 13.8,1037 4.719,1038 21.859,1039 10.606,1040 2.87,1041 10.984,1042 19.903,1043 2.275,1044 12.267,1045 15.361,1046 5.379,1047 24.249,1048 11.748,1049 2.742,1050 9.064,1051 21.724,1052 4.523,1053 13.283,1054 16.747,1055 5.808,1056 26.558,1057 12.72,1058 2.625,1059 8.686,1060 23.555,1061 3.657,1062 14.421,1063 18.27,1064 6.411,1065 28.936,1066 13.822,1067 2.521,1068 7.513,1069 25.394,1070 3.525,1071 15.492,1072 19.716,1073 6.887,1074 31.285,1075 14.852,1076 2.342,1077 7.362,1078 27.239,1079 3.129,1080 16.618,1081 21.225,1082 7.458,1083 33.664,1084 15.943,1085 2.227,1086 6.965,1087 29.091,1088 2.934,1089 17.719,1090 22.701,1091 7.96,1092 36.034,1093 17.005,1094 31085,1095 46350,1096 30.512,1097 52.557,1098 66.4,1099 67.816,1100 67.682,1101 66.189,1102 66.184,1103 80.073,1104 13.04,1105 184.219,1106 62.35,1107 5.597,1108 5.691,1109 6.527,1110 5.225,1111 5.185,1112 7.523,1113 2.972,1114 18.176,1115 5.055,1116 18.625,1117 1.476,1118 1.507,1119 1.504,1120 1.471,1121 1.471,1122 1.779,1123 0.29,1124 4.094,1125 1.386,1126 4.087,1127 4.12,1128 4.057,1129 3.977,1130 7.429,1131 3.992,1132 3.933,1133 3.964,1134 3.876,1135 3.834,1136 5.092,1137 3.838,1138 3.859,1139 3.928,1140 3.725,1141 3.701,1142 4.861,1143 3.696,1144 3.786,1145 3.843,1146 3.695,1147 3.589,1148 4.754,1149 3.606,1150 3.59,1151 3.651,1152 3.478,1153 3.414,1154 4.473,1155 3.406,1156 3.571,1157 3.63,1158 3.419,1159 3.398,1160 4.427,1161 3.393,1162 3.439,1163 3.488,1164 3.317,1165 3.221,1166 4.333,1167 3.25,1168 3.299,1169 3.351,1170 3.216,1171 3.02,1172 4.286,1173 3.065,1174 0.102,1175 0.082,1176 0.149,1177 0.092,1178 0.071,1179 4.597,1180 0.101,1181 3.691,1182 0.038,1183 6.725,1184 0.244,1185 4.143,1186 0.068,1187 3.185,1188 4.523,1189 1.701,1190 10.984,1191 3.055,1192 2.006,1193 1.984,1194 2.072,1195 2.138,1196 1.418,1197 2.118,1198 1.888,1199 1.863,1200 2.058,1201 2.029,1202 1.299,1203 2.043,1204 1.836,1205 1.77,1206 1.999,1207 2.017,1208 1.175,1209 2.011,1210 1.731,1211 1.667,1212 1.921,1213 1.94,1214 1.125,1215 1.938,1216 1.581,1217 1.517,1218 1.863,1219 1.787,1220 1.094,1221 1.813,1222 1.558,1223 1.496,1224 1.828,1225 1.762,1226 1.013,1227 1.785,1228 1.345,1229 1.3,1230 1.59,1231 1.616,1232 0.825,1233 1.6,1234 1.175,1235 1.12,1236 1.513,1237 1.484,1238 0.825,1239 1.456,1240 4.511,1242 5.814,1244 7.314,1246 8.905,1248 10.546,1250 5.633,1256 11.506,1257 2.991,1258 17.52,1260 0.106,1261 6.549,1267 49.47,1268 125.561,1269 277.832,1270 391.296,1271 437.354,1272 450.864,1273 450.864,1274 74.498,1275 8.828,1276 92.29,1277 92.29,1278 30,1279 12.828,1280 4.248,1281 3.392,1282 66.785,1283 251,1284 273,1285 0.125,1286 301.57,1287 527.76,1288 727.591,1289 110217,1291 28.606,1292 0.698,1293 0.597,1294 28.606,1295 24.473,1296 19.996,1297 0.444,1298 0.328,1299 14.497,1300 19.002,1301 14.139,1302 11.709,1303 19.996,1304 14.754,1305 17.611,1306 0.289,1307 0.179,1308 17.611,1309 10.917,1310 14.504,1311 0.184,1312 0.096,1313 14.504,1314 7.568,1315 12.161,1316 0.119,1317 0.053,1318 12.161,1319 5.441,1320 10.068,1321 0.076,1322 0.029,1323 10.068,1324 3.85,1325 0.205,1326 126.469,1327 0.181,1328 37.724,1329 0.32,1330 212,1331 603.501,1332 237.526,1333 565.996,1334 780.93,1335 536,1336 246,1337 578.93,1338 272.114,1339 578.441,1340 848.02,1341 544,1342 5}
{0 CHEMBL1276179,1 1.574,2 12.675,3 4.72,4 22.277,5 149.375,6 8.353,7 0.681,8 4.314,9 4.432,10 3.997,11 3.887,12 5.46,13 3.893,14 4.866,15 5.027,16 4.419,17 4.331,18 5.965,19 4.331,20 5.108,21 5.301,22 4.469,23 4.472,24 6.18,25 4.437,26 5.179,27 5.386,28 4.55,29 4.499,30 6.392,31 4.459,32 5.217,33 5.433,34 4.579,35 4.494,36 6.405,37 4.478,38 5.176,39 5.367,40 4.62,41 4.474,42 6.481,43 4.479,44 5.101,45 5.285,46 4.434,47 4.445,48 6.321,49 4.409,50 5.097,51 5.302,52 4.412,53 4.383,54 6.281,55 4.345,56 0.117,57 1.199,58 10.299,59 5.331,60 10.644,61 6.309,62 0.3,63 2.01,64 21.105,65 8.829,66 25.027,67 10.672,68 0.482,69 2.465,70 30.376,71 12.38,72 43.187,73 15.197,74 0.789,75 2.775,76 34.988,77 14.026,78 86.176,79 18.305,80 0.733,81 2.84,82 37.764,83 13.868,84 87.258,85 17.182,86 0.901,87 2.976,88 34.261,89 13.063,90 100.444,91 14.571,92 0.739,93 2.6,94 30.781,95 12.714,96 78.928,97 14.431,98 0.387,99 2.469,100 31.227,101 12.857,102 44.391,103 16.074,104 10,105 71,106 0.244,107 0.609,108 0.782,109 0.86,110 0.866,111 0.866,112 3.718,113 0.845,114 -5.26,115 -5.15,116 -4.82,118 46.9,120 1,123 1,124 2,126 2,138 8,139 5,140 3,141 4,142 1,148 2,154 1,159 1,161 1,163 7,166 1,167 14,172 2,173 12,176 2,177 11,182 2,184 6,188 16,193 2,195 11,199 1,200 10,208 9,212 5,213 8,216 3,218 1,221 14,224 2,225 5,230 2,233 8,236 1,237 7,242 2,245 11,248 2,249 5,252 1,257 2,260 3064,261 27.739,262 27.739,263 27.739,264 27.739,265 27.739,266 24.066,267 18.524,268 15.912,269 28.327,270 23.262,271 23.262,272 23.262,273 23.262,274 23.262,275 17.733,276 32.667,277 7.564,278 24.261,279 4.426,280 2.079,281 0.961,282 0.461,283 0.418,284 0.418,285 4.452,289 1,290 1178,291 2.915,293 350.09,294 533.751,297 290.278,301 2.058,302 45.347,305 0.75,306 0.67,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.75,313 87,314 507,315 4.826,316 3.51,317 7.16,318 4.385,319 3.415,320 4.794,321 0.8,322 12.581,323 3.318,324 4.55,325 3.409,326 6.838,327 4.185,328 3.23,329 4.43,330 0.8,331 11.311,332 3.089,333 4.393,334 3.286,335 6.62,336 4.063,337 3.1,338 4.135,340 10.653,341 2.971,342 4.193,343 2.954,344 6.426,345 3.886,346 2.911,347 3.641,349 9.88,350 2.835,351 3.995,352 2.769,353 6.076,354 3.59,355 2.628,356 3.336,358 8.671,359 2.524,360 3.735,361 2.62,362 5.908,363 3.401,364 2.447,365 3.109,367 8.133,368 2.341,369 3.54,370 2.592,371 5.659,372 3.177,373 2.22,374 2.79,376 7.281,377 2.114,378 3.236,379 2.302,380 5.176,381 2.807,382 1.879,383 2.565,385 5.901,386 1.773,387 3.232,388 1.921,389 4.99,390 2.787,391 1.842,392 2.481,394 5.239,395 1.678,396 3.161,397 1.798,398 4.879,399 2.687,400 1.738,401 2.424,403 5.225,404 1.648,405 3.048,406 1.721,407 4.607,408 2.586,409 1.634,410 2.321,411 4.457,412 1.548,413 2.924,414 1.581,415 4.403,416 2.535,417 1.548,418 2.118,419 4.071,420 1.527,421 2.857,422 1.548,423 4.287,424 2.39,425 1.437,426 1.903,427 3.732,428 1.367,429 2.56,430 1.438,431 4.076,432 2.35,433 1.397,434 1.588,435 3.473,436 1.327,437 2.5,438 1.12,439 3.865,440 2.042,441 1.084,442 1.5,443 2.822,444 1.034,445 18.771,446 0.469,447 1.038,448 0.026,449 56.25,450 1.406,451 28.5,452 0.713,453 27.75,454 0.694,455 35.865,456 0.897,457 40.629,458 0.635,459 48.669,460 1.217,461 11.027,462 0.276,463 8.537,464 0.213,465 0.057,467 0.437,470 2,471 0.594,472 1.054,473 0.633,474 0.964,475 0.495,476 0.843,477 0.827,478 1.017,479 0.776,480 0.874,481 0.56,482 0.812,483 0.948,484 1.014,485 0.969,486 0.997,487 0.821,488 0.985,489 0.617,490 0.968,491 0.755,492 1.01,493 0.672,494 0.942,495 1.153,496 1.087,497 0.846,498 0.874,499 1.182,500 0.808,501 1.538,502 1.184,503 0.996,504 0.913,505 1.803,506 0.859,507 1.405,508 1.116,509 1.197,510 1.065,511 1.658,512 1.089,513 0.968,514 1.263,515 0.926,516 1.19,517 0.921,518 1.086,519 6.5,520 0.31,521 4.889,522 3.451,523 2.739,524 1.747,525 1.355,526 0.817,527 0.491,528 0.377,529 26811,530 67619,531 2.256,532 37.5,534 17,536 4,537 1,540 2,542 1.805,543 2.143,544 3.541,545 -0.367,550 100.754,551 1.574,552 3.921,553 5.039,554 5.539,555 5.582,556 5.582,557 3.046,558 4.953,559 5.291,560 3.775,561 2944.6,562 9.372,563 47533.2,568 384,569 1.305,570 5.269,571 0.138,572 0.007,573 0.069,574 0.048,575 0.036,576 0.022,577 0.017,578 0.012,579 0.008,580 0.007,581 0.364,582 0.17,583 0.75,584 0.413,585 220.589,586 0.025,587 -0.081,588 0.069,589 -0.034,590 -0.004,591 0.01,592 -0.095,593 -0.058,594 0.026,595 0.044,596 0.01,597 0.065,598 -0.091,599 -0.043,600 -0.07,601 -0.031,602 -0.023,603 -0.039,604 0.282,605 -0.004,606 0.198,607 -0.009,608 0.244,609 0.053,610 -0.017,611 -0.025,612 0.152,613 0.11,614 0.006,615 0.159,616 -0.03,617 0.094,618 -0.009,619 0.064,620 -0.117,621 0.036,622 -0.131,623 0.071,624 -0.258,625 -0.063,626 -0.222,627 -0.161,628 -0.019,629 -0.276,630 0.028,631 -0.197,632 0.054,633 -0.104,634 2.293,635 7.858,636 0.925,637 44.48,638 1.012,639 1.131,640 4.033,641 16.267,642 0.7,643 3.871,644 4.277,645 4.673,646 5.063,647 5.338,648 5.545,649 5.775,650 6.026,651 6.19,652 6.38,653 7.457,654 0.682,655 534.62,656 3.871,657 5.468,658 6.382,659 7.315,660 8.245,661 9.185,662 10.122,663 11.065,664 12.005,665 12.95,666 12.5,669 1,672 1,674 2,676 4,680 3,681 12,682 4,683 1,686 9,688 32,701 1,704 2,705 64,706 32,707 2,708 47,710 71,711 30,712 24,713 7,714 5,717 8,718 11,724 3,727 3,729 24,730 6,745 2,747 24,748 8,749 1,750 10,755 8,760 0.625,771 2,773 1,774 1,776 2,778 4,779 5,782 2,800 1,803 5,807 1,809 2,811 40,817 3,821 2,822 2,832 2,841 18.667,842 12.102,843 8.389,844 3.892,847 5.345,848 1.555,849 1.088,850 5.281,851 14.976,852 4.159,853 4.856,854 5.565,855 6.277,856 6.887,857 7.39,858 7.976,859 8.563,860 9.026,861 9.555,862 1,863 72,864 14.936,865 6.864,866 7.742,867 28.439,868 25.067,869 2.242,870 89.667,874 270.735,875 172.829,876 90.973,879 29.92,881 172.829,882 270.735,883 120.893,884 8.396,885 6.746,886 75.81,887 115.697,888 99.336,889 34.821,890 223.651,892 270.735,893 263.802,894 29.92,897 277.113,898 23.542,900 68.359,901 128.546,902 66.897,904 300.656,905 90.973,906 172.829,909 270.735,910 52.433,911 127.809,912 16.663,913 96.817,914 270.735,915 120.893,916 172.829,918 0.597,919 0.37,920 0.22,921 0.119,922 41,923 17,924 0.056,925 4,926 4,927 1.189,928 4.833,929 465.54,930 0.216,931 36,932 200.877,936 23.684,937 8.919,938 3.62,939 2.246,940 103.066,941 20.788,942 17.904,943 3.009,946 2.534,948 16.663,949 564.457,950 63,960 64.792,961 72.403,962 0.262,963 0.653,964 0.84,965 0.923,966 0.93,967 0.93,968 5.438,969 1.879,970 6.395,971 7.281,972 4.963,973 5.545,974 1.072,975 7.307,976 4.881,977 6.676,978 1.842,979 8.01,980 5.901,981 4.635,982 5.427,983 0.57,984 8.366,985 4.503,986 8.014,987 1.738,988 9.726,989 5.239,990 6.648,991 7.85,992 0.653,993 11.553,994 6.496,995 9.393,996 1.634,997 11.502,998 5.225,999 7.179,1000 8.616,1001 0.479,1002 13.46,1003 6.982,1004 10.807,1005 1.548,1006 13.317,1007 4.457,1008 8.655,1009 10.494,1010 0.432,1011 16.164,1012 8.436,1013 12.247,1014 1.437,1015 15.158,1016 4.071,1017 9.562,1018 11.673,1019 0.346,1020 18.408,1021 9.302,1022 13.708,1023 1.397,1024 17.018,1025 3.732,1026 10.844,1027 13.337,1028 0.291,1029 20.959,1030 10.558,1031 3.415,1032 1.084,1033 18.893,1034 3.473,1035 11.913,1036 14.709,1037 0.237,1038 23.343,1039 11.589,1040 3.23,1041 12.581,1042 20.779,1043 2.822,1044 13.127,1045 16.289,1046 0.195,1047 25.848,1048 12.774,1049 3.1,1050 11.311,1051 22.673,1052 4.794,1053 14.265,1054 17.751,1055 0.158,1056 28.294,1057 13.877,1058 2.911,1059 10.653,1060 24.575,1061 4.43,1062 15.459,1063 19.301,1064 0.129,1065 30.79,1066 15.041,1067 2.628,1068 9.88,1069 26.484,1070 4.135,1071 16.627,1072 20.805,1073 0.104,1074 33.266,1075 16.176,1076 2.447,1077 8.671,1078 28.397,1079 3.641,1080 17.818,1081 22.346,1082 0.084,1083 35.764,1084 17.337,1085 2.22,1086 8.133,1087 30.315,1088 3.336,1089 19.001,1090 23.871,1091 0.068,1092 38.257,1093 18.489,1094 23630,1095 37790,1096 32.539,1097 44.773,1098 74.025,1099 74.087,1100 75.238,1101 73.505,1102 73.386,1103 97.735,1104 3.2,1105 227.583,1106 70.246,1107 5.826,1108 5.51,1109 6.962,1110 5.457,1111 5.415,1112 7.794,1113 1.2,1114 20.387,1115 5.318,1116 14.726,1117 1.575,1118 1.576,1119 1.601,1120 1.564,1121 1.561,1122 2.079,1123 0.068,1124 4.842,1125 1.495,1126 4.21,1127 4.25,1128 4.192,1129 4.095,1130 8.21,1131 4.112,1132 4.045,1133 4.089,1134 4.008,1135 3.93,1136 8.191,1137 3.943,1138 3.989,1139 4.047,1140 3.93,1141 3.834,1142 5.159,1143 3.85,1144 3.849,1145 3.886,1146 3.794,1147 3.746,1148 5.041,1149 3.751,1150 3.748,1151 3.792,1152 3.697,1153 3.61,1154 4.871,1155 3.626,1156 3.376,1157 3.439,1158 3.303,1159 3.227,1160 4.58,1161 3.238,1162 3.267,1163 3.332,1164 3.18,1165 3.131,1166 4.419,1167 3.135,1168 3.2,1169 3.295,1170 3.037,1171 2.957,1172 4.341,1173 2.955,1174 0.103,1175 0.075,1176 0.152,1177 0.093,1178 0.073,1179 4.826,1180 0.102,1181 3.51,1182 0.017,1183 7.16,1184 0.268,1185 4.385,1186 0.071,1187 3.415,1188 4.794,1189 0.8,1190 12.581,1191 3.318,1192 1.996,1193 1.975,1194 2.054,1195 2.112,1196 1.24,1197 2.088,1198 1.941,1199 1.917,1200 2.003,1201 2.033,1202 1.215,1203 2.031,1204 1.826,1205 1.793,1206 1.93,1207 1.953,1208 1.187,1209 1.946,1210 1.73,1211 1.68,1212 1.863,1213 1.921,1214 1.088,1215 1.91,1216 1.594,1217 1.527,1218 1.782,1219 1.799,1220 0.987,1221 1.793,1222 1.509,1223 1.451,1224 1.726,1225 1.669,1226 0.837,1227 1.697,1228 1.352,1229 1.293,1230 1.497,1231 1.643,1232 0.638,1233 1.597,1234 1.196,1235 1.137,1236 1.472,1237 1.426,1238 0.514,1239 1.449,1240 4.554,1242 5.938,1243 3.714,1244 7.521,1245 6.107,1246 9.199,1247 8.233,1248 10.928,1250 2.104,1252 31.715,1256 2.692,1260 0.693,1261 4.442,1267 43.679,1268 100.754,1269 250.927,1270 322.49,1271 354.49,1272 357.245,1273 357.245,1274 70.633,1275 9.631,1276 78.24,1277 78.24,1278 44,1279 13.443,1280 5.044,1281 4.087,1282 48.355,1283 177,1284 215,1285 0.131,1286 255.161,1287 426.46,1288 614.352,1289 234897,1290 3.1,1291 26.957,1292 0.674,1293 0.54,1294 25.217,1295 21.591,1296 19.564,1297 0.416,1298 0.282,1299 13.023,1300 18.714,1301 12.795,1302 10.468,1303 18.742,1304 13.235,1305 18.379,1306 0.259,1307 0.149,1308 17.29,1309 10.581,1310 16.866,1311 0.159,1312 0.079,1313 16.13,1314 8.355,1315 15.733,1316 0.1,1317 0.041,1318 14.722,1319 6.433,1320 12.847,1321 0.062,1322 0.021,1323 12.257,1324 4.374,1325 0.203,1326 123.165,1327 0.175,1328 35.145,1329 0.373,1330 236,1331 724.071,1332 259.565,1333 659.087,1334 920.2,1335 620,1336 295,1337 706.495,1338 321.412,1339 703.735,1340 1049.32,1341 665,1342 6.609}
{0 CHEMBL1287853,1 1.604,2 16.351,3 5.318,4 28.281,5 147.876,6 7.188,7 0.45,8 4.371,9 4.497,10 4.019,11 3.889,12 5.369,13 3.842,14 4.938,15 5.128,16 4.328,17 4.271,18 6.08,19 4.207,20 5.195,21 5.411,22 4.346,23 4.419,24 6.197,25 4.302,26 5.303,27 5.572,28 4.288,29 4.382,30 6.295,31 4.254,32 5.17,33 5.392,34 4.201,35 4.294,36 6.317,37 4.214,38 5.038,39 5.252,40 4.156,41 4.306,42 6.029,43 4.205,44 5.106,45 5.353,46 4.197,47 4.337,48 6.073,49 4.205,50 5.076,51 5.315,52 4.098,53 4.27,54 6.039,55 4.136,56 0.096,57 1.121,58 19.611,59 6.83,60 18.6,61 9.228,62 0.49,63 1.759,64 33.291,65 11.432,66 69.127,67 15.683,68 0.453,69 2.131,70 45.659,71 14.336,72 62.867,73 19.753,74 0.609,75 2.129,76 58.518,77 16.676,78 88.167,79 22.658,80 0.859,81 1.86,82 44.316,83 13.074,84 119.388,85 17.925,86 0.37,87 1.832,88 35.993,89 12.133,90 53.078,91 17.495,92 0.467,93 1.916,94 39.463,95 13.852,96 57.019,97 19.972,98 0.319,99 1.843,100 41.493,101 13.165,102 49.703,103 18.833,104 40,105 57,106 0.249,107 0.563,108 0.739,109 0.802,110 0.808,111 0.808,112 3.641,113 1.052,114 -4.36,115 -4.3,116 -4.05,118 37,119 4,120 2,124 4,128 1,138 8,139 1,140 4,141 1,143 1,146 1,163 6,166 2,167 6,170 5,172 8,173 8,176 1,177 8,182 6,184 3,188 14,191 1,192 1,193 3,195 2,200 11,203 3,204 1,205 2,208 9,213 5,218 4,221 7,224 4,225 3,228 1,230 7,233 12,237 3,240 1,242 2,245 10,248 2,249 4,252 4,253 1,257 9,260 2967,261 24.159,262 24.159,263 24.159,264 24.159,265 24.159,266 21.673,267 38.907,268 14.205,269 24.832,270 19.81,271 19.81,272 19.81,273 19.81,274 19.81,275 16.019,276 60.338,277 6.843,278 20.944,279 4.586,280 2.559,281 1.429,282 1.025,283 0.987,284 0.987,285 4.33,289 1,290 1286,291 4.69,293 129.463,294 413.698,301 2.793,302 37.72,305 0.75,306 0.5,307 0.67,308 0.9,309 1,310 0.67,311 0.5,312 0.71,313 80,314 605,315 4.875,316 4.691,317 7.355,318 4.393,319 3.462,320 4.71,321 0.86,322 12.764,323 3.215,324 4.278,325 3.18,326 6.348,327 3.927,328 2.968,329 3.92,330 0.8,331 9.713,332 2.825,333 4.053,334 3.08,335 6.116,336 3.85,337 2.905,338 3.635,339 0.4,340 8.997,341 2.743,342 4.028,343 2.946,344 5.584,345 3.632,346 2.674,347 3.424,348 0.4,349 7.669,350 2.563,351 3.829,352 2.827,353 5.38,354 3.469,355 2.541,356 3.019,358 7.068,359 2.356,360 3.611,361 2.666,362 5.354,363 3.387,364 2.427,365 2.921,367 6.985,368 2.339,369 3.53,370 2.481,371 5.274,372 3.225,373 2.282,374 2.599,376 6.721,377 2.133,378 3.302,379 2.094,380 4.901,381 2.867,382 1.93,383 2.526,385 5.645,386 1.799,387 3.055,388 1.746,389 4.679,390 2.6,391 1.625,392 2.249,394 4.64,395 1.581,396 2.795,397 1.615,398 4.159,399 2.38,400 1.414,401 1.915,403 3.671,404 1.361,405 2.61,406 1.465,407 3.609,408 2.301,409 1.353,410 1.654,411 3.011,412 1.278,413 2.5,414 1.208,415 3.514,416 2.108,417 1.114,418 1.5,419 2.545,420 1.105,421 2.449,422 1.176,423 3.414,424 2,425 1,426 1.448,427 2.275,428 1,429 1.996,430 1,431 3.281,432 1.865,433 0.942,434 0.978,435 2.074,436 0.861,437 1.628,438 0.744,439 3.222,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 17.733,446 0.479,447 1.187,448 0.032,449 46.5,450 1.257,451 22.5,452 0.608,453 24,454 0.649,455 36.06,456 0.975,457 41.667,458 0.571,459 38.172,460 1.032,461 8.57,462 0.232,463 9.001,464 0.243,465 0.15,466 0.075,467 0.22,471 0.719,472 1.52,473 0.881,474 1.309,475 0.729,476 1.07,477 0.79,478 1.115,479 0.851,480 0.985,481 0.506,482 0.939,483 1.222,484 1.245,485 1.186,486 1.163,487 0.945,488 1.153,489 1.121,490 0.95,491 1.18,492 1.079,493 1.11,494 0.835,495 1.818,496 0.874,497 1.063,498 0.797,499 2.326,500 0.883,501 1.125,502 1.135,503 0.958,504 0.987,505 0.964,506 1.074,507 0.508,508 1.033,509 0.805,510 0.961,511 0.459,512 1.012,513 0.81,514 1.214,515 1.129,516 1.266,517 0.742,518 1.167,519 10.5,520 0.301,521 3.556,522 2.66,523 1.801,524 1.08,525 0.94,526 0.66,527 0.432,528 0.325,529 24047,530 57016,531 2.026,532 49.3,533 3,534 16,536 1,537 3,539 13,542 1.776,543 1.881,544 3.948,545 0.809,550 117.093,551 1.604,552 3.63,553 4.761,554 5.165,555 5.203,556 5.203,557 3.422,558 4.757,559 5.176,560 4.193,561 2792.67,562 9.083,563 48931,568 451.857,569 1.595,570 5.121,571 0.262,572 0.008,573 0.062,574 0.051,575 0.035,576 0.022,577 0.02,578 0.014,579 0.01,580 0.009,581 0.493,582 0.17,583 0.63,584 0.989,585 209.085,586 0.058,587 -0.223,588 0.187,589 -0.097,590 -0.15,592 0.243,593 0.031,594 0.122,595 0.041,596 0.343,597 0.055,598 -0.14,599 -0.145,600 -0.125,601 -0.124,602 -0.057,603 -0.174,604 -0.014,605 0.021,606 0.056,607 0.021,608 0.093,609 0.154,610 -0.192,611 0.098,612 -0.094,613 0.122,614 -0.238,615 0.048,616 -0.171,617 -0.069,618 -0.098,619 -0.031,620 -0.155,621 -0.082,622 0.187,623 -0.006,624 0.083,625 0.011,626 0.127,627 -0.004,628 -0.015,629 -0.164,630 -0.103,631 -0.217,632 0.012,633 -0.156,634 4.57,635 5.733,636 0.622,637 54.171,638 0.999,639 1.134,640 3.134,641 9.82,642 0.65,643 3.714,644 4.06,645 4.205,646 4.443,647 4.575,648 4.585,649 4.745,650 4.836,651 4.963,652 5.037,653 9.572,654 0.608,655 524.76,656 3.714,657 5.273,658 6.089,659 6.971,660 7.801,661 8.682,662 9.52,663 10.401,664 11.244,665 12.124,666 8.2,668 1,669 1,674 2,676 2,681 9,682 2,686 7,688 18,699 2,703 1,705 73,706 20,707 2,708 40,710 76,711 27,712 16,713 4,714 8,717 4,718 4,721 4,724 2,727 2,729 16,730 11,731 1,733 2,736 1,737 2,747 36,748 9,749 3,750 10,751 1,755 6,760 1,761 3,774 1,776 1,778 1,779 3,800 1,803 4,805 1,807 4,811 37,815 1,817 6,818 3,819 1,822 1,823 1,833 4.1,836 2,838 1,841 19.667,842 14.017,843 7.861,844 4.35,847 3.545,848 1.437,849 0.964,850 8.705,851 11.661,852 3.951,853 4.549,854 4.968,855 5.486,856 5.979,857 6.102,858 6.499,859 6.833,860 7.231,861 7.58,862 0.909,863 52,864 13.95,865 6.082,866 7.712,867 26.502,868 21.758,869 2.212,870 81.833,874 388.446,875 161.664,876 89.122,878 55.313,880 5.807,881 155.857,882 443.759,883 89.122,884 35.301,885 15.979,886 98.022,887 89.655,888 74.686,889 4.227,890 376.675,892 388.446,893 244.979,894 55.313,895 5.807,897 235.422,898 208.337,900 117.777,901 93.631,902 39.378,904 388.446,905 144.435,906 161.664,908 5.807,909 388.446,910 35.699,911 123.283,912 52.426,913 88.884,914 388.446,915 144.435,916 161.664,918 0.591,919 0.311,920 0.164,921 0.083,922 26,923 12,924 0.145,925 11,927 1,928 4.817,929 337.331,931 23,932 175.995,935 1,936 27.337,937 11.782,938 8.141,940 144.435,941 16.084,942 8.979,946 4.288,948 52.426,949 694.546,950 51,953 -3.654,954 25.467,960 72.923,961 82.766,962 0.259,963 0.587,964 0.769,965 0.834,966 0.841,967 0.841,968 5.212,969 1.93,970 6.125,971 6.721,972 4.745,973 5.236,974 1.406,975 6.946,976 4.636,977 6.444,978 1.625,979 7.698,980 5.645,981 4.575,982 5.286,983 0.325,984 8.148,985 4.397,986 7.784,987 1.414,988 9.383,989 4.64,990 6.428,991 7.476,992 0.977,993 11.101,994 6.196,995 9.161,996 1.353,997 11.138,998 3.671,999 7.022,1000 8.306,1001 0.268,1002 13.112,1003 6.712,1004 10.572,1005 1.114,1006 12.94,1007 3.011,1008 8.424,1009 10.069,1010 0.74,1011 15.723,1012 8.06,1013 12.008,1014 1,1015 14.777,1016 2.545,1017 9.347,1018 11.257,1019 0.188,1020 18.053,1021 8.901,1022 13.463,1023 0.942,1024 16.64,1025 2.275,1026 10.598,1027 12.868,1028 0.571,1029 20.591,1030 10.093,1031 3.462,1032 0.618,1033 18.525,1034 2.074,1035 11.672,1036 14.232,1037 0.125,1038 23.047,1039 11.084,1040 2.968,1041 12.764,1042 20.428,1043 1.372,1044 12.878,1045 15.788,1046 0.439,1047 25.577,1048 12.224,1049 2.905,1050 9.713,1051 22.346,1052 4.71,1053 14.025,1054 17.241,1055 0.082,1056 28.084,1057 13.288,1058 2.674,1059 8.997,1060 24.277,1061 3.92,1062 15.225,1063 18.78,1064 0.334,1065 30.617,1066 14.416,1067 2.541,1068 7.669,1069 26.219,1070 3.635,1071 16.408,1072 20.277,1073 0.054,1074 33.145,1075 15.518,1076 2.427,1077 7.068,1078 28.169,1079 3.424,1080 17.614,1081 21.814,1082 0.252,1083 35.684,1084 16.648,1085 2.282,1086 6.985,1087 30.127,1088 3.019,1089 18.818,1090 23.334,1091 0.035,1092 38.221,1093 17.771,1094 23005,1095 35731,1096 26.118,1097 47.466,1098 59.697,1099 60.566,1100 59.67,1101 59.577,1102 59.554,1103 75.473,1104 4.92,1105 172.829,1106 56.49,1107 5.834,1108 6.691,1109 7.013,1110 5.484,1111 5.462,1112 7.71,1113 1.72,1114 20.441,1115 5.215,1116 20.779,1117 1.492,1118 1.514,1119 1.492,1120 1.489,1121 1.489,1122 1.887,1123 0.123,1124 4.321,1125 1.412,1126 4.095,1127 4.093,1128 4.737,1129 4.071,1130 7.717,1131 3.99,1132 3.952,1133 3.981,1134 3.925,1135 3.844,1136 6.999,1137 3.846,1138 3.856,1139 3.921,1140 3.803,1141 3.706,1142 5.025,1143 3.71,1144 3.819,1145 3.86,1146 3.714,1147 3.678,1148 4.832,1149 3.675,1150 3.721,1151 3.775,1152 3.664,1153 3.604,1154 4.699,1155 3.591,1156 3.509,1157 3.502,1158 3.491,1159 3.414,1160 4.406,1161 3.344,1162 3.405,1163 3.466,1164 3.252,1165 3.207,1166 4.367,1167 3.205,1168 3.19,1169 3.278,1170 3.055,1171 2.976,1172 4.255,1173 2.989,1174 0.122,1175 0.117,1176 0.184,1177 0.11,1178 0.087,1179 4.875,1180 0.118,1181 4.691,1182 0.022,1183 7.355,1184 0.319,1185 4.393,1186 0.08,1187 3.462,1188 4.71,1189 0.86,1190 12.764,1191 3.215,1192 1.972,1193 1.975,1194 2.011,1195 2.071,1196 1.224,1197 2.091,1198 1.892,1199 1.865,1200 1.989,1201 2.016,1202 1.211,1203 2.017,1204 1.774,1205 1.735,1206 1.955,1207 1.937,1208 1.152,1209 1.942,1210 1.71,1211 1.656,1212 1.868,1213 1.868,1214 1.108,1215 1.881,1216 1.59,1217 1.516,1218 1.86,1219 1.821,1220 1.058,1221 1.828,1222 1.577,1223 1.507,1224 1.824,1225 1.751,1226 0.954,1227 1.793,1228 1.358,1229 1.384,1230 1.511,1231 1.52,1232 0.787,1233 1.57,1234 1.206,1235 1.136,1236 1.423,1237 1.475,1238 0.553,1239 1.485,1240 4.394,1242 5.733,1243 2.398,1244 7.236,1245 4.443,1246 8.815,1247 6.26,1248 10.435,1250 7.312,1256 6.521,1257 9.113,1258 5.877,1261 2.425,1262 -0.579,1267 44.362,1268 117.093,1269 265.024,1270 347.553,1271 377.063,1272 379.818,1273 379.818,1274 82.179,1275 8.116,1276 108.48,1277 116.86,1278 23,1279 12.668,1280 4.392,1281 3.585,1282 65.257,1283 211,1284 223,1285 0.146,1286 277.729,1287 480.64,1288 669.419,1289 46497,1291 26.468,1292 0.715,1293 0.614,1294 26.718,1295 22.73,1296 17.571,1297 0.439,1298 0.351,1299 12.501,1300 16.151,1301 11.917,1302 9.999,1303 18.393,1304 14.027,1305 17.312,1306 0.304,1307 0.21,1308 18.598,1309 11.963,1310 12.314,1311 0.187,1312 0.115,1313 13.49,1314 7.56,1315 10.431,1316 0.124,1317 0.065,1318 11.676,1319 5.495,1320 7.585,1321 0.079,1322 0.033,1323 8.295,1324 3.138,1325 0.239,1326 118.193,1327 0.196,1328 34.67,1329 0.374,1330 194,1331 540.001,1332 250.97,1333 544.362,1334 743.53,1335 504,1336 220,1337 527.459,1338 286.601,1339 572.29,1340 826.19,1341 533,1342 6.921}
{0 CHEMBL1289926,1 1.585,2 12.286,3 4.493,4 20.186,5 114.788,6 8.402,7 0.71,8 3.933,9 4.041,10 3.653,11 3.596,12 5.11,13 3.55,14 4.385,15 4.525,16 4.009,17 3.968,18 5.533,19 3.895,20 4.58,21 4.752,22 4.064,23 4.071,24 5.68,25 3.961,26 4.574,27 4.747,28 4.008,29 3.986,30 5.713,31 3.882,32 4.522,33 4.712,34 3.866,35 3.941,36 5.584,37 3.83,38 4.549,39 4.75,40 3.804,41 3.926,42 5.609,43 3.818,44 4.533,45 4.753,46 3.746,47 3.841,48 5.597,49 3.752,50 4.411,51 4.634,52 3.583,53 3.705,54 5.489,55 3.601,56 0.044,57 0.663,58 7.861,59 3.899,60 7.206,61 4.667,62 0.109,63 1.04,64 14.352,65 6.503,66 16.07,67 7.766,68 0.116,69 1.248,70 23.017,71 9.306,72 23.968,73 10.629,74 0.237,75 1.254,76 24.376,77 8.717,78 35.504,79 9.532,80 0.169,81 1.163,82 21.084,83 8.362,84 26.663,85 10.076,86 0.138,87 1.195,88 22.736,89 8.907,90 26.506,91 10.807,92 0.162,93 1.168,94 20.446,95 7.871,96 30.645,97 9.879,98 0.226,99 1.051,100 18.187,101 6.853,102 31.972,103 8.636,104 7,105 42,106 0.266,107 0.591,108 0.757,109 0.886,110 0.91,111 0.91,112 3.374,113 0.931,114 -4.38,115 -4.31,116 -4.07,118 47.8,123 1,132 2,138 10,139 2,140 2,141 1,142 2,148 1,151 1,161 1,163 9,167 6,170 1,172 3,173 14,177 5,182 4,184 10,188 6,193 4,195 11,200 2,203 1,205 3,208 10,212 1,213 6,218 3,221 9,225 6,230 4,233 8,236 1,237 3,240 1,242 3,245 6,249 1,252 1,253 1,254 1,257 7,260 1178,261 19.438,262 19.438,263 19.438,264 19.438,265 19.438,266 16.609,267 7.851,268 11.647,269 19.808,270 15.264,271 15.264,272 15.264,273 15.264,274 15.264,275 10.964,276 5.913,277 5.468,278 15.815,279 3.938,280 2.002,281 1.016,282 0.25,283 0.103,284 0.103,285 4.076,288 1,289 1,290 746,291 3.24,293 63.273,294 256.996,297 111.673,301 2.265,302 17.309,305 1,306 1,307 1,308 0.6,310 1,311 1,312 0.8,313 59,314 344,315 4.558,316 4.574,317 6.542,318 4.073,319 3.099,320 4.514,321 2.95,322 10.339,323 3.022,324 4.339,325 3.57,326 6.453,327 3.958,328 2.983,329 3.946,330 1.058,331 9.959,332 2.909,333 3.95,334 3.158,335 5.473,336 3.497,337 2.529,338 3.516,340 7.261,341 2.446,342 3.75,343 2.951,344 5.34,345 3.322,346 2.391,347 3.191,349 6.948,350 2.203,351 3.413,352 2.514,353 5.075,354 2.987,355 2.009,356 2.665,358 5.806,359 1.949,360 3.249,361 1.95,362 4.823,363 2.759,364 1.796,365 2.538,367 5.113,368 1.717,369 3.003,370 1.832,371 4.209,372 2.495,373 1.508,374 2.214,376 3.78,377 1.488,378 2.901,379 1.509,380 3.877,381 2.422,382 1.451,383 2.071,385 3.193,386 1.397,387 2.805,388 1.441,389 3.634,390 2.324,391 1.348,392 1.936,394 3.112,395 1.309,396 2.578,397 1.318,398 3.574,399 2.115,400 1.127,401 1.571,403 2.6,404 1.109,405 2.5,406 1.087,407 3.271,408 1.959,409 1,410 1.5,411 2.136,412 0.956,413 2.379,414 1,415 3.247,416 1.761,417 0.775,418 1.189,419 1.809,420 0.763,421 2.025,422 0.825,423 3.073,424 1.439,425 0.47,426 0.712,427 1.123,428 0.452,429 1.491,430 0.772,431 2.904,432 1.222,433 0.264,434 0.308,435 0.431,436 0.248,437 1.36,438 0.554,439 2.467,440 0.925,445 13.767,446 0.492,447 0.516,448 0.018,449 40.75,450 1.455,451 23.5,452 0.839,453 17.25,454 0.616,455 19.057,456 0.681,457 27.633,458 0.601,459 29.3,460 1.046,461 8.308,462 0.297,463 5.433,464 0.194,465 0.061,467 0.291,471 0.701,472 0.947,473 0.711,474 0.794,475 0.605,476 0.785,477 0.78,478 1.016,479 0.846,480 0.875,481 0.654,482 0.878,483 0.986,484 1.052,485 1.185,486 1.11,487 0.91,488 0.971,489 1.434,490 1.148,491 1.327,492 1.247,493 1.576,494 1.084,495 0.966,496 1.005,497 1.076,498 1.072,499 1.032,500 1.033,501 0.836,502 1.124,503 1.134,504 1.167,505 0.77,506 1.067,507 1.14,508 1.06,509 0.859,510 0.893,511 1.043,512 0.942,513 1.026,514 0.963,515 0.953,516 0.92,517 0.935,518 1.012,519 4.5,520 0.082,521 2.889,522 1.667,523 1.067,524 0.761,525 0.515,526 0.327,527 0.271,528 0.158,529 10784,530 29751,531 2.137,532 39.1,534 15,536 1,537 2,542 1.707,543 2.049,544 3.561,545 0.212,547 1,550 72.918,551 1.585,552 3.522,553 4.508,554 5.273,555 5.42,556 5.42,557 3.067,558 4.084,559 4.775,560 3.752,561 1418.13,562 8.285,563 19263.3,565 1,567 1,568 254.084,569 1.198,570 4.76,571 0.145,572 0.005,573 0.069,574 0.04,575 0.029,576 0.022,577 0.015,578 0.01,579 0.01,580 0.008,581 0.352,582 0.17,583 1,584 0.787,585 142.529,586 0.024,587 0.09,588 0.053,589 0.077,590 -0.061,591 0.052,592 0.034,593 0.019,594 0.048,595 0.062,596 0.008,597 0.006,598 -0.072,599 -0.044,600 -0.017,601 -0.004,602 0.01,603 0.003,604 -0.161,605 -0.116,606 -0.125,607 -0.148,608 -0.173,609 -0.136,610 -0.034,611 -0.029,612 -0.055,613 -0.057,614 -0.078,615 -0.058,616 0.015,617 -0.151,618 -0.111,619 -0.154,620 0.034,621 -0.077,622 -0.097,623 -0.08,624 0.008,625 0.003,626 -0.037,627 0.023,628 0.023,629 0.044,630 -0.067,631 -0.022,632 0.002,633 -0.055,634 1.758,635 5.075,636 0.75,637 31.077,638 1,639 1.109,640 3.15,641 9.92,642 0.727,643 3.466,644 3.761,645 4.043,646 4.29,647 4.477,648 4.511,649 4.663,650 4.82,651 4.92,652 5.043,653 7.218,654 0.689,655 386.51,656 3.466,657 4.99,658 5.838,659 6.703,660 7.566,661 8.438,662 9.307,663 10.184,664 11.057,665 11.936,666 8.7,673 1,674 1,676 2,680 2,681 11,682 2,683 1,686 5,688 22,694 1,705 46,706 24,707 2,708 31,710 49,711 22,712 18,713 5,714 7,715 3,717 4,718 5,729 21,730 1,733 2,737 1,738 2,740 1,744 1,747 18,748 4,749 2,750 6,751 1,755 4,760 0.75,761 1,771 1,773 1,778 1,779 3,782 1,795 2,803 3,804 1,805 1,807 1,811 28,818 1,820 1,833 2.2,836 1,841 13.667,842 8.567,843 6.278,844 2.606,847 4.876,848 1.631,849 1.026,850 5.448,851 12.607,852 3.807,853 4.422,854 5.057,855 5.659,856 6.184,857 6.473,858 6.95,859 7.425,860 7.784,861 8.249,862 1,863 42,864 10.281,865 4.312,866 7.685,867 19.632,868 15.861,869 2.185,870 61.167,873 1,874 188.338,875 184.601,876 68.122,878 25.145,880 32.22,881 152.381,882 213.483,883 68.122,884 8.396,885 18.011,886 113.715,887 75.069,888 39.471,889 2.757,890 208.786,892 188.338,893 220.503,894 25.145,895 32.22,897 188.338,898 25.145,900 48.622,901 119.48,902 52.401,903 32.22,904 188.338,905 93.267,906 184.601,909 188.338,910 53.442,911 131.159,912 34.674,913 58.593,914 188.338,915 93.267,916 184.601,918 0.57,919 0.34,920 0.184,921 0.096,922 20,923 8,924 0.102,925 5,926 1,927 1.095,928 4.104,929 238.128,930 0.095,931 21,932 132.606,933 1,936 18.33,937 8.322,938 4.128,939 1.916,940 76.604,941 21.257,942 8.709,943 3.076,946 4.421,948 34.674,949 466.205,950 44,954 12.075,955 3.931,957 -0.092,960 45.996,961 51.029,962 0.287,963 0.638,964 0.816,965 0.955,966 0.981,967 0.981,968 5.007,969 1.451,970 5.796,971 3.78,972 4.443,973 5.109,974 3.027,975 6.581,976 4.374,977 6.215,978 1.348,979 7.334,980 3.193,981 3.892,982 4.796,984 7.434,985 3.786,986 7.513,987 1.127,988 8.974,989 3.112,990 6.004,991 7.347,992 5.043,993 10.536,994 5.873,995 8.853,996 1,997 10.677,998 2.6,999 6.33,1000 7.933,1002 12.263,1003 6.166,1004 10.226,1005 0.775,1006 12.422,1007 2.136,1008 7.856,1009 9.887,1010 7.187,1011 14.856,1012 7.673,1013 11.624,1014 0.47,1015 14.196,1016 1.809,1017 8.595,1018 10.918,1020 16.934,1021 8.384,1022 13.042,1023 0.264,1024 15.991,1025 1.123,1026 9.877,1027 12.61,1028 9.348,1029 19.354,1030 9.647,1031 3.099,1033 17.802,1034 0.431,1035 10.814,1036 13.87,1038 21.575,1039 10.559,1040 2.983,1041 10.339,1042 19.625,1044 11.993,1045 15.445,1046 11.511,1047 23.933,1048 11.719,1049 2.529,1050 9.959,1051 21.458,1052 4.514,1053 13.024,1054 16.821,1056 26.212,1057 12.725,1058 2.391,1059 7.261,1060 23.298,1061 3.946,1062 14.161,1063 18.345,1064 13.675,1065 28.547,1066 13.841,1067 2.009,1068 6.948,1069 25.144,1070 3.516,1071 15.236,1072 19.78,1074 30.851,1075 14.892,1076 1.796,1077 5.806,1078 26.995,1079 3.191,1080 16.357,1081 21.285,1082 15.838,1083 33.179,1084 15.992,1085 1.508,1086 5.113,1087 28.85,1088 2.665,1089 17.453,1090 22.75,1092 35.493,1093 17.063,1094 10198,1095 17078,1096 21.266,1097 33.455,1098 46.139,1099 49.301,1100 47.116,1101 45.573,1102 45.498,1103 63.743,1104 8.017,1105 127.22,1106 43.936,1107 5.353,1108 6.574,1109 6.344,1110 5.207,1111 5.099,1112 7.514,1113 5.9,1114 17.118,1115 5.022,1116 10.021,1117 1.488,1118 1.59,1119 1.52,1120 1.47,1121 1.468,1122 2.056,1123 0.259,1124 4.104,1125 1.417,1126 4.114,1127 4.149,1128 4.161,1129 4.04,1130 7.429,1131 4.035,1132 3.914,1133 3.935,1134 3.946,1135 3.861,1136 5.09,1137 3.851,1138 3.863,1139 3.903,1140 3.805,1141 3.767,1142 4.896,1143 3.77,1144 3.473,1145 3.541,1146 3.551,1147 3.386,1148 4.699,1149 3.366,1150 3.449,1151 3.502,1152 3.342,1153 3.201,1154 4.362,1155 3.226,1156 3.18,1157 3.244,1158 3.169,1159 3.071,1160 4.18,1161 3.044,1162 2.988,1163 3.043,1164 2.982,1165 2.85,1166 4.151,1167 2.82,1168 2.919,1169 2.964,1170 2.789,1171 2.789,1172 3.826,1173 2.775,1174 0.147,1175 0.148,1176 0.211,1177 0.131,1178 0.1,1179 4.558,1180 0.146,1181 4.574,1182 0.095,1183 6.542,1184 0.334,1185 4.073,1186 0.097,1187 3.099,1188 4.514,1189 2.95,1190 10.339,1191 3.022,1192 1.957,1193 1.944,1194 2.015,1195 2.012,1196 1.18,1197 2.024,1198 1.883,1199 1.86,1200 1.98,1201 1.978,1202 1.081,1203 1.983,1204 1.831,1205 1.798,1206 1.936,1207 1.928,1208 0.976,1209 1.933,1210 1.509,1211 1.46,1212 1.681,1213 1.735,1214 0.691,1215 1.705,1216 1.385,1217 1.307,1218 1.646,1219 1.679,1220 0.679,1221 1.683,1222 1.107,1223 1.035,1224 1.297,1225 1.345,1226 0.324,1227 1.347,1228 0.986,1229 0.963,1230 1.196,1231 1.196,1232 0.241,1233 1.196,1234 0.95,1235 0.898,1236 1.109,1237 1.042,1238 0.222,1239 1.089,1240 4.143,1242 5.442,1243 2.398,1244 6.942,1245 4.727,1246 8.53,1247 6.823,1248 10.163,1250 1.638,1257 2.686,1259 1.55,1267 31.675,1268 72.918,1269 162.004,1270 207.355,1271 242.574,1272 249.329,1273 249.329,1274 38.591,1275 7.731,1276 70.67,1277 95.97,1278 23,1279 12.474,1280 4.644,1281 3.807,1282 42.629,1283 124,1284 118,1285 0.172,1286 199.404,1287 335.74,1288 478.306,1289 26432,1291 19.347,1292 0.691,1293 0.573,1294 19.7,1295 16.033,1296 13.742,1297 0.443,1298 0.31,1299 8.792,1300 12.917,1301 8.494,1302 7.093,1303 14.15,1304 9.623,1305 11.851,1306 0.282,1307 0.171,1308 12.52,1309 7.197,1310 10.313,1311 0.184,1312 0.095,1313 11.07,1314 5.317,1315 8.487,1316 0.118,1317 0.053,1318 9.367,1319 3.829,1320 6.761,1321 0.078,1322 0.031,1323 7.657,1324 2.697,1325 0.274,1326 89.029,1327 0.217,1328 27.141,1329 0.457,1330 146,1331 406.552,1332 180.387,1333 425.706,1334 591.47,1335 400,1336 171,1337 426.704,1338 201.784,1339 452.166,1340 657.62,1341 427,1342 5.569}
{0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,118 43.8,123 1,130 1,138 9,139 1,140 5,141 1,142 1,151 1,152 1,163 4,167 6,170 3,171 1,172 4,173 7,176 1,177 3,180 1,182 5,184 6,187 1,188 4,193 4,195 4,199 1,200 5,203 2,205 6,208 4,213 2,221 4,224 1,225 5,228 1,230 5,233 8,237 2,242 2,245 4,249 4,252 1,254 2,257 2,260 1830,261 20.806,262 20.806,263 20.806,264 20.806,265 20.806,266 18.374,267 27.261,268 12.092,269 21.506,270 16.717,271 16.717,272 16.717,273 16.717,274 16.717,275 12.942,276 35.352,277 5.698,278 17.916,279 3.62,280 1.75,281 1.1,282 0.506,283 0.406,284 0.365,285 4.178,286 1,288 1,289 1,290 952,291 4.416,294 372.995,301 2.451,302 58.279,305 1,306 0.83,307 1,308 0.4,310 1,311 1,312 0.75,313 73.833,314 457,315 4.547,316 4.475,317 7.24,318 4.244,319 3.377,320 4.049,321 3.825,322 12.181,323 2.944,324 4.229,325 3.563,326 6.062,327 3.837,328 2.866,329 3.823,330 1.656,331 8.764,332 2.785,333 4.066,334 3.555,335 5.644,336 3.683,337 2.72,338 3.635,339 1.058,340 7.822,341 2.609,342 3.875,343 3.063,344 5.565,345 3.519,346 2.58,347 3.161,348 0.86,349 7.541,350 2.405,351 3.704,352 2.994,353 5.413,354 3.332,355 2.4,356 3.009,357 0.247,358 7.063,359 2.229,360 3.547,361 2.575,362 5.211,363 3.124,364 2.195,365 2.804,367 6.337,368 2.036,369 3.361,370 2.395,371 4.965,372 2.936,373 2.011,374 2.613,376 5.825,377 1.806,378 3.175,379 2.246,380 4.578,381 2.71,382 1.738,383 2.359,385 4.786,386 1.597,387 2.847,388 1.789,389 4.063,390 2.351,391 1.412,392 1.947,394 3.427,395 1.315,396 2.583,397 1.433,398 4.032,399 2.114,400 1.154,401 1.616,403 3.137,404 1.089,405 2.568,406 1.187,407 3.473,408 2.075,409 1.102,410 1.566,411 2.48,412 1.069,413 2.5,414 1.086,415 3.414,416 2,417 1,418 1.5,419 2.275,420 1,421 1.544,422 1,423 3.068,424 1.223,425 0.316,426 0.37,427 0.808,428 0.276,429 1.471,430 0.86,431 2.898,432 1.174,433 0.188,434 0.223,435 0.331,436 0.183,437 1.444,438 0.704,439 2.828,440 1.024,441 0.136,442 0.167,443 0.249,444 0.108,445 14.671,446 0.458,447 1.021,448 0.032,449 43.5,450 1.359,451 22.5,452 0.703,453 21,454 0.656,455 23.394,456 0.731,457 35.129,458 0.732,459 38.162,460 1.193,461 9.153,462 0.286,463 5.998,464 0.187,465 0.187,466 0.034,467 0.307,469 3,471 0.672,472 1.018,473 0.554,474 0.944,475 0.612,476 0.824,477 0.517,478 0.801,479 0.611,480 0.927,481 0.43,482 0.908,483 0.935,484 0.909,485 0.936,486 0.987,487 0.751,488 0.982,489 1.088,490 1.107,491 1.071,492 1.179,493 1.047,494 1.061,495 0.873,496 0.815,497 0.804,498 0.914,499 1.013,500 1.01,501 1.047,502 0.881,503 0.996,504 0.952,505 1.056,506 1.054,507 0.365,508 0.644,509 0.656,510 0.919,511 0.347,512 1.007,513 0.884,514 0.873,515 0.969,516 0.973,517 0.846,518 1.059,519 9,520 0.178,521 3.556,522 2.563,523 1.716,524 0.979,525 0.891,526 0.307,527 0.411,528 0.279,529 15376,530 65351,531 1.968,532 33.3,534 12,536 1,537 3,542 1.738,543 1.803,544 3.763,545 0.946,547 1,550 94.33,551 1.965,552 3.835,553 4.485,554 5.079,555 5.179,556 5.22,557 3.254,558 4.563,559 4.974,560 4.01,561 1989.05,562 8.658,563 31334,568 268.078,569 1.663,570 4.899,571 0.265,572 0.007,573 0.074,574 0.053,575 0.038,576 0.024,577 0.026,578 0.009,579 0.014,580 0.01,581 0.521,582 0.33,583 0.88,584 1.042,585 172.898,586 -0.085,587 -0.089,588 -0.005,589 -0.02,590 -0.105,591 0.022,592 0.329,593 0.244,594 0.097,595 0.014,596 0.36,597 -0.038,598 -0.142,599 -0.113,600 -0.055,601 -0.044,602 -0.061,603 -0.038,604 -0.065,605 -0.162,606 0.01,607 -0.189,608 -0.046,609 -0.097,610 0.026,611 0.089,612 -0.036,613 -0.003,614 -0.075,615 -0.064,616 -0.179,617 -0.018,618 -0.109,619 0.022,620 -0.185,621 -0.009,622 0.46,623 0.153,624 0.226,625 0.031,626 0.427,627 0.014,628 -0.126,629 -0.039,630 -0.089,631 -0.011,632 -0.106,633 -0.021,634 5.892,635 5.121,636 0.563,637 37.637,638 1.048,639 1.144,640 2.279,641 5.192,642 0.691,643 3.555,644 3.892,645 4.06,646 4.263,647 4.431,648 4.394,649 4.533,650 4.489,651 4.554,652 4.605,653 8.626,654 0.696,655 464.86,656 3.555,657 5.106,658 5.927,659 6.801,660 7.638,661 8.511,662 9.353,663 10.224,664 11.071,665 11.94,666 8.3,673 3,676 1,681 10,682 1,686 7,688 18,694 1,703 1,704 1,705 48,706 20,707 2,708 34,710 50,711 21,712 17,713 5,714 7,715 1,717 3,718 3,719 1,720 1,721 1,726 1,729 19,730 2,733 2,737 2,740 2,744 1,745 3,747 16,748 10,749 3,750 11,751 1,755 4,760 1,761 3,773 1,779 3,803 3,807 1,808 1,809 3,811 32,818 3,819 1,823 1,832 4,833 6.3,836 2,838 1,841 17.75,842 8.855,843 6.972,844 2.537,847 3.315,848 1.441,849 0.976,850 7.36,851 10.836,852 3.829,853 4.413,854 4.896,855 5.413,856 5.919,857 5.977,858 6.322,859 6.484,860 6.755,861 7.102,862 1,863 48,864 12.345,865 5.799,866 8.449,867 20.963,868 16.414,869 2.949,870 94.361,874 153.024,875 144.913,876 70.818,877 39.149,878 61.29,879 44.88,881 144.913,882 253.463,883 115.698,884 8.396,885 54.032,886 85.286,887 83.551,888 90.371,889 4.276,890 141.253,891 46.908,892 153.024,893 215.731,894 106.17,895 39.149,897 153.024,898 106.17,900 73.596,901 125.35,902 55.934,904 197.905,905 132.108,906 184.062,909 160.784,910 34.424,911 102.73,912 54.032,913 162.104,914 153.024,915 176.988,916 184.062,918 0.589,919 0.327,920 0.166,921 0.088,922 21,923 11,924 0.1,925 5,927 1,928 4.301,929 271.251,931 18,932 151.245,936 23.544,937 10.003,938 6.443,940 176.988,941 13.766,942 3.94,946 -0.192,948 54.032,949 514.074,950 45,954 23.764,957 -1.095,960 50.32,961 54.906,962 0.352,963 0.687,964 0.803,965 0.909,966 0.927,967 0.935,968 5.072,969 1.738,970 5.953,971 5.825,972 4.575,973 5.1,974 3.38,975 6.765,976 4.44,977 6.3,978 1.412,979 7.526,980 4.786,981 4.369,982 4.966,983 3.949,984 7.861,985 4.067,986 7.618,987 1.154,988 9.204,989 3.427,990 6.225,991 7.25,992 5.479,993 10.845,994 5.94,995 8.965,996 1.102,997 10.948,998 3.137,999 6.77,1000 7.816,1001 6.701,1002 12.764,1003 6.297,1004 10.339,1005 1,1006 12.737,1007 2.48,1008 8.176,1009 9.65,1010 8.067,1011 15.376,1012 7.698,1013 11.73,1014 0.316,1015 14.559,1016 2.275,1017 9.059,1018 10.553,1019 9.391,1020 17.645,1021 8.396,1022 13.137,1023 0.188,1024 16.409,1025 0.808,1026 10.306,1027 12.182,1028 10.736,1029 20.162,1030 9.597,1031 3.377,1032 0.136,1033 18.281,1034 0.331,1035 11.352,1036 13.275,1037 12.075,1038 22.573,1039 10.466,1040 2.866,1041 12.181,1042 20.173,1043 0.249,1044 12.548,1045 14.794,1046 13.417,1047 25.07,1048 11.579,1049 2.72,1050 8.764,1051 22.08,1052 4.049,1053 13.671,1054 15.999,1055 14.758,1056 27.535,1057 12.536,1058 2.58,1059 7.822,1060 24.001,1061 3.823,1062 14.857,1063 17.455,1064 16.1,1065 30.03,1066 13.611,1067 2.4,1068 7.541,1069 25.933,1070 3.635,1071 16.02,1072 18.729,1073 17.441,1074 32.516,1075 14.614,1076 2.195,1077 7.063,1078 27.875,1079 3.161,1080 17.21,1081 20.15,1082 18.783,1083 35.013,1084 15.673,1085 2.011,1086 6.337,1087 29.823,1088 3.009,1089 18.393,1090 21.465,1091 20.124,1092 37.507,1093 16.701,1094 15123,1095 31467,1096 21.671,1097 33.148,1098 51.216,1099 52.199,1100 52.202,1101 50.72,1102 50.392,1103 65.683,1104 15.294,1105 146.047,1106 46.9,1107 5.419,1108 6.475,1109 6.794,1110 5.319,1111 5.377,1112 7.049,1113 5.335,1114 19.593,1115 4.944,1116 20.629,1117 1.506,1118 1.535,1119 1.535,1120 1.492,1121 1.482,1122 1.932,1123 0.45,1124 4.296,1125 1.379,1126 3.988,1127 4.014,1128 4.047,1129 3.891,1130 8.513,1131 3.896,1132 3.924,1133 3.946,1134 3.912,1135 3.836,1136 7.999,1137 3.842,1138 3.837,1139 3.871,1140 3.792,1141 3.731,1142 7.999,1143 3.741,1144 3.482,1145 3.542,1146 3.491,1147 3.207,1148 7.432,1149 3.245,1150 3.442,1151 3.496,1152 3.387,1153 3.162,1154 7.428,1155 3.209,1156 3.276,1157 3.319,1158 3.356,1159 2.98,1160 4.97,1161 3.031,1162 3.003,1163 3.05,1164 3.172,1165 2.805,1166 4.902,1167 2.81,1168 2.947,1169 2.997,1170 2.861,1171 2.786,1172 4.739,1173 2.774,1174 0.134,1175 0.132,1176 0.213,1177 0.125,1178 0.099,1179 4.547,1180 0.119,1181 4.475,1182 0.113,1183 7.24,1184 0.358,1185 4.244,1186 0.087,1187 3.377,1188 4.049,1189 3.825,1190 12.181,1191 2.944,1192 1.911,1193 1.889,1194 1.999,1195 2.036,1196 1.099,1197 2.023,1198 1.886,1199 1.867,1200 1.957,1201 1.995,1202 1.065,1203 1.985,1204 1.8,1205 1.77,1206 1.896,1207 1.931,1208 0.937,1209 1.924,1210 1.382,1211 1.309,1212 1.674,1213 1.68,1214 0.677,1215 1.678,1216 1.278,1217 1.237,1218 1.373,1219 1.597,1220 0.329,1221 1.533,1222 1.076,1223 1.038,1224 1.205,1225 1.406,1226 0.258,1227 1.321,1228 0.961,1229 0.904,1230 1.196,1231 1.199,1232 0.238,1233 1.194,1234 0.887,1235 0.845,1236 1.181,1237 1.11,1238 0.218,1239 1.107,1240 4.234,1242 5.565,1244 7.072,1246 8.658,1248 10.285,1250 1.488,1251 5.568,1252 38.817,1257 7.288,1258 5.658,1262 -4.642,1267 33.422,1268 94.33,1269 184.065,1270 215.284,1271 243.814,1272 248.568,1273 250.568,1274 91.208,1275 7.521,1276 92.35,1277 92.35,1278 18,1279 12.488,1280 4.392,1281 3.585,1282 61.745,1283 169,1284 152,1285 0.177,1286 208.921,1287 376.83,1288 501.528,1289 20990,1290 8.3,1291 23.303,1292 0.728,1293 0.538,1294 21.303,1295 17.213,1296 15.151,1297 0.446,1298 0.278,1299 8.887,1300 14.02,1301 8.726,1302 7.21,1303 14.229,1304 9.441,1305 14.506,1306 0.302,1307 0.141,1308 12.882,1309 6.761,1310 10.793,1311 0.189,1312 0.077,1313 10.512,1314 4.398,1315 8.636,1316 0.123,1317 0.04,1318 7.83,1319 2.808,1320 6.703,1321 0.081,1322 0.021,1323 6.322,1324 1.759,1325 0.289,1326 100.132,1327 0.215,1328 30.681,1329 0.452,1330 164,1331 766.387,1332 212.555,1333 681.716,1334 873.99,1335 628,1336 187,1337 586.788,1338 223.738,1339 579.809,1340 860.84,1341 543,1342 5}
{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,118 37.3,119 2,124 6,138 4,139 1,140 2,141 1,143 2,145 1,148 1,151 1,155 1,163 4,166 2,167 6,170 3,172 3,173 4,176 1,177 1,180 1,182 5,184 4,187 3,188 4,191 3,193 2,195 5,199 1,200 5,203 1,204 1,208 1,212 2,213 5,216 1,221 5,224 2,225 6,228 2,230 2,233 1,237 1,240 1,242 5,248 3,249 3,252 2,254 2,257 1,260 2001,261 22.195,262 22.195,263 22.195,264 22.195,265 22.195,266 19.929,267 32.957,268 13.115,269 23.048,270 17.742,271 17.742,272 17.742,273 17.742,274 17.742,275 14.303,276 53.106,277 6.184,278 19.239,279 4.101,280 2.018,281 1.131,282 0.568,283 0.568,284 0.568,285 4.224,286 1,289 1,290 1026,291 3.464,293 97.808,294 357.583,301 2.349,302 33.625,305 1,306 0.67,307 1,308 1,309 0.5,310 1,311 1,312 0.88,313 71.833,314 479,315 4.372,316 3.598,317 6.427,318 3.97,319 3.025,320 4.012,321 1.058,322 9.81,323 2.855,324 4.278,325 3.209,326 6.209,327 3.89,328 2.963,329 3.905,330 0.8,331 9.352,332 2.742,333 4.182,334 3.187,335 6.053,336 3.729,337 2.816,338 3.795,339 0.8,340 8.741,341 2.583,342 3.731,343 2.874,344 5.56,345 3.499,346 2.572,347 2.948,348 0.4,349 7.535,350 2.377,351 3.573,352 2.712,353 5.322,354 3.261,355 2.344,356 2.8,358 6.886,359 2.131,360 3.377,361 2.486,362 5.139,363 3.091,364 2.175,365 2.481,367 6.287,368 1.978,369 3.232,370 2.379,371 4.841,372 2.799,373 1.879,374 2.478,376 5.178,377 1.722,378 3.232,379 2.119,380 4.717,381 2.782,382 1.854,383 2.446,385 5.104,386 1.638,387 2.898,388 1.66,389 4.254,390 2.451,391 1.484,392 2.064,394 3.876,395 1.433,396 2.623,397 1.578,398 4.184,399 2.329,400 1.39,401 1.628,403 3.748,404 1.3,405 2.572,406 1.558,407 3.789,408 2.079,409 1.12,410 1.553,411 2.808,412 1.051,413 2.17,414 1.399,415 3.414,416 1.967,417 1.025,418 1.055,419 2.275,420 0.965,421 2.062,422 1.146,423 3.275,424 1.935,425 1,426 1.003,427 1.824,428 0.926,429 2,430 1.064,431 3.163,432 1.528,433 0.688,434 1,435 1.676,436 0.566,437 1.58,438 0.727,439 2.952,440 1.216,441 0.302,442 0.362,443 0.714,444 0.248,445 16.014,446 0.485,447 0.835,448 0.025,449 41.75,450 1.265,451 19,452 0.576,453 22.75,454 0.689,455 31.371,456 0.951,457 36.186,458 0.613,459 31.424,460 0.952,461 8.116,462 0.246,463 7.807,464 0.237,465 0.149,467 0.331,471 0.871,472 1.516,473 0.673,474 0.997,475 0.729,476 0.939,477 0.846,478 1.116,479 0.718,480 0.852,481 0.638,482 0.832,483 1.049,484 1.094,485 0.974,486 0.982,487 0.885,488 0.963,489 0.792,490 1.051,491 0.939,492 1.061,493 0.784,494 1.089,495 1.031,496 0.858,497 0.993,498 0.89,499 0.99,500 0.89,501 1.204,502 0.956,503 0.805,504 0.815,505 1.435,506 0.852,507 0.825,508 1.14,509 1.308,510 1.304,511 0.675,512 1.059,513 0.943,514 1.085,515 1.039,516 1.08,517 0.788,518 0.962,519 7.5,520 0.133,521 3.556,522 2.222,523 1.899,524 1.181,525 0.688,526 0.518,527 0.28,528 0.313,529 16711,530 48685,531 2.061,532 44.1,533 3,534 16,536 1,537 3,538 3,542 1.749,543 1.922,544 3.77,545 0.922,550 105.106,551 1.781,552 3.865,553 4.752,554 5.315,555 5.315,556 5.315,557 3.242,558 4.62,559 5.014,560 3.973,561 2097.49,562 8.765,563 32631.5,568 347.076,569 1.434,570 4.971,571 0.208,572 0.004,573 0.071,574 0.044,575 0.04,576 0.026,577 0.016,578 0.013,579 0.008,580 0.01,581 0.443,582 0.17,583 0.88,584 0.871,585 178.143,586 -0.103,587 -0.284,588 0.036,589 -0.029,590 -0.079,591 -0.005,592 0.046,593 0.031,594 0.118,595 0.1,596 0.062,597 0.096,598 -0.089,599 -0.01,600 -0.037,601 -0.021,602 -0.048,603 -0.022,604 0.071,605 -0.045,606 -0.009,607 -0.095,608 0.049,609 -0.103,610 0.004,611 0.083,612 0.046,613 0.094,614 0.05,615 0.101,616 -0.092,617 0.057,618 0.17,619 0.214,620 -0.151,621 0.114,622 0.027,623 -0.048,624 -0.116,625 -0.117,626 0.047,627 -0.054,628 -0.055,629 -0.037,630 -0.057,631 -0.038,632 0.005,633 0.009,634 1.933,635 5.693,636 0.697,637 39.278,638 1.01,639 1.134,640 3.268,641 10.678,642 0.679,643 3.611,644 3.932,645 4.174,646 4.419,647 4.595,648 4.654,649 4.727,650 4.868,651 4.963,652 5.03,653 8.272,654 0.642,655 488.07,656 3.611,657 5.153,658 5.994,659 6.866,660 7.721,661 8.595,662 9.455,663 10.33,664 11.193,665 12.069,666 11.9,669 1,672 1,673 1,674 1,676 3,681 5,682 3,685 1,686 8,688 17,694 1,699 1,701 1,704 1,705 59,706 18,707 1,708 36,710 62,711 22,712 13,713 3,714 3,715 1,717 4,718 4,719 1,721 3,729 14,730 8,733 1,737 1,740 1,747 26,748 9,749 3,750 11,751 2,755 7,760 1,761 2,762 1,774 1,778 1,779 3,800 1,801 1,803 4,805 1,807 2,808 1,811 33,816 1,817 6,818 2,822 2,827 1,832 1,833 3.4,834 1,836 1,841 17.167,842 11.093,843 7.278,844 3.454,847 3.184,848 1.4,849 0.966,850 7.884,851 11.14,852 3.839,853 4.41,854 4.923,855 5.448,856 5.849,857 6.035,858 6.261,859 6.662,860 7.016,861 7.296,862 0.9,863 50,864 12.193,865 5.129,866 7.771,867 23.249,868 18.825,869 2.271,870 74.944,874 270.735,875 129.4,876 92.627,877 39.149,878 67.828,880 31.278,881 98.122,882 377.712,883 92.627,884 17.65,885 28.539,886 80.588,887 91.977,888 45.578,889 6.014,890 290.242,891 39.149,892 270.735,893 190.749,894 67.828,895 70.426,897 273.063,898 25.145,899 42.683,900 76.873,901 61.191,902 89.505,903 31.278,904 270.735,905 160.455,906 168.548,909 270.735,910 64.797,911 70.851,912 36.022,913 157.334,914 270.735,915 160.455,916 168.548,918 0.58,919 0.336,920 0.181,921 0.095,922 23,923 11,924 0.113,925 7,927 1,928 4.446,929 295.833,931 23,932 157.71,933 1,936 23.984,937 10.847,938 6.05,940 160.455,941 8.899,942 13.38,945 1.238,946 5.123,948 78.705,949 599.738,950 45.5,954 12.693,957 -0.267,960 59.603,961 66.923,962 0.303,963 0.657,964 0.808,965 0.903,966 0.903,967 0.903,968 5.083,969 1.854,970 5.979,971 5.178,972 4.615,973 5.097,974 1.701,975 6.765,976 4.459,977 6.275,978 1.484,979 7.525,980 5.104,981 4.205,982 4.89,983 0.57,984 7.582,985 3.955,986 7.573,987 1.39,988 9.164,989 3.876,990 6.192,991 7.225,992 1.5,993 10.652,994 5.89,995 8.9,996 1.12,997 10.857,998 3.748,999 6.567,1000 7.811,1001 0.479,1002 12.26,1003 6.171,1004 10.257,1005 1.025,1006 12.583,1007 2.808,1008 8.028,1009 9.634,1010 1.472,1011 14.832,1012 7.584,1013 11.634,1014 1,1015 14.333,1016 2.275,1017 8.766,1018 10.595,1019 0.346,1020 16.784,1021 8.236,1022 13.027,1023 0.688,1024 16.099,1025 1.824,1026 10.009,1027 12.196,1028 1.501,1029 19.165,1030 9.429,1031 3.025,1032 0.302,1033 17.878,1034 1.676,1035 10.924,1036 13.348,1037 0.237,1038 21.277,1039 10.265,1040 2.963,1041 9.81,1042 19.668,1043 0.714,1044 12.072,1045 14.841,1046 1.556,1047 23.582,1048 11.36,1049 2.816,1050 9.352,1051 21.465,1052 4.012,1053 13.074,1054 16.092,1055 0.158,1056 25.769,1057 12.288,1058 2.572,1059 8.741,1060 23.27,1061 3.905,1062 14.182,1063 17.529,1064 1.626,1065 28.043,1066 13.339,1067 2.344,1068 7.535,1069 25.08,1070 3.795,1071 15.226,1072 18.834,1073 0.104,1074 30.267,1075 14.314,1076 2.175,1077 6.886,1078 26.894,1079 2.948,1080 16.319,1081 20.242,1082 1.706,1083 32.531,1084 15.348,1085 1.879,1086 6.287,1087 28.713,1088 2.8,1089 17.383,1090 21.575,1091 0.068,1092 34.773,1093 16.347,1094 15991,1095 27529,1096 23.868,1097 40.068,1098 53.852,1099 54.91,1100 55.262,1101 53.389,1102 53.272,1103 67.06,1104 6.117,1105 151.631,1106 49.029,1107 5.372,1108 5.598,1109 6.197,1110 5.109,1111 5.025,1112 7.012,1113 2.117,1114 16.37,1115 4.855,1116 17.595,1117 1.496,1118 1.525,1119 1.535,1120 1.483,1121 1.48,1122 1.863,1123 0.17,1124 4.212,1125 1.362,1126 3.993,1127 4.038,1128 4.246,1129 3.912,1130 7.429,1131 3.896,1132 3.92,1133 3.959,1134 4.011,1135 3.82,1136 6.456,1137 3.802,1138 3.818,1139 3.859,1140 3.872,1141 3.722,1142 5.005,1143 3.706,1144 3.72,1145 3.768,1146 3.641,1147 3.54,1148 4.93,1149 3.553,1150 3.421,1151 3.49,1152 3.369,1153 3.194,1154 4.789,1155 3.196,1156 3.274,1157 3.332,1158 3.265,1159 3.052,1160 4.361,1161 3.062,1162 3.176,1163 3.256,1164 3.233,1165 3.035,1166 4.336,1167 3.014,1168 3.148,1169 3.223,1170 2.993,1171 2.957,1172 4.037,1173 2.958,1174 0.121,1175 0.1,1176 0.179,1177 0.11,1178 0.084,1179 4.372,1180 0.111,1181 3.598,1182 0.029,1183 6.427,1184 0.273,1185 3.97,1186 0.079,1187 3.025,1188 4.012,1189 1.058,1190 9.81,1191 2.855,1192 1.911,1193 1.888,1194 2.006,1195 2.062,1196 1.314,1197 2.049,1198 1.849,1199 1.791,1200 2.005,1201 1.998,1202 1.136,1203 2.007,1204 1.692,1205 1.628,1206 1.843,1207 1.911,1208 0.964,1209 1.898,1210 1.495,1211 1.496,1212 1.677,1213 1.655,1214 0.854,1215 1.659,1216 1.385,1217 1.315,1218 1.545,1219 1.646,1220 0.825,1221 1.631,1222 1.298,1223 1.238,1224 1.532,1225 1.521,1226 0.668,1227 1.532,1228 1.204,1229 1.129,1230 1.513,1231 1.407,1232 0.605,1233 1.459,1234 1.153,1235 1.064,1236 1.513,1237 1.376,1238 0.593,1239 1.429,1240 4.29,1242 5.609,1243 2.398,1244 7.111,1245 4.595,1246 8.696,1247 6.581,1248 10.323,1250 3.742,1251 6.22,1255 9.128,1256 4.286,1257 6.061,1261 4.441,1267 37.862,1268 105.106,1269 228.043,1270 280.347,1271 313.566,1272 313.566,1273 313.566,1274 60.808,1275 7.956,1276 106.51,1277 134.75,1278 23,1279 12.611,1280 4.248,1281 3.392,1282 54.607,1283 165,1284 182,1285 0.16,1286 240.898,1287 411.56,1288 579.551,1289 36058,1290 1.7,1291 23.372,1292 0.708,1293 0.608,1294 24.225,1295 20.08,1296 15.923,1297 0.442,1298 0.329,1299 10.585,1300 14.517,1301 10.203,1302 8.418,1303 16.62,1304 11.853,1305 14.445,1306 0.289,1307 0.184,1308 15.485,1309 9.189,1310 11.81,1311 0.185,1312 0.103,1313 12.975,1314 6.588,1315 9.89,1316 0.121,1317 0.056,1318 11.004,1319 4.619,1320 7.523,1321 0.077,1322 0.029,1323 8.334,1324 2.857,1325 0.258,1326 107.355,1327 0.205,1328 31.192,1329 0.419,1330 172,1331 521.84,1332 232.562,1333 553.559,1334 745.38,1335 518,1336 200,1337 507.292,1338 253.281,1339 537.185,1340 787.64,1341 505,1342 9.412}
{0 CHEMBL14762,1 1.5,2 9.462,3 3.181,4 10.12,5 106.143,6 6.817,7 0.571,8 4.034,9 4.18,10 3.519,11 3.496,12 5.088,13 3.472,14 4.572,15 4.785,16 3.856,17 3.869,18 5.559,19 3.815,20 4.81,21 5.061,22 3.912,23 3.985,24 5.757,25 3.906,26 4.882,27 5.147,28 3.89,29 3.981,30 5.84,31 3.892,32 4.843,33 5.117,34 3.806,35 3.913,36 5.833,37 3.834,38 4.671,39 4.9,40 3.827,41 3.894,42 5.652,43 3.838,44 4.764,45 4.999,46 3.846,47 3.969,48 5.745,49 3.896,50 4.877,51 5.132,52 3.736,53 4.031,54 5.779,55 3.9,56 0.052,57 0.803,58 12.071,59 4.161,60 11.302,61 6.38,62 0.304,63 1.233,64 21.878,65 6.999,66 27.887,67 10.721,68 0.365,69 1.431,70 28.413,71 8.106,72 37.986,73 13.299,74 0.425,75 1.463,76 31.008,77 8.473,78 44.897,79 13.926,80 0.557,81 1.385,82 30.377,83 6.812,84 60.496,85 12.199,86 0.263,87 1.314,88 24.475,89 6.143,90 29.225,91 10.697,92 0.429,93 1.397,94 27.167,95 6.888,96 37.375,97 11.79,98 0.346,99 1.421,100 30.375,101 9.501,102 43.03,103 14.901,104 28,105 38,106 0.252,107 0.595,108 0.767,109 0.831,110 0.84,111 0.84,112 3.305,113 0.966,114 -4.72,115 -4.63,116 -4.35,118 36.5,119 3,120 1,124 2,126 2,138 5,139 1,142 1,143 1,146 1,153 1,154 1,163 7,166 3,167 2,170 3,172 2,173 7,176 2,180 1,181 1,182 4,184 3,187 1,188 7,191 3,192 1,193 3,200 5,203 3,205 1,213 9,218 6,225 9,228 1,229 1,230 3,237 6,240 1,242 2,245 5,249 2,254 4,257 9,260 1070,261 17.74,262 17.74,263 17.74,264 17.74,265 17.74,266 15.891,267 24.833,268 10.529,269 18.162,270 13.704,271 13.704,272 13.704,273 13.704,274 13.704,275 10.846,276 38.665,277 4.846,278 14.447,279 4.201,280 2.156,281 1.133,282 0.75,283 0.697,284 0.697,285 3.986,287 1,288 1,289 1,290 513,291 3.742,293 59.154,294 151.285,297 107.706,301 1.462,302 20.389,304 1,305 1,306 1,307 1,308 1,309 0.5,310 1,311 1,312 0.93,313 56,314 246,315 4.656,316 3.293,317 6.805,318 4.159,319 3.226,320 4.614,321 0.657,322 11.227,323 3.01,324 3.93,325 2.838,326 5.977,327 3.583,328 2.649,329 3.451,330 0.4,331 8.354,332 2.519,333 3.863,334 2.769,335 5.526,336 3.513,337 2.542,338 3.308,340 7.443,341 2.438,342 3.663,343 2.587,344 5.342,345 3.398,346 2.436,347 2.987,349 6.952,350 2.327,351 3.239,352 2.136,353 4.978,354 2.952,355 2.021,356 2.306,358 5.785,359 1.874,360 3.071,361 1.937,362 4.958,363 2.77,364 1.826,365 2.2,367 5.252,368 1.72,369 2.908,370 1.584,371 3.925,372 2.48,373 1.49,374 2.069,376 3.199,377 1.474,378 2.568,379 1.191,380 3.675,381 2.039,382 1.129,383 1.595,385 2.828,386 1.027,387 2.5,388 1.075,389 3.61,390 2,391 1,392 1.5,394 2.389,395 1,396 2.196,397 1.003,398 3.247,399 1.865,400 0.926,401 1.132,403 2.136,404 0.867,405 1.759,406 1,407 3.088,408 1.556,409 0.618,410 0.618,411 1.222,412 0.572,413 1.618,414 0.651,415 2.914,416 1.432,417 0.505,418 0.612,419 0.791,420 0.467,421 1.33,422 0.4,423 2.627,424 1.103,425 0.202,426 0.22,427 0.358,428 0.181,429 1,430 -0.155,431 2.618,432 0.611,433 -0.325,434 -0.41,435 -0.788,436 -0.302,437 0.735,438 -0.299,439 2.244,440 0.409,441 -0.52,442 -0.598,443 -1.136,444 -0.481,445 12.233,446 0.471,447 0.554,448 0.021,449 32.5,450 1.25,451 15,452 0.577,453 17.5,454 0.673,455 22.94,456 0.882,457 29.167,458 0.561,459 23.064,460 0.887,461 6.142,462 0.236,463 6.476,464 0.249,465 0.15,467 0.319,471 1.034,472 1.604,473 0.904,474 1.231,475 1.021,476 1.076,477 0.853,478 1.101,479 0.894,480 1.024,481 0.841,482 0.977,483 0.899,484 1.143,485 0.911,486 0.992,487 0.748,488 0.953,489 1.067,490 1.092,491 0.957,492 0.986,493 1.088,494 0.96,495 1.466,496 0.9,497 1.103,498 0.74,499 1.294,500 0.837,501 1.376,502 1.269,503 1.148,504 1.026,505 0.944,506 1.028,507 1.361,508 1.058,509 1.239,510 0.969,511 0.953,512 1.046,513 1.059,514 1.038,515 1.16,516 1.136,517 0.941,518 1.154,519 5,520 0.074,521 2.444,522 1.66,523 1.286,524 0.854,525 0.678,526 0.478,527 0.38,528 0.136,529 7233,530 16884,531 2.037,532 50,533 3,534 11,536 1,537 3,539 8,542 1.698,543 1.902,544 3.228,545 0.974,546 1,547 1,550 77.991,551 1.5,552 3.544,553 4.568,554 4.95,555 5.003,556 5.003,557 2.676,558 4.085,559 4.667,560 3.393,561 1102.79,562 8.128,563 13859,565 1,567 1,568 296.423,569 1.42,570 4.628,571 0.179,572 0.005,573 0.064,574 0.043,575 0.035,576 0.025,577 0.019,578 0.013,579 0.012,580 0.006,581 0.401,582 0.17,583 1,584 1.317,585 126.185,586 -0.083,587 -0.298,588 0.043,589 -0.081,590 -0.128,591 -0.016,592 0.174,593 0.066,594 0.084,595 0.01,596 0.037,597 0.021,598 0.098,599 -0.076,600 0.075,601 -0.017,602 0.07,603 0.018,604 0.056,605 -0.071,606 0.047,607 -0.045,608 -0.034,609 -0.012,610 -0.137,611 0.139,612 -0.066,613 0.129,614 -0.089,615 0.058,616 -0.259,617 -0.097,618 -0.149,619 -0.071,620 -0.113,621 -0.084,622 -0.181,623 0.099,624 -0.233,625 -0.025,626 -0.065,627 -0.111,628 -0.101,629 -0.015,630 -0.191,631 -0.129,632 0.005,633 -0.161,634 1.464,635 3.474,636 0.577,637 24.935,638 0.996,639 1.141,640 3.488,641 12.167,642 0.637,643 3.367,644 3.664,645 3.932,646 4.19,647 4.394,648 4.522,649 4.673,650 4.82,651 4.828,652 4.787,653 5.937,654 0.598,655 354.51,656 3.367,657 4.89,658 5.733,659 6.605,660 7.473,661 8.357,662 9.237,663 10.129,664 11.017,665 11.915,666 11.5,671 2,674 1,676 3,680 2,681 6,682 3,686 3,687 1,688 16,699 2,705 52,706 16,707 1,708 28,710 54,711 19,712 11,713 1,714 5,717 3,718 4,721 4,727 3,729 11,730 8,743 1,744 1,747 26,748 6,749 3,750 7,753 1,755 6,760 0.667,761 1,762 1,774 1,778 1,779 2,782 1,801 1,803 2,807 3,811 26,816 1,817 3,818 2,821 2,833 1.9,834 1,841 13.667,842 9.917,843 5.944,844 3.294,847 2.998,848 1.418,849 0.936,850 6.069,851 10.168,852 3.611,853 4.201,854 4.813,855 5.43,856 5.949,857 6.273,858 6.662,859 7.062,860 7.196,861 7.407,862 1,863 39,864 9.596,865 3.941,866 7.635,867 18.531,868 14.826,869 2.135,870 55.5,873 1,874 270.735,875 98.388,876 88.277,878 42.683,881 98.388,882 313.419,883 88.277,884 26.476,885 4.64,886 90.065,887 108.483,888 7.229,889 4.227,890 258.964,892 270.735,893 186.665,894 42.683,897 176.567,898 94.169,899 42.683,900 47.392,901 52.895,902 86.378,904 270.735,905 130.961,906 98.388,909 270.735,910 15.912,911 84.375,912 36.022,913 93.04,914 270.735,915 130.961,916 98.388,918 0.568,919 0.337,920 0.179,921 0.095,922 17,923 8,924 0.148,925 8,926 1,927 1.133,928 3.729,929 214.862,930 0.133,931 15,932 116.211,936 18.617,937 8.475,938 4.34,939 1.526,940 129.061,941 11.954,942 13.75,946 2.351,947 2.024,948 78.705,949 500.084,950 36,960 51.774,961 59.351,962 0.263,963 0.622,964 0.801,965 0.868,966 0.878,967 0.878,968 4.828,969 1.129,970 5.707,971 3.199,972 4.344,973 4.887,974 0.781,975 6.509,976 4.235,977 6.021,978 1,979 7.259,980 2.828,981 3.892,982 4.677,984 7.416,985 3.73,986 7.321,987 0.926,988 8.913,989 2.389,990 5.922,991 7.114,992 0.354,993 10.518,994 5.695,995 8.662,996 0.618,997 10.627,998 2.136,999 6.312,1000 7.805,1002 12.286,1003 6.017,1004 10.039,1005 0.505,1006 12.383,1007 1.222,1008 7.793,1009 9.7,1010 0.157,1011 14.919,1012 7.44,1013 11.444,1014 0.202,1015 14.167,1016 0.791,1017 8.577,1018 10.827,1020 17.057,1021 8.147,1022 12.872,1023 -0.325,1024 15.973,1025 0.358,1026 9.844,1027 12.501,1028 0.069,1029 19.542,1030 9.355,1031 3.226,1032 -0.52,1033 17.797,1034 -0.788,1035 10.822,1036 13.844,1038 21.84,1039 10.252,1040 2.649,1041 11.227,1042 19.635,1043 -1.136,1044 12.008,1045 15.427,1046 0.03,1047 24.277,1048 11.375,1049 2.542,1050 8.354,1051 21.485,1052 4.614,1053 13.08,1054 16.871,1056 26.644,1057 12.367,1058 2.436,1059 7.443,1060 23.346,1061 3.451,1062 14.241,1063 18.418,1064 0.013,1065 29.066,1066 13.461,1067 2.021,1068 6.952,1069 25.215,1070 3.308,1071 15.359,1072 19.909,1074 31.461,1075 14.501,1076 1.826,1077 5.785,1078 27.091,1079 2.987,1080 16.516,1081 21.443,1082 0.006,1083 33.879,1084 15.587,1085 1.49,1086 5.252,1087 28.973,1088 2.306,1089 17.657,1090 22.954,1092 36.287,1093 16.652,1094 7195,1095 11124,1096 18.493,1097 33.103,1098 41.172,1099 41.64,1100 42.947,1101 41.092,1102 41.139,1103 53.225,1104 2.115,1105 115.87,1106 38.951,1107 5.503,1108 5.293,1109 6.607,1110 5.24,1111 5.226,1112 7.614,1113 1.315,1114 18.537,1115 5.01,1116 13.218,1117 1.47,1118 1.487,1119 1.534,1120 1.468,1121 1.469,1122 1.901,1123 0.076,1124 4.138,1125 1.391,1126 4.109,1127 4.166,1128 4.087,1129 3.925,1130 6.456,1131 3.957,1132 3.901,1133 3.936,1134 3.827,1135 3.83,1136 5.145,1137 3.828,1138 3.724,1139 3.791,1140 3.6,1141 3.55,1142 4.754,1143 3.548,1144 3.573,1145 3.646,1146 3.44,1147 3.405,1148 4.57,1149 3.401,1150 3.295,1151 3.383,1152 3.143,1153 3.093,1154 4.246,1155 3.095,1156 3.236,1157 3.329,1158 3.093,1159 2.998,1160 4.099,1161 3.006,1162 3.138,1163 3.211,1164 2.94,1165 2.871,1166 4.078,1167 2.882,1168 2.874,1169 3.009,1170 2.717,1171 2.735,1172 3.748,1173 2.715,1174 0.166,1175 0.118,1176 0.243,1177 0.149,1178 0.115,1179 4.656,1180 0.165,1181 3.293,1182 0.023,1183 6.805,1184 0.401,1185 4.159,1186 0.108,1187 3.226,1188 4.614,1189 0.657,1190 11.227,1191 3.01,1192 1.918,1193 1.885,1194 2.043,1195 2.062,1196 1.23,1197 2.043,1198 1.828,1199 1.779,1200 1.968,1201 1.983,1202 1.17,1203 1.989,1204 1.691,1205 1.625,1206 1.937,1207 1.9,1208 1.148,1209 1.913,1210 1.617,1211 1.555,1212 1.759,1213 1.814,1214 0.837,1215 1.812,1216 1.246,1217 1.166,1218 1.55,1219 1.508,1220 0.688,1221 1.526,1222 1.182,1223 1.1,1224 1.469,1225 1.461,1226 0.623,1227 1.472,1228 1.151,1229 1.067,1230 1.417,1231 1.413,1232 0.469,1233 1.412,1234 0.934,1235 0.821,1236 1.359,1237 1.239,1238 0.353,1239 1.308,1240 4.043,1242 5.342,1243 2.398,1244 6.838,1245 4.727,1246 8.427,1247 6.862,1248 10.069,1250 6.2,1255 9.474,1256 1.473,1257 6.588,1260 0.161,1267 31.111,1268 77.991,1269 184.307,1270 237.529,1271 257.403,1272 260.158,1273 260.158,1274 42.011,1275 7.169,1276 87.89,1277 87.89,1278 17,1279 12.441,1280 4.087,1281 3.17,1282 43.987,1283 90,1284 96,1285 0.238,1286 195.115,1287 323.79,1288 467.841,1289 11364,1291 18.518,1292 0.712,1293 0.595,1294 18.518,1295 15.476,1296 12.618,1297 0.451,1298 0.322,1299 8.887,1300 12.128,1301 8.601,1302 7.244,1303 12.618,1304 9.017,1305 10.91,1306 0.287,1307 0.173,1308 10.91,1309 6.585,1310 9.128,1311 0.183,1312 0.087,1313 9.128,1314 4.327,1315 7.521,1316 0.116,1317 0.042,1318 7.521,1319 2.723,1320 5.813,1321 0.073,1322 0.021,1323 5.813,1324 1.679,1325 0.365,1326 79.084,1327 0.233,1328 24.877,1329 0.678,1330 132,1331 351.396,1332 146.123,1333 343.576,1334 480.25,1335 324,1336 154,1337 363.797,1338 169.15,1339 368.515,1340 541.86,1341 347,1342 5}
{0 CHEMBL1614701,1 2.039,2 9.815,3 3.234,4 10.461,5 102.384,6 10.898,7 0.552,8 3.88,9 3.977,10 3.747,11 3.406,12 5.143,13 3.419,14 4.367,15 4.502,16 4.17,17 3.789,18 5.626,19 3.787,20 4.575,21 4.72,22 4.313,23 3.908,24 5.974,25 3.885,26 4.605,27 4.779,28 4.414,29 3.873,30 5.96,31 3.844,32 4.549,33 4.713,34 4.164,35 3.765,36 6.036,37 3.785,38 4.562,39 4.689,40 4.272,41 3.821,42 6.169,43 3.842,44 4.586,45 4.746,46 4.239,47 3.795,48 5.983,49 3.784,50 4.555,51 4.749,52 4.302,53 3.728,54 5.806,55 3.674,56 0.255,57 0.679,58 3.015,59 3.461,60 19.199,61 3.449,62 0.538,63 1.037,64 9.729,65 5.922,66 42.845,67 5.857,68 0.872,69 1.262,70 23.78,71 7.869,72 71.232,73 7.961,74 0.832,75 1.321,76 33.428,77 8.205,78 63.717,79 8.272,80 0.944,81 1.243,82 17.834,83 7.175,84 108.942,85 7.332,86 1.045,87 1.235,88 16.589,89 7.522,90 112.204,91 6.621,92 0.901,93 1.128,94 16.171,95 7.214,96 90.926,97 6.667,98 0.973,99 1.017,100 26.345,101 8.19,102 84.24,103 7.949,104 42,105 41,106 0.356,107 0.753,108 0.855,109 0.905,110 0.905,111 0.905,112 3.341,113 0.929,114 -4.17,115 -4.11,116 -3.89,117 1,118 40.5,123 1,124 2,138 4,139 1,140 5,142 1,148 1,151 1,153 1,161 1,163 2,166 1,167 2,170 1,172 3,173 4,176 1,177 4,180 1,182 5,184 3,188 2,191 2,192 2,195 3,199 1,203 3,205 1,208 4,212 2,213 2,216 2,218 2,221 3,224 1,225 8,230 4,233 1,237 6,241 1,245 1,249 2,252 1,254 1,260 1213,261 17.922,262 17.922,263 17.922,264 17.922,265 17.922,266 15.746,267 18.997,268 10.554,269 18.585,270 14.227,271 14.227,272 14.227,273 14.227,274 14.227,275 10.912,276 21.153,277 4.957,278 15.422,279 3.353,280 1.078,281 0.494,282 0.208,283 0.208,284 0.208,285 4.016,286 1,288 1,289 1,290 553,291 3.536,293 66.456,294 150.725,297 114.279,301 1.317,302 41.631,305 1,306 0.83,307 1,308 0.6,310 1,311 1,312 0.78,313 60.583,314 265,315 4.714,316 4.038,317 6.907,318 4.258,319 3.294,320 4.67,321 2.095,322 11.539,323 3.175,324 4.256,325 3.489,326 6.343,327 3.807,328 2.878,329 3.9,330 0.776,331 9.524,332 2.692,333 4.109,334 3.223,335 6.047,336 3.688,337 2.728,338 3.664,339 0.4,340 8.648,341 2.558,342 3.719,343 3.179,344 5.738,345 3.307,346 2.364,347 3.105,349 7.429,350 2.202,351 3.45,352 2.777,353 5.009,354 2.959,355 2.101,356 2.765,358 5.856,359 1.734,360 3.112,361 2.668,362 4.883,363 2.729,364 1.796,365 2.263,367 5.049,368 1.627,369 2.878,370 2.206,371 4.334,372 2.483,373 1.573,374 2.019,376 3.971,377 1.404,378 2.801,379 1.846,380 4.163,381 2.342,382 1.4,383 1.925,385 3.664,386 1.305,387 2.618,388 1.772,389 3.809,390 2.312,391 1.377,392 1.615,394 3.006,395 1.223,396 2.337,397 1.579,398 3.551,399 1.86,400 0.949,401 1.257,403 2.282,404 0.858,405 1.797,406 1.217,407 3.364,408 1.578,409 0.664,410 0.724,411 1.493,412 0.587,413 1.72,414 0.92,415 2.826,416 1.391,417 0.471,418 0.561,419 0.903,420 0.405,421 1.279,422 0.715,423 2.764,424 0.838,425 -0.006,426 -0.007,427 -0.014,428 -0.004,429 1.065,430 0.527,431 2.432,432 0.65,433 -0.266,434 -0.313,435 -0.551,436 -0.236,437 0.797,438 0.24,439 2.359,440 0.494,441 -0.44,442 -0.521,443 -0.847,444 -0.264,445 13.433,446 0.498,447 0.754,448 0.028,449 34,450 1.259,451 16,452 0.593,453 18,454 0.667,455 24.068,456 0.891,457 29.167,458 0.694,459 26.718,460 0.99,461 6.889,462 0.255,463 6.029,464 0.223,465 0.261,467 0.365,470 1,471 0.744,472 1.144,473 0.484,474 0.767,475 0.662,476 0.773,477 0.938,478 1.005,479 0.584,480 0.67,481 0.73,482 0.712,483 0.871,484 1.093,485 0.976,486 0.962,487 0.846,488 0.946,489 1.02,490 1.14,491 0.708,492 0.893,493 1.089,494 0.94,495 1.119,496 1.081,497 0.409,498 0.733,499 1.342,500 0.779,501 1.29,502 1.367,503 0.662,504 0.939,505 1.494,506 0.967,507 1.248,508 1.075,509 0.652,510 0.902,511 1.308,512 1.005,513 1.15,514 0.893,515 0.901,516 0.854,517 1.013,518 0.892,519 5.5,520 0.123,521 3.778,522 2.194,523 2.129,524 1.285,525 0.801,526 0.585,527 0.417,528 0.198,529 7560,530 31134,531 1.992,532 35.7,534 11,536 1,537 3,542 1.709,543 1.82,544 3.224,545 1.055,547 1,550 85.632,551 2.039,552 4.315,553 4.898,554 5.184,555 5.184,556 5.184,557 2.658,558 4.607,559 4.72,560 3.374,561 1184.36,562 8.245,563 14907.7,568 226.477,569 1.541,570 4.659,571 0.19,572 0.009,573 0.092,574 0.05,575 0.052,576 0.031,577 0.019,578 0.016,579 0.013,580 0.009,581 0.481,582 0.33,583 1,584 1.539,585 131.576,586 -0.069,587 -0.097,588 -0.007,589 0.02,590 -0.089,591 0.025,592 -0.134,593 -0.008,594 0.02,595 0.162,596 -0.061,597 0.145,598 0.06,599 -0.065,600 -0.074,601 -0.024,602 0.037,603 -0.036,604 -0.042,605 -0.023,606 0.063,607 0.006,608 -0.074,609 -0.021,610 0.034,611 0.095,612 0.039,613 0.085,614 0.007,615 0.106,616 0.004,617 -0.046,618 -0.061,619 -0.07,620 0.024,621 -0.135,622 -0.188,623 -0.075,624 -0.026,625 -0.059,626 -0.166,627 -0.131,628 -0.096,629 0.033,630 0.079,631 0.123,632 -0.086,633 0.107,634 2.362,635 7.137,636 0.556,637 23.923,638 1.039,639 1.135,640 2.942,641 8.656,642 0.711,643 3.401,644 3.738,645 4.025,646 4.29,647 4.533,648 4.673,649 4.771,650 4.89,651 4.92,652 4.868,653 5.818,654 0.694,655 457.71,656 3.401,657 4.949,658 5.808,659 6.698,660 7.585,661 8.487,662 9.386,663 10.293,664 11.199,665 12.111,666 9.5,673 1,674 2,676 1,680 2,681 5,682 1,686 6,687 1,688 16,699 1,704 3,705 42,706 17,707 2,708 29,709 1,710 44,711 17,712 13,713 8,714 4,715 1,717 3,718 4,719 1,721 1,729 14,730 3,733 1,737 1,740 1,744 1,745 1,747 15,748 7,749 3,750 10,751 2,753 1,755 4,760 0.667,761 3,762 1,778 1,779 2,782 1,798 1,801 1,803 2,806 1,807 1,808 1,809 1,811 27,816 1,817 2,818 2,819 1,832 3,833 7.1,834 1,836 1,837 1,841 14.833,842 7.779,843 6.028,844 2.231,847 3.269,848 1.449,849 0.962,850 6.34,851 10.541,852 3.664,853 4.314,854 4.943,855 5.554,856 6.11,857 6.5,858 6.891,859 7.294,860 7.528,861 7.756,862 0.857,863 44,864 10.009,865 4.336,866 8.143,867 18.167,868 14.449,869 2.643,870 71.361,873 1,874 141.253,875 92.881,876 103.275,877 39.149,878 79.047,879 14.96,881 138.835,882 259.449,883 72.281,884 8.396,885 25.217,886 80.588,887 78.244,888 46.43,889 17.104,890 129.482,891 85.103,892 141.253,893 150.202,894 94.007,895 39.149,896 45.954,897 156.213,898 25.145,899 53.902,900 55.89,901 77.526,902 55.934,903 45.954,904 156.213,905 136.367,906 177.984,909 141.253,910 37.961,911 56.819,912 84.59,913 149.941,914 141.253,915 151.328,916 177.984,918 0.582,919 0.344,920 0.181,921 0.102,922 19,923 10,924 0.136,925 6,926 1,927 1.133,928 3.693,929 233.122,930 0.133,931 15,932 128.382,936 20.044,937 8.541,938 4.253,939 0.549,940 149.429,941 7.978,942 4.044,946 0.733,947 1.597,948 81.319,949 470.565,950 38,954 12.504,957 -0.679,960 43.64,961 47.653,962 0.378,963 0.8,964 0.908,965 0.961,966 0.961,967 0.961,968 4.905,969 1.4,970 5.814,971 3.971,972 4.419,973 5.001,974 2.425,975 6.663,976 4.272,977 6.142,978 1.377,979 7.404,980 3.664,981 4.111,982 4.997,984 7.65,985 3.868,986 7.477,987 0.949,988 9.097,989 3.006,990 6.047,991 7.302,992 3.697,993 10.784,994 5.807,995 8.852,996 0.664,997 10.848,998 2.282,999 6.553,1000 8.124,1002 12.59,1003 6.241,1004 10.26,1005 0.471,1006 12.636,1007 1.493,1008 7.986,1009 9.935,1010 5.14,1011 15.259,1012 7.669,1013 11.692,1014 -0.006,1015 14.45,1016 0.903,1017 8.854,1018 11.129,1020 17.407,1021 8.483,1022 13.142,1023 -0.266,1024 16.283,1025 -0.014,1026 10.104,1027 12.757,1028 6.612,1029 19.918,1030 9.717,1031 3.294,1032 -0.44,1033 18.13,1034 -0.551,1035 11.136,1036 14.125,1038 22.219,1039 10.705,1040 2.878,1041 11.539,1042 19.988,1043 -0.847,1044 12.322,1045 15.684,1046 8.09,1047 24.675,1048 11.869,1049 2.728,1050 9.524,1051 21.855,1052 4.67,1053 13.428,1054 17.135,1056 27.047,1057 12.937,1058 2.364,1059 8.648,1060 23.73,1061 3.9,1062 14.596,1063 18.671,1064 9.57,1065 29.486,1066 14.078,1067 2.101,1068 7.429,1069 25.611,1070 3.664,1071 15.737,1072 20.163,1074 31.892,1075 15.185,1076 1.796,1077 5.856,1078 27.497,1079 3.105,1080 16.904,1081 21.693,1082 11.049,1083 34.328,1084 16.322,1085 1.573,1086 5.049,1087 29.388,1088 2.765,1089 18.062,1090 23.206,1092 36.751,1093 17.448,1094 7581,1095 15494,1096 18.611,1097 29.864,1098 43.574,1099 47.308,1100 46.09,1101 43.577,1102 43.192,1103 56.939,1104 6.542,1105 126.727,1106 39.542,1107 5.603,1108 6.038,1109 6.817,1110 5.307,1111 5.294,1112 7.67,1113 4.191,1114 19.207,1115 5.175,1116 16.18,1117 1.503,1118 1.631,1119 1.589,1120 1.503,1121 1.489,1122 1.963,1123 0.226,1124 4.37,1125 1.364,1126 4.134,1127 4.172,1128 6.88,1129 4.012,1130 8.201,1131 4.031,1132 3.893,1133 3.915,1134 4.119,1135 3.855,1136 7.429,1137 3.837,1138 3.624,1139 3.663,1140 3.944,1141 3.385,1142 6.457,1143 3.42,1144 3.497,1145 3.548,1146 3.569,1147 3.265,1148 4.996,1149 3.279,1150 3.25,1151 3.298,1152 3.38,1153 3.012,1154 4.923,1155 3.034,1156 3.021,1157 3.104,1158 3.238,1159 2.915,1160 4.634,1161 2.872,1162 2.893,1163 2.954,1164 3.16,1165 2.789,1166 4.366,1167 2.763,1168 2.877,1169 2.922,1170 2.813,1171 2.615,1172 4.248,1173 2.65,1174 0.163,1175 0.139,1176 0.238,1177 0.147,1178 0.114,1179 4.714,1180 0.161,1181 4.038,1182 0.072,1183 6.907,1184 0.398,1185 4.258,1186 0.109,1187 3.294,1188 4.67,1189 2.095,1190 11.539,1191 3.175,1192 1.956,1193 1.936,1194 1.996,1195 2.066,1196 1.174,1197 2.048,1198 1.841,1199 1.826,1200 1.887,1201 1.912,1202 1.049,1203 1.922,1204 1.498,1205 1.426,1206 1.738,1207 1.788,1208 0.946,1209 1.766,1210 1.461,1211 1.403,1212 1.693,1213 1.742,1214 0.754,1215 1.729,1216 1.205,1217 1.178,1218 1.302,1219 1.494,1220 0.261,1221 1.436,1222 0.995,1223 0.949,1224 1.179,1225 1.243,1226 0.256,1227 1.226,1228 0.868,1229 0.824,1230 1.129,1231 1.149,1232 0.172,1233 1.176,1234 0.855,1235 0.758,1236 1.085,1237 1.015,1238 0.126,1239 1.058,1240 4.078,1242 5.407,1243 2.398,1244 6.932,1245 4.727,1246 8.558,1247 6.823,1248 10.241,1249 3.304,1250 1.692,1251 6.201,1252 15.137,1255 8.767,1256 -0.363,1257 5.044,1258 4.853,1267 29.154,1268 85.632,1269 181.216,1270 205.722,1271 217.722,1272 217.722,1273 217.722,1274 68.247,1275 7.272,1276 88.41,1277 88.41,1278 17,1279 12.626,1280 4.17,1281 3.322,1282 46.543,1283 89,1284 120,1285 0.25,1286 188.852,1287 322.69,1288 452.558,1289 12800,1290 7.1,1291 19.552,1292 0.724,1293 0.609,1294 20.181,1295 16.435,1296 12.918,1297 0.445,1298 0.31,1299 7.712,1300 11.365,1301 7.489,1302 6.157,1303 13.356,1304 8.977,1305 11.669,1306 0.285,1307 0.169,1308 12.426,1309 6.912,1310 9.859,1311 0.179,1312 0.083,1313 10.171,1314 4.56,1315 7.964,1316 0.111,1317 0.044,1318 8.532,1319 3.189,1320 6.314,1321 0.069,1322 0.022,1323 6.491,1324 2.012,1325 0.38,1326 94.181,1327 0.232,1328 25.445,1329 0.728,1330 140,1331 554.546,1332 239.385,1333 566.313,1334 730.5,1335 524,1336 166,1337 471.144,1338 225.954,1339 489.793,1340 717.91,1341 458,1342 5}
{0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,118 45.9,119 1,120 1,123 2,124 1,126 2,127 1,129 1,138 8,139 6,148 4,151 1,163 13,166 2,167 11,170 1,172 3,173 14,176 3,177 12,180 1,182 2,184 13,188 16,191 3,193 3,195 17,199 2,200 15,203 2,205 2,208 19,212 1,213 13,218 10,221 18,224 1,225 8,228 1,230 10,233 12,237 4,240 1,242 2,245 10,248 1,249 1,252 1,253 1,257 4,260 1554,261 24.479,262 24.479,263 24.479,264 24.479,265 24.479,266 21.802,267 28.268,268 13.618,269 25.037,270 20.655,271 20.655,272 20.655,273 20.655,274 20.655,275 16.241,276 43.083,277 6.255,278 21.485,279 4.419,280 2.197,281 0.988,282 0.627,283 0.496,284 0.365,285 4.332,289 1,290 655,291 3.606,293 83.28,294 145.816,295 35.366,297 304.128,298 103.607,299 57.287,300 460.14,301 0.986,302 31.918,305 1,306 0.67,307 1,308 0.8,309 0.5,310 1,311 1,312 0.85,313 75,314 282,315 5.131,316 4.031,317 8.018,318 4.73,319 3.785,320 5.285,321 1.157,322 15.502,323 3.602,324 4.747,325 3.722,326 7.443,327 4.418,328 3.454,329 4.71,330 1.081,331 13.599,332 3.307,333 4.507,334 3.378,335 6.984,336 4.144,337 3.178,338 3.952,339 0.86,340 11.874,341 3.072,342 4.188,343 3.256,344 6.655,345 3.852,346 2.872,347 3.612,348 0.473,349 10.548,350 2.807,351 3.861,352 2.75,353 6.172,354 3.462,355 2.505,356 3.412,357 0.4,358 8.784,359 2.39,360 3.691,361 2.678,362 6.05,363 3.365,364 2.389,365 3.043,366 0.297,367 8.42,368 2.333,369 3.521,370 2.532,371 5.844,372 3.181,373 2.236,374 2.862,376 7.654,377 2.107,378 3.408,379 2.327,380 5.654,381 3.06,382 2.07,383 2.62,385 7.069,386 2.039,387 3.126,388 2.011,389 5.264,390 2.736,391 1.766,392 2.23,394 5.664,395 1.703,396 2.932,397 1.901,398 4.97,399 2.54,400 1.589,401 2.097,403 4.926,404 1.508,405 2.867,406 1.705,407 4.719,408 2.428,409 1.435,410 1.997,411 4.264,412 1.418,413 2.855,414 1.494,415 4.14,416 2.38,417 1.381,418 1.957,419 3.045,420 1.378,421 2.662,422 1.399,423 4.027,424 2.198,425 1.228,426 1.722,427 2.917,428 1.19,429 2.371,430 1.286,431 3.853,432 2.063,433 1.138,434 1.342,435 2.822,436 1.044,437 2.126,438 1.149,439 3.658,440 1.879,441 0.939,442 1.064,443 2.394,444 0.876,445 16.6,446 0.474,447 1.022,448 0.029,449 44.25,450 1.264,451 19.5,452 0.557,453 24.75,454 0.707,455 38.341,456 1.095,457 36.2,458 0.593,459 38.554,460 1.102,461 8.525,462 0.244,463 8.555,464 0.244,465 0.11,466 0.03,467 0.47,471 0.835,472 1.254,473 0.724,474 1.006,475 0.653,476 0.868,477 1.08,478 0.99,479 0.771,480 0.782,481 0.702,482 0.734,483 1.178,484 0.948,485 0.845,486 0.816,487 0.866,488 0.782,489 1.13,490 1.078,491 0.889,492 0.967,493 0.838,494 0.905,495 1.163,496 1.028,497 1.047,498 1.013,499 0.793,500 1.007,501 0.983,502 1.072,503 1.033,504 1.076,505 0.852,506 1.062,507 0.911,508 1.07,509 1.128,510 1.151,511 1.067,512 1.171,513 0.945,514 1.048,515 1.216,516 1.192,517 1.274,518 1.241,519 5.5,520 0.025,521 4.667,522 4.84,523 3.922,524 2.588,525 2.086,526 0.973,527 0.411,528 0.147,529 14300,530 32464,531 2.268,532 42.6,534 18,535 1,537 2,540 3,541 2,542 1.784,543 2.111,544 2.956,545 0.134,550 92.203,551 1.512,552 3.734,553 4.943,554 5.303,555 5.435,556 5.566,557 2.248,558 4.879,559 5.104,560 3.062,561 1821.68,562 9.056,563 24785.1,568 361.775,569 1.549,570 5.058,571 0.131,572 0.006,573 0.069,574 0.057,575 0.04,576 0.027,577 0.024,578 0.015,579 0.012,580 0.009,581 0.39,582 0.5,583 0.75,584 0.74,585 176.229,586 -0.039,587 -0.127,588 0.085,589 -0.022,590 -0.069,591 0.039,592 0.025,593 0.11,594 0.133,595 0.176,596 0.003,597 0.171,598 0.021,599 0.123,600 0.086,601 0.145,602 -0.019,603 0.13,604 -0.05,605 -0.027,606 0.031,607 0.007,608 -0.01,609 0.025,610 -0.078,611 0.018,612 -0.099,613 -0.05,614 -0.007,615 -0.072,616 -0.06,617 -0.083,618 -0.068,619 -0.089,620 0.009,621 -0.08,622 -0.002,623 -0.123,624 -0.134,625 -0.156,626 0.019,627 -0.163,628 -0.054,629 -0.137,630 -0.187,631 -0.192,632 -0.098,633 -0.208,634 2.01,635 6.322,636 0.829,637 25.211,638 1.002,639 1.118,640 2.464,641 6.07,642 0.685,643 3.761,644 4.234,645 4.727,646 5.226,647 5.652,648 6.045,649 6.441,650 6.802,651 7.081,652 7.347,653 5.059,654 0.656,655 466.58,656 3.761,657 5.398,658 6.365,659 7.357,660 8.348,661 9.353,662 10.354,663 11.364,664 12.369,665 13.381,666 6.6,668 1,673 1,674 2,680 8,681 8,686 2,687 2,688 24,694 1,705 61,706 25,707 3,708 42,710 68,711 28,712 18,713 10,714 8,715 1,717 8,718 80,721 1,724 4,727 4,729 19,730 9,733 1,737 1,740 1,747 26,748 5,749 2,750 7,755 4,760 0.125,761 3,775 2,778 3,779 4,780 1,782 6,783 2,784 1,785 7,799 1,802 2,803 1,807 3,811 35,817 2,818 2,819 2,821 3,823 1,833 4.9,836 1,837 2,841 16.583,842 12.067,843 7.347,844 3.789,847 5.329,848 1.503,849 1.089,850 3.859,851 15.919,852 4.025,853 4.787,854 5.612,855 6.453,856 7.231,857 7.931,858 8.645,859 9.319,860 9.871,861 10.431,862 0.667,863 85,864 13.078,865 6.105,866 7.545,867 25.55,868 23.506,869 2.045,870 71.583,874 282.506,875 138.499,876 39.82,878 47.145,881 138.499,882 329.651,883 39.82,884 28.105,885 22.651,886 93.821,887 51.849,888 20.461,889 20.348,890 270.735,892 282.506,893 178.319,894 47.145,897 247.193,898 60.458,899 22,900 53.285,901 125.034,904 282.506,905 86.964,906 138.499,909 282.506,910 34.584,911 107.713,912 36.022,913 47.145,914 282.506,915 86.964,916 138.499,918 0.603,919 0.395,920 0.252,921 0.152,922 43,923 18,924 0.029,925 2,926 10,927 1.586,928 4.034,929 446.328,930 0.69,931 26,932 177.525,936 20.312,937 6.65,938 2.213,939 8.778,940 83.166,941 16.886,946 1.884,947 4.7,948 36.022,949 507.97,950 55,954 13.322,957 0.004,960 61.109,961 68.189,962 0.255,963 0.63,964 0.833,965 0.894,966 0.916,967 0.938,968 5.357,969 2.07,970 6.425,971 7.654,972 4.92,973 5.476,974 2.133,975 7.461,976 4.844,977 6.635,978 1.766,979 8.118,980 7.069,981 4.796,982 5.602,984 8.844,985 4.675,986 8.027,987 1.589,988 9.919,989 5.664,990 6.744,991 7.923,992 2.149,993 12.085,994 6.587,995 9.463,996 1.435,997 11.786,998 4.926,999 7.468,1000 8.919,1002 14.301,1003 7.255,1004 10.937,1005 1.381,1006 13.695,1007 4.264,1008 8.937,1009 10.764,1010 2.286,1011 17.129,1012 8.689,1013 12.438,1014 1.228,1015 15.635,1016 3.045,1017 10.007,1018 12.137,1020 19.656,1021 9.702,1022 13.961,1023 1.138,1024 17.596,1025 2.917,1026 11.334,1027 13.829,1028 2.465,1029 22.381,1030 10.988,1031 3.785,1032 0.939,1033 19.575,1034 2.822,1035 12.541,1036 15.361,1038 25.023,1039 12.139,1040 3.454,1041 15.502,1042 21.568,1043 2.394,1044 13.834,1045 17.009,1046 2.668,1047 27.73,1048 13.386,1049 3.178,1050 13.599,1051 23.573,1052 5.285,1053 15.094,1054 18.606,1056 30.416,1057 14.592,1058 2.872,1059 11.874,1060 25.587,1061 4.71,1062 16.385,1063 20.245,1064 2.888,1065 33.125,1066 15.834,1067 2.505,1068 10.548,1069 27.61,1070 3.952,1071 17.669,1072 21.871,1074 35.831,1075 17.065,1076 2.389,1077 8.784,1078 29.639,1079 3.612,1080 18.965,1081 23.512,1082 3.12,1083 38.547,1084 18.311,1085 2.236,1086 8.42,1087 31.674,1088 3.412,1089 20.262,1090 25.151,1092 41.264,1093 19.555,1094 12834,1095 19467,1096 28.668,1097 41.762,1098 67.299,1099 68.73,1100 71.374,1101 67.01,1102 67.063,1103 87.688,1104 8.536,1105 226.373,1106 64.499,1107 6.131,1108 6.031,1109 7.696,1110 5.862,1111 5.785,1112 8.285,1113 2.315,1114 24.331,1115 5.602,1116 14.98,1117 1.602,1118 1.636,1119 1.699,1120 1.595,1121 1.597,1122 2.088,1123 0.203,1124 5.39,1125 1.536,1126 4.366,1127 4.389,1128 4.351,1129 4.286,1130 7.429,1131 4.299,1132 4.019,1133 4.046,1134 3.986,1135 3.953,1136 5.093,1137 3.957,1138 3.852,1139 3.888,1140 3.781,1141 3.692,1142 4.812,1143 3.707,1144 3.726,1145 3.764,1146 3.658,1147 3.623,1148 4.7,1149 3.624,1150 3.488,1151 3.552,1152 3.401,1153 3.305,1154 4.465,1155 3.324,1156 3.397,1157 3.461,1158 3.272,1159 3.228,1160 4.409,1161 3.23,1162 3.27,1163 3.347,1164 3.134,1165 3.066,1166 4.253,1167 3.067,1168 3.221,1169 3.293,1170 3.042,1171 2.985,1172 4.076,1173 2.985,1174 0.122,1175 0.096,1176 0.191,1177 0.113,1178 0.09,1179 5.131,1180 0.126,1181 4.031,1182 0.028,1183 8.018,1184 0.369,1185 4.73,1186 0.086,1187 3.785,1188 5.285,1189 1.157,1190 15.502,1191 3.602,1192 2.036,1193 2.028,1194 2.08,1195 2.088,1196 1.366,1197 2.075,1198 1.955,1199 1.93,1200 2.053,1201 2.068,1202 1.349,1203 2.07,1204 1.889,1205 1.856,1206 1.955,1207 2.019,1208 1.166,1209 2.003,1210 1.787,1211 1.751,1212 1.944,1213 1.937,1214 1.137,1215 1.944,1216 1.39,1217 1.33,1218 1.675,1219 1.663,1220 0.845,1221 1.656,1222 1.379,1223 1.319,1224 1.604,1225 1.634,1226 0.758,1227 1.632,1228 1.293,1229 1.223,1230 1.577,1231 1.55,1232 0.67,1233 1.553,1234 1.195,1235 1.115,1236 1.54,1237 1.493,1238 0.591,1239 1.517,1240 4.443,1242 5.878,1243 3.434,1244 7.529,1245 6.009,1246 9.284,1247 8.32,1248 11.098,1250 5.922,1256 1.286,1257 6.64,1258 13.258,1260 -0.335,1262 -0.76,1267 40.025,1268 92.203,1269 227.775,1270 301.51,1271 323.51,1272 331.51,1273 339.51,1274 51.729,1275 10.59,1276 69.45,1277 69.45,1278 46,1279 13.834,1280 4.7,1281 3.807,1282 39.627,1283 112,1284 104,1285 0.19,1286 230.101,1287 383.55,1288 553.206,1289 628354,1291 23.637,1292 0.675,1293 0.568,1294 23.637,1295 19.884,1296 17.08,1297 0.407,1298 0.292,1299 12.073,1300 16.441,1301 11.765,1302 9.596,1303 17.08,1304 12.253,1305 16.322,1306 0.24,1307 0.149,1308 16.322,1309 10.137,1310 15.926,1311 0.142,1312 0.077,1313 15.926,1314 8.596,1315 15.835,1316 0.086,1317 0.04,1318 15.835,1319 7.334,1320 14.487,1321 0.051,1322 0.02,1323 14.487,1324 5.703,1325 0.273,1326 106.923,1327 0.187,1328 29.807,1329 0.616,1330 220,1331 539.163,1332 239.789,1333 517.065,1334 750.66,1335 492,1336 290,1337 592.552,1338 312.869,1339 597.473,1340 923.77,1341 568,1342 7.297}
{0 CHEMBL1721885,1 1.672,2 13.219,3 1.477,4 2.182,5 119.219,6 7.501,7 0.314,8 4.185,9 4.306,10 3.74,11 3.66,12 5.304,13 3.661,14 4.749,15 4.924,16 4.121,17 4.065,18 5.87,19 4.049,20 4.994,21 5.19,22 4.166,23 4.207,24 6.128,25 4.159,26 5.082,27 5.314,28 4.121,29 4.214,30 6.167,31 4.135,32 5.078,33 5.306,34 4.098,35 4.128,36 6.304,37 4.069,38 5.032,39 5.27,40 4.038,41 4.095,42 6.228,43 4.026,44 4.95,45 5.189,46 4.002,47 4.053,48 6.049,49 3.982,50 4.921,51 5.134,52 3.934,53 3.971,54 6.219,55 3.912,56 0.129,57 0.935,58 12.267,59 5.279,60 17.348,61 6.821,62 0.457,63 1.484,64 24.332,65 8.676,66 43.105,67 11.737,68 0.745,69 1.768,70 32.893,71 11.091,72 76.178,73 14.938,74 0.645,75 1.804,76 36.882,77 12.412,78 78.284,79 17.496,80 0.989,81 1.7,82 38.43,83 11.551,84 138.129,85 16.051,86 0.998,87 1.624,88 36.999,89 11.059,90 136.547,91 15.668,92 0.68,93 1.529,94 33.085,95 10.501,96 72.144,97 15.142,98 0.893,99 1.494,100 32.436,101 9.999,102 129.414,103 13.339,104 37,105 50,106 0.272,107 0.637,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 0.91,114 -2.31,115 -2.34,116 -2.31,118 39,119 2,124 6,126 1,132 1,133 1,138 3,139 3,140 2,148 2,151 2,163 6,167 2,170 2,172 8,173 7,176 1,177 3,180 1,181 1,182 6,184 8,188 4,191 2,192 1,193 3,195 7,200 3,203 2,204 1,205 4,208 5,212 1,213 4,216 1,218 5,221 4,225 3,228 1,229 1,230 5,233 4,236 1,237 3,240 3,241 1,242 2,245 3,248 1,249 3,254 2,257 1,260 1848,261 21.223,262 21.223,263 21.223,264 21.223,265 21.223,266 19.391,267 27.43,268 12.368,269 21.716,270 17.25,271 17.25,272 17.25,273 17.25,274 17.25,275 14.312,276 32.432,277 5.9,278 18.022,279 4.211,280 1.97,281 0.988,282 0.568,283 0.568,284 0.568,285 4.192,288 1,289 1,290 916,291 3.873,293 171.946,294 218.907,297 145.076,301 2.219,302 48.49,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 71.5,314 423,315 4.619,316 3.668,317 6.845,318 4.246,319 3.256,320 4.332,321 1.058,322 11.258,323 3.22,324 4.49,325 3.636,326 6.721,327 4.136,328 3.146,329 4.111,330 1.058,331 10.906,332 3.113,333 3.83,334 3.004,335 5.706,336 3.555,337 2.629,338 3.258,339 0.86,340 7.539,341 2.437,342 3.66,343 2.972,344 5.487,345 3.399,346 2.421,347 2.903,348 0.8,349 7.378,350 2.358,351 3.587,352 2.95,353 5.451,354 3.262,355 2.293,356 2.626,358 6.677,359 2.216,360 3.323,361 2.546,362 4.967,363 3.048,364 2.109,365 2.56,367 5.747,368 1.966,369 3.196,370 2.495,371 4.912,372 2.883,373 1.917,374 2.351,376 5.55,377 1.826,378 3.087,379 2.204,380 4.775,381 2.782,382 1.804,383 2.149,385 5.012,386 1.753,387 3.032,388 2.075,389 4.706,390 2.634,391 1.639,392 2.111,394 4.753,395 1.619,396 2.707,397 1.951,398 4.375,399 2.331,400 1.429,401 1.732,403 3.768,404 1.306,405 2.419,406 1.554,407 3.644,408 2.242,409 1.311,410 1.412,411 3.007,412 1.188,413 2.357,414 1.256,415 3.577,416 1.952,417 1,418 1.179,419 2.188,420 0.946,421 2,422 1.19,423 3.247,424 1.799,425 0.819,426 1,427 2.136,428 0.799,429 1.625,430 0.939,431 3.146,432 1.438,433 0.483,434 0.519,435 1.121,436 0.457,437 1.511,438 0.82,439 2.92,440 1.085,441 0.113,442 0.149,443 0.285,444 0.108,445 14.719,446 0.46,447 0.929,448 0.029,449 36.25,450 1.133,451 15,452 0.469,453 21.25,454 0.664,455 31.146,456 0.973,457 36.281,458 0.615,459 30.786,460 0.962,461 7.488,462 0.234,463 7.842,464 0.245,465 0.155,467 0.401,470 1,471 0.768,472 1.261,473 0.784,474 1.135,475 0.625,476 0.986,477 0.859,478 1.071,479 0.836,480 0.962,481 0.593,482 0.899,483 1.034,484 1.034,485 1.058,486 1.015,487 0.954,488 1.035,489 0.774,490 1.001,491 0.944,492 1.111,493 0.819,494 1.074,495 1.077,496 0.887,497 0.994,498 0.936,499 1.208,500 0.949,501 0.972,502 0.899,503 0.956,504 0.883,505 1.028,506 0.906,507 0.772,508 0.885,509 0.855,510 0.976,511 0.761,512 0.943,513 1.213,514 1.039,515 1.15,516 1.063,517 1.377,518 1.096,519 7,520 0.18,521 3.778,522 3.431,523 1.814,524 1.022,525 0.88,526 0.638,527 0.43,528 0.274,529 15023,530 43244,531 2.045,532 45.8,533 3,534 17,537 4,538 3,542 1.743,543 1.882,544 3.644,545 1.601,547 1,550 98.652,551 1.672,552 3.913,553 4.895,554 5.315,555 5.315,556 5.315,557 3.082,558 4.813,559 4.969,560 3.863,561 1916.02,562 8.683,563 28585.6,565 1,568 347.076,569 1.505,570 4.914,571 0.2,572 0.007,573 0.076,574 0.069,575 0.039,576 0.023,577 0.021,578 0.016,579 0.012,580 0.009,581 0.471,582 0.17,583 1,584 0.609,585 169.78,586 -0.086,587 -0.109,588 0.026,589 -0.008,590 -0.065,591 0.031,592 -0.043,593 -0.023,594 0.057,595 0.075,596 0.03,597 0.088,598 -0.095,599 0.002,600 -0.12,601 -0.003,602 -0.069,603 -0.057,604 -0.002,605 -0.071,606 -0.005,607 -0.119,608 0.003,609 -0.071,610 -0.029,611 -0.008,612 0.006,613 0.017,614 -0.032,615 0.015,616 0.022,617 0.023,618 0.041,619 0.076,620 0.027,621 0.068,622 0.049,623 -0.01,624 0.105,625 -0.002,626 0.031,627 0.053,628 -0.06,629 -0.081,630 -0.145,631 -0.1,632 -0.054,633 -0.145,634 2.096,635 5.816,636 0.625,637 36,638 1.014,639 1.138,640 1.078,641 1.163,642 0.643,643 3.584,644 3.932,645 4.205,646 4.489,647 4.644,648 4.663,649 4.82,650 4.934,651 4.942,652 5.011,653 7.755,654 0.621,655 442.54,656 3.584,657 5.142,658 5.999,659 6.891,660 7.767,661 8.663,662 9.55,663 10.449,664 11.342,665 12.245,666 6.8,669 1,673 2,674 1,681 3,683 1,686 7,688 11,694 1,704 1,705 59,706 14,707 1,708 35,710 62,711 23,712 10,713 3,714 3,715 4,717 4,718 5,721 2,727 1,729 14,730 9,733 3,737 2,738 1,740 3,744 1,745 1,747 27,748 8,749 4,750 9,755 4,760 0.75,761 4,763 1,775 1,778 2,779 2,782 1,790 1,795 1,796 1,800 1,801 1,802 1,803 3,807 2,809 1,811 32,816 1,817 6,818 2,819 1,821 1,822 1,832 1,833 6.8,834 1,836 2,837 1,841 17,842 10.96,843 6.944,844 3.472,847 2.828,848 1.362,849 0.959,850 6.767,851 10.638,852 3.795,853 4.366,854 4.917,855 5.478,856 5.914,857 6.203,858 6.615,859 7.018,860 7.292,861 7.613,862 0.889,863 50,864 11.977,865 5.266,866 8,867 22.41,868 18.613,869 2.5,870 80,874 270.735,875 112.706,876 55.931,878 103.973,879 14.96,881 112.706,882 374.708,883 70.891,884 17.65,885 53.629,886 80.588,887 70.699,888 44.53,889 20.474,890 270.735,892 270.735,893 168.637,894 118.933,897 285.695,898 50.29,899 53.683,900 91.189,901 67.972,902 9.476,904 285.695,905 159.904,906 112.706,909 270.735,910 57.15,911 58.68,912 52.807,913 118.933,914 270.735,915 174.865,916 112.706,918 0.59,919 0.345,920 0.19,921 0.1,922 24,923 12,924 0.097,925 6,926 1,927 1.1,928 4.303,929 289.601,930 0.1,931 20,932 156,936 22.679,937 9.549,938 4.968,940 158.079,941 4.132,943 3.144,946 2.994,948 95.49,949 558.306,950 43.5,954 25.206,955 1.632,957 -0.296,960 59.832,961 67.153,962 0.284,963 0.665,964 0.832,965 0.903,966 0.903,967 0.903,968 5.067,969 1.804,970 6.004,971 5.55,972 4.615,973 5.053,974 2.069,975 6.838,976 4.542,977 6.273,978 1.639,979 7.581,980 5.012,981 4.29,982 4.966,983 0.325,984 7.781,985 4.213,986 7.589,987 1.429,988 9.258,989 4.753,990 6.232,991 7.206,992 2.025,993 10.91,994 6.115,995 8.94,996 1.311,997 10.992,998 3.768,999 6.711,1000 7.948,1001 0.268,1002 12.717,1003 6.605,1004 10.326,1005 1,1006 12.766,1007 3.007,1008 8.156,1009 9.709,1010 2.041,1011 15.374,1012 8.018,1013 11.738,1014 0.819,1015 14.568,1016 2.188,1017 9.009,1018 10.833,1019 0.188,1020 17.545,1021 8.884,1022 13.171,1023 0.483,1024 16.392,1025 2.136,1026 10.268,1027 12.41,1028 2.087,1029 20.041,1030 10.122,1031 3.256,1032 0.113,1033 18.234,1034 1.121,1035 11.294,1036 13.711,1037 0.125,1038 22.358,1039 11.155,1040 3.146,1041 11.258,1042 20.09,1043 0.285,1044 12.485,1045 15.212,1046 2.152,1047 24.797,1048 12.332,1049 2.629,1050 10.906,1051 21.957,1052 4.332,1053 13.588,1054 16.593,1055 0.082,1056 27.17,1057 13.436,1058 2.421,1059 7.539,1060 23.834,1061 4.111,1062 14.757,1063 18.064,1064 2.229,1065 29.589,1066 14.595,1067 2.293,1068 7.378,1069 25.719,1070 3.258,1071 15.894,1072 19.481,1073 0.054,1074 31.984,1075 15.728,1076 2.109,1077 6.677,1078 27.609,1079 2.903,1080 17.057,1081 20.94,1082 2.315,1083 34.397,1084 16.883,1085 1.917,1086 5.747,1087 29.505,1088 2.626,1089 18.209,1090 22.374,1091 0.035,1092 36.8,1093 18.029,1094 14279,1095 24393,1096 22.887,1097 37.915,1098 53.6,1099 55.464,1100 55.242,1101 52.785,1102 52.738,1103 64.783,1104 7.553,1105 154.651,1106 50.627,1107 5.619,1108 5.668,1109 6.647,1110 5.349,1111 5.256,1112 7.332,1113 2.117,1114 18.421,1115 5.22,1116 18.061,1117 1.531,1118 1.585,1119 1.578,1120 1.508,1121 1.507,1122 1.851,1123 0.216,1124 4.419,1125 1.446,1126 4.086,1127 4.116,1128 4.051,1129 3.991,1130 8.201,1131 4.002,1132 3.94,1133 3.971,1134 3.904,1135 3.84,1136 7.431,1137 3.85,1138 3.828,1139 3.888,1140 3.711,1141 3.614,1142 7.427,1143 3.629,1144 3.59,1145 3.647,1146 3.481,1147 3.377,1148 6.449,1149 3.392,1150 3.465,1151 3.49,1152 3.409,1153 3.317,1154 4.819,1155 3.329,1156 3.241,1157 3.3,1158 3.157,1159 3.024,1160 4.647,1161 3.008,1162 3.202,1163 3.284,1164 2.989,1165 2.947,1166 4.623,1167 2.985,1168 3.111,1169 3.206,1170 2.879,1171 2.941,1172 4.083,1173 2.91,1174 0.132,1175 0.105,1176 0.196,1177 0.121,1178 0.093,1179 4.619,1180 0.124,1181 3.668,1182 0.03,1183 6.845,1184 0.322,1185 4.246,1186 0.092,1187 3.256,1188 4.332,1189 1.058,1190 11.258,1191 3.22,1192 1.891,1193 1.872,1194 1.97,1195 2.002,1196 1.274,1197 1.995,1198 1.766,1199 1.718,1200 1.966,1201 1.97,1202 1.114,1203 1.97,1204 1.708,1205 1.672,1206 1.852,1207 1.871,1208 1.06,1209 1.861,1210 1.644,1211 1.598,1212 1.794,1213 1.835,1214 0.983,1215 1.823,1216 1.5,1217 1.443,1218 1.75,1219 1.723,1220 0.873,1221 1.734,1222 1.346,1223 1.302,1224 1.545,1225 1.582,1226 0.825,1227 1.56,1228 1.153,1229 1.064,1230 1.513,1231 1.418,1232 0.612,1233 1.429,1234 1.094,1235 1.024,1236 1.382,1237 1.376,1238 0.551,1239 1.409,1240 4.263,1242 5.602,1243 3.045,1244 7.119,1245 5.533,1246 8.718,1247 7.703,1248 10.363,1250 3.56,1252 13.696,1255 10.286,1256 3.421,1257 5.511,1258 5.301,1260 -0.688,1261 2.102,1267 36.65,1268 98.652,1269 230.856,1270 288.811,1271 313.566,1272 313.566,1273 313.566,1274 82.082,1275 7.81,1276 110.45,1277 110.45,1278 22,1279 12.767,1280 3.907,1281 3.248,1282 52.053,1283 148,1284 158,1285 0.169,1286 222.762,1287 399.33,1288 535.299,1289 29143,1290 1.7,1291 22.828,1292 0.713,1293 0.566,1294 21.957,1295 18.127,1296 15.329,1297 0.438,1298 0.303,1299 10.421,1300 14.566,1301 10.17,1302 8.35,1303 14.936,1304 10.617,1305 14.264,1306 0.285,1307 0.163,1308 13.63,1309 8.143,1310 11.755,1311 0.178,1312 0.088,1313 11.413,1314 5.827,1315 10.057,1316 0.114,1317 0.047,1318 9.845,1319 4.152,1320 7.72,1321 0.075,1322 0.025,1323 7.391,1324 2.626,1325 0.27,1326 97.458,1327 0.209,1328 30.254,1329 0.45,1330 170,1331 578.111,1332 191.152,1333 521.376,1334 690.62,1335 486,1336 201,1337 484.825,1338 221.263,1339 482.895,1340 710.76,1341 454,1342 6.585}
{0 CHEMBL1765781,1 1.538,2 14.714,3 1.371,4 1.878,5 138.684,6 7.176,7 0.308,8 4.289,9 4.426,10 3.828,11 3.791,12 5.335,13 3.773,14 4.857,15 5.053,16 4.184,17 4.205,18 5.864,19 4.16,20 5.134,21 5.372,22 4.212,23 4.343,24 6.114,25 4.255,26 5.147,27 5.394,28 4.172,29 4.316,30 6.124,31 4.226,32 5.149,33 5.395,34 4.19,35 4.337,36 6.182,37 4.243,38 5.136,39 5.381,40 4.13,41 4.336,42 6.104,43 4.22,44 5.112,45 5.374,46 4.033,47 4.231,48 6.11,49 4.113,50 4.966,51 5.22,52 3.92,53 4.062,54 6.026,55 3.965,56 0.03,57 1.046,58 14.319,59 5.491,60 8.957,61 7.893,62 0.309,63 1.682,64 27.542,65 9.129,66 29.175,67 13.689,68 0.464,69 1.99,70 38.38,71 12.701,72 52.411,73 18.864,74 0.39,75 1.943,76 39.528,77 12.776,78 60.724,79 19.077,80 0.571,81 1.96,82 39.62,83 12.898,84 82.228,85 19.237,86 0.423,87 1.925,88 38.566,89 13.849,90 53.387,91 20.249,92 0.447,93 1.763,94 38.874,95 13.134,96 69.903,97 19.394,98 0.444,99 1.512,100 33.779,101 10.601,102 66.541,103 15.704,104 11,105 54,106 0.243,107 0.599,108 0.77,109 0.845,110 0.858,111 0.858,112 3.588,113 0.941,114 -3.02,115 -3.02,116 -2.91,118 39.4,120 4,123 1,124 4,126 1,132 1,133 1,134 1,135 1,138 4,139 1,140 1,141 2,142 1,143 1,151 2,163 7,167 8,170 3,172 3,173 4,176 2,177 8,180 2,181 1,182 4,184 2,188 7,191 1,193 3,195 5,199 1,200 6,203 3,205 2,208 9,212 2,213 4,216 2,217 1,218 2,221 8,224 2,225 4,229 1,230 2,233 6,236 1,237 6,240 1,242 2,245 4,248 2,249 5,252 3,254 1,257 2,260 2322,261 24.11,262 24.11,263 24.11,264 24.11,265 24.11,266 22.074,267 35.476,268 14.211,269 24.581,270 19.202,271 19.202,272 19.202,273 19.202,274 19.202,275 15.954,276 47.942,277 6.676,278 19.915,279 4.507,280 2.261,281 1.174,282 0.701,283 0.617,284 0.617,285 4.295,289 1,290 1136,291 3.317,293 212.996,294 368.107,301 2.31,302 31.594,305 1,306 0.67,307 1,308 1,309 0.5,310 1,311 1,312 0.88,313 75.5,314 515,315 4.376,316 3.654,317 6.519,318 4.018,319 3.061,320 3.919,321 1.058,322 10.253,323 2.961,324 4.256,325 3.488,326 6.279,327 3.972,328 3,329 3.806,330 1.058,331 9.528,332 2.89,333 4.084,334 3.292,335 6.071,336 3.78,337 2.796,338 3.499,339 0.8,340 8.778,341 2.745,342 3.958,343 2.895,344 5.861,345 3.596,346 2.618,347 3.237,348 0.8,349 8.054,350 2.554,351 3.627,352 2.824,353 5.468,354 3.442,355 2.504,356 2.914,357 0.4,358 7.258,359 2.346,360 3.574,361 2.473,362 5.271,363 3.229,364 2.269,365 2.657,367 6.642,368 2.167,369 3.289,370 2.301,371 5.076,372 3.062,373 2.074,374 2.354,376 5.947,377 2.042,378 2.96,379 2.018,380 4.385,381 2.551,382 1.581,383 2.058,385 4.258,386 1.525,387 2.94,388 1.84,389 4.297,390 2.429,391 1.467,392 1.984,394 3.932,395 1.406,396 2.718,397 1.623,398 4.039,399 2.323,400 1.345,401 1.662,403 3.33,404 1.312,405 2.606,406 1.41,407 3.829,408 2.196,409 1.198,410 1.614,411 2.913,412 1.186,413 2.5,414 1.23,415 3.483,416 2.029,417 1.106,418 1.5,419 2.54,420 1.018,421 2.343,422 1.109,423 3.446,424 2,425 1,426 1.337,427 2.317,428 1,429 2,430 1,431 3.414,432 1.972,433 1,434 1,435 2.275,436 0.97,437 1.945,438 0.976,439 3.335,440 1.782,441 0.81,442 0.896,443 2.088,444 0.784,445 16.467,446 0.47,447 0.742,448 0.021,449 43,450 1.229,451 19,452 0.543,453 24,454 0.686,455 31.971,456 0.913,457 38.133,458 0.578,459 34.673,460 0.991,461 8.33,462 0.238,463 8.772,464 0.251,465 0.071,467 0.322,471 0.802,472 1.514,473 0.817,474 1.159,475 0.539,476 1.007,477 0.847,478 1.192,479 0.928,480 1.013,481 0.519,482 0.973,483 0.881,484 1.005,485 0.98,486 1.03,487 0.716,488 1.017,489 1.057,490 1.059,491 0.949,492 1,493 1.042,494 0.966,495 0.893,496 0.929,497 0.944,498 0.938,499 0.805,500 0.942,501 0.668,502 1.009,503 0.955,504 1.125,505 0.678,506 1.091,507 0.868,508 0.968,509 0.895,510 1.019,511 1.023,512 0.978,513 1.191,514 0.997,515 0.961,516 0.987,517 1.454,518 0.956,519 6.5,520 0.166,521 4,522 1.91,523 1.658,524 1.223,525 0.721,526 0.517,527 0.375,528 0.247,529 20779,530 47527,531 2.141,532 47,534 17,535 1,536 2,537 3,539 8,542 1.764,543 2.039,544 3.832,545 0.82,550 101.487,551 1.538,552 3.784,553 4.87,554 5.343,555 5.427,556 5.427,557 3.283,558 4.708,559 5.1,560 4.019,561 2391.46,562 8.935,563 38833.3,568 398.93,569 1.271,570 5.076,571 0.167,572 0.005,573 0.074,574 0.036,575 0.033,576 0.024,577 0.015,578 0.012,579 0.01,580 0.008,581 0.382,582 0.33,583 0.75,584 0.597,585 192.323,586 -0.051,587 -0.249,588 0.06,589 -0.066,590 -0.001,591 0.001,592 0.031,593 -0.026,594 0.006,595 -0.002,596 0.088,597 0.001,598 0.04,599 0.032,600 -0.013,601 -0.037,602 0.096,603 -0.033,604 -0.062,605 -0.072,606 0.034,607 -0.008,608 -0.013,609 0.023,610 0.079,611 0.073,612 0.036,613 0.053,614 0.15,615 0.044,616 0.138,617 -0.022,618 -0.001,619 -0.096,620 0.114,621 -0.074,622 0.099,623 -0.046,624 0.094,625 -0.013,626 0.084,627 0.031,628 0.009,629 -0.065,630 0.052,631 -0.008,632 -0.018,633 0.023,634 2.043,635 5.919,636 0.8,637 42.429,638 1,639 1.135,640 1.787,641 3.193,642 0.653,643 3.689,644 4.007,645 4.29,646 4.533,647 4.71,648 4.804,649 4.942,650 5.024,651 5.124,652 5.187,653 8.574,654 0.62,655 473.64,656 3.689,657 5.231,658 6.084,659 6.956,660 7.822,661 8.696,662 9.567,663 10.443,664 11.316,665 12.193,666 10.6,669 1,671 1,672 1,673 2,676 2,681 6,682 2,686 4,688 12,694 1,699 1,701 1,705 66,706 16,707 1,708 39,710 70,711 26,712 10,713 2,714 4,715 6,717 5,718 5,724 5,727 5,729 16,730 10,733 4,737 2,738 2,740 4,747 31,748 9,749 3,750 9,755 7,760 1,761 2,770 1,776 2,778 2,779 3,790 1,795 2,796 1,800 1,803 5,807 1,811 35,817 8,818 3,821 1,822 2,833 3,836 2,841 17.167,842 11.883,843 7.722,844 4.16,847 2.768,848 1.333,849 0.998,850 7.234,851 11.092,852 3.912,853 4.431,854 4.952,855 5.436,856 5.922,857 6.132,858 6.459,859 6.686,860 6.971,861 7.224,862 0.9,863 53,864 13.008,865 5.593,866 7.676,867 25.181,868 21.097,869 2.176,870 76.167,874 329.591,875 127.859,876 93.852,878 50.29,881 127.859,882 379.881,883 93.852,884 8.396,885 63.63,886 47.381,887 137.58,888 36.228,889 14.099,890 294.278,892 329.591,893 221.711,894 50.29,897 235.422,898 144.459,900 78.558,901 79.338,902 63.815,904 329.591,905 144.142,906 127.859,909 329.591,910 44.94,911 89.169,912 54.032,913 83.861,914 329.591,915 144.142,916 127.859,918 0.579,919 0.345,920 0.184,921 0.094,922 26,923 11,924 0.1,925 7,927 1,928 4.693,929 328.939,931 28,932 171.525,936 23.679,937 10.693,938 5.455,940 144.142,941 10.894,942 8.595,946 2.846,948 54.032,949 601.592,950 49,954 25.289,955 3.173,957 0.11,960 65.97,961 74.889,962 0.254,963 0.626,964 0.806,965 0.884,966 0.898,967 0.898,968 5.165,969 1.581,970 6.057,971 5.947,972 4.691,973 5.118,974 2.044,975 6.849,976 4.623,977 6.336,978 1.467,979 7.603,980 4.258,981 4.205,982 4.796,983 0.57,984 7.695,985 4.114,986 7.625,987 1.345,988 9.248,989 3.932,990 6.271,991 7.174,992 1.945,993 10.777,994 6.133,995 8.946,996 1.198,997 10.95,998 3.33,999 6.635,1000 7.669,1001 0.479,1002 12.447,1003 6.473,1004 10.299,1005 1.106,1006 12.688,1007 2.913,1008 8.12,1009 9.515,1010 1.97,1011 15.018,1012 7.917,1013 11.672,1014 1,1015 14.452,1016 2.54,1017 8.864,1018 10.386,1019 0.346,1020 17.026,1021 8.635,1022 13.06,1023 1,1024 16.233,1025 2.317,1026 10.116,1027 12.001,1028 2.033,1029 19.418,1030 9.85,1031 3.061,1032 0.81,1033 18.026,1034 2.275,1035 11.039,1036 13.069,1037 0.237,1038 21.578,1039 10.744,1040 3,1041 10.253,1042 19.829,1043 2.088,1044 12.193,1045 14.566,1046 2.112,1047 23.905,1048 11.864,1049 2.796,1050 9.528,1051 21.64,1052 3.919,1053 13.203,1054 15.746,1055 0.158,1056 26.136,1057 12.843,1058 2.618,1059 8.778,1060 23.457,1061 3.806,1062 14.318,1063 17.179,1064 2.201,1065 28.441,1066 13.924,1067 2.504,1068 8.054,1069 25.279,1070 3.499,1071 15.37,1072 18.424,1073 0.104,1074 30.708,1075 14.944,1076 2.269,1077 7.258,1078 27.105,1079 3.237,1080 16.471,1081 19.821,1082 2.296,1083 33.008,1084 16.011,1085 2.074,1086 6.642,1087 28.935,1088 2.914,1089 17.545,1090 21.106,1091 0.068,1092 35.293,1093 17.052,1094 19236,1095 29440,1096 26.641,1097 43.086,1098 58.506,1099 60.281,1100 59.103,1101 58.071,1102 58.072,1103 71.459,1104 8.233,1105 164.97,1106 56.112,1107 5.376,1108 5.654,1109 6.135,1110 5.086,1111 5.061,1112 6.919,1113 2.117,1114 17.079,1115 4.961,1116 13.921,1117 1.5,1118 1.546,1119 1.515,1120 1.489,1121 1.489,1122 1.832,1123 0.211,1124 4.23,1125 1.439,1126 4.028,1127 4.073,1128 3.971,1129 3.916,1130 7.434,1131 3.922,1132 3.933,1133 3.98,1134 3.885,1135 3.805,1136 7.424,1137 3.821,1138 3.85,1139 3.904,1140 3.75,1141 3.713,1142 5.006,1143 3.712,1144 3.74,1145 3.799,1146 3.672,1147 3.58,1148 4.725,1149 3.58,1150 3.69,1151 3.742,1152 3.578,1153 3.525,1154 4.52,1155 3.546,1156 3.333,1157 3.416,1158 3.245,1159 3.115,1160 4.368,1161 3.138,1162 3.258,1163 3.319,1164 3.124,1165 3.006,1166 4.234,1167 3.023,1168 3.148,1169 3.24,1170 2.936,1171 2.97,1172 4.184,1173 2.95,1174 0.112,1175 0.094,1176 0.167,1177 0.103,1178 0.078,1179 4.376,1180 0.1,1181 3.654,1182 0.027,1183 6.519,1184 0.263,1185 4.018,1186 0.076,1187 3.061,1188 3.919,1189 1.058,1190 10.253,1191 2.961,1192 1.925,1193 1.899,1194 2.02,1195 2.051,1196 1.295,1197 2.037,1198 1.865,1199 1.832,1200 1.943,1201 2.005,1202 1.211,1203 1.995,1204 1.673,1205 1.61,1206 1.901,1207 1.874,1208 1.169,1209 1.878,1210 1.633,1211 1.583,1212 1.86,1213 1.841,1214 1.047,1215 1.826,1216 1.577,1217 1.507,1218 1.772,1219 1.751,1220 1.01,1221 1.793,1222 1.507,1223 1.434,1224 1.754,1225 1.711,1226 0.871,1227 1.736,1228 1.323,1229 1.254,1230 1.579,1231 1.576,1232 0.76,1233 1.581,1234 1.267,1235 1.176,1236 1.559,1237 1.541,1238 0.571,1239 1.551,1240 4.369,1242 5.687,1243 3.045,1244 7.191,1245 5.209,1246 8.776,1247 7.125,1248 10.405,1250 1.759,1256 9.582,1257 8.358,1260 0.526,1261 5.033,1267 40.901,1268 101.487,1269 249.737,1270 321.42,1271 352.665,1272 358.175,1273 358.175,1274 61.712,1275 8.323,1276 106.25,1277 106.25,1278 28,1279 12.732,1280 4.087,1281 3.459,1282 52.469,1283 182,1284 167,1285 0.138,1286 249.483,1287 442.94,1288 600.498,1289 58755,1291 24.2,1292 0.691,1293 0.57,1294 24.2,1295 19.958,1296 17.102,1297 0.439,1298 0.314,1299 12.06,1300 16.425,1301 11.826,1302 9.781,1303 17.102,1304 12.238,1305 15.14,1306 0.28,1307 0.17,1308 15.14,1309 9.169,1310 13.2,1311 0.183,1312 0.095,1313 13.2,1314 6.844,1315 10.805,1316 0.117,1317 0.054,1318 10.805,1319 4.977,1320 8.264,1321 0.075,1322 0.028,1323 8.264,1324 3.049,1325 0.223,1326 107.243,1327 0.194,1328 32.746,1329 0.361,1330 186,1331 507.05,1332 203.917,1333 492.275,1334 677.36,1335 462,1336 219,1337 502.118,1338 238.168,1339 508.188,1340 743.88,1341 479,1342 6}
{0 CHEMBL1778662,1 1.48,2 10.769,3 4.129,4 17.051,5 106.705,6 6.602,7 0.407,8 4.047,9 4.199,10 3.485,11 3.511,12 5.133,13 3.473,14 4.585,15 4.803,16 3.847,17 3.883,18 5.581,19 3.821,20 4.858,21 5.091,22 3.813,23 4.025,24 5.865,25 3.923,26 5.002,27 5.31,28 3.801,29 4.033,30 5.897,31 3.888,32 4.834,33 5.107,34 3.733,35 3.957,36 5.794,37 3.85,38 4.833,39 5.099,40 3.807,41 4,42 5.798,43 3.88,44 4.867,45 5.121,46 3.643,47 3.989,48 5.881,49 3.852,50 4.902,51 5.227,52 3.579,53 3.901,54 5.762,55 3.729,56 0.091,57 0.805,58 12.733,59 4.545,60 16.984,61 6.881,62 0.182,63 1.21,64 22.314,65 7.523,66 24.294,67 11.625,68 0.378,69 1.435,70 30.212,71 8.6,72 51.843,73 13.956,74 0.404,75 1.48,76 34.887,77 10.366,78 60.451,79 16.978,80 0.406,81 1.368,82 29.665,83 7.641,84 56.287,85 13.226,86 0.305,87 1.376,88 29.007,89 9.374,90 46.963,91 14.87,92 0.404,93 1.398,94 30.534,95 8.416,96 62.717,97 14.019,98 0.358,99 1.264,100 31.517,101 9.527,102 55.793,103 15.623,104 59,105 38,106 0.248,107 0.582,108 0.767,109 0.847,110 0.847,111 0.847,112 3.303,113 0.986,114 -4.93,115 -4.83,116 -4.53,118 35.2,119 5,120 3,126 1,128 1,138 2,139 2,143 3,148 1,151 1,161 1,163 5,167 4,170 3,172 10,173 9,177 3,181 1,182 4,184 3,187 2,188 7,191 1,192 1,193 7,195 6,200 2,203 1,205 1,208 4,213 6,216 2,217 1,218 7,221 11,225 1,229 1,230 3,233 4,236 1,237 6,240 1,242 3,245 8,249 1,252 1,254 3,257 3,260 1174,261 16.558,262 16.558,263 16.558,264 16.558,265 16.558,266 15.043,267 27.268,268 9.634,269 16.89,270 13.277,271 13.277,272 13.277,273 13.277,274 13.277,275 10.912,276 46.628,277 4.529,278 13.834,279 4.275,280 2.28,281 1.177,282 0.7,283 0.7,284 0.7,285 3.959,288 1,289 1,290 566,291 4.243,293 81.797,294 98.461,301 1.828,302 23.883,304 1,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 56,314 280,315 4.452,316 4.085,317 6.487,318 4.056,319 3.099,320 4.141,321 2.035,322 10.107,323 2.97,324 4.099,325 3.332,326 6.394,327 4.029,328 3.061,329 3.712,330 0.4,331 9.951,332 2.952,333 4.098,334 3.113,335 5.65,336 3.668,337 2.716,338 3.099,339 0.4,340 7.878,341 2.585,342 3.642,343 2.857,344 5.249,345 3.334,346 2.369,347 2.932,349 6.59,350 2.283,351 3.475,352 2.545,353 5.204,354 3.166,355 2.216,356 2.631,358 6.44,359 2.101,360 3.212,361 2.387,362 4.783,363 2.803,364 1.835,365 2.227,367 5.151,368 1.772,369 3.079,370 1.988,371 4.56,372 2.638,373 1.693,374 2.172,376 4.739,377 1.595,378 2.983,379 1.865,380 3.638,381 2.125,382 1.144,383 1.484,385 2.521,386 1.12,387 2.208,388 1.227,389 3.428,390 1.874,391 0.92,392 1.105,394 1.958,395 0.875,396 2.13,397 0.965,398 3.271,399 1.707,400 0.725,401 1.064,403 1.703,404 0.711,405 1.536,406 0.759,407 2.908,408 0.915,409 -0.037,410 -0.047,411 -0.075,412 -0.035,413 1.114,414 0.109,415 2.722,416 0.858,417 -0.075,418 -0.097,419 -0.198,420 -0.07,421 0.952,422 0.001,423 2.62,424 0.631,425 -0.341,426 -0.373,427 -0.766,428 -0.331,429 0.751,430 -0.214,431 2.258,432 0.615,433 -0.352,434 -0.474,435 -0.855,436 -0.341,437 0.447,438 -0.42,439 2.044,440 0.21,441 -0.761,442 -0.894,443 -1.837,444 -0.737,445 12.233,446 0.471,447 0.911,448 0.035,449 30,450 1.154,451 14,452 0.538,453 16,454 0.615,455 26.699,456 1.027,457 29.767,458 0.551,459 20.812,460 0.8,461 5.337,462 0.205,463 6.838,464 0.263,465 0.264,466 0.041,467 0.286,471 0.968,472 1.398,473 0.961,474 1.207,475 0.823,476 1.103,477 0.681,478 1.247,479 0.762,480 1.112,481 0.479,482 0.972,483 1.562,484 1.231,485 1.264,486 1.16,487 1.296,488 1.183,489 0.648,490 0.935,491 0.747,492 0.875,493 0.584,494 0.833,495 1.324,496 0.909,497 1.129,498 0.85,499 1.294,500 0.932,501 0.635,502 1.104,503 0.844,504 1.054,505 0.678,506 0.99,507 1.438,508 1.102,509 1.395,510 1.171,511 1.568,512 1.257,513 0.545,514 0.826,515 0.704,516 0.804,517 0.601,518 0.776,519 8,520 0.09,521 2.444,522 2.319,523 1.124,524 1.181,525 0.507,526 0.499,527 0.331,528 0.368,529 7360,530 18078,531 1.901,532 51.9,533 5,534 3,537 4,538 3,539 13,542 1.692,543 1.724,544 3.357,545 1.735,547 1,550 79.938,551 1.48,552 3.475,553 4.578,554 5.055,555 5.055,556 5.055,557 2.863,558 4.008,559 4.667,560 3.595,561 1168.44,562 8.1,563 15074,565 1,567 1,568 310.764,569 1.725,570 4.583,571 0.296,572 0.005,573 0.064,574 0.068,575 0.033,576 0.037,577 0.014,578 0.018,579 0.012,580 0.015,581 0.564,583 1,584 1.879,585 128.463,586 -0.031,587 -0.053,588 0.017,589 -0.002,590 -0.072,591 0.008,592 0.192,593 -0.096,594 0.209,595 -0.006,596 0.181,597 0.086,598 -0.255,599 -0.139,600 -0.249,601 -0.145,602 -0.203,603 -0.196,604 0.165,605 -0.027,606 0.218,607 0.083,608 0.164,609 0.143,610 -0.231,611 0.152,612 -0.12,613 0.088,614 -0.219,615 0.015,616 0.16,617 -0.085,618 0.114,619 -0.014,620 0.122,621 0.033,622 -0.304,623 -0.019,624 -0.393,625 -0.195,626 -0.335,627 -0.29,628 0.173,629 0.032,630 0.247,631 0.148,632 0.168,633 0.201,634 1.905,635 3.825,636 0.423,637 26.562,638 0.994,639 1.144,640 3.698,641 13.674,642 0.627,643 3.332,644 3.664,645 3.761,646 3.989,647 4.06,648 4.19,649 4.159,650 4.304,651 4.304,652 4.331,653 6.591,654 0.586,655 356.53,656 3.332,657 4.875,658 5.673,659 6.55,660 7.367,661 8.246,662 9.073,663 9.952,664 10.786,665 11.666,666 11.1,671 1,674 2,675 1,676 2,681 2,682 2,683 1,686 6,688 11,689 1,699 2,705 54,706 12,708 27,710 55,711 19,712 8,717 2,718 2,721 5,727 4,728 1,729 8,730 10,731 1,744 1,747 28,748 6,749 4,750 7,755 6,760 1,761 1,764 1,771 1,773 1,778 1,779 1,801 1,803 2,807 5,811 26,816 1,817 3,818 2,821 1,823 1,825 1,829 1,831 1,833 1.9,834 1,841 15.083,842 11.05,843 5.681,844 3.279,847 2.044,848 1.306,849 0.89,850 6.633,851 8.721,852 3.57,853 4.107,854 4.555,855 5.11,856 5.401,857 5.7,858 5.925,859 6.312,860 6.539,861 6.828,862 1,863 34,864 9.584,865 3.897,866 7.772,867 18.308,868 14.462,869 2.272,870 59.083,872 1,873 1,874 282.506,875 103.396,876 117.192,878 42.683,881 103.396,882 325.19,883 117.192,884 44.126,885 7.604,886 61.636,887 68.061,888 72.104,889 9.741,890 282.506,892 282.506,893 220.588,894 42.683,897 129.482,898 153.024,899 42.683,900 117.463,901 51.666,902 51.459,904 282.506,905 159.876,906 103.396,909 282.506,910 23.715,911 63.079,912 69.286,913 107.191,914 282.506,915 159.876,916 103.396,918 0.586,919 0.302,920 0.156,921 0.076,922 16,923 9,924 0.145,925 8,927 1,928 3.687,929 200.743,931 11,932 120.211,936 20.224,937 8.528,938 6.301,940 143.213,941 3.73,942 8.71,943 2.879,946 4.24,948 95.368,949 545.778,950 34.5,960 53.658,961 61.766,962 0.257,963 0.604,964 0.796,965 0.878,966 0.878,967 0.878,968 4.834,969 1.144,970 5.714,971 4.739,972 4.344,973 4.792,974 2.295,975 6.512,976 4.262,977 6.066,978 0.92,979 7.276,980 2.521,981 4.205,982 4.718,984 7.6,985 4.074,986 7.384,987 0.725,988 8.937,989 1.958,990 5.994,991 6.931,992 3.566,993 10.497,994 5.828,995 8.728,996 -0.037,997 10.654,998 1.703,999 6.567,1000 7.592,1002 12.31,1003 6.355,1004 10.096,1005 -0.075,1006 12.405,1007 -0.075,1008 7.923,1009 9.352,1010 4.962,1011 14.81,1012 7.675,1013 11.481,1014 -0.341,1015 14.179,1016 -0.198,1017 8.796,1018 10.369,1020 16.907,1021 8.506,1022 12.881,1023 -0.352,1024 15.969,1025 -0.766,1026 9.997,1027 11.935,1028 6.378,1029 19.28,1030 9.668,1031 3.099,1032 -0.761,1033 17.773,1034 -0.855,1035 11.003,1036 13.137,1038 21.495,1039 10.634,1040 3.061,1041 10.107,1042 19.586,1043 -1.837,1044 12.146,1045 14.615,1046 7.797,1047 23.825,1048 11.739,1049 2.716,1050 9.951,1051 21.408,1052 4.141,1053 13.212,1054 15.914,1056 26.089,1057 12.765,1058 2.369,1059 7.878,1060 23.237,1061 3.712,1062 14.336,1063 17.352,1064 9.217,1065 28.403,1066 13.85,1067 2.216,1068 6.59,1069 25.071,1070 3.099,1071 15.429,1072 18.701,1074 30.69,1075 14.904,1076 1.835,1077 6.44,1078 26.91,1079 2.932,1080 16.547,1081 20.122,1082 10.638,1083 32.998,1084 15.983,1085 1.693,1086 5.151,1087 28.753,1088 2.631,1089 17.654,1090 21.498,1092 35.295,1093 17.05,1094 7567,1095 12022,1096 16.701,1097 33.864,1098 41.718,1099 43.261,1100 41.216,1101 39.613,1102 39.552,1103 49.133,1104 5.669,1105 114.078,1106 37.928,1107 5.381,1108 6.085,1109 5.993,1110 5.129,1111 5.099,1112 7.141,1113 4.069,1114 17.024,1115 4.922,1116 17.594,1117 1.545,1118 1.602,1119 1.527,1120 1.467,1121 1.465,1122 1.82,1123 0.21,1124 4.225,1125 1.405,1126 3.999,1127 4.053,1128 3.958,1129 3.864,1130 6.82,1131 3.879,1132 3.869,1133 3.928,1134 3.818,1135 3.697,1136 6.448,1137 3.719,1138 3.791,1139 3.842,1140 3.66,1141 3.667,1142 5.034,1143 3.657,1144 3.587,1145 3.653,1146 3.436,1147 3.428,1148 4.814,1149 3.42,1150 3.242,1151 3.317,1152 3.194,1153 3.052,1154 4.277,1155 3.076,1156 3.205,1157 3.301,1158 3.001,1159 3.002,1160 4.062,1161 2.988,1162 3.12,1163 3.212,1164 2.925,1165 2.919,1166 4.016,1167 2.906,1168 2.997,1169 3.103,1170 2.793,1171 2.765,1172 3.871,1173 2.758,1174 0.165,1175 0.151,1176 0.24,1177 0.15,1178 0.115,1179 4.452,1180 0.153,1181 4.085,1182 0.075,1183 6.487,1184 0.374,1185 4.056,1186 0.11,1187 3.099,1188 4.141,1189 2.035,1190 10.107,1191 2.97,1192 1.898,1193 1.863,1194 2.04,1195 2.04,1196 1.363,1197 2.034,1198 1.788,1199 1.737,1200 1.963,1201 1.948,1202 1.112,1203 1.963,1204 1.598,1205 1.543,1206 1.851,1207 1.79,1208 1.041,1209 1.811,1210 1.581,1211 1.519,1212 1.796,1213 1.785,1214 0.885,1215 1.787,1216 1.342,1217 1.262,1218 1.59,1219 1.63,1220 0.758,1221 1.597,1222 1.225,1223 1.133,1224 1.515,1225 1.469,1226 0.531,1227 1.514,1228 1.114,1229 1.033,1230 1.417,1231 1.363,1232 0.469,1233 1.391,1234 1.006,1235 0.937,1236 1.384,1237 1.254,1238 0.406,1239 1.308,1240 4.007,1242 5.333,1243 2.398,1244 6.81,1245 4.595,1246 8.363,1247 6.529,1248 9.962,1250 9.508,1255 9.825,1256 2.505,1257 6.494,1260 0.138,1262 -0.655,1265 9.478,1266 2.23,1267 31.638,1268 79.938,1269 187.637,1270 247.215,1271 272.989,1272 272.989,1273 272.989,1274 63.143,1275 6.677,1276 109.65,1277 109.65,1278 11,1279 12.212,1280 3.7,1281 3.087,1282 54.915,1283 98,1284 98,1285 0.264,1286 202.508,1287 347.05,1288 485.88,1289 6150,1291 19.32,1292 0.743,1293 0.621,1294 19.32,1295 16.142,1296 12.175,1297 0.451,1298 0.329,1299 8.771,1300 11.731,1301 8.325,1302 7.083,1303 12.175,1304 8.874,1305 11.961,1306 0.315,1307 0.197,1308 11.961,1309 7.471,1310 7.948,1311 0.189,1312 0.098,1313 7.948,1314 4.099,1315 6.69,1316 0.126,1317 0.052,1318 6.69,1319 2.742,1320 4.354,1321 0.076,1322 0.027,1323 4.354,1324 1.531,1325 0.416,1326 76.036,1327 0.245,1328 25.324,1329 0.72,1330 130,1331 346.084,1332 143.231,1333 346.742,1334 468.92,1335 320,1336 145,1337 349.932,1338 157.097,1339 359.022,1340 508.34,1341 333,1342 7.62}
{0 CHEMBL1789941,1 1.454,2 8.217,3 2.741,4 7.514,5 87.719,6 7.473,7 0.577,8 3.83,9 3.964,10 3.419,11 3.379,12 4.917,13 3.361,14 4.393,15 4.579,16 3.766,17 3.812,18 5.342,19 3.761,20 4.662,21 4.912,22 3.726,23 3.893,24 5.519,25 3.793,26 4.671,27 4.931,28 3.794,29 3.896,30 5.617,31 3.814,32 4.649,33 4.893,34 3.712,35 3.876,36 5.675,37 3.777,38 4.555,39 4.837,40 3.475,41 3.656,42 5.585,43 3.543,44 4.166,45 4.425,46 3.14,47 3.392,48 5.114,49 3.28,50 4.06,51 4.274,52 3.265,53 3.408,54 5.073,55 3.326,56 0.041,57 0.682,58 8.241,59 3.401,60 9.986,61 4.712,62 0.131,63 1.111,64 15.972,65 6.023,66 16.474,67 8.592,68 0.168,69 1.289,70 23.327,71 7.929,72 29.134,73 11.904,74 0.319,75 1.31,76 24.085,77 7.725,78 35.496,79 11.607,80 0.191,81 1.284,82 22.816,83 7.672,84 37.649,85 11.491,86 0.341,87 1.111,88 22.197,89 6.431,90 46.383,91 9.929,92 0.152,93 0.763,94 14.408,95 4.675,96 28.391,97 7.021,98 0.105,99 0.743,100 11.964,101 4.393,102 18.547,103 6.355,104 4,105 36,106 0.253,107 0.65,108 0.797,109 0.84,110 0.84,111 0.84,112 3.189,113 0.93,114 -3.52,115 -3.5,116 -3.34,118 41.5,120 5,121 1,126 1,138 1,139 2,141 1,142 1,144 1,147 2,151 1,154 1,159 1,163 6,166 1,167 8,170 1,172 2,173 7,177 6,184 3,187 3,188 8,191 1,193 1,195 4,199 1,200 6,208 2,212 2,213 5,216 2,221 4,225 2,233 4,236 1,237 5,242 2,245 4,249 3,254 2,257 2,260 634,261 16.215,262 16.215,263 16.215,264 16.215,265 16.215,266 14.344,267 6.822,268 9.756,269 16.506,270 12.839,271 12.839,272 12.839,273 12.839,274 12.839,275 10.007,276 4.471,277 4.518,278 13.317,279 3.904,280 1.625,281 0.78,282 0.537,283 0.537,284 0.537,285 3.888,287 1,288 1,289 1,290 419,291 2.828,293 170.596,294 59.764,297 89.897,301 1.338,302 15.978,303 1,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 49,314 189,315 4.587,316 4.046,317 6.708,318 4.141,319 3.169,320 4.516,321 2.308,322 10.904,323 3.079,324 4.226,325 3.197,326 6.498,327 3.961,328 2.991,329 3.803,331 10.176,332 2.904,333 3.822,334 3.047,335 5.787,336 3.498,337 2.526,338 3.076,340 7.9,341 2.452,342 3.452,343 2.526,344 5.228,345 3.085,346 2.119,347 2.582,349 6.277,350 2.044,351 3.369,352 2.156,353 4.594,354 2.625,355 1.661,356 2.322,358 4.488,359 1.598,360 3.048,361 1.721,362 4.13,363 2.479,364 1.548,365 2.077,367 3.65,368 1.438,369 2.878,370 1.548,371 3.907,372 2.216,373 1.255,374 1.857,376 3.132,377 1.202,378 2.5,379 1.345,380 3.404,381 2.076,382 1.09,383 1.5,385 2.231,386 1.073,387 2.395,388 1.107,389 3.312,390 1.947,391 1,392 1.287,394 2.201,395 0.945,396 2.169,397 1,398 3.28,399 1.666,400 0.73,401 1.035,403 1.733,404 0.681,405 1.922,406 0.737,407 3.122,408 1.618,409 0.618,410 0.652,411 1.372,412 0.618,413 1.735,414 0.618,415 3,416 1.389,417 0.447,418 0.618,419 1.129,420 0.42,421 1.618,422 0.443,423 2.786,424 1.273,425 0.315,426 0.42,427 0.628,428 0.301,429 0.902,430 0.204,431 2.429,432 0.402,433 -0.539,434 -0.751,435 -1.225,436 -0.505,437 0.693,438 -0.551,439 2.188,440 0.209,441 -0.743,442 -1.039,443 -1.489,444 -0.705,445 10.9,446 0.474,447 0.393,448 0.017,449 30.5,450 1.326,451 15,452 0.652,453 15.5,454 0.674,455 18.157,456 0.789,457 23.9,458 0.583,459 18.79,460 0.817,461 5.394,462 0.235,463 5.971,464 0.26,465 0.037,467 0.312,471 0.766,472 1.309,473 0.758,474 1.077,475 0.43,476 0.944,477 0.858,478 1.159,479 0.92,480 1.086,481 0.486,482 1.025,483 0.927,484 1.137,485 0.95,486 1.069,487 0.691,488 1.023,489 0.927,490 0.81,491 0.856,492 0.799,493 0.718,494 0.814,495 0.971,496 1.162,497 1.026,498 1.129,499 0.966,500 1.093,501 1.158,502 0.826,503 1.069,504 0.89,505 1.744,506 0.954,507 1.165,508 0.874,509 1.085,510 0.927,511 1.718,512 0.983,513 0.894,514 1.064,515 1.019,516 1.098,517 0.791,518 1.08,519 3,520 0.037,521 2.667,522 1.215,523 0.733,524 0.647,525 0.376,526 0.172,527 0.136,528 0.096,529 5727,530 13930,531 2.196,532 43.9,533 8,534 2,535 2,536 2,537 1,538 2,539 1,542 1.66,543 2.123,544 3.049,545 -0.284,546 1,547 1,548 1,550 59.604,551 1.454,552 3.732,553 4.577,554 4.821,555 4.821,556 4.821,557 2.392,558 3.762,559 4.498,560 3.233,561 817.862,562 7.757,563 9238.71,564 1,565 1,567 1,568 219.66,569 1.121,570 4.483,571 0.115,572 0.004,573 0.074,574 0.037,575 0.02,576 0.02,577 0.016,578 0.01,579 0.006,580 0.005,581 0.308,582 0.33,583 1,584 0.787,585 106.314,586 0.081,587 -0.125,588 0.074,589 -0.046,590 0.165,591 0.003,592 0.035,593 -0.064,594 -0.03,595 -0.078,596 0.037,597 -0.066,598 -0.043,599 -0.179,600 0.016,601 -0.073,602 0.018,603 -0.029,604 0.102,605 0.166,606 0.135,607 0.167,608 0.055,609 0.157,610 -0.037,611 -0.184,612 -0.064,613 -0.146,614 0.006,615 -0.115,616 0.014,617 0.129,618 -0.044,619 0.033,620 -0.207,621 -0.006,622 -0.215,623 0.088,624 -0.107,625 0.053,626 -0.279,628 -0.033,629 -0.032,630 -0.1,631 -0.089,632 0.035,633 -0.101,634 1.167,635 3.18,636 0.826,637 17.149,638 0.998,639 1.134,640 2.291,641 5.25,642 0.673,643 3.296,644 3.611,645 3.951,646 4.263,647 4.357,648 4.489,649 4.625,650 4.71,651 4.71,652 4.787,653 5.368,654 0.641,655 306.41,656 3.296,657 4.828,658 5.7,659 6.589,660 7.478,661 8.373,662 9.267,663 10.164,664 11.061,665 11.959,666 14.6,674 2,675 1,676 3,680 2,681 5,682 3,683 1,686 2,687 1,688 15,705 41,706 16,708 26,710 44,711 17,712 9,717 4,718 5,724 4,725 1,727 6,728 1,729 9,730 7,731 1,743 1,744 1,747 18,748 4,749 1,750 6,755 6,760 0.75,771 1,774 1,775 1,778 3,779 1,782 1,788 1,803 3,811 23,817 5,821 2,825 1,829 1,831 1,841 10.833,842 7.333,843 5.139,844 2.704,847 3.068,848 1.427,849 1.004,850 3.749,851 10.256,852 3.597,853 4.167,854 4.804,855 5.449,856 5.872,857 6.293,858 6.75,859 7.161,860 7.331,861 7.705,862 1,863 33,864 8.479,865 3.648,866 7.623,867 16.561,868 14.166,869 2.123,870 48.833,873 1,874 200.109,875 84.742,876 99.856,881 84.742,882 200.109,883 99.856,885 12.673,886 27.571,887 92.093,888 75.803,889 23.542,890 153.024,892 200.109,893 184.598,897 188.338,898 11.771,900 84.432,901 49.931,902 50.234,904 200.109,905 99.856,906 84.742,909 200.109,910 22.903,911 47.014,912 33.387,913 81.293,914 200.109,915 99.856,916 84.742,918 0.568,919 0.35,920 0.21,921 0.101,922 19,923 7,924 0.091,925 4,926 1,927 1.105,928 3.584,929 191.674,930 0.105,931 19,932 100.042,936 14.267,937 6.043,938 2.59,939 1.817,940 81.293,941 9.272,942 13.183,943 3.103,946 1.85,947 1.967,948 16.786,949 384.706,950 35.5,960 40.912,961 46.481,962 0.271,963 0.697,964 0.854,965 0.9,966 0.9,967 0.9,968 4.834,969 1.09,970 5.666,971 3.132,972 4.29,973 4.852,974 2.456,975 6.503,976 4.221,977 6.03,978 1,979 7.231,980 2.231,981 3.761,982 4.543,984 7.455,985 3.677,986 7.332,987 0.73,988 8.903,989 2.201,990 5.889,991 7.063,992 4.057,993 10.603,994 5.76,995 8.675,996 0.618,997 10.642,998 1.733,999 6.312,1000 7.752,1002 12.43,1003 6.168,1004 10.056,1005 0.447,1006 12.425,1007 1.372,1008 7.808,1009 9.634,1010 5.715,1011 15.058,1012 7.624,1013 11.462,1014 0.315,1015 14.236,1016 1.129,1017 8.636,1018 10.767,1020 17.205,1021 8.432,1022 12.888,1023 -0.539,1024 16.067,1025 0.628,1026 9.902,1027 12.41,1028 7.386,1029 19.668,1030 9.663,1031 3.169,1032 -0.743,1033 17.911,1034 -1.225,1035 10.903,1036 13.744,1038 21.942,1039 10.64,1040 2.991,1041 10.904,1042 19.764,1043 -1.489,1044 12.082,1045 15.294,1046 9.058,1047 24.345,1048 11.787,1049 2.526,1050 10.176,1051 21.625,1052 4.516,1053 13.157,1054 16.718,1056 26.673,1057 12.836,1058 2.119,1059 7.9,1060 23.491,1061 3.803,1062 14.306,1063 18.234,1064 10.731,1065 29.055,1066 13.954,1067 1.661,1068 6.277,1069 25.362,1070 3.076,1071 15.414,1072 19.698,1074 31.406,1075 15.034,1076 1.548,1077 4.488,1078 27.237,1079 2.582,1080 16.552,1081 21.202,1082 12.404,1083 33.782,1084 16.143,1085 1.255,1086 3.65,1087 29.114,1088 2.322,1089 17.675,1090 22.686,1092 36.144,1093 17.238,1094 5381,1095 8528,1096 18.087,1097 27.603,1098 39.944,1099 41.503,1100 39.513,1101 38.945,1102 38.937,1103 51.489,1104 4.616,1105 111.644,1106 37.51,1107 5.535,1108 6.046,1109 6.468,1110 5.219,1111 5.169,1112 7.516,1113 4.616,1114 18.123,1115 5.04,1116 6.146,1117 1.536,1118 1.596,1119 1.52,1120 1.498,1121 1.498,1122 1.98,1123 0.178,1124 4.294,1125 1.443,1126 4.127,1127 4.174,1128 4.094,1129 3.992,1130 6.818,1131 4.012,1132 3.958,1133 4.016,1134 3.884,1135 3.825,1136 5.142,1137 3.825,1138 3.765,1139 3.828,1140 3.661,1141 3.603,1142 4.892,1143 3.616,1144 3.473,1145 3.534,1146 3.382,1147 3.327,1148 4.472,1149 3.33,1150 3.275,1151 3.356,1152 3.202,1153 3.035,1154 4.253,1155 3.067,1156 2.972,1157 3.048,1158 2.871,1159 2.787,1160 3.92,1161 2.795,1162 2.869,1163 2.979,1164 2.675,1165 2.671,1166 3.676,1167 2.635,1168 2.775,1169 2.857,1170 2.583,1171 2.544,1172 3.345,1173 2.571,1174 0.176,1175 0.156,1176 0.258,1177 0.159,1178 0.122,1179 4.587,1180 0.174,1181 4.046,1182 0.089,1183 6.708,1184 0.419,1185 4.141,1186 0.118,1187 3.169,1188 4.516,1189 2.308,1190 10.904,1191 3.079,1192 1.858,1193 1.826,1194 1.968,1195 2.003,1196 1.375,1197 1.982,1198 1.778,1199 1.726,1200 1.888,1201 1.952,1202 1.211,1203 1.943,1204 1.577,1205 1.507,1206 1.86,1207 1.751,1208 1.022,1209 1.793,1210 1.473,1211 1.402,1212 1.64,1213 1.708,1214 0.853,1215 1.697,1216 1.367,1217 1.305,1218 1.608,1219 1.568,1220 0.604,1221 1.585,1222 1.315,1223 1.271,1224 1.459,1225 1.456,1226 0.55,1227 1.453,1228 1.145,1229 1.058,1230 1.287,1231 1.442,1232 0.259,1233 1.414,1234 0.868,1235 0.789,1236 1.089,1237 1.123,1238 0.094,1239 1.12,1240 3.97,1242 5.283,1243 3.434,1244 6.788,1245 5.638,1246 8.389,1247 7.609,1248 10.043,1256 5.413,1260 0.722,1265 9.18,1266 2.326,1267 26.289,1268 59.604,1269 153.03,1270 187.66,1271 197.66,1272 197.66,1273 197.66,1274 30.916,1275 7.188,1276 83.18,1277 83.18,1278 21,1279 12.483,1280 4.087,1281 3.392,1282 31.766,1283 76,1284 62,1285 0.213,1286 161.613,1287 265.4,1288 386.096,1289 11900,1291 15.648,1292 0.68,1293 0.557,1294 15.648,1295 12.813,1296 11.365,1297 0.437,1298 0.31,1299 7.965,1300 10.956,1301 7.841,1302 6.475,1303 11.365,1304 8.061,1305 9.78,1306 0.272,1307 0.171,1308 9.78,1309 6.145,1310 8.732,1311 0.171,1312 0.094,1313 8.732,1314 4.813,1315 7.808,1316 0.112,1317 0.052,1318 7.808,1319 3.656,1320 5.501,1321 0.071,1322 0.026,1323 5.501,1324 1.983,1325 0.326,1326 70.932,1327 0.235,1328 22.279,1329 0.606,1330 124,1331 324.558,1332 134.102,1333 323.385,1334 451.16,1335 304,1336 149,1337 343.124,1338 160.435,1339 347.666,1340 506.56,1341 328,1342 5}
{0 CHEMBL180022,1 1.64,2 15.75,3 5.095,4 25.957,5 155.746,6 8.074,7 0.535,8 4.323,9 4.436,10 3.953,11 3.866,12 5.504,13 3.856,14 4.823,15 4.99,16 4.287,17 4.211,18 5.95,19 4.188,20 5.034,21 5.207,22 4.416,23 4.356,24 6.189,25 4.313,26 5.116,27 5.33,28 4.384,29 4.375,30 6.215,31 4.307,32 5.087,33 5.277,34 4.401,35 4.408,36 6.257,37 4.343,38 5.11,39 5.304,40 4.487,41 4.433,42 6.295,43 4.382,44 5.143,45 5.327,46 4.498,47 4.435,48 6.404,49 4.376,50 5.1,51 5.3,52 4.403,53 4.344,54 6.311,55 4.271,56 0.063,57 0.996,58 12.243,59 5.847,60 13.293,61 7.294,62 0.342,63 1.527,64 24.666,65 9.35,66 31.741,67 11.878,68 0.569,69 1.813,70 33.334,71 11.829,72 56.824,73 14.934,74 0.594,75 1.909,76 38.801,77 13.573,78 68.673,79 17.944,80 0.671,81 1.869,82 38.318,83 13.487,84 71.405,85 17.429,86 0.482,87 1.956,88 36.057,89 13.018,90 59.248,91 17.037,92 0.673,93 1.965,94 39.088,95 13.007,96 100.549,97 16.255,98 0.668,99 1.79,100 42.208,101 13.335,102 93.345,103 17.149,104 54,105 58,106 0.254,107 0.623,108 0.82,109 0.883,110 0.883,111 0.883,112 3.717,113 0.905,114 -2.49,115 -2.52,116 -2.46,118 43.5,119 1,123 2,124 3,132 2,138 8,139 2,140 6,141 2,142 2,151 2,163 5,167 11,170 1,172 6,173 5,176 1,177 9,180 1,182 5,184 4,187 2,188 4,191 2,193 2,195 8,199 2,200 6,203 3,204 1,205 2,208 9,213 11,216 1,221 12,224 1,225 8,228 2,230 3,233 8,236 2,237 8,240 1,242 4,245 7,248 3,249 5,254 2,257 2,260 3800,261 27.101,262 27.101,263 27.101,264 27.101,265 27.101,266 23.885,267 36.005,268 16.333,269 27.862,270 21.167,271 21.167,272 21.167,273 21.167,274 21.167,275 16.155,276 48.297,277 7.659,278 22.361,279 4.469,280 2.092,281 0.815,282 0.41,283 0.41,284 0.41,285 4.412,286 1,289 1,290 1326,291 4.583,294 520.413,298 202.84,301 2.538,302 40.681,305 0.75,306 0.5,307 0.67,308 0.7,309 0.5,310 0.67,311 0.5,312 0.61,313 86.333,314 630,315 4.64,316 4.073,317 6.741,318 4.181,319 3.204,320 4.576,321 2.035,322 11.049,323 3.129,324 4.25,325 3.496,326 6.168,327 3.816,328 2.883,329 3.896,330 1.151,331 9.17,332 2.703,333 4.14,334 3.298,335 6.069,336 3.727,337 2.778,338 3.663,339 1.058,340 8.761,341 2.599,342 3.892,343 3.22,344 5.639,345 3.468,346 2.509,347 3.442,348 0.916,349 7.373,350 2.404,351 3.79,352 2.953,353 5.344,354 3.363,355 2.374,356 3.134,357 0.86,358 6.969,359 2.345,360 3.629,361 2.787,362 5.227,363 3.179,364 2.239,365 2.897,366 0.4,367 6.516,368 2.107,369 3.553,370 2.644,371 5.063,372 3.114,373 2.168,374 2.842,375 0.172,376 6.092,377 2.037,378 3.309,379 2.445,380 4.806,381 3.064,382 2.106,383 2.605,385 5.27,386 1.986,387 3.217,388 2.227,389 4.641,390 2.779,391 1.815,392 2.238,394 5.093,395 1.744,396 3.004,397 2.123,398 4.281,399 2.503,400 1.564,401 2.107,403 3.896,404 1.473,405 2.939,406 2.053,407 4.184,408 2.36,409 1.439,410 1.962,411 3.72,412 1.314,413 2.83,414 1.723,415 3.636,416 2.339,417 1.414,418 1.766,419 3.122,420 1.232,421 2.712,422 1.594,423 3.567,424 2.003,425 1.024,426 1.5,427 2.197,428 0.997,429 2.525,430 1.509,431 3.247,432 1.959,433 1,434 1.357,435 2.136,436 0.956,437 2.5,438 1.244,439 3.208,440 1.916,441 0.972,442 1.258,443 1.951,444 0.909,445 19.114,446 0.478,447 0.886,448 0.022,449 56,450 1.4,451 30,452 0.75,453 26,454 0.65,455 34.223,456 0.856,457 42.086,458 0.61,459 49.468,460 1.237,461 11.336,462 0.283,463 8.035,464 0.201,465 0.154,467 0.309,471 0.812,472 1.347,473 0.661,474 1.053,475 0.589,476 0.927,477 1.113,478 1.073,479 0.756,480 0.854,481 0.61,482 0.818,483 1.153,484 1.14,485 0.956,486 1.028,487 0.886,488 0.994,489 0.955,490 0.926,491 0.848,492 0.911,493 0.862,494 0.891,495 0.94,496 0.913,497 1.058,498 0.981,499 1.136,500 0.952,501 0.996,502 1.081,503 0.816,504 0.923,505 1.059,506 0.889,507 1.393,508 1.024,509 1.151,510 0.945,511 1.792,512 0.987,513 1.184,514 1.015,515 1.235,516 1.086,517 1.258,518 1.026,519 8,520 0.355,521 4,522 2.125,523 2.533,524 1.528,525 1.093,526 0.887,527 0.639,528 0.338,529 26029,530 75280,531 2.036,532 42,534 22,536 2,537 2,539 3,542 1.803,543 1.905,544 3.876,545 0.149,550 113.135,551 1.64,552 4.016,553 5.293,554 5.699,555 5.699,556 5.699,557 3.383,558 5.072,559 5.283,560 4.088,561 3188.76,562 9.348,563 56274.5,568 421.488,569 1.406,570 5.251,571 0.186,572 0.008,573 0.069,574 0.034,575 0.042,576 0.024,577 0.016,578 0.014,579 0.011,580 0.007,581 0.412,582 0.33,583 0.75,584 1.572,585 227.222,586 -0.049,587 -0.194,588 0.03,589 -0.081,590 -0.03,591 -0.017,592 -0.093,593 0.013,594 0.062,595 0.098,596 0.032,597 0.103,598 -0.029,599 -0.095,600 -0.031,601 -0.061,602 -0.027,603 -0.061,604 0.037,605 0.065,606 0.1,607 0.071,608 0.032,609 0.091,610 0.086,611 0.09,612 -0.032,613 0.024,614 -0.013,615 0.024,616 -0.027,617 -0.049,618 0.1,619 0.051,620 0.007,621 0.071,622 -0.166,623 0.017,624 -0.08,625 0.026,626 -0.18,627 -0.058,628 -0.001,629 -0.04,630 -0.028,631 -0.072,632 0.026,633 -0.049,634 1.964,635 5.613,636 0.55,637 59.85,638 1.008,639 1.124,640 1.264,641 1.598,642 0.687,643 3.784,644 4.078,645 4.317,646 4.575,647 4.852,648 4.977,649 5.13,650 5.313,651 5.447,652 5.485,653 8.962,654 0.658,655 557.1,656 3.784,657 5.313,658 6.146,659 7.013,660 7.871,661 8.749,662 9.621,663 10.505,664 11.386,665 12.276,666 8.7,669 1,673 1,674 1,675 1,676 2,680 2,681 10,682 2,686 8,688 23,689 1,699 1,703 2,704 1,705 69,706 26,707 2,708 43,710 72,711 30,712 20,713 7,714 5,715 3,717 4,718 5,719 1,721 1,728 1,729 23,730 6,733 2,737 1,738 2,740 1,747 29,748 9,749 2,750 10,751 1,755 6,760 0.75,761 3,773 2,779 4,783 1,790 1,795 2,800 1,803 3,807 3,808 1,811 40,817 3,818 2,819 2,822 1,825 1,829 1,831 1,832 1,833 4.3,836 1,838 2,841 21,842 13.443,843 9.056,844 4,847 4.651,848 1.551,849 0.969,850 10.068,851 13.085,852 4.086,853 4.659,854 5.242,855 5.83,856 6.444,857 6.803,858 7.251,859 7.731,860 8.173,861 8.415,862 0.909,863 62,864 14.727,865 6.097,866 7.811,867 27.684,868 21.684,869 2.311,870 92.444,874 317.82,875 203.989,876 103.776,877 39.149,878 47.145,881 203.989,882 404.113,883 103.776,884 25.618,885 29.301,886 94.762,887 103.565,888 125.206,890 294.278,891 39.149,892 317.82,893 307.766,894 47.145,895 39.149,897 282.506,898 82.458,900 113.317,901 141.925,902 91.672,904 317.82,905 150.921,906 243.138,909 317.82,910 48.912,911 141.6,912 52.623,913 150.924,914 317.82,915 150.921,916 243.138,918 0.567,919 0.321,920 0.174,921 0.101,922 24,923 12,924 0.153,925 11,926 1,927 1.091,928 4.906,929 386.957,930 0.091,931 22,932 208.877,936 29.007,937 13.884,938 7.791,939 1.217,940 150.921,941 17.568,942 8.696,946 4.116,948 36.022,949 711.879,950 58.5,954 12.613,955 3.245,957 -0.297,960 69.52,961 77.544,962 0.268,963 0.657,964 0.867,965 0.933,966 0.933,967 0.933,968 5.312,969 2.106,970 6.116,971 6.092,972 4.762,973 5.347,974 2.861,975 6.897,976 4.66,977 6.52,978 1.815,979 7.654,980 5.27,981 4.29,982 5.121,983 0.325,984 7.743,985 4.141,986 7.82,987 1.564,988 9.291,989 5.093,990 6.323,991 7.555,992 3.77,993 10.836,994 6.14,995 9.155,996 1.439,997 10.989,998 3.896,999 6.661,1000 8.168,1001 0.393,1002 12.525,1003 6.432,1004 10.52,1005 1.414,1006 12.725,1007 3.72,1008 8.154,1009 10.068,1010 5.023,1011 15.143,1012 7.899,1013 11.909,1014 1.024,1015 14.489,1016 3.122,1017 8.885,1018 11.102,1019 0.384,1020 17.206,1021 8.59,1022 13.317,1023 1,1024 16.274,1025 2.197,1026 10.155,1027 12.772,1028 6.395,1029 19.662,1030 9.836,1031 3.204,1032 0.972,1033 18.076,1034 2.136,1035 11.087,1036 14.032,1037 0.351,1038 21.898,1039 10.735,1040 2.883,1041 11.049,1042 19.891,1043 1.951,1044 12.265,1045 15.601,1046 7.802,1047 24.3,1048 11.891,1049 2.778,1050 9.17,1051 21.717,1052 4.576,1053 13.299,1054 16.981,1055 0.312,1056 26.618,1057 12.899,1058 2.509,1059 8.761,1060 23.552,1061 3.896,1062 14.443,1063 18.508,1064 9.219,1065 29.006,1066 14.022,1067 2.374,1068 7.373,1069 25.396,1070 3.663,1071 15.529,1072 19.951,1073 0.273,1074 31.362,1075 15.087,1076 2.239,1077 6.969,1078 27.247,1079 3.442,1080 16.664,1081 21.464,1082 10.639,1083 33.749,1084 16.203,1085 2.168,1086 6.516,1087 29.103,1088 3.134,1089 17.778,1090 22.94,1091 0.236,1092 36.124,1093 17.297,1094 25305,1095 43287,1096 28.433,1097 47.392,1098 64.58,1099 67.325,1100 65.003,1101 62.683,1102 62.595,1103 83.308,1104 13.185,1105 174.359,1106 59.164,1107 5.473,1108 6.073,1109 6.543,1110 5.248,1111 5.204,1112 7.576,1113 4.069,1114 18.277,1115 5.129,1116 21.907,1117 1.502,1118 1.566,1119 1.512,1120 1.458,1121 1.456,1122 1.937,1123 0.307,1124 4.055,1125 1.376,1126 4.107,1127 4.132,1128 4.095,1129 4.025,1130 7.43,1131 4.036,1132 3.92,1133 3.945,1134 3.986,1135 3.835,1136 6.82,1137 3.837,1138 3.839,1139 3.874,1140 3.799,1141 3.747,1142 5.035,1143 3.749,1144 3.752,1145 3.809,1146 3.675,1147 3.594,1148 4.96,1149 3.604,1150 3.61,1151 3.655,1152 3.546,1153 3.461,1154 4.872,1155 3.475,1156 3.479,1157 3.546,1158 3.349,1159 3.25,1160 4.609,1161 3.25,1162 3.388,1163 3.448,1164 3.326,1165 3.205,1166 4.422,1167 3.209,1168 3.247,1169 3.291,1170 3.244,1171 3.05,1172 4.416,1173 3.062,1174 0.108,1175 0.095,1176 0.157,1177 0.097,1178 0.075,1179 4.64,1180 0.106,1181 4.073,1182 0.047,1183 6.741,1184 0.257,1185 4.181,1186 0.073,1187 3.204,1188 4.576,1189 2.035,1190 11.049,1191 3.129,1192 2.044,1193 2.024,1194 2.09,1195 2.14,1196 1.241,1197 2.127,1198 1.875,1199 1.855,1200 1.973,1201 1.996,1202 1.067,1203 1.992,1204 1.818,1205 1.783,1206 1.919,1207 1.928,1208 1.046,1209 1.93,1210 1.702,1211 1.652,1212 1.902,1213 1.901,1214 1.001,1215 1.907,1216 1.553,1217 1.516,1218 1.799,1219 1.76,1220 0.936,1221 1.765,1222 1.438,1223 1.363,1224 1.673,1225 1.69,1226 0.709,1227 1.689,1228 1.371,1229 1.305,1230 1.558,1231 1.544,1232 0.638,1233 1.556,1234 1.193,1235 1.147,1236 1.448,1237 1.431,1238 0.601,1239 1.433,1240 4.466,1242 5.765,1244 7.258,1246 8.848,1248 10.495,1250 5.7,1251 6.517,1256 1.309,1257 6.183,1258 11.605,1261 1.948,1265 9.839,1266 2.187,1267 45.422,1268 113.135,1269 277.11,1270 365.224,1271 393.224,1272 393.224,1273 393.224,1274 86.834,1275 8.434,1276 112.4,1277 112.4,1278 24,1279 12.807,1280 4.755,1281 4.044,1282 73.126,1283 206,1284 248,1285 0.166,1286 286.144,1287 502.5,1288 689.95,1289 62043,1290 1.4,1291 28.485,1292 0.712,1293 0.58,1294 28.985,1295 23.197,1296 19.372,1297 0.451,1298 0.302,1299 12.423,1300 18.312,1301 12.009,1302 10.045,1303 19.66,1304 12.966,1305 17.013,1306 0.293,1307 0.162,1308 17.384,1309 9.398,1310 13.615,1311 0.184,1312 0.081,1313 13.969,1314 5.986,1315 11.259,1316 0.117,1317 0.042,1318 11.592,1319 4.067,1320 9.3,1321 0.073,1322 0.021,1323 9.503,1324 2.713,1325 0.264,1326 124.66,1327 0.188,1328 36.24,1329 0.444,1330 202,1331 636.656,1332 236.478,1333 646.965,1334 867.74,1335 604,1336 233,1337 606.662,1338 264.931,1339 627.993,1340 909.28,1341 587,1342 6.62}
{0 CHEMBL1834657,1 1.729,2 16.316,3 5.343,4 28.544,5 150.96,6 8.124,7 0.439,8 4.336,9 4.459,10 3.971,11 3.804,12 5.442,13 3.8,14 4.879,15 5.072,16 4.342,17 4.18,18 5.938,19 4.158,20 5.081,21 5.27,22 4.563,23 4.381,24 6.169,25 4.338,26 5.209,27 5.41,28 4.553,29 4.472,30 6.303,31 4.366,32 5.284,33 5.532,34 4.47,35 4.393,36 6.35,37 4.293,38 5.126,39 5.363,40 4.354,41 4.275,42 6.234,43 4.19,44 5.007,45 5.219,46 4.257,47 4.22,48 6.099,49 4.128,50 4.962,51 5.174,52 4.186,53 4.148,54 6.065,55 4.078,56 0.103,57 1.031,58 13.148,59 5.647,60 9.627,61 7.538,62 0.636,63 1.567,64 28.915,65 9.087,66 36.473,67 12.417,68 0.737,69 1.85,70 38.147,71 11.546,72 44.725,73 15.787,74 0.883,75 1.955,76 50.077,77 15.381,78 73.06,79 20.563,80 1.071,81 1.948,82 58.945,83 15.877,84 98.424,85 22.305,86 1.064,87 1.739,88 42.02,89 12.197,90 84.59,91 17.271,92 0.71,93 1.526,94 47.449,95 11.795,96 64.041,97 16.015,98 0.76,99 1.498,100 35.715,101 10.455,102 67.558,103 14.042,104 59,105 57,106 0.272,107 0.579,108 0.733,109 0.803,110 0.813,111 0.813,112 3.667,113 0.945,114 -4.31,115 -4.25,116 -4.01,118 37.7,119 1,123 3,124 5,138 6,140 7,143 2,144 1,152 1,163 2,166 3,167 8,170 3,172 3,173 2,176 1,177 4,182 4,184 4,187 3,188 3,191 5,193 2,195 3,200 11,203 1,208 2,212 5,213 8,216 2,217 1,224 1,225 7,233 4,236 2,237 5,240 1,242 2,245 3,248 2,249 4,254 4,260 3000,261 25.695,262 25.695,263 25.695,264 25.695,265 25.695,266 23.31,267 41.542,268 14.812,269 26.816,270 19.95,271 19.95,272 19.95,273 19.95,274 19.95,275 16.22,276 63.434,277 6.723,278 21.646,279 4.38,280 2.429,281 1.446,282 1,283 0.942,284 0.942,285 4.358,286 2,289 1,290 1314,291 4.062,294 573.886,301 2.684,302 37.793,305 0.75,306 0.67,307 0.83,308 0.9,309 1,310 0.83,311 1,312 0.85,313 83.167,314 620,315 4.545,316 3.737,317 6.738,318 4.107,319 3.191,320 4.265,321 1.701,322 10.859,323 2.887,324 4.238,325 3.512,326 6.34,327 3.886,328 2.951,329 3.791,330 0.86,331 9.466,332 2.758,333 4.137,334 3.148,335 6.15,336 3.831,337 2.888,338 3.661,339 0.86,340 9.082,341 2.714,342 3.842,343 2.975,344 5.822,345 3.543,346 2.602,347 3.114,348 0.8,349 7.676,350 2.442,351 3.7,352 2.89,353 5.594,354 3.344,355 2.41,356 3.059,357 0.8,358 7.649,359 2.252,360 3.639,361 2.729,362 5.394,363 3.26,364 2.39,365 2.905,366 0.563,367 6.825,368 2.104,369 3.44,370 2.591,371 5.299,372 3.181,373 2.236,374 2.673,375 0.4,376 6.727,377 2.021,378 3.373,379 2.484,380 5.138,381 3.005,382 2.073,383 2.466,384 0.075,385 6.17,386 1.918,387 3.14,388 2.15,389 4.799,390 2.691,391 1.743,392 2.322,394 5.066,395 1.633,396 2.7,397 1.986,398 4.327,399 2.407,400 1.454,401 1.764,403 4.056,404 1.381,405 2.636,406 1.637,407 3.759,408 2.127,409 1.206,410 1.665,411 2.699,412 1.106,413 2.5,414 1.433,415 3.692,416 2,417 1,418 1.5,419 2.275,420 1,421 2.103,422 1.351,423 3.467,424 1.967,425 1,426 1.07,427 2.275,428 0.965,429 2,430 1.146,431 3.414,432 1.745,433 1,434 1,435 2.131,436 0.683,437 1.97,438 1.038,439 3.414,440 1.655,441 0.756,442 0.863,443 1.925,444 0.659,445 18.229,446 0.48,447 0.921,448 0.024,449 49,450 1.289,451 22.5,452 0.592,453 26.5,454 0.697,455 36.528,456 0.961,457 42.371,458 0.614,459 41.834,460 1.101,461 9.887,462 0.26,463 8.45,464 0.222,465 0.206,467 0.34,471 0.837,472 1.699,473 0.619,474 1.156,475 0.62,476 1.006,477 1.063,478 0.966,479 0.686,480 0.689,481 0.654,482 0.724,483 0.946,484 1.139,485 0.813,486 0.96,487 0.795,488 0.925,489 0.783,490 1.101,491 1.011,492 1.151,493 1.061,494 1.164,495 0.734,496 1.041,497 0.905,498 1.092,499 0.87,500 0.968,501 0.905,502 0.897,503 0.773,504 0.751,505 0.887,506 0.849,507 1.186,508 1.09,509 1.519,510 1.237,511 1.269,512 1.11,513 1.34,514 1.001,515 0.966,516 0.877,517 1.557,518 0.947,519 8,520 0.276,521 4.889,522 2.938,523 2.262,524 1.528,525 0.992,526 0.63,527 0.395,528 0.277,529 24501,530 69799,531 2.022,532 44.9,534 25,536 1,537 2,539 3,542 1.783,543 1.869,544 3.936,545 0.227,550 119.29,551 1.729,552 3.679,553 4.663,554 5.108,555 5.166,556 5.166,557 3.422,558 4.596,559 5.218,560 4.149,561 2916.68,562 9.167,563 50851.9,568 421.488,569 1.49,570 5.165,571 0.195,572 0.008,573 0.086,574 0.046,575 0.039,576 0.028,577 0.019,578 0.013,579 0.009,580 0.007,581 0.45,582 0.17,583 0.75,584 0.877,585 214.934,586 -0.064,587 -0.414,588 0.031,589 -0.164,590 -0.034,591 -0.059,592 -0.037,593 0.186,594 0.092,595 0.23,596 0.07,597 0.189,598 0.016,599 -0.009,600 0.081,601 0.009,602 0.081,603 0.021,604 0.131,605 -0.06,606 -0.004,607 -0.124,608 0.042,609 -0.165,610 0.2,611 -0.117,612 0.126,613 -0.089,614 0.216,615 0.047,616 0.131,617 0.111,618 0.095,619 0.174,620 0.187,621 0.098,622 -0.141,623 -0.086,624 -0.219,625 -0.187,626 -0.088,627 -0.112,628 -0.176,629 0.023,630 -0.072,631 0.07,632 -0.164,633 -0.007,634 2.179,635 6.041,636 0.632,637 50.942,638 1.012,639 1.136,640 3.08,641 9.484,642 0.667,643 3.738,644 4.06,645 4.344,646 4.543,647 4.771,648 4.812,649 4.86,650 4.89,651 4.97,652 5.088,653 9.307,654 0.635,655 560.54,656 3.738,657 5.283,658 6.138,659 7.009,660 7.877,661 8.752,662 9.624,663 10.5,664 11.373,665 12.251,666 10.1,669 1,672 1,673 2,674 1,676 2,681 7,682 2,686 9,688 18,699 1,701 1,703 2,704 2,705 69,706 19,707 2,708 41,710 72,711 26,712 16,713 7,714 5,717 4,718 4,719 2,720 1,721 1,729 17,730 9,733 1,737 1,740 1,747 31,748 10,749 2,750 12,751 2,755 7,760 1,761 3,774 1,779 4,800 1,803 4,807 4,808 2,811 38,817 5,818 2,819 2,822 3,832 2,833 4.3,836 1,838 2,841 20.333,842 13.619,843 8.611,844 4.002,847 3.383,848 1.411,849 0.962,850 9.784,851 11.607,852 3.951,853 4.516,854 5.051,855 5.552,856 6.066,857 6.211,858 6.43,859 6.711,860 6.984,861 7.325,862 0.909,863 64,864 14.016,865 5.817,866 7.747,867 26.581,868 21.034,869 2.247,870 85.389,874 341.362,875 149.682,876 78.966,877 78.297,878 47.145,881 149.682,882 466.804,883 78.966,884 38.988,885 31.664,886 56.857,887 70.487,888 80.636,889 8.932,890 329.591,891 78.297,892 341.362,893 228.648,894 47.145,895 78.297,897 306.049,898 82.458,900 70.242,901 124.834,902 111.868,904 341.362,905 126.11,906 227.98,909 341.362,910 45.218,911 113.837,912 36.022,913 159.013,914 341.362,915 126.11,916 227.98,918 0.58,919 0.358,920 0.184,921 0.1,922 25,923 13,924 0.111,925 8,927 1,928 4.757,929 358.627,931 24,932 181.421,936 28.513,937 13.04,938 6.754,940 126.11,941 12.832,942 8.524,946 4.08,948 36.022,949 695.452,950 51,954 13.041,957 -0.513,960 69.829,961 78.402,962 0.283,963 0.602,964 0.763,965 0.836,966 0.846,967 0.846,968 5.201,969 2.073,970 6.129,971 6.727,972 4.745,973 5.204,974 2.454,975 6.942,976 4.585,977 6.395,978 1.743,979 7.7,980 6.17,981 4.369,982 5.027,983 1.494,984 7.854,985 4.099,986 7.7,987 1.454,988 9.368,989 5.066,990 6.354,991 7.343,992 2.739,993 10.93,994 6.049,995 9.038,996 1.206,997 11.09,998 4.056,999 6.781,1000 7.951,1001 2.523,1002 12.619,1003 6.346,1004 10.406,1005 1,1006 12.847,1007 2.699,1008 8.231,1009 9.772,1010 3.458,1011 15.229,1012 7.769,1013 11.793,1014 1,1015 14.627,1016 2.275,1017 9.018,1018 10.748,1019 3.619,1020 17.257,1021 8.427,1022 13.197,1023 1,1024 16.423,1025 2.275,1026 10.261,1027 12.365,1028 4.377,1029 19.706,1030 9.63,1031 3.191,1032 0.756,1033 18.233,1034 2.131,1035 11.221,1036 13.538,1037 4.719,1038 21.898,1039 10.469,1040 2.951,1041 10.859,1042 20.054,1043 1.925,1044 12.383,1045 15.058,1046 5.377,1047 24.288,1048 11.575,1049 2.888,1050 9.466,1051 21.883,1052 4.265,1053 13.427,1054 16.343,1055 5.808,1056 26.563,1057 12.507,1058 2.602,1059 9.082,1060 23.72,1061 3.791,1062 14.56,1063 17.815,1064 6.41,1065 28.933,1066 13.569,1067 2.41,1068 7.676,1069 25.563,1070 3.661,1071 15.646,1072 19.164,1073 6.887,1074 31.252,1075 14.55,1076 2.39,1077 7.649,1078 27.413,1079 3.114,1080 16.772,1081 20.614,1082 7.458,1083 33.617,1084 15.593,1085 2.236,1086 6.825,1087 29.267,1088 3.059,1089 17.88,1090 22,1091 7.96,1092 35.96,1093 16.599,1094 23569,1095 40289,1096 26.759,1097 46.017,1098 60.772,1099 63.042,1100 64.294,1101 60.698,1102 60.498,1103 75.188,1104 12.12,1105 174.522,1106 55.409,1107 5.545,1108 5.737,1109 6.289,1110 5.191,1111 5.191,1112 7.265,1113 2.972,1114 18.369,1115 4.887,1116 22.696,1117 1.482,1118 1.538,1119 1.568,1120 1.48,1121 1.476,1122 1.834,1123 0.296,1124 4.257,1125 1.351,1126 4.007,1127 4.052,1128 4.126,1129 3.892,1130 7.43,1131 3.9,1132 3.933,1133 3.952,1134 3.928,1135 3.848,1136 5.075,1137 3.852,1138 3.844,1139 3.898,1140 3.799,1141 3.66,1142 5.007,1143 3.688,1144 3.74,1145 3.798,1146 3.636,1147 3.575,1148 4.743,1149 3.58,1150 3.483,1151 3.542,1152 3.603,1153 3.212,1154 4.708,1155 3.249,1156 3.381,1157 3.469,1158 3.425,1159 3.18,1160 4.539,1161 3.173,1162 3.307,1163 3.355,1164 3.233,1165 3.03,1166 4.441,1167 3.047,1168 3.209,1169 3.286,1170 3.193,1171 2.952,1172 4.354,1173 2.957,1174 0.111,1175 0.091,1176 0.164,1177 0.1,1178 0.078,1179 4.545,1180 0.104,1181 3.737,1182 0.041,1183 6.738,1184 0.265,1185 4.107,1186 0.07,1187 3.191,1188 4.265,1189 1.701,1190 10.859,1191 2.887,1192 1.929,1193 1.892,1194 2.053,1195 2.077,1196 1.322,1197 2.073,1198 1.866,1199 1.861,1200 1.94,1201 2.009,1202 1.075,1203 1.985,1204 1.769,1205 1.712,1206 1.887,1207 1.957,1208 1.06,1209 1.946,1210 1.702,1211 1.642,1212 1.827,1213 1.878,1214 0.92,1215 1.876,1216 1.403,1217 1.318,1218 1.727,1219 1.665,1220 0.864,1221 1.672,1222 1.353,1223 1.285,1224 1.597,1225 1.616,1226 0.825,1227 1.623,1228 1.224,1229 1.164,1230 1.586,1231 1.554,1232 0.616,1233 1.562,1234 1.161,1235 1.08,1236 1.526,1237 1.457,1238 0.583,1239 1.485,1240 4.419,1242 5.74,1244 7.263,1246 8.873,1248 10.526,1250 6.696,1251 12.776,1256 5.272,1257 5.985,1258 10.528,1261 6.167,1267 43.798,1268 119.29,1269 253.855,1270 321.74,1271 352.469,1272 356.469,1273 356.469,1274 77.639,1275 8.224,1276 95.09,1277 95.09,1278 24,1279 12.789,1280 4.322,1281 3.459,1282 68.001,1283 213,1284 246,1285 0.152,1286 277.538,1287 483.61,1288 668.953,1289 51801,1290 2.9,1291 27.233,1292 0.717,1293 0.613,1294 28.233,1295 23.306,1296 18.337,1297 0.447,1298 0.315,1299 11.959,1300 16.85,1301 11.528,1302 9.593,1303 18.915,1304 12.909,1305 16.025,1306 0.281,1307 0.165,1308 16.691,1309 9.384,1310 14.294,1311 0.188,1312 0.094,1313 15.194,1314 7.181,1315 11.07,1316 0.119,1317 0.051,1318 11.929,1319 4.71,1320 8.846,1321 0.076,1322 0.026,1323 9.392,1324 2.995,1325 0.248,1326 122.717,1327 0.193,1328 35.081,1329 0.395,1330 196,1331 624.505,1332 249.803,1333 652.218,1334 870.33,1335 610,1336 231,1337 592.988,1338 283.953,1339 619.213,1340 905.84,1341 577,1342 5.959}
{0 CHEMBL185140,1 1.518,2 12.107,3 4.702,4 22.113,5 111.707,6 8.123,7 0.71,8 3.965,9 4.076,10 3.615,11 3.598,12 5.081,13 3.564,14 4.465,15 4.616,16 3.965,17 3.985,18 5.551,19 3.926,20 4.722,21 4.916,22 3.965,23 4.094,24 5.734,25 3.996,26 4.756,27 4.981,28 3.831,29 4.044,30 5.718,31 3.926,32 4.703,33 4.928,34 3.807,35 4.005,36 5.683,37 3.895,38 4.718,39 4.938,40 3.835,41 4.008,42 5.757,43 3.891,44 4.659,45 4.895,46 3.787,47 3.96,48 5.625,49 3.838,50 4.573,51 4.792,52 3.76,53 3.877,54 5.618,55 3.759,56 0.015,57 0.653,58 8.296,59 4.066,60 6.066,61 5.259,62 0.117,63 1.069,64 15.684,65 6.842,66 16.957,67 8.983,68 0.195,69 1.319,70 25.105,71 9.51,72 34,73 12.33,74 0.251,75 1.369,76 27.106,77 10.04,78 34.905,79 13.292,80 0.168,81 1.278,82 23.891,83 9.78,84 32.171,85 13.056,86 0.348,87 1.26,88 26.882,89 10.202,90 45.032,91 13.617,92 0.143,93 1.207,94 24.065,95 9.702,96 30.785,97 13.153,98 0.206,99 1.091,100 23.412,101 8.568,102 38.365,103 11.095,104 5,105 42,106 0.254,107 0.576,108 0.742,109 0.851,110 0.858,111 0.858,112 3.374,113 0.927,114 -4.58,115 -4.51,116 -4.24,118 47.9,120 2,124 1,138 10,139 3,140 2,141 2,147 1,148 1,151 1,163 11,167 7,170 1,172 3,173 14,177 6,182 1,184 10,188 7,191 1,193 1,195 10,200 1,205 1,208 14,212 2,213 3,216 1,218 1,221 17,225 3,230 2,233 12,237 5,242 2,245 9,249 3,254 2,257 7,260 1356,261 19.223,262 19.223,263 19.223,264 19.223,265 19.223,266 16.392,267 20.105,268 11.635,269 19.551,270 15.358,271 15.358,272 15.358,273 15.358,274 15.358,275 11.172,276 27.858,277 5.613,278 15.935,279 4.067,280 2.142,281 1.15,282 0.5,283 0.458,284 0.458,285 4.075,286 1,288 1,289 1,290 738,291 3.24,293 62.675,294 259.076,297 117.952,301 1.908,302 18.668,305 1,306 1,307 1,308 0.6,309 0.5,310 1,311 1,312 0.87,313 58.833,314 339,315 4.641,316 3.596,317 6.753,318 4.171,319 3.199,320 4.603,321 1.907,322 11.09,323 3.112,324 4.016,325 3.287,326 5.649,327 3.61,328 2.635,329 3.618,330 0.522,331 7.611,332 2.566,333 3.963,334 2.96,335 5.484,336 3.582,337 2.611,338 3.476,339 0.149,340 7.388,341 2.533,342 3.59,343 2.653,344 5.341,345 3.22,346 2.251,347 2.917,349 6.669,350 2.201,351 3.51,352 2.538,353 4.966,354 3.089,355 2.139,356 2.792,358 5.797,359 1.997,360 3.367,361 2.241,362 4.819,363 2.937,364 1.956,365 2.673,367 5.448,368 1.875,369 3.242,370 1.902,371 4.73,372 2.755,373 1.804,374 2.551,376 5.055,377 1.659,378 2.86,379 1.519,380 3.729,381 2.352,382 1.419,383 2.003,385 3.041,386 1.321,387 2.697,388 1.312,389 3.592,390 2.219,391 1.228,392 1.786,394 2.814,395 1.214,396 2.5,397 1.161,398 3.57,399 2.003,400 1.018,401 1.5,403 2.569,404 1,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,411 2.275,412 0.998,413 2.415,414 1,415 3.247,416 1.984,417 1,418 1.38,419 2.136,420 0.983,421 1.726,422 0.899,423 3.093,424 1.488,425 0.497,426 0.581,427 1.196,428 0.488,429 1.4,430 0.623,431 2.854,432 1.033,433 0.119,434 0.146,435 0.284,436 0.097,437 1.177,438 0.401,439 2.527,440 0.779,441 -0.202,442 -0.256,443 -0.486,444 -0.195,445 13.748,446 0.491,447 0.571,448 0.02,449 39.75,450 1.42,451 22,452 0.786,453 17.75,454 0.634,455 20.384,456 0.728,457 28.252,458 0.589,459 27.939,460 0.998,461 7.937,462 0.283,463 5.75,464 0.205,465 0.076,467 0.284,471 0.671,472 1.183,473 0.621,474 0.896,475 0.544,476 0.847,477 0.741,478 1.148,479 0.759,480 0.954,481 0.579,482 0.958,483 1.142,484 1.105,485 1.044,486 1.056,487 1.122,488 1.072,489 1.05,490 0.969,491 0.986,492 1.021,493 0.981,494 1.056,495 0.9,496 0.984,497 0.725,498 0.964,499 1.019,500 0.986,501 0.8,502 0.907,503 0.892,504 1.023,505 1.185,506 1.021,507 0.736,508 0.959,509 0.714,510 0.925,511 0.81,512 0.935,513 1.268,514 0.958,515 1.012,516 0.94,517 1.421,518 0.98,519 5,520 0.098,521 2.444,522 1.826,523 1.081,524 0.657,525 0.607,526 0.264,527 0.364,528 0.159,529 10688,530 30257,531 2.137,532 41.7,533 2,534 12,535 1,536 2,537 1,538 2,542 1.71,543 2.049,544 3.56,545 -0.394,550 72.843,551 1.518,552 3.443,553 4.435,554 5.085,555 5.127,556 5.127,557 3.084,558 4.307,559 4.775,560 3.714,561 1403.96,562 8.304,563 19000.1,565 1,568 268.078,569 1.198,570 4.76,571 0.161,572 0.004,573 0.058,574 0.046,575 0.031,576 0.019,577 0.017,578 0.008,579 0.012,580 0.006,581 0.363,582 0.33,583 1,584 0.444,585 142.069,586 -0.023,587 -0.106,588 0.026,589 -0.012,590 -0.024,591 0.016,592 0.032,593 -0.078,594 -0.023,595 -0.055,596 0.037,597 -0.069,598 -0.154,599 -0.097,600 -0.139,601 -0.106,602 -0.143,603 -0.129,604 -0.098,605 0.032,606 -0.116,607 -0.065,608 -0.051,609 -0.087,610 -0.034,611 -0.018,612 0.023,613 -0.003,614 0.018,615 -0.001,616 0.197,617 0.035,618 -0.006,619 -0.037,620 0.03,621 -0.025,622 0.034,623 -0.014,624 0.117,625 0.061,626 0.048,627 0.079,628 -0.139,629 0.007,630 -0.014,631 0.047,632 -0.148,633 0.003,634 1.666,635 5.301,636 0.75,637 29.184,638 0.998,639 1.112,640 3.354,641 11.253,642 0.712,643 3.466,644 3.761,645 4.007,646 4.277,647 4.5,648 4.5,649 4.654,650 4.787,651 4.828,652 4.92,653 7.017,654 0.674,655 389.91,656 3.466,657 4.99,658 5.826,659 6.691,660 7.547,661 8.42,662 9.287,663 10.166,664 11.041,665 11.924,666 6.3,673 1,674 1,676 1,680 2,681 13,682 1,686 4,687 1,688 22,704 1,705 48,706 23,707 2,708 31,710 51,711 23,712 19,713 4,714 8,717 4,718 5,719 1,727 2,729 20,730 3,733 1,737 1,740 1,747 20,748 3,749 1,750 5,751 1,755 3,760 0.75,761 1,773 1,775 1,778 1,779 3,782 1,790 1,803 3,808 1,811 28,817 3,818 1,832 1,833 2.1,836 1,841 13.667,842 8.543,843 6.167,844 2.83,847 3.731,848 1.496,849 1.02,850 5.633,851 11.249,852 3.784,853 4.398,854 4.976,855 5.58,856 6.103,857 6.272,858 6.69,859 7.113,860 7.301,861 7.655,862 1,863 40,864 10.313,865 4.342,866 7.671,867 19.852,868 16.29,869 2.171,870 60.778,873 1,874 223.651,875 151.13,876 36.695,877 39.149,878 25.145,881 151.13,882 287.945,883 36.695,885 25.186,886 103.81,887 70.177,888 35.195,889 13.915,890 188.338,891 39.149,892 223.651,893 187.825,894 25.145,895 39.149,897 223.651,898 25.145,900 45.179,901 125.86,902 55.934,904 223.651,905 61.84,906 190.278,909 223.651,910 29.225,911 123.804,912 18.011,913 81.079,914 223.651,915 61.84,916 190.278,918 0.572,919 0.324,920 0.179,921 0.102,922 20,923 8,924 0.118,925 6,926 1,927 1.095,928 4.124,929 237.129,930 0.095,931 21,932 126.606,936 18.578,937 8.49,938 4.567,939 2.357,940 59.941,941 25.272,942 3.961,946 3.869,947 2.231,948 18.011,949 475.77,950 43,954 12.301,957 0.001,960 47.909,961 53.385,962 0.272,963 0.616,964 0.794,965 0.91,966 0.918,967 0.918,968 4.987,969 1.419,970 5.784,971 5.055,972 4.443,973 5.085,974 2.027,975 6.55,976 4.375,977 6.189,978 1.228,979 7.306,980 3.041,981 3.892,982 4.796,983 1.593,984 7.345,985 3.762,986 7.483,987 1.018,988 8.928,989 2.814,990 5.984,991 7.302,992 2.912,993 10.46,994 5.86,995 8.814,996 1,997 10.611,998 2.569,999 6.275,1000 7.89,1001 3.032,1002 12.176,1003 6.101,1004 10.179,1005 1,1006 12.338,1007 2.275,1008 7.811,1009 9.84,1010 4.038,1011 14.804,1012 7.634,1013 11.57,1014 0.497,1015 14.097,1016 2.136,1017 8.525,1018 10.886,1019 4.409,1020 16.929,1021 8.309,1022 12.982,1023 0.119,1024 15.882,1025 1.196,1026 9.823,1027 12.589,1028 5.251,1029 19.402,1030 9.595,1031 3.199,1032 -0.202,1033 17.687,1034 0.284,1035 10.758,1036 13.879,1037 5.75,1038 21.699,1039 10.495,1040 2.635,1041 11.09,1042 19.51,1043 -0.486,1044 11.955,1045 15.473,1046 6.501,1047 24.124,1048 11.675,1049 2.611,1050 7.611,1051 21.347,1052 4.603,1053 13.002,1054 16.885,1055 7.068,1056 26.488,1057 12.69,1058 2.251,1059 7.388,1060 23.197,1061 3.618,1062 14.163,1063 18.434,1064 7.771,1065 28.899,1066 13.828,1067 2.139,1068 6.669,1069 25.057,1070 3.476,1071 15.265,1072 19.905,1073 8.374,1074 31.289,1075 14.9,1076 1.956,1077 5.797,1078 26.926,1079 2.917,1080 16.416,1081 21.437,1082 9.051,1083 33.696,1084 16.026,1085 1.804,1086 5.448,1087 28.802,1088 2.792,1089 17.545,1090 22.937,1091 9.674,1092 36.095,1093 17.126,1094 10068,1095 17051,1096 21.266,1097 34.182,1098 46.014,1099 47.214,1100 46.616,1101 45.879,1102 45.752,1103 63.053,1104 5.155,1105 126.743,1106 44.086,1107 5.54,1108 5.596,1109 6.555,1110 5.206,1111 5.199,1112 7.603,1113 3.306,1114 18.148,1115 5.112,1116 9.916,1117 1.484,1118 1.523,1119 1.504,1120 1.48,1121 1.476,1122 2.034,1123 0.166,1124 4.088,1125 1.422,1126 4.157,1127 4.19,1128 4.123,1129 4.073,1130 7.429,1131 4.079,1132 3.885,1133 3.924,1134 3.97,1135 3.842,1136 4.969,1137 3.831,1138 3.879,1139 3.908,1140 3.821,1141 3.751,1142 4.906,1143 3.762,1144 3.596,1145 3.641,1146 3.497,1147 3.462,1148 4.887,1149 3.459,1150 3.418,1151 3.473,1152 3.433,1153 3.258,1154 4.358,1155 3.267,1156 3.162,1157 3.216,1158 3.242,1159 3.016,1160 4.224,1161 3.015,1162 2.915,1163 2.983,1164 2.962,1165 2.778,1166 4.055,1167 2.77,1168 2.854,1169 2.925,1170 2.712,1171 2.735,1172 3.83,1173 2.715,1174 0.15,1175 0.116,1176 0.218,1177 0.135,1178 0.103,1179 4.641,1180 0.148,1181 3.596,1182 0.062,1183 6.753,1184 0.358,1185 4.171,1186 0.1,1187 3.199,1188 4.603,1189 1.907,1190 11.09,1191 3.112,1192 1.962,1193 1.936,1194 2.057,1195 2.054,1196 1.249,1197 2.057,1198 1.896,1199 1.873,1200 2.003,1201 1.995,1202 1.196,1203 1.995,1204 1.828,1205 1.788,1206 1.941,1207 1.953,1208 1.037,1209 1.961,1210 1.663,1211 1.618,1212 1.835,1213 1.817,1214 0.94,1215 1.825,1216 1.4,1217 1.348,1218 1.578,1219 1.617,1220 0.748,1221 1.608,1222 1.135,1223 1.092,1224 1.326,1225 1.341,1226 0.473,1227 1.34,1228 0.886,1229 0.836,1230 1.181,1231 1.097,1232 0.221,1233 1.121,1234 0.886,1235 0.821,1236 1.181,1237 1.062,1238 0.218,1239 1.107,1240 4.143,1242 5.442,1243 2.398,1244 6.93,1245 4.844,1246 8.502,1247 7.034,1248 10.12,1251 5.995,1256 1.878,1257 2.914,1267 32.348,1268 72.843,1269 165.243,1270 212.859,1271 244.078,1272 246.078,1273 246.078,1274 40.229,1275 7.518,1276 46.92,1277 46.92,1278 23,1279 12.46,1280 4.585,1281 3.7,1282 42.454,1283 115,1284 120,1285 0.175,1286 202.331,1287 341.38,1288 485.449,1289 19715,1290 2.1,1291 19.347,1292 0.691,1293 0.574,1294 19.847,1295 16.063,1296 13.687,1297 0.442,1298 0.309,1299 9.155,1300 13.071,1301 8.917,1302 7.378,1303 13.975,1304 9.578,1305 12.152,1306 0.289,1307 0.17,1308 12.56,1309 7.146,1310 9.954,1311 0.184,1312 0.092,1313 10.242,1314 4.975,1315 8.301,1316 0.117,1317 0.049,1318 8.468,1319 3.472,1320 6.969,1321 0.078,1322 0.028,1323 7.204,1324 2.523,1325 0.277,1326 87.356,1327 0.217,1328 27.083,1329 0.471,1330 146,1331 391.562,1332 169.59,1333 419.114,1334 566.62,1335 392,1336 169,1337 394.034,1338 186.914,1339 413.615,1340 597.33,1341 390,1342 4.523}
{0 CHEMBL189338,1 1.555,2 10.655,3 4.144,4 17.169,5 115.082,6 7.999,7 0.636,8 4.058,9 4.191,10 3.701,11 3.593,12 5.116,13 3.58,14 4.605,15 4.795,16 4.108,17 4.008,18 5.613,19 3.978,20 4.852,21 5.068,22 4.213,23 4.157,24 5.842,25 4.096,26 4.921,27 5.165,28 4.148,29 4.158,30 5.88,31 4.072,32 4.848,33 5.086,34 4.057,35 4.114,36 5.799,37 4.016,38 4.775,39 5.008,40 4.083,41 4.067,42 5.729,43 3.996,44 4.744,45 4.954,46 4.071,47 4.082,48 5.742,49 3.991,50 4.724,51 4.97,52 3.765,53 3.921,54 5.676,55 3.793,56 0.027,57 0.841,58 9.692,59 4.012,60 8.055,61 5.492,62 0.238,63 1.362,64 19.81,65 6.878,66 18.998,67 9.642,68 0.368,69 1.624,70 28.716,71 9.015,72 31.109,73 12.815,74 0.431,75 1.646,76 33.459,77 9.927,78 40.068,79 14.187,80 0.377,81 1.503,82 32.981,83 10.183,84 39.279,85 14.403,86 0.321,87 1.458,88 26.951,89 8.437,90 29.783,91 12.155,92 0.307,93 1.402,94 26.434,95 8.676,96 29.641,97 12.073,98 0.331,99 1.302,100 27.697,101 8.401,102 37.622,103 12.052,104 10,105 48,106 0.258,107 0.638,108 0.821,109 0.89,110 0.89,111 0.89,112 3.409,113 0.919,114 -5.36,115 -5.25,116 -4.9,118 41.2,119 2,124 3,126 1,138 5,139 1,140 2,141 1,142 1,143 2,148 1,153 1,154 1,163 5,166 3,167 3,170 1,172 2,173 4,176 2,177 5,180 2,182 4,184 4,187 3,188 2,191 1,193 2,195 3,199 1,200 7,203 2,205 2,208 1,212 1,213 7,218 1,221 2,225 7,228 2,233 5,237 6,240 1,245 5,249 3,252 1,257 1,260 1182,261 19.809,262 19.809,263 19.809,264 19.809,265 19.809,266 17.322,267 23.51,268 11.466,269 20.411,270 16.302,271 16.302,272 16.302,273 16.302,274 16.302,275 12.56,276 37.666,277 5.443,278 17.39,279 4.118,280 1.821,281 0.718,282 0.304,283 0.304,284 0.304,285 4.12,286 1,288 1,289 1,290 686,291 2.55,293 49.263,294 279.548,297 88.826,298 98.699,301 2.081,302 19.703,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 61.833,314 309,315 4.736,316 3.349,317 6.851,318 4.202,319 3.266,320 4.811,321 0.8,322 11.432,323 3.055,324 4.335,325 3.232,326 6.411,327 3.919,328 2.973,329 3.998,330 0.4,331 9.76,332 2.805,333 4.127,334 3.086,335 6.193,336 3.785,337 2.853,338 3.784,339 0.4,340 9.221,341 2.657,342 3.798,343 2.569,344 5.915,345 3.43,346 2.472,347 3.16,349 8.157,350 2.365,351 3.586,352 2.4,353 5.375,354 3.122,355 2.173,356 3.02,358 6.691,359 2.06,360 3.312,361 2.331,362 5.04,363 3.074,364 2.155,365 2.481,367 6.043,368 1.977,369 3.232,370 2.222,371 4.841,372 2.793,373 1.879,374 2.38,376 5.104,377 1.641,378 2.916,379 1.569,380 4.273,381 2.448,382 1.475,383 2.096,385 3.881,386 1.435,387 2.804,388 1.535,389 4.202,390 2.382,391 1.425,392 1.948,394 3.716,395 1.361,396 2.583,397 1.344,398 3.931,399 2.258,400 1.314,401 1.593,403 3.173,404 1.235,405 2.337,406 1.32,407 3.685,408 2.042,409 1.107,410 1.264,411 2.531,412 1.032,413 2.235,414 1.031,415 3.473,416 1.775,417 0.857,418 1.149,419 2.135,420 0.783,421 2.139,422 0.83,423 3.398,424 1.716,425 0.78,426 1.098,427 2.056,428 0.724,429 1.66,430 0.7,431 3.092,432 1.302,433 0.405,434 0.49,435 1.018,436 0.341,437 1.247,438 0.136,439 2.746,440 0.827,441 -0.096,442 -0.122,443 -0.257,444 -0.084,445 14.014,446 0.483,447 0.747,448 0.026,449 39.75,450 1.371,451 19,452 0.655,453 20.75,454 0.716,455 24.771,456 0.854,457 30.386,458 0.596,459 28.437,460 0.981,461 7.575,462 0.261,463 6.523,464 0.225,465 0.122,467 0.378,471 0.902,472 1.531,473 0.634,474 1.031,475 0.768,476 0.91,477 0.945,478 1.125,479 0.686,480 0.84,481 0.694,482 0.817,483 1.014,484 1.121,485 0.88,486 0.97,487 0.845,488 0.952,489 1.149,490 0.956,491 0.972,492 0.88,493 1.036,494 0.905,495 0.925,496 0.976,497 1.052,498 1.023,499 1.001,500 0.972,501 1.037,502 0.997,503 0.782,504 0.823,505 0.979,506 0.842,507 1.065,508 1.039,509 1.049,510 1.043,511 1.042,512 1.066,513 1.125,514 1.097,515 1.143,516 1.167,517 1.218,518 1.198,519 5.5,520 0.112,521 3.778,522 1.743,523 1.929,524 0.913,525 0.792,526 0.599,527 0.218,528 0.191,529 10878,530 26821,531 2.171,532 43.1,533 3,534 12,536 2,537 2,539 3,542 1.721,543 2.047,544 3.358,545 0.262,547 1,550 79.296,551 1.555,552 3.851,553 4.954,554 5.368,555 5.368,556 5.368,557 2.876,558 4.582,559 4.827,560 3.554,561 1442.93,562 8.417,563 18888.7,565 1,567 1,568 289.294,569 1.361,570 4.797,571 0.167,572 0.009,573 0.079,574 0.035,575 0.042,576 0.021,577 0.018,578 0.015,579 0.008,580 0.011,581 0.403,582 0.33,583 0.88,584 0.506,585 145.587,586 -0.064,587 -0.323,588 0.042,589 -0.091,590 -0.054,591 -0.013,592 0.056,593 0.016,594 0.086,595 0.075,596 0.113,597 0.084,598 0.045,599 -0.05,600 0.015,601 -0.037,602 0.093,603 -0.027,604 -0.055,605 0.058,606 -0.001,607 0.063,608 0.021,609 0.041,610 0.061,611 -0.004,612 -0.014,613 -0.022,614 0.047,615 0.02,616 -0.047,617 0.039,618 0.085,619 0.118,620 -0.039,621 0.105,622 -0.057,623 0.005,624 -0.072,625 -0.064,626 -0.038,627 -0.111,628 -0.119,629 -0.111,630 -0.185,631 -0.207,632 -0.13,633 -0.233,634 1.008,635 2.295,636 0.862,637 28.837,638 1.002,639 1.132,640 4.134,641 17.092,642 0.686,643 3.526,644 3.892,645 4.22,646 4.533,647 4.804,648 4.956,649 5.159,650 5.375,651 5.529,652 5.642,653 6.395,654 0.651,655 407.95,656 3.526,657 5.094,658 5.974,659 6.876,660 7.773,661 8.681,662 9.585,663 10.496,664 11.405,665 12.319,666 13.7,668 1,672 1,674 2,676 3,680 3,681 7,682 3,686 5,688 21,699 1,701 1,704 1,705 51,706 21,707 1,708 33,710 55,711 21,712 15,713 3,714 3,717 5,718 8,719 1,721 2,724 1,727 1,729 15,730 6,744 1,747 22,748 6,749 2,750 8,751 1,753 1,755 7,760 0.6,770 1,773 1,778 1,779 4,782 1,783 1,799 1,803 3,807 2,808 1,811 29,817 3,818 2,821 1,822 1,832 1,841 14.167,842 9.81,843 6.194,844 3.119,847 4.126,848 1.501,849 1.036,850 4.781,851 12.36,852 3.795,853 4.474,854 5.149,855 5.822,856 6.445,857 6.919,858 7.444,859 7.984,860 8.415,861 8.765,862 1,863 50,864 10.688,865 4.6,866 7.544,867 20.781,868 17.502,869 2.044,870 59.278,872 1,873 1,874 235.422,875 109.117,876 90.789,877 39.149,881 109.117,882 274.571,883 90.789,884 17.65,885 6.317,886 65.392,887 84.233,888 43.056,889 6.8,890 211.88,891 39.149,892 235.422,893 199.906,895 39.149,897 200.109,898 35.313,900 82.801,901 66.748,902 89.505,904 235.422,905 90.789,906 148.266,909 235.422,910 26.419,911 87.108,912 36.022,913 89.505,914 235.422,915 90.789,916 148.266,918 0.591,919 0.354,920 0.196,921 0.106,922 26,923 11,924 0.055,925 3,926 2,927 1.16,928 4.018,929 275.304,930 0.16,931 25,932 138.881,936 18.615,937 7.449,938 3.416,939 2.451,940 89.502,941 13.463,942 14.091,946 4.231,948 36.022,949 474.477,950 43.5,960 51.105,961 57.754,962 0.274,963 0.679,964 0.873,965 0.946,966 0.946,967 0.946,968 5.051,969 1.475,970 5.974,971 5.104,972 4.575,973 5.162,974 0.956,975 6.828,976 4.446,977 6.28,978 1.425,979 7.557,980 3.881,981 4.205,982 5.085,983 0.325,984 7.789,985 3.995,986 7.61,987 1.314,988 9.241,989 3.716,990 6.209,991 7.48,992 0.447,993 10.924,994 5.957,995 8.979,996 1.107,997 10.983,998 3.173,999 6.661,1000 8.271,1001 0.268,1002 12.712,1003 6.325,1004 10.382,1005 0.857,1006 12.762,1007 2.531,1008 8.134,1009 10.14,1010 0.252,1011 15.363,1012 7.756,1013 11.809,1014 0.78,1015 14.567,1016 2.135,1017 8.962,1018 11.335,1019 0.188,1020 17.493,1021 8.501,1022 13.257,1023 0.405,1024 16.391,1025 2.056,1026 10.23,1027 13.002,1028 0.158,1029 19.98,1030 9.72,1031 3.266,1032 -0.096,1033 18.228,1034 1.018,1035 11.232,1036 14.39,1037 0.125,1038 22.262,1039 10.645,1040 2.973,1041 11.432,1042 20.077,1043 -0.257,1044 12.421,1045 15.98,1046 0.103,1047 24.695,1048 11.777,1049 2.853,1050 9.76,1051 21.933,1052 4.811,1053 13.504,1054 17.459,1055 0.082,1056 27.047,1057 12.787,1058 2.472,1059 9.221,1060 23.797,1061 3.998,1062 14.666,1063 19.024,1064 0.067,1065 29.465,1066 13.888,1067 2.173,1068 8.157,1069 25.667,1070 3.784,1071 15.788,1072 20.546,1073 0.054,1074 31.852,1075 14.938,1076 2.155,1077 6.691,1078 27.542,1079 3.16,1080 16.943,1081 22.105,1082 0.043,1083 34.268,1084 16.03,1085 1.879,1086 6.043,1087 29.421,1088 3.02,1089 18.084,1090 23.648,1091 0.035,1092 36.674,1093 17.102,1094 10091,1095 16042,1096 22.482,1097 34.989,1098 50.693,1099 50.761,1100 51.905,1101 50.36,1102 50.269,1103 66.546,1104 3.2,1105 149.836,1106 46.943,1107 5.736,1108 5.349,1109 6.403,1110 5.283,1111 5.266,1112 7.811,1113 1.2,1114 18.981,1115 5.055,1116 12.247,1117 1.536,1118 1.538,1119 1.573,1120 1.526,1121 1.523,1122 2.017,1123 0.097,1124 4.54,1125 1.423,1126 4.191,1127 4.241,1128 4.178,1129 4.026,1130 5.177,1131 4.057,1132 3.915,1133 3.943,1134 3.999,1135 3.856,1136 4.928,1137 3.851,1138 3.847,1139 3.919,1140 3.756,1141 3.661,1142 4.734,1143 3.675,1144 3.626,1145 3.68,1146 3.548,1147 3.489,1148 4.466,1149 3.496,1150 3.28,1151 3.368,1152 3.363,1153 3.103,1154 4.374,1155 3.085,1156 3.215,1157 3.296,1158 3.179,1159 3.045,1160 4.309,1161 3.027,1162 3.174,1163 3.255,1164 3.044,1165 2.979,1166 3.905,1167 2.999,1168 3.009,1169 3.1,1170 2.914,1171 2.815,1172 3.833,1173 2.821,1174 0.144,1175 0.101,1176 0.208,1177 0.127,1178 0.099,1179 4.736,1180 0.146,1181 3.349,1182 0.024,1183 6.851,1184 0.346,1185 4.202,1186 0.093,1187 3.266,1188 4.811,1189 0.8,1190 11.432,1191 3.055,1192 2.015,1193 1.975,1194 2.069,1195 2.184,1196 1.296,1197 2.151,1198 1.898,1199 1.873,1200 2.003,1201 2.006,1202 1.166,1203 2.01,1204 1.767,1205 1.698,1206 1.951,1207 1.962,1208 1.103,1209 1.968,1210 1.488,1211 1.446,1212 1.655,1213 1.641,1214 0.902,1215 1.64,1216 1.309,1217 1.23,1218 1.586,1219 1.553,1220 0.717,1221 1.56,1222 1.277,1223 1.197,1224 1.532,1225 1.504,1226 0.594,1227 1.514,1228 1.204,1229 1.129,1230 1.437,1231 1.407,1232 0.504,1233 1.459,1234 0.979,1235 0.905,1236 1.314,1237 1.254,1238 0.382,1239 1.269,1240 4.205,1242 5.557,1243 2.398,1244 7.111,1245 4.595,1246 8.761,1247 6.629,1248 10.461,1250 4.211,1251 6.406,1256 2.832,1257 6.863,1260 0.443,1261 2.308,1267 33.192,1268 79.296,1269 196.417,1270 252.665,1271 273.784,1272 273.784,1273 273.784,1274 36.066,1275 8.233,1276 70.38,1277 70.38,1278 29,1279 12.833,1280 4.459,1281 3.524,1282 39.545,1283 114,1284 103,1285 0.177,1286 204.789,1287 334.91,1288 491.445,1289 43846,1290 2,1291 19.957,1292 0.688,1293 0.59,1294 20.457,1295 17.11,1296 14.097,1297 0.427,1298 0.306,1299 9.625,1300 13.302,1301 9.335,1302 7.729,1303 14.386,1304 10.11,1305 13.068,1306 0.272,1307 0.164,1308 13.439,1309 7.887,1310 11.474,1311 0.171,1312 0.084,1313 11.832,1314 5.654,1315 9.99,1316 0.109,1317 0.045,1318 10.325,1319 4.099,1320 8.16,1321 0.067,1322 0.022,1323 8.355,1324 2.666,1325 0.274,1326 91.051,1327 0.211,1328 27.204,1329 0.499,1330 162,1331 421.095,1332 192.173,1333 446.017,1334 624.36,1335 420,1336 196,1337 463.961,1338 225.215,1339 480.254,1340 712.4,1341 453,1342 8.328}
{0 CHEMBL1908391,1 1.54,2 16.667,3 4.475,4 20.029,5 146.666,6 7.556,7 0.575,8 4.28,9 4.407,10 3.903,11 3.864,12 5.339,13 3.817,14 4.812,15 4.999,16 4.255,17 4.246,18 5.814,19 4.182,20 5.037,21 5.241,22 4.236,23 4.383,24 6.005,25 4.278,26 5.175,27 5.434,28 4.202,29 4.381,30 6.092,31 4.232,32 5.086,33 5.353,34 4.21,35 4.309,36 5.994,37 4.17,38 4.875,39 5.072,40 4.12,41 4.257,42 5.876,43 4.129,44 4.947,45 5.191,46 3.976,47 4.197,48 5.882,49 4.063,50 4.807,51 5.025,52 3.998,53 4.113,54 5.832,55 4.011,56 0.043,57 1.016,58 13.973,59 5.934,60 9.96,61 7.836,62 0.303,63 1.668,64 27.936,65 9.47,66 24.758,67 13.038,68 0.251,69 1.964,70 33.846,71 12.832,72 34.462,73 17.464,74 0.369,75 2.105,76 42.94,77 15.603,78 55.382,79 21.355,80 0.403,81 1.937,82 44.21,83 14.615,84 51.009,85 19.32,86 0.315,87 1.685,88 33.664,89 12.227,90 36.653,91 15.636,92 0.338,93 1.669,94 35.001,95 12.794,96 42.861,97 17.207,98 0.283,99 1.47,100 28.205,101 10.532,102 40.085,103 14.224,104 10,105 55,106 0.242,107 0.57,108 0.746,109 0.823,110 0.855,111 0.855,112 3.615,113 0.972,114 -4.35,115 -4.29,116 -4.05,118 42.4,119 1,123 1,124 5,138 9,139 4,140 2,141 2,142 1,147 1,151 1,155 1,163 11,167 6,170 2,172 6,173 11,176 1,177 6,182 5,184 7,187 1,188 9,192 1,193 5,195 5,200 7,205 3,208 8,213 4,216 3,218 3,221 10,224 1,225 3,228 1,230 2,233 11,236 1,237 5,242 3,245 11,249 6,254 2,257 8,260 2730,261 24.549,262 24.549,263 24.549,264 24.549,265 24.549,266 21.675,267 30.255,268 14.579,269 25.183,270 19.776,271 19.776,272 19.776,273 19.776,274 19.776,275 15.497,276 48.345,277 7.021,278 20.793,279 4.505,280 2.417,281 1.296,282 0.803,283 0.599,284 0.599,285 4.323,289 1,290 1323,291 3.317,293 108.605,294 541.861,301 2.722,302 22.582,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 76,314 600,315 4.332,316 3.573,317 6.199,318 3.932,319 2.973,320 3.988,321 1.058,322 9.294,323 2.887,324 4.249,325 3.081,326 6.114,327 3.861,328 2.885,329 3.88,330 0.916,331 8.965,332 2.802,333 4.164,334 3.044,335 6.032,336 3.785,337 2.797,338 3.759,339 0.8,340 8.625,341 2.757,342 3.818,343 2.885,344 5.588,345 3.604,346 2.657,347 3.253,348 0.4,349 7.698,350 2.52,351 3.73,352 2.687,353 5.31,354 3.337,355 2.386,356 3.117,357 0.172,358 6.852,359 2.266,360 3.544,361 2.445,362 5.205,363 3.227,364 2.311,365 2.782,367 6.481,368 2.111,369 3.434,370 2.334,371 5.127,372 3.08,373 2.123,374 2.55,376 6.247,377 2.002,378 3.128,379 2.269,380 4.806,381 2.861,382 1.928,383 2.366,385 5.438,386 1.785,387 3.033,388 1.869,389 4.376,390 2.667,391 1.719,392 2.052,394 4.299,395 1.624,396 2.831,397 1.795,398 4.126,399 2.377,400 1.414,401 1.965,403 3.631,404 1.352,405 2.744,406 1.509,407 4.045,408 2.282,409 1.265,410 1.75,411 3.363,412 1.276,413 2.527,414 1.146,415 3.485,416 2.01,417 1.058,418 1.54,419 2.587,420 1,421 2.5,422 1.085,423 3.414,424 2,425 1,426 1.5,427 2.275,428 0.999,429 2.5,430 1,431 3.414,432 1.967,433 1,434 1.5,435 2.275,436 0.965,437 2.169,438 1,439 3.265,440 1.954,441 1,442 1.007,443 2.136,444 0.951,445 17.567,446 0.488,447 0.814,448 0.023,449 48.25,450 1.34,451 24.5,452 0.681,453 23.75,454 0.66,455 30.923,456 0.859,457 37.633,458 0.57,459 37.039,460 1.029,461 9.517,462 0.264,463 8.013,464 0.223,465 0.076,467 0.302,471 0.847,472 1.335,473 0.773,474 0.989,475 0.621,476 0.935,477 1.017,478 1.057,479 0.905,480 0.904,481 0.59,482 0.866,483 1.054,484 1.176,485 1.004,486 1.09,487 0.864,488 1.136,489 0.966,490 0.962,491 0.868,492 0.927,493 0.981,494 0.975,495 1.191,496 0.818,497 0.961,498 0.818,499 1.229,500 0.738,501 0.919,502 1.09,503 1.331,504 1.281,505 1.023,506 1.152,507 0.965,508 0.934,509 0.988,510 0.989,511 1.209,512 0.973,513 1.103,514 1.006,515 0.833,516 0.954,517 1.479,518 0.981,519 7.5,520 0.197,521 3.556,522 1.847,523 1.779,524 0.934,525 0.696,526 0.635,527 0.349,528 0.263,529 23949,530 56104,531 2.137,532 45.5,533 3,534 22,535 1,536 2,537 2,542 1.769,543 2.038,544 3.996,545 0.148,550 101.608,551 1.54,552 3.627,553 4.748,554 5.241,555 5.446,556 5.446,557 3.51,558 4.649,559 5.137,560 4.174,561 2629.52,562 9.002,563 45020.9,568 398.93,569 1.256,570 5.118,571 0.188,572 0.006,573 0.065,574 0.035,575 0.038,576 0.019,577 0.015,578 0.015,579 0.009,580 0.007,581 0.396,582 0.17,583 0.75,584 0.442,585 201.777,586 -0.023,587 -0.183,588 0.073,589 -0.017,590 -0.025,591 0.008,592 0.017,593 0.069,594 0.045,595 0.057,596 0.085,597 0.067,598 -0.093,599 -0.138,600 -0.136,601 -0.159,602 0.003,603 -0.182,604 0.029,605 -0.016,606 0.082,607 0.03,608 0.076,609 0.014,610 -0.053,611 0.147,612 0.193,613 0.243,614 0.016,615 0.266,616 0.04,617 -0.031,618 -0.178,619 -0.164,620 -0.035,621 -0.156,622 0.046,623 0.015,624 -0.012,625 0.003,626 -0.014,627 0.026,628 0.039,629 -0.039,630 0.045,631 -0.014,632 -0.003,633 -0.007,634 1.788,635 5.903,636 0.806,637 51.028,638 0.994,639 1.123,640 3.124,641 9.76,642 0.686,643 3.714,644 4.025,645 4.263,646 4.489,647 4.71,648 4.718,649 4.844,650 4.977,651 5.043,652 5.142,653 9.392,654 0.642,655 498.71,656 3.714,657 5.252,658 6.089,659 6.95,660 7.799,661 8.661,662 9.516,663 10.378,664 11.235,665 12.098,666 9.1,669 2,673 1,674 1,676 2,681 12,682 2,685 1,686 8,688 23,694 1,699 1,705 66,706 24,707 2,708 40,710 70,711 28,712 20,713 5,714 7,715 1,717 5,718 5,721 1,729 21,730 7,733 1,737 1,740 1,747 30,748 7,749 2,750 8,751 1,755 6,760 1,761 1,773 1,778 1,779 4,800 2,803 5,805 1,807 2,811 36,817 5,818 2,822 2,827 1,833 1.5,836 1,841 17.667,842 12.383,843 7.833,844 3.857,847 4.188,848 1.501,849 1.011,850 7.711,851 12.546,852 3.98,853 4.551,854 5.082,855 5.617,856 6.097,857 6.281,858 6.643,859 7.001,860 7.329,861 7.661,862 1,863 53,864 13.307,865 5.595,866 7.565,867 25.904,868 21.283,869 2.065,870 74.333,874 329.591,875 196.276,876 75.841,878 25.145,880 31.278,881 164.998,882 354.736,883 75.841,884 17.222,885 28.539,886 92.935,887 86.963,888 63.868,889 11.771,890 325.555,892 329.591,893 240.839,894 25.145,895 31.278,897 329.591,898 25.145,900 82.976,901 124.292,902 33.571,903 31.278,904 329.591,905 100.986,906 196.276,909 329.591,910 68.024,911 134.5,912 36.022,913 58.716,914 329.591,915 100.986,916 196.276,918 0.581,919 0.331,920 0.172,921 0.097,922 26,923 11,924 0.1,925 7,927 1,928 4.888,929 331.774,931 29,932 178.117,933 1,936 24.572,937 11.297,938 6.371,940 100.986,941 23.234,942 8.849,945 1.535,946 7.236,948 36.022,949 626.853,950 52.5,954 12.903,957 -0.121,960 65.618,961 74.102,962 0.255,963 0.6,964 0.786,965 0.867,966 0.901,967 0.901,968 5.208,969 1.928,970 6.057,971 6.247,972 4.71,973 5.239,974 1.796,975 6.812,976 4.62,977 6.393,978 1.719,979 7.58,980 5.438,981 4.205,982 4.89,983 0.57,984 7.554,985 4.092,986 7.676,987 1.414,988 9.195,989 4.299,990 6.26,991 7.355,992 1.605,993 10.608,994 6.097,995 8.99,996 1.265,997 10.863,998 3.631,999 6.553,1000 7.817,1001 0.581,1002 12.146,1003 6.372,1004 10.333,1005 1.058,1006 12.565,1007 3.363,1008 8.054,1009 9.736,1010 1.567,1011 14.684,1012 7.834,1013 11.696,1014 1,1015 14.29,1016 2.587,1017 8.721,1018 10.592,1019 0.515,1020 16.567,1021 8.486,1022 13.075,1023 1,1024 16.03,1025 2.275,1026 9.983,1027 12.258,1028 1.582,1029 18.907,1030 9.714,1031 2.973,1032 1,1033 17.783,1034 2.275,1035 10.841,1036 13.328,1037 0.441,1038 20.953,1039 10.556,1040 2.885,1041 9.294,1042 19.546,1043 2.136,1044 11.991,1045 14.86,1046 1.624,1047 23.211,1048 11.676,1049 2.797,1050 8.965,1051 21.316,1052 3.988,1053 12.947,1054 16.052,1055 0.373,1056 25.337,1057 12.614,1058 2.657,1059 8.625,1060 23.091,1061 3.88,1062 14.047,1063 17.51,1064 1.682,1065 27.561,1066 13.686,1067 2.386,1068 7.698,1069 24.873,1070 3.759,1071 15.054,1072 18.772,1073 0.314,1074 29.726,1075 14.672,1076 2.311,1077 6.852,1078 26.658,1079 3.253,1080 16.131,1081 20.189,1082 1.752,1083 31.937,1084 15.723,1085 2.123,1086 6.481,1087 28.447,1088 3.117,1089 17.165,1090 21.494,1091 0.264,1092 34.122,1093 16.734,1094 22116,1095 34149,1096 27.334,1097 45.273,1098 60.044,1099 60.427,1100 60.336,1101 59.378,1102 59.424,1103 77.22,1104 6.694,1105 166.135,1106 56.659,1107 5.332,1108 5.573,1109 6.001,1110 5.046,1111 4.973,1112 6.988,1113 2.117,1114 15.614,1115 4.887,1116 14.416,1117 1.501,1118 1.511,1119 1.508,1120 1.484,1121 1.486,1122 1.93,1123 0.167,1124 4.153,1125 1.416,1126 4.027,1127 4.062,1128 4.233,1129 3.955,1130 7.429,1131 3.943,1132 3.942,1133 3.977,1134 3.933,1135 3.88,1136 4.977,1137 3.865,1138 3.89,1139 3.928,1140 3.835,1141 3.821,1142 4.798,1143 3.816,1144 3.794,1145 3.855,1146 3.742,1147 3.604,1148 4.711,1149 3.614,1150 3.634,1151 3.667,1152 3.683,1153 3.589,1154 4.654,1155 3.535,1156 3.41,1157 3.465,1158 3.336,1159 3.213,1160 4.378,1161 3.233,1162 3.241,1163 3.334,1164 3.081,1165 3.036,1166 4.033,1167 3.029,1168 3.111,1169 3.206,1170 2.911,1171 2.941,1172 3.913,1173 2.91,1174 0.108,1175 0.089,1176 0.155,1177 0.098,1178 0.074,1179 4.332,1180 0.1,1181 3.573,1182 0.026,1183 6.199,1184 0.232,1185 3.932,1186 0.072,1187 2.973,1188 3.988,1189 1.058,1190 9.294,1191 2.887,1192 1.953,1193 1.927,1194 2.065,1195 2.068,1196 1.323,1197 2.07,1198 1.903,1199 1.874,1200 2.02,1201 2.021,1202 1.16,1203 2.023,1204 1.847,1205 1.814,1206 1.951,1207 1.963,1208 1.125,1209 1.962,1210 1.752,1211 1.681,1212 1.947,1213 1.937,1214 0.997,1215 1.947,1216 1.352,1217 1.319,1218 1.591,1219 1.595,1220 0.825,1221 1.589,1222 1.3,1223 1.283,1224 1.547,1225 1.491,1226 0.735,1227 1.504,1228 1.254,1229 1.198,1230 1.513,1231 1.466,1232 0.619,1233 1.461,1234 1.22,1235 1.134,1236 1.398,1237 1.376,1238 0.559,1239 1.429,1240 4.394,1242 5.707,1243 2.398,1244 7.201,1245 4.595,1246 8.771,1247 6.581,1248 10.379,1250 4.194,1256 5.273,1257 6.421,1261 4.81,1267 42.352,1268 101.608,1269 239.381,1270 313.381,1271 345.91,1272 359.42,1273 359.42,1274 53.723,1275 8.358,1276 73.39,1277 101.63,1278 29,1279 12.647,1280 4.644,1281 3.755,1282 54.839,1283 202,1284 216,1285 0.127,1286 263.153,1287 449.18,1288 633.854,1289 63861,1291 24.907,1292 0.692,1293 0.594,1294 25.261,1295 21.386,1296 17.53,1297 0.438,1298 0.324,1299 12.011,1300 16.537,1301 11.568,1302 9.629,1303 17.984,1304 12.961,1305 15.845,1306 0.288,1307 0.182,1308 16.422,1309 10.023,1310 13.209,1311 0.189,1312 0.102,1313 13.848,1314 7.174,1315 10.592,1316 0.12,1317 0.056,1318 11.326,1319 4.889,1320 8.735,1321 0.079,1322 0.032,1323 9.366,1324 3.524,1325 0.209,1326 113.333,1327 0.191,1328 33.937,1329 0.326,1330 190,1331 491.842,1332 227.044,1333 508.434,1334 702.74,1335 478,1336 220,1337 505.346,1338 253.356,1339 534.756,1340 775.35,1341 500,1342 6.244}
{0 CHEMBL1908392,1 1.468,2 14.139,3 4.725,4 22.326,5 143.007,6 7.189,7 0.55,8 4.296,9 4.422,10 3.839,11 3.839,12 5.374,13 3.814,14 4.829,15 5.017,16 4.193,17 4.236,18 5.841,19 4.191,20 5.082,21 5.287,22 4.266,23 4.404,24 6.091,25 4.326,26 5.194,27 5.429,28 4.24,29 4.417,30 6.189,31 4.315,32 5.191,33 5.436,34 4.277,35 4.386,36 6.24,37 4.315,38 5.107,39 5.294,40 4.281,41 4.439,42 6.214,43 4.362,44 5.207,45 5.442,46 4.18,47 4.463,48 6.186,49 4.337,50 5.154,51 5.421,52 3.926,53 4.318,54 6.018,55 4.158,56 0.05,57 0.996,58 14.24,59 5.91,60 11.343,61 8.044,62 0.309,63 1.633,64 26.445,65 9.271,66 23.903,67 13.296,68 0.387,69 1.987,70 35.058,71 12.805,72 38.967,73 17.929,74 0.358,75 2.094,76 40.579,77 15.014,78 57.73,79 21.288,80 0.497,81 2.048,82 41.823,83 13.987,84 72.416,85 19.646,86 0.429,87 1.978,88 35.939,89 13.536,90 64.075,91 18.251,92 0.348,93 2.119,94 40.822,95 15.806,96 62.944,97 22.335,98 0.384,99 1.941,100 40.207,101 14.942,102 58.33,103 21.447,104 17,105 56,106 0.23,107 0.542,108 0.68,109 0.797,110 0.838,111 0.838,112 3.616,113 0.916,114 -4.14,115 -4.09,116 -3.87,118 43.3,123 2,124 5,138 13,139 3,140 2,148 1,149 1,150 1,151 1,163 13,166 1,167 6,171 1,172 4,173 14,176 3,177 7,182 3,184 12,188 5,191 2,193 5,195 10,199 1,200 7,205 6,208 17,212 2,213 3,218 8,221 20,224 1,225 2,230 6,233 19,236 1,237 5,245 12,249 7,252 2,257 3,260 2470,261 24.499,262 24.499,263 24.499,264 24.499,265 24.499,266 21.627,267 26.138,268 14.482,269 24.952,270 19.744,271 19.744,272 19.744,273 19.744,274 19.744,275 15.418,276 36.272,277 6.91,278 20.467,279 4.598,280 2.6,281 1.72,282 0.972,283 0.709,284 0.709,285 4.321,289 1,290 1121,291 3.937,293 90.437,294 513.421,297 169.554,301 2.179,302 27.518,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 76.5,314 509,315 4.707,316 3.757,317 6.985,318 4.271,319 3.294,320 4.626,321 1.989,322 11.89,323 3.219,324 4.238,325 3.412,326 6.342,327 3.919,328 2.962,329 3.835,330 0.835,331 9.444,332 2.832,333 4.139,334 2.936,335 6.132,336 3.722,337 2.746,338 3.642,339 0.8,340 8.965,341 2.683,342 3.821,343 2.898,344 5.49,345 3.546,346 2.61,347 3.167,348 0.6,349 7.348,350 2.458,351 3.605,352 2.71,353 5.401,354 3.371,355 2.4,356 3.006,357 0.543,358 6.867,359 2.306,360 3.553,361 2.444,362 5.322,363 3.11,364 2.14,365 2.712,367 6.439,368 2.079,369 3.347,370 2.365,371 5.01,372 3.045,373 2.109,374 2.537,376 5.9,377 1.977,378 3.205,379 2.27,380 4.795,381 2.777,382 1.822,383 2.432,385 5.119,386 1.724,387 3.016,388 1.915,389 4.77,390 2.698,391 1.732,392 2.213,394 4.998,395 1.659,396 2.96,397 1.566,398 4.279,399 2.5,400 1.51,401 1.984,403 3.765,404 1.492,405 2.83,406 1.396,407 3.612,408 2.339,409 1.354,410 1.982,411 2.934,412 1.329,413 2.564,414 1.327,415 3.548,416 2.019,417 1.04,418 1.524,419 2.583,420 1.015,421 2.5,422 1.146,423 3.526,424 2,425 1,426 1.5,427 2.275,428 1,429 2.5,430 1.117,431 3.414,432 2,433 1,434 1.5,435 2.275,436 1,437 2.064,438 1,439 3.414,440 1.967,441 1,442 1,443 2.136,444 0.965,445 17.167,446 0.477,447 0.853,448 0.024,449 48.25,450 1.34,451 24.5,452 0.681,453 23.75,454 0.66,455 30.662,456 0.852,457 38.033,458 0.568,459 40.849,460 1.135,461 9.805,462 0.272,463 7.686,464 0.213,465 0.097,467 0.332,471 0.878,472 1.391,473 0.825,474 1.08,475 0.734,476 0.966,477 0.94,478 1.047,479 0.906,480 0.863,481 0.574,482 0.858,483 1.059,484 1.034,485 1.051,486 1.027,487 0.964,488 1.03,489 0.91,490 1.088,491 0.935,492 1.062,493 0.993,494 1.013,495 1.435,496 0.779,497 0.875,498 0.728,499 1.506,500 0.729,501 1.401,502 1.029,503 1.141,504 1.047,505 1.583,506 1.068,507 0.829,508 1.04,509 1.031,510 1.092,511 0.783,512 1.09,513 0.866,514 0.931,515 1.045,516 1.013,517 0.914,518 1.048,519 6.5,520 0.231,521 4,522 2.729,523 2.178,524 1.427,525 0.791,526 0.415,527 0.41,528 0.335,529 20863,530 47913,531 2.12,532 46.3,534 29,537 2,542 1.774,543 2,544 3.681,545 0.121,550 98.357,551 1.468,552 3.466,553 4.346,554 5.094,555 5.357,556 5.357,557 3.155,558 4.649,559 5.14,560 3.925,561 2473.04,562 9.034,563 39940,568 406.428,569 1.352,570 5.109,571 0.162,572 0.007,573 0.071,574 0.047,575 0.04,576 0.024,577 0.013,578 0.008,579 0.011,580 0.01,581 0.394,582 0.33,583 0.75,584 0.496,585 197.391,586 -0.04,587 -0.214,588 0.056,589 -0.047,590 -0.066,591 0.003,592 0.009,593 0.109,594 0.035,595 0.104,596 0.043,597 0.082,598 -0.033,599 0.041,600 -0.092,601 -0.046,602 -0.017,603 -0.07,604 0.058,605 -0.104,606 0.044,607 -0.069,608 0.063,609 -0.024,610 -0.106,611 0.207,612 0.151,613 0.232,614 -0.03,615 0.229,616 -0.143,617 0.014,618 -0.174,619 -0.045,620 -0.145,621 -0.105,622 -0.012,623 -0.063,624 -0.073,625 -0.079,626 0.012,627 -0.083,628 -0.053,629 0.006,630 -0.062,631 -0.016,632 -0.096,633 -0.038,634 1.593,635 5.87,636 0.75,637 40.701,638 0.995,639 1.124,640 2.914,641 8.489,642 0.669,643 3.714,644 4.043,645 4.331,646 4.605,647 4.852,648 4.89,649 5.043,650 5.17,651 5.236,652 5.303,653 8.169,654 0.633,655 481.65,656 3.714,657 5.263,658 6.12,659 7.002,660 7.879,661 8.768,662 9.653,663 10.546,664 11.437,665 12.333,666 7.5,669 2,673 1,674 1,675 1,680 2,681 13,683 1,686 5,688 22,690 1,702 1,705 67,706 24,707 3,708 40,710 71,711 29,712 20,713 5,714 13,715 1,717 5,718 6,729 22,730 7,733 2,737 1,739 1,740 2,747 31,748 6,749 2,750 7,755 5,760 0.8,761 2,775 1,778 1,779 4,782 1,791 1,800 2,803 4,807 2,811 36,816 1,817 5,822 3,833 3,835 1,836 1,841 18,842 12.5,843 7.861,844 3.921,847 3.698,848 1.46,849 0.995,850 7.19,851 11.742,852 3.989,853 4.588,854 5.194,855 5.81,856 6.368,857 6.687,858 7.187,859 7.655,860 7.991,861 8.398,862 1,863 58,864 13.343,865 5.685,866 7.639,867 25.778,868 21.313,869 2.139,870 77,874 341.362,875 174.576,876 42.944,878 67.828,881 174.576,882 409.19,883 42.944,884 16.793,885 13.653,886 123.191,887 75.29,888 54.277,889 2.144,890 341.362,892 341.362,893 217.52,894 67.828,897 341.362,898 67.828,900 53.473,901 164.047,904 341.362,905 110.772,906 174.576,909 341.362,910 34.592,911 149.357,912 16.786,913 84.614,914 341.362,915 110.772,916 174.576,918 0.582,919 0.343,920 0.187,921 0.107,922 27,923 12,924 0.085,925 6,926 1,927 1.074,928 4.645,929 350.416,930 0.074,931 27,932 174.117,936 24.262,937 10.668,938 5.39,939 1.757,940 93.987,941 25.284,943 3.059,946 3.22,948 59.469,949 626.71,950 53,954 12.87,956 4.949,957 0.752,960 66.65,961 75.308,962 0.242,963 0.571,964 0.716,965 0.84,966 0.883,967 0.883,968 5.228,969 1.822,970 6.103,971 5.9,972 4.727,973 5.276,974 2.386,975 6.919,976 4.658,977 6.43,978 1.732,979 7.663,980 5.119,981 4.29,982 5.017,983 1.803,984 7.832,985 4.167,986 7.733,987 1.51,988 9.326,989 4.998,990 6.323,991 7.469,992 3.144,993 10.965,994 6.185,995 9.072,996 1.354,997 11.051,998 3.765,999 6.723,1000 8.087,1001 3.237,1002 12.764,1003 6.54,1004 10.447,1005 1.04,1006 12.817,1007 2.934,1008 8.215,1009 9.999,1010 4.307,1011 15.426,1012 8.017,1013 11.848,1014 1,1015 14.613,1016 2.583,1017 9.009,1018 11.061,1019 4.691,1020 17.605,1021 8.776,1022 13.271,1023 1,1024 16.432,1025 2.275,1026 10.286,1027 12.742,1028 5.594,1029 20.119,1030 10.036,1031 3.294,1032 1,1033 18.269,1034 2.275,1035 11.273,1036 14.035,1037 6.118,1038 22.463,1039 10.995,1040 2.962,1041 11.89,1042 20.121,1043 2.136,1044 12.467,1045 15.615,1046 6.925,1047 24.935,1048 12.171,1049 2.746,1050 9.444,1051 21.985,1052 4.626,1053 13.547,1054 17.026,1055 7.524,1056 27.349,1057 13.226,1058 2.61,1059 8.965,1060 23.86,1061 3.835,1062 14.714,1063 18.566,1064 8.277,1065 29.812,1066 14.374,1067 2.4,1068 7.348,1069 25.744,1070 3.642,1071 15.838,1072 20.036,1073 8.915,1074 32.257,1075 15.477,1076 2.14,1077 6.867,1078 27.635,1079 3.167,1080 17.001,1081 21.562,1082 9.639,1083 34.721,1084 16.619,1085 2.109,1086 6.439,1087 29.533,1088 3.006,1089 18.149,1090 23.06,1091 10.3,1092 37.181,1093 17.747,1094 19451,1095 29678,1096 27.046,1097 44.836,1098 60.927,1099 61.273,1100 61.936,1101 60.111,1102 59.98,1103 78.56,1104 9.532,1105 172.334,1106 57.922,1107 5.707,1108 5.757,1109 6.787,1110 5.338,1111 5.294,1112 7.626,1113 3.465,1114 19.314,1115 5.219,1116 16.344,1117 1.523,1118 1.532,1119 1.548,1120 1.503,1121 1.5,1122 1.964,1123 0.238,1124 4.308,1125 1.448,1126 4.148,1127 4.176,1128 4.116,1129 4.064,1130 7.427,1131 4.073,1132 3.951,1133 3.992,1134 3.895,1135 3.862,1136 6.473,1137 3.864,1138 3.866,1139 3.916,1140 3.795,1141 3.796,1142 4.953,1143 3.791,1144 3.83,1145 3.881,1146 3.724,1147 3.639,1148 4.806,1149 3.651,1150 3.545,1151 3.6,1152 3.462,1153 3.347,1154 4.708,1155 3.363,1156 3.434,1157 3.477,1158 3.352,1159 3.286,1160 4.398,1161 3.3,1162 3.248,1163 3.348,1164 3.122,1165 3.014,1166 4.323,1167 3.029,1168 3.128,1169 3.206,1170 2.998,1171 2.941,1172 4.131,1173 2.934,1174 0.118,1175 0.094,1176 0.175,1177 0.107,1178 0.082,1179 4.707,1180 0.116,1181 3.757,1182 0.05,1183 6.985,1184 0.297,1185 4.271,1186 0.08,1187 3.294,1188 4.626,1189 1.989,1190 11.89,1191 3.219,1192 1.975,1193 1.953,1194 2.062,1195 2.061,1196 1.307,1197 2.061,1198 1.901,1199 1.872,1200 2.011,1201 2.028,1202 1.181,1203 2.029,1204 1.864,1205 1.835,1206 1.997,1207 1.991,1208 1.097,1209 1.995,1210 1.783,1211 1.71,1212 1.973,1213 1.949,1214 1.06,1215 1.96,1216 1.515,1217 1.478,1218 1.689,1219 1.733,1220 0.831,1221 1.716,1222 1.444,1223 1.39,1224 1.584,1225 1.679,1226 0.825,1227 1.657,1228 1.214,1229 1.115,1230 1.561,1231 1.502,1232 0.678,1233 1.527,1234 1.153,1235 1.064,1236 1.513,1237 1.376,1238 0.643,1239 1.429,1240 4.394,1242 5.72,1243 2.398,1244 7.241,1245 4.844,1246 8.845,1247 7.034,1248 10.493,1250 3.925,1255 10.784,1256 4.209,1261 6.191,1267 42.385,1268 98.357,1269 232.217,1270 291.203,1271 341.309,1272 358.918,1273 358.918,1274 61.566,1275 8.044,1276 75.17,1277 75.17,1278 29,1279 12.859,1280 4.644,1281 3.807,1282 54.555,1283 177,1284 206,1285 0.148,1286 258.817,1287 445.76,1288 623.272,1289 36506,1291 25.07,1292 0.696,1293 0.575,1294 25.07,1295 20.685,1296 17.491,1297 0.437,1298 0.305,1299 12.052,1300 16.916,1301 11.711,1302 9.728,1303 17.491,1304 12.211,1305 15.775,1306 0.282,1307 0.166,1308 15.775,1309 9.269,1310 13.522,1311 0.18,1312 0.09,1313 13.522,1314 6.777,1315 11.163,1316 0.113,1317 0.046,1318 11.163,1319 4.555,1320 9.392,1321 0.074,1322 0.026,1323 9.392,1324 3.272,1325 0.236,1326 108.85,1327 0.192,1328 33.139,1329 0.396,1330 192,1331 496.799,1332 206.781,1333 490.006,1334 679.96,1335 460,1336 227,1337 507.779,1338 243.115,1339 520.327,1340 761.28,1341 489,1342 7.097}
{0 CHEMBL1908393,1 1.667,2 20.217,3 3.792,4 14.379,5 168.034,6 7.741,7 0.333,8 4.52,9 4.625,10 4.112,11 4.011,12 5.635,13 4.019,14 5.08,15 5.239,16 4.456,17 4.378,18 6.203,19 4.372,20 5.337,21 5.525,22 4.583,23 4.5,24 6.516,25 4.488,26 5.359,27 5.562,28 4.48,29 4.493,30 6.572,31 4.447,32 5.34,33 5.554,34 4.478,35 4.514,36 6.429,37 4.459,38 5.335,39 5.522,40 4.52,41 4.524,42 6.537,43 4.482,44 5.379,45 5.593,46 4.468,47 4.472,48 6.584,49 4.422,50 5.262,51 5.485,52 4.382,53 4.361,54 6.46,55 4.315,56 0.166,57 1.298,58 15.93,59 7.845,60 19.124,61 9.393,62 0.692,63 2.065,64 32.94,65 12.666,66 64.573,67 15.58,68 1.234,69 2.512,70 46.336,71 15.613,72 111.312,73 19.578,74 1.411,75 2.441,76 48.588,77 16.33,78 155.365,79 20.867,80 1.157,81 2.373,82 48.211,83 17.455,84 115.804,85 22.674,86 1.093,87 2.488,88 45.714,89 17.118,90 133.185,91 21.413,92 1.484,93 2.589,94 50.732,95 16.613,96 165.059,97 21.527,98 1.227,99 2.366,100 45.289,101 15.112,102 150.791,103 19.548,104 27,105 72,106 0.251,107 0.603,108 0.802,109 0.876,110 0.879,111 0.879,112 3.853,113 0.904,114 -3.05,115 -3.05,116 -2.93,118 41.5,120 4,122 1,123 1,124 6,126 1,132 3,135 1,138 6,139 1,140 6,141 1,142 1,151 2,163 7,167 12,170 2,172 6,173 5,176 2,177 11,182 7,184 5,187 4,188 6,191 2,192 1,195 8,199 2,200 6,203 1,208 17,212 1,213 8,218 4,221 10,224 3,225 8,230 5,233 2,236 1,237 7,242 1,245 5,248 1,249 5,252 2,254 1,257 8,260 5294,261 31.349,262 31.349,263 31.349,264 31.349,265 31.349,266 28.666,267 42.521,268 18.361,269 32.28,270 25.074,271 25.074,272 25.074,273 25.074,274 25.074,275 20.775,276 55.757,277 8.624,278 26.493,279 4.69,280 2.354,281 1.034,282 0.546,283 0.521,284 0.521,285 4.557,289 1,290 2039,291 4.743,292 97.418,294 820.877,298 247.167,301 3.28,302 71.18,305 0.75,306 0.33,307 0.67,308 0.9,309 1,310 0.67,311 0.5,312 0.69,313 103,314 930,315 4.765,316 4.332,317 7.978,318 4.682,319 3.677,320 4.513,321 2.166,322 15.051,323 3.692,324 4.577,325 3.406,326 6.59,327 4.103,328 3.14,329 3.952,330 1.722,331 10.546,332 3.025,333 4.245,334 3.365,335 6.116,336 3.817,337 2.874,338 3.864,339 1.013,340 8.963,341 2.705,342 3.982,343 3.227,344 6.003,345 3.591,346 2.634,347 3.488,348 0.86,349 8.521,350 2.529,351 3.963,352 3.11,353 5.567,354 3.565,355 2.618,356 3.267,357 0.86,358 7.375,359 2.452,360 3.605,361 2.927,362 5.387,363 3.435,364 2.519,365 2.926,366 0.86,367 6.965,368 2.305,369 3.521,370 2.883,371 5.34,372 3.248,373 2.299,374 2.757,375 0.86,376 6.956,377 2.17,378 3.409,379 2.606,380 5.181,381 3.073,382 2.134,383 2.522,384 0.8,385 6.095,386 1.989,387 3.3,388 2.406,389 5.063,390 2.932,391 1.989,392 2.393,393 0.215,394 5.845,395 1.867,396 3.101,397 2.35,398 4.848,399 2.685,400 1.751,401 2.241,402 0.109,403 4.758,404 1.664,405 3.025,406 2.313,407 4.569,408 2.645,409 1.642,410 2.144,411 4.565,412 1.587,413 2.834,414 2.232,415 4.535,416 2.48,417 1.553,418 1.966,419 3.9,420 1.453,421 2.786,422 2.156,423 4.146,424 2.451,425 1.431,426 1.805,427 3.633,428 1.435,429 2.746,430 1.808,431 3.928,432 2.366,433 1.417,434 1.734,435 3.371,436 1.33,437 2.581,438 1.501,439 3.7,440 2.285,441 1.386,442 1.587,443 3.127,444 1.232,445 21.171,446 0.46,447 1.089,448 0.024,449 54.75,450 1.19,451 24,452 0.522,453 30.75,454 0.668,455 46.072,456 1.002,457 51.429,458 0.627,459 51.461,460 1.119,461 10.944,462 0.238,463 11.396,464 0.248,465 0.082,466 0.024,467 0.302,468 1,470 1,471 0.714,472 1.192,473 0.719,474 1.181,475 0.549,476 0.995,477 0.996,478 1.092,479 0.902,480 1.042,481 0.696,482 0.963,483 1.116,484 1.072,485 0.971,486 1,487 1.01,488 0.948,489 1.028,490 0.842,491 1.059,492 0.958,493 1.04,494 1.004,495 0.853,496 0.804,497 0.834,498 0.894,499 0.885,500 0.874,501 0.983,502 1.11,503 0.982,504 1.127,505 0.916,506 1.077,507 1.027,508 1.04,509 1.021,510 0.983,511 0.994,512 0.998,513 0.994,514 1.073,515 0.953,516 1.007,517 1.061,518 0.97,519 10,520 0.396,521 5,522 3.201,523 2.874,524 1.626,525 1.044,526 0.959,527 0.6,528 0.345,529 46200,530 129162,531 2.112,532 43.9,533 4,534 25,536 1,537 2,539 2,540 2,542 1.829,543 1.993,544 4.232,545 0.127,550 136.718,551 1.667,552 4.003,553 5.323,554 5.812,555 5.836,556 5.836,557 3.754,558 4.942,559 5.488,560 4.441,561 4596.73,562 9.714,563 94747.1,568 521.319,569 1.434,570 5.459,571 0.196,572 0.007,573 0.072,574 0.043,575 0.044,576 0.024,577 0.015,578 0.015,579 0.01,580 0.006,581 0.432,582 0.33,583 0.5,584 0.588,585 277.171,586 -0.044,587 -0.128,588 0.054,589 -0.078,590 -0.027,591 -0.001,592 -0.088,593 -0.08,594 -0.007,595 -0.023,596 -0.006,597 0.001,598 -0.057,599 -0.054,600 -0.001,601 -0.021,602 -0.033,603 0.005,604 -0.019,605 0.095,606 -0.083,607 0.01,608 0.009,609 -0.042,610 0.027,611 0.071,612 0.13,613 0.115,614 -0.009,615 0.142,616 -0.024,617 -0.144,618 -0.035,619 -0.104,620 0.03,621 -0.082,622 0.01,623 -0.055,624 -0.022,625 -0.012,626 0.029,627 -0.026,628 0.037,629 0.001,630 0.052,631 -0.023,632 0.03,633 0.013,634 2.507,635 7.243,636 0.674,637 81.323,638 1.017,639 1.134,640 1.816,641 3.297,642 0.653,643 3.951,644 4.29,645 4.554,646 4.771,647 4.984,648 5.05,649 5.159,650 5.318,651 5.451,652 5.472,653 11.185,654 0.635,655 634.74,656 3.951,657 5.509,658 6.372,659 7.256,660 8.137,661 9.029,662 9.92,663 10.817,664 11.714,665 12.617,666 4.9,669 1,673 2,676 1,680 2,681 7,682 1,686 6,688 17,703 3,704 1,705 82,706 21,707 2,708 51,710 87,711 34,712 15,713 7,714 5,715 4,717 6,718 7,722 1,723 1,724 4,727 5,729 21,730 13,732 1,733 4,737 2,738 3,740 3,745 2,747 36,748 12,749 2,750 12,755 4,760 0.833,761 6,773 1,777 1,779 5,783 1,790 2,795 4,800 1,802 1,803 5,807 1,809 2,811 46,817 10,818 2,819 4,821 1,822 1,823 1,832 2,833 7.3,836 2,837 1,838 3,841 23.083,842 14.852,843 10.111,844 4.986,847 3.889,848 1.434,849 0.978,850 10.07,851 12.846,852 4.167,853 4.727,854 5.264,855 5.791,856 6.328,857 6.629,858 7.005,859 7.429,860 7.833,861 8.028,862 0.929,863 75,864 17.28,865 7.691,866 7.933,867 32.375,868 27.057,869 2.433,870 111.917,874 400.217,875 187.363,876 55.931,878 94.289,879 29.92,881 187.363,882 494.507,883 85.852,884 10.883,885 68.433,886 85.286,887 102.012,888 82.74,889 29.92,890 388.446,892 400.217,893 243.294,894 124.21,897 383.053,898 130.374,899 11,900 82.749,901 112.574,902 47.971,904 430.138,905 150.221,906 187.363,909 402.397,910 79.967,911 108.341,912 36.022,913 140.995,914 400.217,915 180.141,916 187.363,918 0.583,919 0.341,920 0.178,921 0.094,922 34,923 15,924 0.138,925 12,926 1,927 1.065,928 5.607,929 473.184,930 0.065,931 31,932 245.329,936 32.235,937 14.37,938 7.822,939 1.186,940 180.141,941 10.76,942 4.438,946 0.821,948 36.022,949 767.721,950 63.5,954 25.921,955 4.417,957 -0.552,960 83.418,961 92.987,962 0.262,963 0.63,964 0.837,965 0.914,966 0.918,967 0.918,968 5.435,969 2.134,970 6.372,971 6.956,972 4.977,973 5.416,974 3.133,975 7.223,976 4.881,977 6.64,978 1.989,979 7.964,980 6.095,981 4.691,982 5.301,983 2.221,984 8.48,985 4.586,986 7.965,987 1.751,988 9.674,989 5.845,990 6.655,991 7.585,992 3.91,993 11.566,994 6.505,995 9.326,996 1.642,997 11.464,998 4.758,999 7.223,1000 8.289,1001 3.846,1002 13.783,1003 7.094,1004 10.725,1005 1.553,1006 13.313,1007 4.565,1008 8.695,1009 10.089,1010 5.098,1011 16.534,1012 8.54,1013 12.15,1014 1.431,1015 15.208,1016 3.9,1017 9.656,1018 11.176,1019 5.417,1020 19.092,1021 9.534,1022 13.597,1023 1.417,1024 17.141,1025 3.633,1026 10.965,1027 12.784,1028 6.463,1029 21.793,1030 10.84,1031 3.677,1032 1.386,1033 19.104,1034 3.371,1035 12.105,1036 14.063,1037 6.969,1038 24.456,1039 12.008,1040 3.14,1041 15.051,1042 21.091,1043 3.127,1044 13.373,1045 15.591,1046 7.905,1047 27.156,1048 13.286,1049 2.874,1050 10.546,1051 23.098,1052 4.513,1053 14.591,1054 16.967,1055 8.515,1056 29.85,1057 14.527,1058 2.634,1059 8.963,1060 25.12,1061 3.952,1062 15.857,1063 18.463,1064 9.386,1065 32.555,1066 15.807,1067 2.618,1068 8.521,1069 27.154,1070 3.864,1071 17.112,1072 19.892,1073 10.059,1074 35.26,1075 17.08,1076 2.519,1077 7.375,1078 29.197,1079 3.488,1080 18.385,1081 21.378,1082 10.891,1083 37.968,1084 18.367,1085 2.299,1086 6.965,1087 31.248,1088 3.267,1089 19.659,1090 22.835,1091 11.602,1092 40.677,1093 19.655,1094 42766,1095 71800,1096 34.383,1097 53.569,1098 76.341,1099 79.08,1100 78.836,1101 75.474,1102 75.53,1103 93.03,1104 18.932,1105 220.144,1106 71.614,1107 5.765,1108 6.332,1109 7.78,1110 5.786,1111 5.677,1112 7.513,1113 3.858,1114 22.84,1115 5.692,1116 21.761,1117 1.497,1118 1.551,1119 1.546,1120 1.48,1121 1.481,1122 1.824,1123 0.371,1124 4.317,1125 1.404,1126 4.096,1127 4.115,1128 4.064,1129 4.003,1130 8.201,1131 4.015,1132 4.005,1133 4.033,1134 3.951,1135 3.895,1136 8.191,1137 3.903,1138 3.882,1139 3.913,1140 3.835,1141 3.789,1142 7.443,1143 3.794,1144 3.836,1145 3.882,1146 3.758,1147 3.744,1148 7.413,1149 3.741,1150 3.818,1151 3.868,1152 3.696,1153 3.61,1154 5.071,1155 3.621,1156 3.572,1157 3.609,1158 3.487,1159 3.392,1160 4.773,1161 3.408,1162 3.444,1163 3.489,1164 3.3,1165 3.278,1166 4.662,1167 3.273,1168 3.246,1169 3.3,1170 3.193,1171 2.971,1172 4.624,1173 3.009,1174 0.093,1175 0.085,1176 0.156,1177 0.092,1178 0.072,1179 4.765,1180 0.088,1181 4.332,1182 0.042,1183 7.978,1184 0.295,1185 4.682,1186 0.072,1187 3.677,1188 4.513,1189 2.166,1190 15.051,1191 3.692,1192 2.021,1193 2.007,1194 2.076,1195 2.124,1196 1.292,1197 2.109,1198 1.868,1199 1.844,1200 1.998,1201 2,1202 1.207,1203 1.997,1204 1.852,1205 1.817,1206 1.976,1207 1.992,1208 1.203,1209 1.991,1210 1.755,1211 1.692,1212 1.946,1213 1.973,1214 1.07,1215 1.966,1216 1.524,1217 1.49,1218 1.779,1219 1.749,1220 1.047,1221 1.756,1222 1.492,1223 1.469,1224 1.621,1225 1.702,1226 0.836,1227 1.664,1228 1.41,1229 1.368,1230 1.577,1231 1.622,1232 0.825,1233 1.619,1234 1.158,1235 1.087,1236 1.513,1237 1.432,1238 0.825,1239 1.448,1240 4.635,1241 1.946,1242 5.969,1243 3.932,1244 7.506,1245 5.938,1246 9.137,1247 7.917,1248 10.818,1250 1.547,1252 28.582,1256 6.493,1257 5.345,1258 22.96,1260 -1.089,1261 2.344,1262 -1.257,1267 52.097,1268 136.718,1269 328.286,1270 436.525,1271 476.564,1272 478.564,1273 478.564,1274 123.444,1275 8.957,1276 111.25,1277 111.25,1278 33,1279 13.139,1280 4.459,1281 3.755,1282 71.162,1283 309,1284 328,1285 0.109,1286 310.972,1287 567.1,1288 750.532,1289 132058,1290 2.4,1291 32.097,1292 0.698,1293 0.555,1294 30.357,1295 25.522,1296 22.341,1297 0.438,1298 0.301,1299 15.063,1300 21.133,1301 14.836,1302 12.11,1303 21.536,1304 15.369,1305 20.088,1306 0.279,1307 0.16,1308 18.936,1309 11.493,1310 17.005,1311 0.181,1312 0.086,1313 16.135,1314 8.051,1315 13.747,1316 0.117,1317 0.045,1318 13.212,1319 5.31,1320 10.793,1321 0.074,1322 0.024,1323 10.293,1324 3.49,1325 0.179,1326 142.653,1327 0.171,1328 41.253,1329 0.279,1330 246,1331 886.591,1332 279.508,1333 775.37,1334 1032.91,1335 728,1336 292,1337 729.6,1338 326.08,1339 717.558,1340 1060.64,1341 676,1342 7.319}
{0 CHEMBL1908394,1 1.781,2 14,3 5.126,4 26.275,5 142.371,6 8.237,7 0.5,8 4.305,9 4.42,10 3.979,11 3.839,12 5.432,13 3.824,14 4.882,15 5.053,16 4.445,17 4.25,18 6.339,19 4.225,20 5.081,21 5.26,22 4.476,23 4.406,24 6.175,25 4.345,26 5.233,27 5.449,28 4.486,29 4.459,30 6.363,31 4.371,32 5.253,33 5.486,34 4.449,35 4.41,36 6.462,37 4.328,38 5.122,39 5.328,40 4.368,41 4.368,42 6.288,43 4.284,44 5.089,45 5.295,46 4.428,47 4.346,48 6.281,49 4.281,50 5.093,51 5.291,52 4.487,53 4.302,54 6.332,55 4.253,56 0.146,57 1.213,58 12.176,59 6.276,60 25.48,61 7.263,62 1.048,63 2.299,64 27.961,65 10.371,66 153.195,67 12.329,68 0.631,69 2.227,70 36.147,71 13.907,72 55.298,73 16.555,74 0.855,75 2.571,76 45.904,77 17.185,78 97.719,79 20.983,80 1.474,81 2.549,82 49.52,83 16.836,84 147.462,85 19.783,86 0.948,87 2.313,88 42.715,89 15.232,90 117.928,91 17.04,92 0.727,93 2.187,94 40.393,95 13.693,96 80.509,97 16.586,98 0.783,99 2.434,100 41.697,101 13.851,102 82.239,103 15.347,104 54,105 62,106 0.281,107 0.61,108 0.759,109 0.821,110 0.856,111 0.861,112 3.668,113 0.932,114 -4.6,115 -4.52,116 -4.25,118 40.9,119 1,123 1,124 5,126 1,130 1,138 8,139 3,140 1,142 1,148 2,149 1,151 1,153 1,156 1,157 1,158 1,163 9,166 1,167 8,169 1,170 1,173 10,176 1,177 10,182 1,184 6,186 1,187 2,188 8,190 1,191 1,193 1,195 6,197 1,199 2,200 2,202 1,203 1,208 9,212 2,213 7,218 2,221 6,223 2,224 1,225 10,227 1,228 1,230 3,233 3,235 3,236 1,237 9,242 4,245 3,247 4,248 2,249 5,254 2,257 6,259 2,260 2898,261 25.004,262 25.004,263 25.004,264 25.004,265 25.004,266 22.511,267 33.041,268 14.351,269 25.903,270 20.743,271 20.743,272 20.743,273 20.743,274 20.743,275 16.823,276 41.717,277 6.836,278 22.329,279 4.263,280 2.175,281 1.228,282 0.834,283 0.61,284 0.58,285 4.366,289 1,290 1148,291 4.416,293 194.633,294 371.666,297 164.75,301 2.316,302 56.813,305 0.75,306 0.83,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.78,313 85,314 532,315 4.641,316 4.473,317 7.279,318 4.289,319 3.398,320 4.57,321 3.825,322 12.394,323 3.083,324 4.564,325 3.584,326 6.752,327 4.148,328 3.222,329 4.074,330 1.151,331 11.077,332 3.001,333 4.366,334 3.267,335 6.444,336 3.923,337 2.981,338 4.014,339 0.98,340 9.953,341 2.789,342 3.838,343 3.225,344 6.05,345 3.607,346 2.677,347 3.216,348 0.916,349 8.522,350 2.496,351 3.782,352 3.022,353 5.72,354 3.539,355 2.63,356 2.938,357 0.8,358 7.828,359 2.321,360 3.633,361 2.775,362 5.539,363 3.337,364 2.388,365 2.921,366 0.172,367 7.312,368 2.254,369 3.462,370 2.627,371 5.128,372 3.146,373 2.198,374 2.547,376 6.312,377 2.077,378 3.294,379 2.37,380 4.984,381 2.9,382 1.96,383 2.495,385 5.529,386 1.819,387 3.084,388 2.151,389 4.799,390 2.821,391 1.894,392 2.288,394 5.413,395 1.746,396 3.007,397 1.983,398 4.636,399 2.657,400 1.68,401 2.051,403 4.546,404 1.63,405 2.875,406 1.499,407 4.485,408 2.366,409 1.424,410 2.006,411 4.055,412 1.331,413 2.607,414 1.349,415 3.975,416 2.134,417 1.18,418 1.65,419 3.021,420 1.106,421 2.583,422 1.314,423 3.794,424 2.061,425 1.131,426 1.617,427 2.833,428 1.043,429 2.384,430 1.146,431 3.585,432 1.967,433 1,434 1.313,435 2.461,436 0.965,437 2.256,438 1.109,439 3.529,440 1.941,441 0.985,442 1.128,443 2.275,444 0.933,445 17.857,446 0.47,447 1.248,448 0.033,449 45.5,450 1.197,451 20,452 0.526,453 25.5,454 0.671,455 38.98,456 1.026,457 42.143,458 0.639,459 41.255,460 1.086,461 9.07,462 0.239,463 9.027,464 0.238,465 0.145,466 0.028,467 0.347,469 3,471 0.645,472 1.117,473 0.69,474 1.031,475 0.599,476 0.946,477 0.627,478 0.744,479 0.742,480 0.8,481 0.348,482 0.791,483 0.77,484 0.936,485 0.928,486 1.116,487 0.563,488 1.062,489 0.724,490 1.043,491 0.924,492 1.13,493 0.677,494 1.052,495 0.993,496 0.888,497 0.968,498 0.85,499 0.963,500 0.877,501 1.134,502 0.996,503 1.215,504 1.072,505 1.136,506 1.034,507 0.789,508 0.914,509 1.018,510 1.049,511 0.751,512 0.934,513 1.024,514 1.203,515 1.046,516 1.221,517 1.051,518 1.067,519 9.5,520 0.344,521 4.889,522 3.326,523 2.541,524 1.379,525 1.061,526 0.966,527 0.688,528 0.423,529 22818,530 68915,531 2.059,532 42.4,534 22,536 1,537 2,539 3,542 1.789,543 1.892,544 3.737,545 0.201,550 117.578,551 1.781,552 3.87,553 4.817,554 5.211,555 5.434,556 5.465,557 3.249,558 4.86,559 5.218,560 3.944,561 2772.43,562 9.202,563 45852.4,568 398.93,569 1.636,570 5.156,571 0.226,572 0.008,573 0.079,574 0.054,575 0.041,576 0.023,577 0.019,578 0.016,579 0.012,580 0.009,581 0.487,582 0.17,583 0.75,584 0.811,585 210.842,586 -0.048,587 -0.132,588 0.053,589 -0.025,590 -0.086,591 0.006,592 0.257,593 0.285,594 0.153,595 0.179,596 0.405,597 0.141,598 -0.05,599 -0.086,600 0.001,601 -0.093,602 0.006,603 -0.074,604 0.067,605 -0.15,606 0.072,607 -0.091,608 0.054,609 -0.023,610 0.062,611 0.101,612 0.062,613 0.152,614 0.009,615 0.119,616 -0.147,617 0.034,618 -0.139,619 0.008,620 -0.137,621 -0.038,622 -0.043,623 -0.083,624 0.029,625 -0.008,626 0.005,627 0.055,628 -0.082,629 -0.212,630 0.026,631 -0.173,632 -0.084,633 -0.104,634 5.78,635 5.548,636 0.684,637 45.186,638 1.019,639 1.14,640 3.366,641 11.329,642 0.671,643 3.761,644 4.143,645 4.407,646 4.7,647 4.92,648 5.017,649 5.198,650 5.38,651 5.529,652 5.642,653 8.21,654 0.647,655 543.67,656 3.761,657 5.342,658 6.205,659 7.111,660 7.993,661 8.9,662 9.792,663 10.7,664 11.597,665 12.506,666 7.6,669 2,673 1,674 1,676 1,680 2,681 9,682 1,685 1,686 6,687 1,688 21,693 1,703 1,705 66,706 22,707 2,708 42,710 70,711 27,712 17,713 5,714 7,715 1,717 5,718 6,721 2,726 1,727 1,729 18,730 9,733 1,737 1,740 1,745 3,747 28,748 9,749 2,750 11,751 1,753 1,755 5,760 0.8,761 2,778 2,779 3,782 1,800 2,803 4,805 1,807 2,809 3,811 38,812 1,817 5,819 1,821 1,822 2,823 1,828 1,832 3,833 3,836 1,838 1,841 20.083,842 12.395,843 8.028,844 3.861,847 4.1,848 1.47,849 1.007,850 7.607,851 12.823,852 3.998,853 4.625,854 5.222,855 5.841,856 6.335,857 6.727,858 7.193,859 7.658,860 8.009,861 8.375,862 1,863 62,864 14.647,865 6.863,866 8.037,867 26.503,868 22.211,869 2.537,870 96.417,874 306.049,875 177.297,876 57.83,878 36.145,879 44.88,880 31.278,881 146.019,882 342.193,883 102.711,884 17.222,885 43.426,886 75.81,887 67.025,888 81.902,889 3.503,890 325.555,891 7.76,892 306.049,893 203.85,894 81.025,895 31.278,897 270.735,898 116.338,900 79.85,901 107.214,902 16.786,903 31.278,904 350.929,905 93.975,906 177.297,909 313.808,910 67.887,911 109.798,913 130.708,914 306.049,915 138.856,916 177.297,918 0.599,919 0.341,920 0.184,921 0.102,922 31,923 15,924 0.1,925 7,926 1,927 1.077,928 4.667,929 384.094,930 0.077,931 26,932 190.666,933 1,936 26.826,937 10.776,938 5.817,939 1.645,940 136.956,941 14.639,942 4.491,945 1.114,946 1.236,947 1.848,948 32.897,949 622.201,950 53.5,954 12.25,957 -0.715,960 67.265,961 75.247,962 0.295,963 0.64,964 0.797,965 0.862,966 0.899,967 0.904,968 5.279,969 1.96,970 6.24,971 6.312,972 4.828,973 5.313,974 3.328,975 7.111,976 4.686,977 6.512,978 1.894,979 7.843,980 5.529,981 4.635,982 5.247,983 3.919,984 8.244,985 4.355,986 7.844,987 1.68,988 9.552,989 5.413,990 6.518,991 7.539,992 5.45,993 11.307,994 6.224,995 9.211,996 1.424,997 11.324,998 4.546,999 7.107,1000 8.299,1001 6.691,1002 13.253,1003 6.67,1004 10.612,1005 1.18,1006 13.138,1007 4.055,1008 8.525,1009 10.107,1010 8.06,1011 15.9,1012 8.06,1013 12.036,1014 1.131,1015 14.981,1016 3.021,1017 9.449,1018 11.249,1019 9.389,1020 18.164,1021 8.855,1022 13.48,1023 1,1024 16.847,1025 2.833,1026 10.706,1027 12.865,1028 10.734,1029 20.689,1030 10.061,1031 3.398,1032 0.985,1033 18.729,1034 2.461,1035 11.777,1036 14.19,1037 12.074,1038 23.082,1039 11.019,1040 3.222,1041 12.394,1042 20.626,1043 2.275,1044 12.98,1045 15.727,1046 13.417,1047 25.575,1048 12.154,1049 2.981,1050 11.077,1051 22.534,1052 4.57,1053 14.117,1054 17.139,1055 14.758,1056 28.023,1057 13.188,1058 2.677,1059 9.953,1060 24.452,1061 4.074,1062 15.306,1063 18.645,1064 16.1,1065 30.511,1066 14.298,1067 2.63,1068 8.522,1069 26.377,1070 4.014,1071 16.473,1072 20.099,1073 17.441,1074 32.984,1075 15.368,1076 2.388,1077 7.828,1078 28.309,1079 3.216,1080 17.662,1081 21.596,1082 18.783,1083 35.475,1084 16.471,1085 2.198,1086 7.312,1087 30.247,1088 2.938,1089 18.845,1090 23.072,1091 20.124,1092 37.962,1093 17.559,1094 21602,1095 37959,1096 27.452,1097 44.296,1098 65.578,1099 64.755,1100 66.344,1101 64.856,1102 64.588,1103 81.685,1104 15.689,1105 194.998,1106 59.984,1107 5.641,1108 6.473,1109 6.957,1110 5.456,1111 5.398,1112 7.57,1113 5.335,1114 20.104,1115 5.083,1116 22.432,1117 1.561,1118 1.542,1119 1.58,1120 1.544,1121 1.538,1122 1.945,1123 0.374,1124 4.643,1125 1.428,1126 4.148,1127 4.182,1128 4.307,1129 4.061,1130 8.513,1131 4.054,1132 3.967,1133 3.99,1134 3.997,1135 3.892,1136 7.999,1137 3.893,1138 3.859,1139 3.918,1140 3.916,1141 3.834,1142 7.999,1143 3.786,1144 3.804,1145 3.824,1146 3.711,1147 3.617,1148 7.437,1149 3.629,1150 3.461,1151 3.525,1152 3.376,1153 3.279,1154 5.053,1155 3.295,1156 3.401,1157 3.46,1158 3.347,1159 3.228,1160 4.898,1161 3.217,1162 3.314,1163 3.362,1164 3.257,1165 3.01,1166 4.774,1167 3.065,1168 3.26,1169 3.334,1170 3.21,1171 3,1172 4.62,1173 3.028,1174 0.111,1175 0.107,1176 0.173,1177 0.102,1178 0.081,1179 4.641,1180 0.109,1181 4.473,1182 0.091,1183 7.279,1184 0.295,1185 4.289,1186 0.073,1187 3.398,1188 4.57,1189 3.825,1190 12.394,1191 3.083,1192 1.953,1193 1.925,1194 2.056,1195 2.069,1196 1.326,1197 2.07,1198 1.932,1199 1.911,1200 2.036,1201 2.028,1202 1.203,1203 2.028,1204 1.756,1205 1.683,1206 1.95,1207 1.961,1208 1.167,1209 1.963,1210 1.57,1211 1.554,1212 1.722,1213 1.755,1214 0.831,1215 1.733,1216 1.523,1217 1.507,1218 1.615,1219 1.7,1220 0.825,1221 1.686,1222 1.37,1223 1.309,1224 1.574,1225 1.599,1226 0.788,1227 1.606,1228 1.281,1229 1.202,1230 1.513,1231 1.54,1232 0.687,1233 1.555,1234 1.153,1235 1.064,1236 1.503,1237 1.44,1238 0.639,1239 1.429,1240 4.443,1242 5.808,1243 3.045,1244 7.349,1245 5.416,1246 8.971,1247 7.535,1248 10.636,1250 3.64,1252 40.644,1254 5.623,1256 4.865,1258 5.918,1260 -0.969,1261 4.717,1262 -4.53,1267 42.722,1268 117.578,1269 255.404,1270 317.91,1271 343.91,1272 358.665,1273 360.665,1274 88.952,1275 8.723,1276 76.62,1277 104.86,1278 28,1279 13.024,1280 4.524,1281 3.644,1282 59.042,1283 186,1284 217,1285 0.153,1286 260.212,1287 453.16,1288 626.678,1289 87950,1290 4.5,1291 27.026,1292 0.711,1293 0.575,1294 24.88,1295 21.85,1296 18.096,1297 0.431,1298 0.311,1299 12.07,1300 16.772,1301 11.729,1302 9.633,1303 17.293,1304 13.052,1305 17.739,1306 0.286,1307 0.17,1308 16.36,1309 10.535,1310 13.964,1311 0.172,1312 0.098,1313 14.135,1314 7.898,1315 11.905,1316 0.109,1317 0.052,1318 12.072,1319 5.622,1320 9.733,1321 0.072,1322 0.029,1323 9.676,1324 3.94,1325 0.241,1326 118.894,1327 0.191,1328 34.394,1329 0.415,1330 208,1331 772.557,1332 266.999,1333 683.72,1334 908,1335 636,1336 247,1337 633.799,1338 300.972,1339 638.183,1340 962.17,1341 598,1342 5}
{0 CHEMBL1908395,1 1.503,2 13.5,3 3.328,4 11.073,5 132.718,6 6.979,7 0.297,8 4.265,9 4.401,10 3.774,11 3.783,12 5.32,13 3.752,14 4.844,15 5.048,16 4.12,17 4.201,18 5.813,19 4.138,20 5.129,21 5.356,22 4.19,23 4.389,24 6.129,25 4.279,26 5.226,27 5.479,28 4.177,29 4.391,30 6.2,31 4.275,32 5.188,33 5.43,34 4.146,35 4.364,36 6.187,37 4.261,38 5.159,39 5.396,40 4.153,41 4.392,42 6.14,43 4.276,44 5.238,45 5.501,46 4.101,47 4.409,48 6.093,49 4.27,50 5.236,51 5.509,52 4.051,53 4.347,54 6.12,55 4.207,56 0.035,57 1.005,58 14.504,59 5.794,60 10.727,61 8.282,62 0.316,63 1.619,64 27.893,65 9.817,66 25.899,67 14.536,68 0.511,69 1.97,70 38.107,71 14.189,72 61.819,73 20.389,74 0.358,75 2.026,76 42.966,77 15.222,78 66.898,79 22.212,80 0.49,81 1.968,82 41.722,83 13.786,84 85.309,85 20.083,86 0.372,87 2.01,88 39.397,89 14.14,90 71.509,91 20.777,92 0.343,93 2.071,94 43.402,95 15.464,96 58.696,97 22.954,98 0.434,99 1.991,100 44.144,101 15.101,102 72.165,103 22.404,104 32,105 51,106 0.238,107 0.596,108 0.789,109 0.834,110 0.843,111 0.843,112 3.561,113 0.971,114 -3.56,115 -3.54,116 -3.37,118 39.4,120 6,121 1,123 2,124 3,132 1,133 1,138 3,139 2,140 1,142 1,147 1,151 3,154 1,163 14,166 1,167 2,170 2,172 2,173 18,176 4,177 1,180 2,181 1,182 3,184 17,188 5,191 1,193 3,195 13,200 10,205 5,208 11,212 1,213 10,216 1,218 6,221 10,225 10,230 3,233 6,237 14,240 1,242 3,245 2,249 11,254 3,260 2378,261 22.955,262 22.955,263 22.955,264 22.955,265 22.955,266 21.126,267 30.676,268 13.561,269 23.298,270 18.202,271 18.202,272 18.202,273 18.202,274 18.202,275 15.135,276 33.548,277 6.375,278 18.738,279 4.541,280 2.28,281 1.065,282 0.78,283 0.72,284 0.72,285 4.253,289 1,290 976,291 4,293 110.516,294 361.297,301 2.176,302 33.048,305 1,306 0.83,307 1,308 1,309 0.5,310 1,311 1,312 0.9,313 73,314 459,315 4.442,316 4.059,317 6.555,318 4.093,319 3.103,320 4.07,321 2.035,322 10.408,323 3.073,324 4.263,325 3.737,326 6.14,327 3.856,328 2.888,329 3.881,330 1.989,331 9.02,332 2.797,333 4.009,334 3.581,335 6.076,336 3.799,337 2.834,338 3.231,339 1.058,340 8.807,341 2.732,342 3.869,343 3.199,344 5.988,345 3.628,346 2.64,347 3.101,348 0.835,349 8.479,350 2.596,351 3.782,352 2.947,353 5.315,354 3.309,355 2.331,356 3.008,357 0.543,358 6.723,359 2.271,360 3.504,361 2.54,362 5.144,363 3.113,364 2.146,365 2.706,367 6.088,368 2.095,369 3.154,370 2.514,371 4.754,372 3.013,373 2.076,374 2.16,376 5.341,377 1.924,378 3.094,379 2.393,380 4.438,381 2.579,382 1.592,383 1.903,385 4.362,386 1.565,387 2.821,388 2.238,389 4.157,390 2.544,391 1.55,392 1.825,394 3.658,395 1.539,396 2.751,397 1.685,398 3.894,399 2.188,400 1.212,401 1.733,403 3.038,404 1.17,405 2.479,406 1.656,407 3.801,408 2.068,409 1.075,410 1.29,411 2.816,412 1.057,413 2.365,414 1.462,415 3.479,416 2,417 1,418 1.264,419 2.474,420 1,421 2.343,422 1.293,423 3.414,424 2,425 1,426 1.033,427 2.275,428 1,429 2.161,430 1.077,431 3.273,432 1.984,433 1,434 1.007,435 2.136,436 0.983,437 2.052,438 1.056,439 3.247,440 1.608,441 0.682,442 1,443 1.665,444 0.629,445 16.067,446 0.473,447 0.818,448 0.024,449 40.25,450 1.184,451 18,452 0.529,453 22.25,454 0.654,455 34.026,456 1.001,457 37.333,458 0.566,459 32.335,460 0.951,461 7.5,462 0.221,463 8.94,464 0.263,465 0.129,467 0.33,471 0.737,472 1.47,473 0.845,474 1.185,475 0.485,476 1.048,477 0.754,478 1.065,479 0.905,480 0.973,481 0.45,482 0.95,483 0.685,484 0.972,485 0.988,486 1.099,487 0.697,488 1.093,489 0.918,490 1.033,491 0.895,492 1.046,493 0.942,494 0.987,495 1.375,496 0.945,497 1.05,498 0.93,499 1.293,500 0.952,501 0.818,502 1.08,503 1.022,504 1.118,505 0.611,506 1.101,507 0.777,508 1.02,509 0.96,510 1.062,511 0.67,512 1.04,513 0.936,514 0.966,515 0.94,516 0.992,517 0.909,518 0.977,519 7,520 0.205,521 4,522 1.972,523 1.722,524 1.354,525 0.843,526 0.446,527 0.441,528 0.346,529 16678,530 41855,531 2.059,532 48.5,533 9,534 16,535 1,537 2,539 4,542 1.762,543 1.925,544 3.695,545 0.177,550 99.209,551 1.503,552 3.765,553 4.98,554 5.264,555 5.325,556 5.325,557 3.257,558 4.558,559 5.051,560 3.878,561 2175.75,562 8.878,563 33647.9,568 398.93,569 1.419,570 5.016,571 0.189,572 0.006,573 0.078,574 0.038,575 0.034,576 0.027,577 0.017,578 0.009,579 0.01,580 0.009,581 0.417,582 0.33,583 0.88,584 1.096,585 182.986,586 -0.027,587 -0.21,588 0.052,589 -0.06,590 0.031,591 -0.004,592 0.073,593 0.081,594 0.04,595 0.062,596 0.077,597 0.051,598 0.173,599 0.065,600 -0.036,601 -0.058,602 0.078,603 -0.077,604 0.017,605 -0.082,606 0.079,607 -0.026,608 0.018,609 0.026,610 -0.184,611 0.035,612 -0.052,613 0.067,614 -0.113,615 0.031,617 -0.056,618 -0.07,619 -0.088,620 0.093,621 -0.088,622 -0.022,623 -0.059,624 -0.003,625 -0.042,626 -0.001,627 -0.021,628 -0.02,629 -0.043,630 0.041,631 0.005,632 -0.023,633 0.026,634 2.028,635 5.767,636 0.676,637 42.291,638 0.996,639 1.133,640 2.332,641 5.438,642 0.649,643 3.638,644 3.951,645 4.205,646 4.443,647 4.654,648 4.754,649 4.898,650 5.037,651 5.187,652 5.298,653 7.819,654 0.612,655 460.64,656 3.638,657 5.176,658 6.019,659 6.889,660 7.75,661 8.625,662 9.494,663 10.373,664 11.247,665 12.127,666 9.1,669 1,673 2,674 1,675 1,676 1,681 4,682 1,683 1,686 5,688 11,689 1,694 1,705 66,706 15,707 1,708 37,710 69,711 26,712 9,713 3,714 3,715 3,717 4,718 4,724 6,725 1,727 6,728 1,729 13,730 12,731 1,733 3,737 2,738 1,740 3,747 32,748 7,749 2,750 8,753 1,755 6,760 1,761 2,778 1,779 3,791 1,795 1,796 1,800 1,803 4,807 2,811 34,817 9,818 1,821 1,822 2,825 1,829 1,831 1,833 3,836 2,841 17.667,842 12.383,843 7.556,844 4.199,847 2.276,848 1.292,849 0.969,850 7.824,851 10.072,852 3.882,853 4.379,854 4.899,855 5.389,856 5.796,857 6.096,858 6.336,859 6.63,860 6.949,861 7.285,862 1,863 52,864 12.638,865 5.36,866 7.755,867 24.414,868 20.272,869 2.255,870 76.667,874 353.133,875 128.679,876 88.89,878 50.29,881 128.679,882 403.423,883 88.89,884 16.793,885 42.659,886 46.952,887 95.414,888 66.039,889 11.771,890 341.362,892 353.133,893 217.568,894 50.29,897 306.049,898 97.374,900 98.713,901 92.593,902 26.262,904 353.133,905 139.18,906 128.679,909 353.133,910 48.332,911 69.994,912 51.398,913 98.135,914 353.133,915 139.18,916 128.679,918 0.578,919 0.333,920 0.177,921 0.095,922 23,923 11,924 0.087,925 6,927 1,928 4.449,929 313.904,931 23,932 166.974,936 24.198,937 10.994,938 5.961,940 122.394,941 7.721,942 4.019,943 2.768,946 3.383,948 34.796,949 620.991,950 47.5,954 25.175,955 2.279,957 1.089,960 65.752,961 74.806,962 0.249,963 0.623,964 0.824,965 0.871,966 0.881,967 0.881,968 5.14,969 1.592,970 5.999,971 5.341,972 4.635,973 5.066,974 2.981,975 6.79,976 4.582,977 6.325,978 1.55,979 7.548,980 4.362,981 4.205,982 4.808,983 1.738,984 7.653,985 4.133,986 7.617,987 1.212,988 9.195,989 3.658,990 6.213,991 7.137,992 4.082,993 10.726,994 6.111,995 8.94,996 1.075,997 10.899,998 3.038,999 6.594,1000 7.728,1001 3.224,1002 12.405,1003 6.476,1004 10.295,1005 1,1006 12.64,1007 2.816,1008 8.063,1009 9.516,1010 5.387,1011 14.982,1012 7.921,1013 11.672,1014 1,1015 14.406,1016 2.474,1017 8.813,1018 10.495,1019 4.689,1020 16.998,1021 8.657,1022 13.065,1023 1,1024 16.189,1025 2.275,1026 10.061,1027 12.061,1028 6.756,1029 19.398,1030 9.885,1031 3.103,1032 0.682,1033 17.986,1034 2.136,1035 10.989,1036 13.234,1037 6.118,1038 21.568,1039 10.799,1040 2.888,1041 10.408,1042 19.792,1043 1.665,1044 12.144,1045 14.703,1046 8.147,1047 23.904,1048 11.937,1049 2.834,1050 9.02,1051 21.606,1052 4.07,1053 13.157,1054 15.975,1055 7.524,1056 26.147,1057 12.939,1058 2.64,1059 8.807,1060 23.426,1061 3.881,1062 14.275,1063 17.4,1064 9.547,1065 28.463,1066 14.042,1067 2.331,1068 8.479,1069 25.251,1070 3.231,1071 15.332,1072 18.725,1073 8.915,1074 30.743,1075 15.087,1076 2.146,1077 6.723,1078 27.08,1079 3.101,1080 16.436,1081 20.13,1082 10.952,1083 33.056,1084 16.18,1085 2.076,1086 6.088,1087 28.914,1088 3.008,1089 17.515,1090 21.484,1091 10.3,1092 35.356,1093 17.249,1094 16131,1095 25792,1096 24.561,1097 42.841,1098 57.336,1099 59.698,1100 56.936,1101 54.994,1102 55.039,1103 67.878,1104 12.918,1105 155.887,1106 53.585,1107 5.442,1108 6.059,1109 6.357,1110 5.143,1111 5.103,1112 7.07,1113 4.069,1114 17.274,1115 5.073,1116 18.175,1117 1.55,1118 1.613,1119 1.539,1120 1.486,1121 1.488,1122 1.835,1123 0.349,1124 4.213,1125 1.448,1126 4.056,1127 4.093,1128 4,1129 3.982,1130 7.431,1131 3.979,1132 3.92,1133 3.974,1134 3.882,1135 3.729,1136 7.426,1137 3.762,1138 3.85,1139 3.904,1140 3.749,1141 3.726,1142 6.821,1143 3.721,1144 3.733,1145 3.788,1146 3.626,1147 3.589,1148 4.892,1149 3.593,1150 3.601,1151 3.68,1152 3.465,1153 3.397,1154 4.746,1155 3.405,1156 3.332,1157 3.377,1158 3.283,1159 3.103,1160 4.357,1161 3.141,1162 3.222,1163 3.268,1164 3.114,1165 3.009,1166 4.308,1167 3.023,1168 3.111,1169 3.206,1170 2.952,1171 2.945,1172 4.207,1173 2.935,1174 0.12,1175 0.11,1176 0.177,1177 0.111,1178 0.084,1179 4.442,1180 0.11,1181 4.059,1182 0.055,1183 6.555,1184 0.281,1185 4.093,1186 0.083,1187 3.103,1188 4.07,1189 2.035,1190 10.408,1191 3.073,1192 2.011,1193 1.984,1194 2.135,1195 2.103,1196 1.457,1197 2.114,1198 1.845,1199 1.794,1200 2.045,1201 2.002,1202 1.393,1203 2.016,1204 1.709,1205 1.657,1206 1.885,1207 1.892,1208 1.073,1209 1.895,1210 1.574,1211 1.502,1212 1.825,1213 1.827,1214 0.982,1215 1.826,1216 1.513,1217 1.462,1218 1.632,1219 1.741,1220 0.825,1221 1.72,1222 1.458,1223 1.417,1224 1.513,1225 1.654,1226 0.73,1227 1.617,1228 1.197,1229 1.134,1230 1.504,1231 1.45,1232 0.648,1233 1.448,1234 1.153,1235 1.064,1236 1.447,1237 1.376,1238 0.603,1239 1.429,1240 4.317,1242 5.631,1243 2.398,1244 7.132,1245 4.595,1246 8.714,1247 6.581,1248 10.341,1250 3.835,1256 8.225,1257 2.991,1260 0.388,1261 3.879,1265 8.981,1266 1.934,1267 40.406,1268 99.209,1269 248.469,1270 328.665,1271 347.42,1272 351.42,1273 351.42,1274 72.414,1275 7.796,1276 105.12,1277 105.12,1278 23,1279 12.664,1280 4,1281 3.524,1282 56.78,1283 153,1284 174,1285 0.174,1286 250.082,1287 444.3,1288 601.96,1289 25148,1291 24.079,1292 0.708,1293 0.586,1294 24.079,1295 19.933,1296 16.44,1297 0.444,1298 0.324,1299 11.816,1300 15.858,1301 11.495,1302 9.558,1303 16.44,1304 11.97,1305 14.737,1306 0.289,1307 0.184,1308 14.737,1309 9.373,1310 12.113,1311 0.184,1312 0.1,1313 12.113,1314 6.607,1315 9.955,1316 0.119,1317 0.057,1318 9.955,1319 4.783,1320 7.72,1321 0.074,1322 0.033,1323 7.72,1324 3.444,1325 0.275,1326 102.775,1327 0.202,1328 31.59,1329 0.474,1330 176,1331 482.717,1332 190.836,1333 472.942,1334 637.26,1335 440,1336 205,1337 458.949,1338 220.948,1339 469.617,1340 680.35,1341 439,1342 6.367}
{0 CHEMBL1908396,1 1.725,2 13.882,3 3.467,4 12.019,5 127.926,6 8.286,7 0.595,8 4.179,9 4.273,10 3.865,11 3.695,12 5.365,13 3.691,14 4.676,15 4.82,16 4.21,17 4.029,18 5.836,19 4.019,20 4.81,21 4.952,22 4.267,23 4.128,24 5.969,25 4.117,26 4.908,27 5.054,28 4.256,29 4.189,30 6.087,31 4.155,32 5.014,33 5.2,34 4.236,35 4.199,36 6.198,37 4.144,38 4.963,39 5.171,40 4.112,41 4.147,42 6.037,43 4.08,44 4.901,45 5.101,46 4.059,47 4.096,48 5.988,49 4.024,50 4.825,51 5.018,52 4.052,53 4.041,54 5.849,55 3.962,56 0.12,57 0.839,58 10.643,59 5.373,60 9.758,61 5.983,62 0.542,63 1.287,64 23.313,65 8.563,66 38.93,67 9.636,68 0.646,69 1.464,70 26.135,71 9.446,72 43.65,73 10.616,74 0.671,75 1.578,76 29.749,77 11.1,78 45.753,79 12.502,80 1.021,81 1.662,82 33.575,83 11.797,84 80.173,85 14.557,86 0.681,87 1.573,88 32.873,89 11.964,90 57.179,91 15.044,92 0.762,93 1.482,94 30.187,95 10.886,96 69.801,97 13.307,98 0.632,99 1.381,100 29.803,101 10.812,102 44.617,103 12.91,104 35,105 51,106 0.279,107 0.614,108 0.773,109 0.835,110 0.848,111 0.877,112 3.56,113 0.911,114 -1.72,115 -1.79,116 -1.81,118 41.4,119 1,123 3,126 1,138 6,139 1,140 6,141 2,142 1,147 1,152 1,154 1,163 2,167 11,170 2,171 1,172 2,173 3,176 1,177 8,180 2,182 3,184 4,187 3,188 5,193 2,195 5,199 4,200 4,203 3,205 3,208 4,212 1,213 5,221 4,224 1,225 6,228 1,230 2,233 4,236 2,237 7,242 1,245 2,248 1,249 4,252 1,254 3,260 2118,261 23.281,262 23.281,263 23.281,264 23.281,265 23.281,266 20.546,267 29.158,268 13.636,269 24.349,270 18.084,271 18.084,272 18.084,273 18.084,274 18.084,275 13.753,276 39.065,277 6.209,278 19.529,279 4.133,280 2.056,281 1.074,282 0.69,283 0.608,284 0.431,285 4.254,289 1,290 1012,291 4.062,293 111.91,294 315.11,298 169.572,301 2.256,302 34.222,305 1,306 0.67,307 1,308 0.6,310 1,311 1,312 0.75,313 75,314 472,315 4.575,316 3.585,317 6.585,318 4.099,319 3.135,320 4.513,321 1.659,322 10.529,323 3.023,324 4.283,325 3.329,326 6.197,327 3.886,328 2.933,329 3.921,330 0.86,331 9.273,332 2.789,333 4.08,334 3.15,335 6.044,336 3.726,337 2.81,338 3.575,339 0.86,340 8.662,341 2.571,342 3.991,343 3.027,344 6.037,345 3.582,346 2.652,347 3.493,348 0.86,349 8.625,350 2.457,351 3.678,352 2.961,353 5.4,354 3.277,355 2.335,356 2.994,357 0.86,358 7.015,359 2.184,360 3.509,361 2.549,362 5.092,363 3.085,364 2.15,365 2.798,366 0.564,367 6.11,368 1.993,369 3.327,370 2.228,371 4.97,372 2.859,373 1.908,374 2.63,375 0.133,376 5.701,377 1.809,378 2.999,379 1.967,380 4.488,381 2.581,382 1.663,383 2.22,385 4.379,386 1.511,387 2.956,388 1.932,389 4.354,390 2.532,391 1.588,392 2.073,394 4.164,395 1.495,396 2.854,397 1.827,398 4.074,399 2.425,400 1.464,401 1.959,403 3.582,404 1.392,405 2.692,406 1.471,407 3.886,408 2.256,409 1.347,410 1.751,411 3.079,412 1.214,413 2.123,414 1.014,415 3.263,416 1.684,417 0.772,418 1.005,419 1.833,420 0.692,421 2.118,422 1,423 3.2,424 1.569,425 0.67,426 0.927,427 1.446,428 0.595,429 1.909,430 0.959,431 3,432 1.444,433 0.618,434 0.804,435 1.372,436 0.486,437 1.771,438 0.94,439 2.977,440 1.415,441 0.542,442 0.639,443 1.01,444 0.481,445 16.1,446 0.474,447 0.742,448 0.022,449 46.75,450 1.375,451 24,452 0.706,453 22.75,454 0.669,455 28.055,456 0.825,457 36.7,458 0.633,459 38.204,460 1.124,461 9.515,462 0.28,463 7.001,464 0.206,465 0.145,467 0.342,471 0.889,472 1.317,473 0.716,474 1.061,475 0.703,476 0.93,477 1.188,478 0.982,479 0.848,480 0.845,481 0.783,482 0.747,483 1.216,484 1.052,485 0.999,486 0.989,487 1.11,488 0.924,489 1.146,490 1.216,491 1.165,492 1.213,493 1.102,494 1.135,495 0.994,496 0.925,497 0.891,498 0.934,499 1.316,500 1.037,501 0.962,502 0.997,503 0.833,504 0.92,505 1.075,506 0.962,507 1.112,508 0.892,509 0.919,510 0.848,511 1.257,512 0.978,513 1.043,514 1.013,515 0.97,516 1.013,517 0.692,518 1.022,519 7,520 0.227,521 3.778,522 2.153,523 2.441,524 1.052,525 0.879,526 0.572,527 0.365,528 0.298,529 17564,530 54100,531 2.059,532 41.4,534 16,535 1,536 2,537 2,539 3,542 1.758,543 1.925,544 3.74,545 0.235,547 1,550 100.075,551 1.725,552 3.802,553 4.784,554 5.168,555 5.25,556 5.427,557 3.282,558 4.676,559 5.058,560 3.941,561 2211.08,562 8.859,563 34684.5,568 339.763,569 1.419,570 5.016,571 0.189,572 0.008,573 0.074,574 0.04,575 0.046,576 0.021,577 0.019,578 0.014,579 0.009,580 0.008,581 0.429,582 0.33,583 0.88,584 0.865,585 184.239,586 -0.076,587 -0.185,588 0.065,589 -0.071,590 -0.078,591 -0.016,592 -0.08,593 0.08,594 0.102,595 0.15,596 0.039,597 0.176,598 -0.094,599 0.023,600 -0.087,601 -0.028,602 -0.113,603 -0.021,604 -0.065,605 -0.17,606 -0.221,607 -0.221,608 -0.061,609 -0.207,610 0.097,611 0.043,612 -0.037,613 -0.041,614 0.021,615 -0.091,616 -0.025,617 -0.062,618 0.037,619 -0.005,620 -0.001,621 0.031,622 -0.085,623 0.065,624 -0.046,625 0.058,626 -0.113,627 -0.012,628 -0.049,629 -0.057,630 0.005,631 -0.02,632 -0.018,633 -0.028,634 2.032,635 5.46,636 0.618,637 39.27,638 1.016,639 1.123,640 0.49,641 0.24,642 0.682,643 3.638,644 3.951,645 4.234,646 4.489,647 4.682,648 4.762,649 4.868,650 4.977,651 5.088,652 5.136,653 8.16,654 0.657,655 480.59,656 3.638,657 5.176,658 6.028,659 6.905,660 7.773,661 8.653,662 9.527,663 10.408,664 11.285,665 12.168,666 6.9,673 2,676 2,680 2,681 9,682 2,685 1,686 7,688 22,703 4,705 58,706 23,707 2,708 37,710 61,711 24,712 18,713 7,714 5,717 4,718 5,720 1,721 1,727 1,729 19,730 5,733 1,737 1,740 1,747 24,748 9,749 2,750 10,751 1,755 4,760 0.75,761 5,773 1,778 1,779 3,783 1,803 3,805 1,807 4,811 34,818 2,819 4,821 1,827 1,833 8.6,836 1,838 4,841 17.667,842 11.733,843 7.722,844 3.101,847 3.986,848 1.499,849 0.965,850 7.824,851 11.975,852 3.912,853 4.525,854 5.122,855 5.715,856 6.236,857 6.548,858 6.921,859 7.324,860 7.728,861 7.939,862 1,863 54,864 12.504,865 5.192,866 7.789,867 23.479,868 18.432,869 2.289,870 77.833,874 258.964,875 194.25,876 69.593,878 69.144,880 31.278,881 162.972,882 328.109,883 69.593,884 41.474,885 36.022,886 64.507,887 83.188,888 95.785,889 16.047,890 254.929,892 258.964,893 232.565,894 69.144,895 31.278,897 223.651,898 104.458,900 66.015,901 132.978,902 33.571,903 31.278,904 258.964,905 138.737,906 194.25,909 258.964,910 70.174,911 124.076,912 36.022,913 102.716,914 258.964,915 138.737,916 194.25,918 0.572,919 0.35,920 0.194,921 0.1,922 23,923 11,924 0.131,925 8,926 1,927 1.095,928 4.459,929 312.161,930 0.095,931 21,932 172.974,933 1,936 24.198,937 10.994,938 5.6,939 1.461,940 138.737,941 15.766,942 8.611,945 1.481,946 4.05,948 36.022,949 591.951,950 49,954 12.46,957 -0.365,960 58.956,961 65.112,962 0.295,963 0.649,964 0.817,965 0.882,966 0.896,967 0.926,968 5.139,969 1.663,970 6.009,971 5.701,972 4.635,973 5.212,974 2.506,975 6.817,976 4.497,977 6.348,978 1.588,979 7.567,980 4.379,981 4.205,982 5.037,983 1.195,984 7.703,985 4.04,986 7.658,987 1.464,988 9.222,989 4.164,990 6.229,991 7.442,992 2.765,993 10.786,994 5.982,995 9.005,996 1.347,997 10.933,998 3.582,999 6.621,1000 8.102,1001 2.324,1002 12.471,1003 6.332,1004 10.383,1005 0.772,1006 12.68,1007 3.079,1008 8.089,1009 9.965,1010 3.378,1011 15.06,1012 7.749,1013 11.781,1014 0.67,1015 14.451,1016 1.833,1017 8.858,1018 11.027,1019 3.415,1020 17.084,1021 8.469,1022 13.196,1023 0.618,1024 16.238,1025 1.446,1026 10.105,1027 12.668,1028 4.209,1029 19.497,1030 9.678,1031 3.135,1032 0.542,1033 18.038,1034 1.372,1035 11.052,1036 13.937,1037 4.478,1038 21.676,1039 10.578,1040 2.933,1041 10.529,1042 19.847,1043 1.01,1044 12.21,1045 15.484,1046 5.142,1047 24.025,1048 11.703,1049 2.81,1050 9.273,1051 21.664,1052 4.513,1053 13.241,1054 16.86,1055 5.522,1056 26.278,1057 12.691,1058 2.652,1059 8.662,1060 23.488,1061 3.921,1062 14.365,1063 18.369,1064 6.117,1065 28.607,1066 13.783,1067 2.335,1068 8.625,1069 25.316,1070 3.575,1071 15.436,1072 19.801,1073 6.554,1074 30.898,1075 14.816,1076 2.15,1077 7.015,1078 27.149,1079 3.493,1080 16.549,1081 21.297,1082 7.11,1083 33.224,1084 15.898,1085 1.908,1086 6.11,1087 28.986,1088 2.994,1089 17.642,1090 22.76,1091 7.577,1092 35.536,1093 16.955,1094 16807,1095 29673,1096 24.561,1097 39.557,1098 54.563,1099 56.017,1100 56.598,1101 54.04,1102 54.31,1103 71.879,1104 11.591,1105 155.338,1106 50.362,1107 5.483,1108 5.585,1109 6.182,1110 5.196,1111 5.135,1112 7.513,1113 2.921,1114 17.464,1115 5.023,1116 17.822,1117 1.475,1118 1.514,1119 1.53,1120 1.461,1121 1.468,1122 1.943,1123 0.313,1124 4.198,1125 1.361,1126 4.084,1127 4.1,1128 4.213,1129 3.997,1130 7.431,1131 4.008,1132 3.92,1133 3.947,1134 4.053,1135 3.847,1136 5.084,1137 3.828,1138 3.844,1139 3.869,1140 3.867,1141 3.804,1142 4.887,1143 3.755,1144 3.544,1145 3.57,1146 3.5,1147 3.372,1148 4.847,1149 3.392,1150 3.492,1151 3.537,1152 3.447,1153 3.286,1154 4.722,1155 3.293,1156 3.26,1157 3.32,1158 3.12,1159 3.003,1160 4.51,1161 3.025,1162 3.246,1163 3.312,1164 3.065,1165 2.961,1166 4.473,1167 2.975,1168 3.225,1169 3.294,1170 3.058,1171 2.958,1172 4.234,1173 2.969,1174 0.124,1175 0.097,1176 0.178,1177 0.111,1178 0.085,1179 4.575,1180 0.122,1181 3.585,1182 0.045,1183 6.585,1184 0.285,1185 4.099,1186 0.082,1187 3.135,1188 4.513,1189 1.659,1190 10.529,1191 3.023,1192 2.02,1193 2.006,1194 2.075,1195 2.123,1196 1.207,1197 2.108,1198 1.866,1199 1.848,1200 1.953,1201 1.994,1202 1.066,1203 1.979,1204 1.636,1205 1.59,1206 1.822,1207 1.834,1208 1.035,1209 1.836,1210 1.462,1211 1.439,1212 1.646,1213 1.678,1214 0.658,1215 1.664,1216 1.356,1217 1.325,1218 1.576,1219 1.525,1220 0.575,1221 1.54,1222 1.198,1223 1.144,1224 1.569,1225 1.521,1226 0.573,1227 1.531,1228 1.192,1229 1.12,1230 1.482,1231 1.504,1232 0.556,1233 1.517,1234 1.176,1235 1.117,1236 1.456,1237 1.459,1238 0.518,1239 1.449,1240 4.317,1242 5.631,1243 2.398,1244 7.141,1245 4.443,1246 8.745,1247 6.293,1248 10.4,1250 6.548,1257 5.667,1258 22.373,1260 -0.218,1267 38.115,1268 100.075,1269 220.499,1270 277.459,1271 299.724,1272 304.479,1273 314.743,1274 60.341,1275 7.989,1276 103.83,1277 132.07,1278 23,1279 12.703,1280 4.585,1281 3.7,1282 57.09,1283 168,1284 156,1285 0.165,1286 237.501,1287 408.14,1288 571.262,1289 35855,1291 24.079,1292 0.708,1293 0.586,1294 24.432,1295 19.934,1296 16.516,1297 0.446,1298 0.304,1299 10.199,1300 15.129,1301 9.788,1302 8.188,1303 16.97,1304 11.235,1305 14.365,1306 0.282,1307 0.159,1308 14.948,1309 8.114,1310 12.349,1311 0.182,1312 0.088,1313 13.065,1314 5.984,1315 10.392,1316 0.118,1317 0.046,1318 11.002,1319 4.013,1320 7.966,1321 0.074,1322 0.022,1323 8.266,1324 2.392,1325 0.264,1326 110.101,1327 0.202,1328 31.799,1329 0.437,1330 176,1331 605.494,1332 221.611,1333 585.618,1334 798.79,1335 552,1336 207,1337 570.1,1338 248.567,1339 587.54,1340 855.08,1341 548,1342 5.509}
{0 CHEMBL1908397,1 1.472,2 11.68,3 2.724,4 7.42,5 100.285,6 7.388,7 0.571,8 3.911,9 4.039,10 3.483,11 3.483,12 4.988,13 3.457,14 4.433,15 4.608,16 3.812,17 3.874,18 5.459,19 3.825,20 4.685,21 4.91,22 3.823,23 3.981,24 5.672,25 3.893,26 4.685,27 4.917,28 3.663,29 3.874,30 5.729,31 3.773,32 4.528,33 4.765,34 3.498,35 3.747,36 5.542,37 3.635,38 4.405,39 4.635,40 3.443,41 3.711,42 5.33,43 3.589,44 4.418,45 4.68,46 3.334,47 3.628,48 5.309,49 3.496,50 4.195,51 4.446,52 3.138,53 3.439,54 5.085,55 3.309,56 0.056,57 0.685,58 9.145,59 3.907,60 6.95,61 5.242,62 0.163,63 1.109,64 16.808,65 6.318,66 14.143,67 8.8,68 0.19,69 1.317,70 23.453,71 8.784,72 25.75,73 12.338,74 0.264,75 1.236,76 24.534,77 8.639,78 46.309,79 11.83,80 0.283,81 1.045,82 21.099,83 7.671,84 42.677,85 10.556,86 0.095,87 0.972,88 17.651,89 7.21,90 22.002,91 10.165,92 0.154,93 0.962,94 18.868,95 6.932,96 25.382,97 10.013,98 0.117,99 0.767,100 14.848,101 5.646,102 18.257,103 8.044,104 2,105 38,106 0.251,107 0.576,108 0.695,109 0.809,110 0.831,111 0.831,112 3.266,113 0.913,114 -3.62,115 -3.59,116 -3.42,118 44.4,124 4,132 2,138 8,139 3,142 1,148 1,151 1,161 1,163 12,166 1,167 4,172 2,173 14,177 7,180 1,182 3,184 11,188 6,193 3,195 7,200 3,203 1,205 3,208 7,213 4,218 4,221 7,225 4,230 3,233 8,237 1,242 1,245 7,249 2,252 2,254 1,257 4,260 873,261 17.413,262 17.413,263 17.413,264 17.413,265 17.413,266 15.36,267 10.372,268 10.451,269 17.65,270 13.826,271 13.826,272 13.826,273 13.826,274 13.826,275 10.67,276 13.198,277 4.96,278 14.164,279 4.019,280 2.116,281 1.422,282 0.756,283 0.622,284 0.622,285 3.97,287 1,288 1,289 1,290 649,291 2.828,293 58.768,294 241.746,297 109.851,301 1.904,302 16.341,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 53,314 292,315 4.533,316 3.693,317 6.526,318 4.045,319 3.063,320 4.486,321 1.2,322 10.265,323 3.005,324 4.264,325 3.063,326 6.391,327 3.957,328 2.973,329 3.811,330 0.4,331 9.667,332 2.926,333 3.864,334 2.578,335 5.42,336 3.499,337 2.514,338 3.237,339 0.293,340 7.116,341 2.476,342 3.467,343 2.419,344 5.171,345 3.108,346 2.139,347 2.815,349 6.188,350 2.064,351 3.281,352 2.034,353 5.073,354 2.949,355 1.972,356 2.43,358 5.877,359 1.923,360 3.046,361 1.838,362 4.186,363 2.528,364 1.546,365 2.318,367 3.765,368 1.516,369 2.775,370 1.667,371 3.899,372 2.45,373 1.497,374 1.81,376 3.319,377 1.423,378 2.66,379 1.546,380 3.593,381 2.197,382 1.205,383 1.671,385 2.815,386 1.194,387 2.5,388 1.203,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.405,397 1.146,398 3.377,399 1.967,400 1,401 1.25,403 2.136,404 0.965,405 2.112,406 1,407 3.247,408 1.868,409 0.878,410 1,411 2.07,412 0.863,413 2,414 0.809,415 3.232,416 1.716,417 0.709,418 0.944,419 1.681,420 0.709,421 1.958,422 0.435,423 2.97,424 1.38,425 0.386,426 0.595,427 0.917,428 0.383,429 1.027,430 -0.101,431 2.373,432 0.626,433 -0.379,434 -0.488,435 -0.904,436 -0.378,437 0.7,438 -0.405,439 2.104,440 0.247,441 -0.745,442 -0.814,443 -1.61,444 -0.734,445 11.933,446 0.477,447 0.448,448 0.018,449 33,450 1.32,451 17,452 0.68,453 16,454 0.64,455 17.41,456 0.696,457 25.867,458 0.575,459 22.991,460 0.92,461 6.78,462 0.271,463 5.53,464 0.221,465 0.028,467 0.285,471 0.734,472 1.155,473 0.787,474 0.975,475 0.562,476 0.897,477 0.922,478 1.128,479 0.961,480 0.983,481 0.639,482 0.965,483 0.925,484 0.999,485 0.955,486 1.013,487 0.777,488 0.986,489 1.561,490 1.006,491 1.127,492 1.021,493 1.881,494 1.032,495 1.349,496 0.855,497 1.065,498 0.91,499 1.781,500 0.961,501 0.638,502 1.112,503 0.969,504 1.138,505 0.634,506 1.105,507 0.81,508 0.936,509 0.956,510 0.954,511 0.671,512 0.966,513 0.821,514 0.942,515 0.989,516 1.002,517 0.821,518 1.013,519 3.5,520 0.115,521 2.889,522 1.479,523 0.796,524 0.486,525 0.372,526 0.205,527 0.108,528 0.128,529 8527,530 20263,531 2.179,532 44.4,534 18,537 2,542 1.672,543 2.113,544 3.504,545 0.233,546 1,547 1,550 66.256,551 1.472,552 3.376,553 4.07,554 4.736,555 4.87,556 4.87,557 2.919,558 4.214,559 4.618,560 3.671,561 1101.36,562 7.942,563 13891,565 1,567 1,568 247.133,569 1.078,570 4.606,571 0.125,572 0.007,573 0.076,574 0.04,575 0.027,576 0.019,577 0.015,578 0.009,579 0.006,580 0.008,581 0.332,582 0.5,583 1,584 0.372,585 123.075,586 0.04,587 0.001,588 0.056,589 0.017,590 -0.012,591 0.033,592 -0.022,593 -0.012,594 -0.06,595 -0.021,596 -0.008,597 -0.038,598 -0.011,599 0.005,600 0.001,601 -0.033,602 0.068,603 -0.013,604 -0.198,605 -0.056,606 -0.117,607 -0.049,608 -0.166,609 -0.07,610 -0.095,611 0.077,612 -0.061,613 0.081,614 -0.173,615 0.021,616 0.01,617 -0.164,618 -0.033,619 -0.117,620 0.013,621 -0.089,622 -0.04,623 0.006,624 0.027,625 0.036,626 0.015,627 0.04,628 -0.05,629 -0.003,630 -0.019,632 -0.061,633 -0.003,634 1.559,635 5.469,636 0.84,637 23.357,638 0.996,639 1.123,640 2.39,641 5.71,642 0.679,643 3.367,644 3.664,645 3.951,646 4.174,647 4.344,648 4.317,649 4.419,650 4.489,651 4.489,652 4.595,653 6.868,654 0.645,655 332.44,656 3.367,657 4.89,658 5.74,659 6.6,660 7.461,661 8.326,662 9.191,663 10.057,664 10.924,665 11.792,666 8.9,668 1,673 1,674 1,676 1,680 2,681 8,682 1,683 1,686 3,688 16,695 1,705 45,706 18,707 2,708 28,710 48,711 20,712 13,713 4,714 8,715 3,717 4,718 5,729 16,730 4,733 2,737 1,738 2,740 1,743 1,744 1,747 20,748 4,749 2,750 5,755 4,760 0.75,761 1,771 1,778 1,779 3,782 1,795 2,799 1,803 3,811 25,817 4,818 1,822 1,833 2.2,836 1,841 11.833,842 7.9,843 5.528,844 2.725,847 3.813,848 1.518,849 1.03,850 4.53,851 11.177,852 3.664,853 4.245,854 4.878,855 5.45,856 5.943,857 6.239,858 6.66,859 7.041,860 7.276,861 7.737,862 0.875,863 37,864 9.239,865 3.93,866 7.62,867 17.912,868 14.845,869 2.12,870 53,873 1,874 211.88,875 121.735,876 54.461,878 25.145,881 121.735,882 237.025,883 54.461,885 11.547,886 112.773,887 46.513,888 27.751,889 2.757,890 211.88,892 211.88,893 176.196,894 25.145,897 211.88,898 25.145,900 48.365,901 92.215,902 35.616,904 211.88,905 79.606,906 121.735,909 211.88,910 26.972,911 97.887,912 34.674,913 41.808,914 211.88,915 79.606,916 121.735,918 0.574,919 0.342,920 0.184,921 0.095,922 19,923 7,924 0.063,925 3,926 1,927 1.095,928 3.92,929 202.21,930 0.095,931 21,932 105.342,936 15.915,937 7.116,938 3.444,939 2.059,940 62.943,941 15.767,942 4.288,943 3.053,946 2.776,948 34.674,949 413.221,950 38,954 12.469,955 4.043,957 0.108,960 44.803,961 50.524,962 0.268,963 0.615,964 0.741,965 0.862,966 0.887,967 0.887,968 4.875,969 1.205,970 5.694,971 3.319,972 4.344,973 4.931,974 1.435,975 6.472,976 4.302,977 6.061,978 1,979 7.229,980 2.815,981 3.761,982 4.605,983 0.325,984 7.318,985 3.705,986 7.352,987 1,988 8.869,989 2.275,990 5.9,991 7.139,992 1.523,993 10.419,994 5.82,995 8.684,996 0.878,997 10.574,998 2.136,999 6.217,1000 7.757,1001 0.653,1002 12.144,1003 6.126,1004 10.054,1005 0.709,1006 12.322,1007 2.07,1008 7.755,1009 9.684,1010 1.741,1011 14.73,1012 7.641,1013 11.452,1014 0.386,1015 14.099,1016 1.681,1017 8.489,1018 10.749,1019 1.001,1020 16.798,1021 8.363,1022 12.87,1023 -0.379,1024 15.896,1025 0.917,1026 9.775,1027 12.423,1028 1.993,1029 19.211,1030 9.629,1031 3.063,1032 -0.745,1033 17.709,1034 -0.904,1035 10.707,1036 13.707,1037 1.37,1038 21.419,1039 10.546,1040 2.973,1041 10.265,1042 19.533,1043 -1.61,1044 11.886,1045 15.272,1046 2.264,1047 23.769,1048 11.706,1049 2.514,1050 9.667,1051 21.366,1052 4.486,1053 12.91,1054 16.664,1055 1.754,1056 26.035,1057 12.714,1058 2.139,1059 7.116,1060 23.205,1061 3.811,1062 14.044,1063 18.183,1064 2.551,1065 28.361,1066 13.83,1067 1.972,1068 6.188,1069 25.05,1070 3.237,1071 15.112,1072 19.627,1073 2.143,1074 30.653,1075 14.88,1076 1.546,1077 5.877,1078 26.899,1079 2.815,1080 16.228,1081 21.129,1082 2.851,1083 32.971,1084 15.978,1085 1.497,1086 3.765,1087 28.751,1088 2.43,1089 17.316,1090 22.598,1091 2.535,1092 35.274,1093 17.048,1094 7883,1095 12265,1096 19.474,1097 30.569,1098 42.444,1099 42.775,1100 42.43,1101 41.793,1102 41.765,1103 55.734,1104 3.786,1105 116.181,1106 40.892,1107 5.533,1108 5.693,1109 6.328,1110 5.112,1111 5.063,1112 7.486,1113 2.293,1114 17.009,1115 5.005,1116 6.241,1117 1.516,1118 1.528,1119 1.515,1120 1.493,1121 1.492,1122 1.991,1123 0.135,1124 4.149,1125 1.46,1126 4.111,1127 4.149,1128 4.074,1129 4.016,1130 7.428,1131 4.024,1132 3.95,1133 3.984,1134 3.896,1135 3.874,1136 5.093,1137 3.874,1138 3.771,1139 3.838,1140 3.659,1141 3.58,1142 4.728,1143 3.591,1144 3.477,1145 3.528,1146 3.387,1147 3.366,1148 4.413,1149 3.364,1150 3.271,1151 3.323,1152 3.197,1153 3.072,1154 4.377,1155 3.094,1156 3.111,1157 3.206,1158 2.952,1159 2.941,1160 4.124,1161 2.91,1162 3.054,1163 3.126,1164 2.866,1165 2.832,1166 3.703,1167 2.852,1168 2.866,1169 2.931,1170 2.733,1171 2.735,1172 3.674,1173 2.725,1174 0.162,1175 0.132,1176 0.233,1177 0.144,1178 0.109,1179 4.533,1180 0.16,1181 3.693,1182 0.043,1183 6.526,1184 0.367,1185 4.045,1186 0.107,1187 3.063,1188 4.486,1189 1.2,1190 10.265,1191 3.005,1192 1.964,1193 1.942,1194 2.059,1195 2.053,1196 1.255,1197 2.054,1198 1.904,1199 1.881,1200 2.007,1201 1.994,1202 1.163,1203 2.001,1204 1.731,1205 1.66,1206 1.941,1207 1.932,1208 1.091,1209 1.942,1210 1.521,1211 1.47,1212 1.657,1213 1.742,1214 0.825,1215 1.712,1216 1.168,1217 1.118,1218 1.513,1219 1.432,1220 0.704,1221 1.429,1222 1.153,1223 1.064,1224 1.318,1225 1.376,1226 0.395,1227 1.402,1228 0.993,1229 0.934,1230 1.212,1231 1.262,1232 0.291,1233 1.255,1234 0.886,1235 0.821,1236 1.181,1237 1.062,1238 0.218,1239 1.107,1240 4.043,1242 5.342,1243 2.398,1244 6.845,1245 4.727,1246 8.431,1247 6.823,1248 10.057,1256 3.274,1257 3.262,1261 1.901,1267 29.015,1268 66.256,1269 151.914,1270 183.133,1271 213.133,1272 219.133,1273 219.133,1274 33.477,1275 7.364,1276 61.02,1277 61.02,1278 23,1279 12.337,1280 4.248,1281 3.459,1282 36.262,1283 105,1284 88,1285 0.168,1286 177.871,1287 301.45,1288 425.764,1289 17016,1291 17.062,1292 0.682,1293 0.556,1294 17.062,1295 13.905,1296 12.31,1297 0.44,1298 0.304,1299 8.427,1300 11.939,1301 8.276,1302 6.842,1303 12.31,1304 8.524,1305 10.661,1306 0.281,1307 0.162,1308 10.661,1309 6.152,1310 9.456,1311 0.185,1312 0.088,1313 9.456,1314 4.495,1315 7.713,1316 0.121,1317 0.048,1318 7.713,1319 3.073,1320 6.066,1321 0.08,1322 0.027,1323 6.066,1324 2.055,1325 0.271,1326 76.418,1327 0.227,1328 24.812,1329 0.439,1330 132,1331 343.691,1332 141.458,1333 339.888,1334 473.47,1335 320,1336 155,1337 355.031,1338 165.624,1339 361.553,1340 527.98,1341 342,1342 7.745}
{0 CHEMBL191003,1 2.109,2 11.074,3 2.35,4 5.521,5 95.039,6 10.113,7 0.586,8 3.831,9 3.929,10 3.765,11 3.35,12 5.175,13 3.377,14 4.294,15 4.403,16 4.067,17 3.692,18 5.973,19 3.726,20 4.516,21 4.664,22 4.096,23 3.74,24 6.069,25 3.787,26 4.554,27 4.712,28 4.082,29 3.625,30 6.416,31 3.691,32 4.417,33 4.611,34 3.837,35 3.475,36 5.937,37 3.54,38 4.269,39 4.458,40 3.821,41 3.419,42 5.905,43 3.466,44 4.198,45 4.384,46 3.609,47 3.348,48 5.662,49 3.355,50 4.157,51 4.363,52 3.564,53 3.28,54 5.69,55 3.266,56 0.28,57 0.806,58 5.893,59 3.296,60 51.983,61 2.568,62 0.606,63 1.202,64 9.485,65 5.675,66 100.388,67 5.195,68 0.899,69 1.4,70 14.956,71 6.625,72 134.378,73 5.539,74 1.301,75 1.388,76 16.792,77 6.27,78 212.248,79 5.613,80 0.974,81 1.096,82 15.43,83 4.543,84 144.126,85 4.411,86 0.731,87 1.1,88 12.195,89 4.218,90 95.054,91 4.437,92 0.721,93 0.9,94 10.559,95 3.884,96 97.31,97 3.563,98 0.71,99 0.783,100 13.325,101 4.612,102 102.648,103 5.149,104 51,105 43,106 0.369,107 0.67,108 0.765,109 0.826,110 0.826,111 0.826,112 3.34,113 0.913,114 -4.08,115 -4.02,116 -3.81,118 38.5,138 7,139 1,140 4,146 1,151 1,155 1,156 2,157 2,158 2,159 1,163 4,166 4,167 2,169 4,170 6,172 2,173 5,176 1,177 5,179 1,180 2,182 4,184 3,186 2,187 1,188 13,190 1,191 1,192 1,193 3,194 1,197 3,200 10,203 1,205 1,213 5,216 2,217 1,218 4,220 1,223 4,225 3,230 5,233 2,235 3,236 4,237 2,239 2,240 2,242 1,245 2,248 2,251 1,252 1,257 4,260 1064,261 17.264,262 17.264,263 17.264,264 17.264,265 17.264,266 14.707,267 22.758,268 9.764,269 17.762,270 14.26,271 14.26,272 14.26,273 14.26,274 14.26,275 10.359,276 34.444,277 4.596,278 15.122,279 3.177,280 1.459,281 0.914,282 0.564,283 0.564,284 0.564,285 4.01,288 1,289 1,290 626,291 3.742,293 80.447,294 194.893,301 1.786,302 59.349,305 1,306 0.83,307 1,308 0.4,310 0.83,311 0.5,312 0.65,313 63,314 299,315 4.801,316 4.661,317 7.111,318 4.229,319 3.314,320 4.66,321 0.98,322 11.657,323 3.096,324 4.565,325 3.763,326 6.848,327 4.176,328 3.212,329 4.238,330 0.4,331 11.222,332 3,333 4.236,334 3.119,335 6.215,336 3.78,337 2.849,338 3.902,340 9.139,341 2.643,342 3.893,343 2.854,344 5.523,345 3.469,346 2.508,347 3.43,349 7.426,350 2.41,351 3.462,352 2.592,353 5.069,354 3.004,355 2.045,356 2.762,358 5.962,359 1.95,360 3.232,361 2.528,362 4.841,363 2.787,364 1.879,365 2.481,367 5.104,368 1.678,369 3.146,370 1.973,371 4.713,372 2.687,373 1.723,374 2.355,376 4.781,377 1.654,378 2.962,379 1.607,380 4.534,381 2.477,382 1.512,383 2.127,385 4.416,386 1.451,387 2.706,388 1.356,389 4.028,390 2.232,391 1.258,392 1.776,394 3.163,395 1.219,396 2.5,397 1.238,398 3.51,399 2,400 1,401 1.5,403 2.275,404 1,405 2.269,406 1,407 3.414,408 1.726,409 0.737,410 1.066,411 1.888,412 0.715,413 1.314,414 0.848,415 3,416 0.959,417 0.029,418 0.035,419 0.078,420 0.027,421 1.171,422 0.474,423 2.634,424 0.74,425 -0.197,426 -0.249,427 -0.482,428 -0.175,429 1,430 0.159,431 2.567,432 0.557,433 -0.347,434 -0.445,435 -0.757,436 -0.303,437 1,438 -0.098,439 2.352,440 0.306,441 -0.62,442 -0.756,443 -1.495,444 -0.569,445 12.305,446 0.456,447 1.008,448 0.037,449 39.25,450 1.454,451 21.5,452 0.796,453 17.75,454 0.657,455 17.715,456 0.656,457 29.695,458 0.761,459 32.922,460 1.219,461 7.94,462 0.294,463 4.724,464 0.175,465 0.193,466 0.068,467 0.358,470 2,471 0.646,472 1.041,473 0.758,474 1.125,475 0.716,476 0.77,477 0.55,478 0.967,479 0.806,480 1.087,481 0.56,482 0.952,483 1.151,484 1.192,485 1.03,486 1.073,487 1.067,488 1.004,489 0.97,490 1.045,491 0.992,492 1.045,493 0.945,494 1.083,495 1.17,496 0.934,497 0.86,498 0.672,499 1.132,500 0.816,501 0.766,502 0.941,503 0.83,504 0.838,505 0.672,506 0.904,507 1.116,508 0.933,509 1.133,510 0.961,511 1.064,512 1.184,513 0.797,514 0.728,515 0.836,516 0.784,517 0.845,518 0.929,519 7.5,520 0.132,521 3.778,522 3.007,523 1.526,524 1.091,525 0.719,526 0.371,527 0.314,528 0.29,529 8604,530 38044,531 1.963,532 30.8,534 7,537 5,542 1.698,543 1.77,544 3.394,545 2.694,546 1,547 1,550 82.243,551 2.109,552 3.826,553 4.371,554 4.721,555 4.721,556 4.721,557 2.908,558 3.912,559 4.727,560 3.624,561 1272.16,562 8.189,563 16517.3,565 1,567 1,568 206.131,569 1.74,570 4.637,571 0.259,572 0.007,573 0.088,574 0.07,575 0.038,576 0.033,577 0.022,578 0.015,579 0.014,580 0.013,581 0.558,582 0.17,583 1,584 0.857,585 134.659,586 -0.067,587 -0.029,588 0.128,589 -0.004,590 -0.17,591 0.103,592 0.175,593 0.01,594 -0.017,595 -0.092,596 0.151,597 -0.076,598 -0.226,599 -0.193,600 -0.149,601 -0.116,602 -0.153,603 -0.082,604 0.123,605 -0.021,606 -0.098,607 -0.148,608 0.153,609 -0.18,610 -0.225,611 -0.076,612 -0.033,613 0.101,614 -0.212,615 0.111,616 0.086,617 0.032,618 0.019,619 -0.001,620 0.097,621 0.007,622 -0.223,623 0.053,624 -0.273,625 -0.09,626 -0.22,627 -0.258,628 0.068,629 0.079,630 0.157,631 0.131,632 0.001,633 0.144,634 4.761,635 5.768,636 0.63,637 24.735,638 1.057,639 1.151,640 2.847,641 8.105,642 0.691,643 3.401,644 3.784,645 4.007,646 4.234,647 4.344,648 4.419,649 4.466,650 4.533,651 4.575,652 4.727,653 6.705,654 0.701,655 394.4,656 3.401,657 4.977,658 5.826,659 6.725,660 7.589,661 8.488,662 9.358,663 10.256,664 11.129,665 12.027,666 15.4,670 2,674 2,676 2,681 7,682 2,686 7,687 1,688 17,698 1,699 1,704 2,705 39,706 20,707 2,708 29,710 41,711 15,712 14,713 5,714 7,715 1,717 3,718 3,729 15,733 3,736 1,737 3,740 1,744 1,745 2,747 12,748 10,749 5,750 12,751 1,755 6,760 1,761 3,778 1,779 2,803 3,805 1,809 2,811 27,812 2,815 1,818 1,830 1,832 2,833 7.7,836 3,841 15.25,842 6.802,843 5.722,844 1.896,847 3.242,848 1.451,849 1.017,850 4.934,851 10.433,852 3.726,853 4.41,854 4.926,855 5.471,856 5.867,857 6.108,858 6.397,859 6.7,860 7.025,861 7.468,862 1,863 43,864 10.298,865 4.93,866 8.602,867 17.526,868 14.26,869 3.102,870 83.75,874 82.398,875 106.379,876 117.424,878 69.458,879 29.92,880 5.807,881 100.572,882 151.856,883 147.345,886 136.33,887 107.611,888 47.422,889 31.819,890 82.398,892 82.398,893 217.996,894 99.378,895 5.807,897 112.318,898 69.458,900 23.586,901 160.962,902 39.256,904 112.318,905 186.882,906 106.379,908 5.807,909 82.398,910 34.238,911 68.11,912 18.011,913 197.015,914 82.398,915 216.803,916 106.379,918 0.605,919 0.346,920 0.175,921 0.083,922 21,923 11,924 0.098,925 4,927 1,928 3.742,929 227.134,931 17,932 116.382,935 1,936 18.92,937 7.042,938 3.955,940 215.026,941 8.232,942 7.571,946 -3.225,947 0.544,948 82.199,949 405.579,950 40.5,953 -3.844,954 34.78,957 -1.131,960 41.229,961 44.878,962 0.399,963 0.724,964 0.827,965 0.893,966 0.893,967 0.893,968 4.985,969 1.512,970 5.883,971 4.781,972 4.466,973 5.097,974 1.176,975 6.758,976 4.351,977 6.266,978 1.258,979 7.501,980 4.416,981 4.369,982 5.263,984 7.96,985 4.154,986 7.637,987 1,988 9.226,989 3.163,990 6.18,991 7.447,992 1.063,993 10.982,994 5.935,995 9.046,996 0.737,997 11.013,998 2.275,999 6.836,1000 8.377,1002 12.954,1003 6.486,1004 10.487,1005 0.029,1006 12.841,1007 1.888,1008 8.219,1009 10.121,1010 1.022,1011 15.575,1012 7.835,1013 11.95,1014 -0.197,1015 14.697,1016 0.078,1017 9.182,1018 11.373,1020 17.833,1021 8.699,1022 13.43,1023 -0.347,1024 16.572,1025 -0.482,1026 10.422,1027 12.963,1028 0.993,1029 20.329,1030 9.894,1031 3.314,1032 -0.62,1033 18.463,1034 -0.757,1035 11.509,1036 14.354,1038 22.694,1039 10.893,1040 3.212,1041 11.657,1042 20.365,1043 -1.495,1044 12.702,1045 15.889,1046 0.967,1047 25.15,1048 12.031,1049 2.849,1050 11.222,1051 22.276,1052 4.66,1053 13.84,1054 17.344,1056 27.558,1057 13.09,1058 2.508,1059 9.139,1060 24.194,1061 4.238,1062 15.019,1063 18.861,1064 0.942,1065 30.002,1066 14.207,1067 2.045,1068 7.426,1069 26.117,1070 3.902,1071 16.179,1072 20.347,1074 32.428,1075 15.294,1076 1.879,1077 5.962,1078 28.045,1079 3.43,1080 17.356,1081 21.861,1082 0.917,1083 34.868,1084 16.406,1085 1.723,1086 5.104,1087 29.976,1088 2.762,1089 18.527,1090 23.363,1092 37.303,1093 17.506,1094 8515,1095 18059,1096 18.205,1097 26.966,1098 44.817,1099 47.088,1100 46.439,1101 44.294,1102 44.134,1103 60.668,1104 2.76,1105 134.225,1106 41.689,1107 5.592,1108 6.661,1109 6.657,1110 5.296,1111 5.314,1112 7.66,1113 1.96,1114 19.075,1115 5.096,1116 17.754,1117 1.545,1118 1.624,1119 1.601,1120 1.527,1121 1.522,1122 2.092,1123 0.095,1124 4.628,1125 1.438,1126 4.076,1127 4.088,1128 4.728,1129 4.051,1130 8.211,1131 3.969,1132 3.986,1133 3.998,1134 3.996,1135 3.861,1136 8.191,1137 3.874,1138 3.815,1139 3.861,1140 3.811,1141 3.608,1142 7.726,1143 3.623,1144 3.617,1145 3.618,1146 3.669,1147 3.479,1148 7.428,1149 3.448,1150 3.145,1151 3.17,1152 3.103,1153 2.944,1154 6.999,1155 2.973,1156 2.956,1157 3.076,1158 2.913,1159 2.735,1160 5.23,1161 2.753,1162 2.937,1163 2.985,1164 2.831,1165 2.73,1166 4.835,1167 2.715,1168 2.854,1169 2.925,1170 2.687,1171 2.658,1172 4.741,1173 2.681,1174 0.166,1175 0.161,1176 0.245,1177 0.146,1178 0.114,1179 4.801,1180 0.161,1181 4.661,1182 0.034,1183 7.111,1184 0.402,1185 4.229,1186 0.107,1187 3.314,1188 4.66,1189 0.98,1190 11.657,1191 3.096,1192 1.954,1193 1.96,1194 1.983,1195 2.031,1196 1.15,1197 2.063,1198 1.888,1199 1.87,1200 1.959,1201 2.01,1202 1.047,1203 1.989,1204 1.486,1205 1.504,1206 1.514,1207 1.737,1208 0.549,1209 1.716,1210 1.423,1211 1.361,1212 1.374,1213 1.698,1214 0.432,1215 1.681,1216 1.21,1217 1.151,1218 1.232,1219 1.497,1220 0.218,1221 1.464,1222 0.916,1223 0.859,1224 1.181,1225 1.212,1226 0.169,1227 1.188,1228 0.886,1229 0.821,1230 1.118,1231 1.074,1232 0.072,1233 1.107,1234 0.832,1235 0.787,1236 1.035,1237 1.062,1238 0.039,1239 1.047,1240 4.078,1242 5.442,1243 2.398,1244 6.984,1245 4.727,1246 8.603,1247 6.804,1248 10.261,1252 27.536,1254 10.606,1257 2.681,1267 27.334,1268 82.243,1269 149.218,1270 170.479,1271 184.131,1272 184.131,1273 184.131,1274 82.645,1275 7.191,1276 145.99,1277 154.37,1278 17,1279 12.555,1280 4.392,1281 3.644,1282 47.186,1283 110,1284 95,1285 0.214,1286 172.411,1287 297.54,1288 412.442,1289 12325,1290 5.1,1291 19.767,1292 0.732,1293 0.528,1294 18.277,1295 14.243,1296 12.664,1297 0.437,1298 0.304,1299 7.236,1300 11.164,1301 7.038,1302 5.806,1303 12.737,1304 8.824,1305 12.62,1306 0.293,1307 0.16,1308 12.942,1309 6.863,1310 9.695,1311 0.18,1312 0.081,1313 9.605,1314 4.369,1315 8.104,1316 0.119,1317 0.04,1318 7.601,1319 2.707,1320 5.499,1321 0.072,1322 0.021,1323 5.571,1324 1.628,1325 0.338,1326 90.536,1327 0.234,1328 26.005,1329 0.578,1330 144,1331 652.182,1332 202.686,1333 596.361,1334 775.71,1335 542,1336 169,1337 532.417,1338 233.021,1339 556.741,1340 810.21,1341 519,1342 5}
{0 CHEMBL1929238,1 1.747,2 13.083,3 4.215,4 17.768,5 145.678,6 8.038,7 0.289,8 4.306,9 4.432,10 3.955,11 3.84,12 5.368,13 3.787,14 4.878,15 5.079,16 4.388,17 4.26,18 5.91,19 4.181,20 5.157,21 5.342,22 4.612,23 4.5,24 6.242,25 4.383,26 5.366,27 5.607,28 4.497,29 4.495,30 6.402,31 4.349,32 5.216,33 5.454,34 4.408,35 4.347,36 6.321,37 4.252,38 5.117,39 5.31,40 4.47,41 4.368,42 6.411,43 4.278,44 5.258,45 5.476,46 4.478,47 4.446,48 6.359,49 4.327,50 5.245,51 5.465,52 4.45,53 4.444,54 6.325,55 4.315,56 0.059,57 1.013,58 14.18,59 6.381,60 9.28,61 8.399,62 0.519,63 1.615,64 31.551,65 10.671,66 36.135,67 14.564,68 0.545,69 2.022,70 48.31,71 15.67,72 57.618,73 19.791,74 0.93,75 2.186,76 70.352,77 19.818,78 109.104,79 25.137,80 0.875,81 1.915,82 51.753,83 14.837,84 102.195,85 19.716,86 0.895,87 1.922,88 44.427,89 13.781,90 125.689,91 17.56,92 0.875,93 2.059,94 57.972,95 16.549,96 116.708,97 20.308,98 0.856,99 1.988,100 52.55,101 16.046,102 108.245,103 20.557,104 107,105 55,106 0.277,107 0.56,108 0.732,109 0.802,110 0.823,111 0.823,112 3.616,113 1.051,114 -4.11,115 -4.05,116 -3.84,118 36.2,119 3,120 1,122 1,123 2,124 5,138 4,139 1,140 3,148 1,149 1,151 2,152 1,163 6,166 2,167 5,170 2,171 1,172 3,173 9,176 2,177 2,182 3,184 11,187 1,188 6,191 2,193 6,195 6,199 2,200 7,205 6,208 1,212 4,213 11,216 2,218 4,221 3,225 5,228 1,230 3,233 6,236 1,237 6,240 1,242 1,245 10,248 1,249 9,252 1,257 7,260 2752,261 22.902,262 22.902,263 22.902,264 22.902,265 22.902,266 21.138,267 34.116,268 13.125,269 23.659,270 18.675,271 18.675,272 18.675,273 18.675,274 18.675,275 15.816,276 44.007,277 6.217,278 20.017,279 4.361,280 2.572,281 1.489,282 1.048,283 0.91,284 0.91,285 4.287,286 2,289 1,290 971,291 4.848,293 114.604,294 134.951,295 142.79,301 1.991,302 45.523,305 0.75,306 0.83,307 0.83,308 0.9,309 1,310 0.83,311 1,312 0.88,313 78.167,314 471,315 4.583,316 3.767,317 7.14,318 4.336,319 3.37,320 4.174,321 1.94,322 11.845,323 3.263,324 4.328,325 3.696,326 6.599,327 4.004,328 3.031,329 3.985,330 1.656,331 10.374,332 2.945,333 4.198,334 3.577,335 6.347,336 3.868,337 2.961,338 3.386,339 1.2,340 9.465,341 2.677,342 3.958,343 3.522,344 6.031,345 3.748,346 2.79,347 3.117,348 0.8,349 8.593,350 2.645,351 3.728,352 3.357,353 5.749,354 3.416,355 2.488,356 2.926,357 0.555,358 7.765,359 2.284,360 3.51,361 2.647,362 5.218,363 3.164,364 2.229,365 2.698,366 0.293,367 6.378,368 2.06,369 3.21,370 2.605,371 4.831,372 3.094,373 2.173,374 2.374,375 0.247,376 5.205,377 1.997,378 3.177,379 2.394,380 4.663,381 2.733,382 1.809,383 2.213,385 5.15,386 1.597,387 2.866,388 2.317,389 4.58,390 2.564,391 1.583,392 2.028,394 4.455,395 1.54,396 2.781,397 2.169,398 4.37,399 2.426,400 1.496,401 1.8,403 3.967,404 1.362,405 2.707,406 1.825,407 4.218,408 2.359,409 1.414,410 1.694,411 3.852,412 1.283,413 2.658,414 1.492,415 3.866,416 2.243,417 1.301,418 1.682,419 3.179,420 1.203,421 2.204,422 1.191,423 3.61,424 1.745,425 0.784,426 0.968,427 1.91,428 0.747,429 1.825,430 1.174,431 3.14,432 1.635,433 0.656,434 0.768,435 1.599,436 0.624,437 1.54,438 1.168,439 3.038,440 1.126,441 0.361,442 0.403,443 0.847,444 0.225,445 17.762,446 0.493,447 1.31,448 0.036,449 39,450 1.083,451 15.5,452 0.431,453 23.5,454 0.653,455 44.047,456 1.224,457 41.038,458 0.595,459 33.657,460 0.935,461 7.355,462 0.204,463 9.507,464 0.264,465 0.277,466 0.028,467 0.321,471 0.684,472 1.553,473 0.652,474 1.038,475 0.544,476 1.014,477 0.672,478 0.93,479 0.644,480 0.704,481 0.48,482 0.739,483 0.938,484 1.215,485 0.916,486 1.113,487 0.898,488 1.122,489 0.977,490 1.124,491 1.029,492 1.199,493 1.175,494 0.994,495 1.117,496 0.981,497 0.762,498 0.827,499 1.253,500 0.827,501 0.926,502 1.119,503 0.914,504 1.098,505 0.865,506 1.04,507 1.435,508 0.995,509 0.927,510 0.942,511 1.628,512 0.923,513 1.25,514 0.977,515 0.808,516 0.876,517 1.446,518 1.002,519 10,520 0.33,521 5.333,522 2.938,523 2.608,524 1.678,525 1.098,526 0.76,527 0.631,528 0.667,529 17684,530 53119,531 1.925,532 47.8,533 9,534 20,537 2,538 2,542 1.779,543 1.735,544 3.628,545 0.231,550 120.562,551 1.747,552 3.536,553 4.619,554 5.061,555 5.198,556 5.198,557 3.093,558 4.927,559 5.137,560 3.851,561 2425.87,562 9.06,563 38885.2,568 421.488,569 1.716,570 5.05,571 0.263,572 0.007,573 0.097,574 0.05,575 0.048,576 0.031,577 0.02,578 0.014,579 0.013,580 0.013,581 0.556,582 0.33,583 0.88,584 1.176,585 196.258,586 -0.041,587 -0.262,588 0.032,589 -0.046,590 -0.039,591 -0.022,592 0.118,593 0.248,594 0.152,595 0.25,596 0.107,597 0.22,598 -0.031,599 -0.079,600 0.011,601 -0.078,602 -0.04,603 -0.136,604 0.04,605 -0.142,606 0.005,607 -0.104,608 -0.036,609 0.008,610 0.006,611 0.005,612 0.079,613 0.08,614 -0.012,615 0.113,616 0.158,617 0.029,618 -0.048,619 -0.093,620 0.271,621 -0.101,622 -0.225,623 0.053,624 -0.026,625 0.082,626 -0.182,627 0.025,628 -0.145,629 0.049,630 -0.002,631 0.059,632 -0.159,633 -0.055,634 2.198,635 6.616,636 0.5,637 43.327,638 1.007,639 1.133,640 2.877,641 8.275,642 0.669,643 3.664,644 4.025,645 4.22,646 4.407,647 4.615,648 4.779,649 4.771,650 4.844,651 4.942,652 5.088,653 7.815,654 0.623,655 554.6,656 3.664,657 5.231,658 6.066,659 6.95,660 7.809,661 8.695,662 9.565,663 10.453,664 11.329,665 12.219,666 7.2,669 1,673 4,681 4,685 1,686 6,688 11,695 1,704 2,705 69,706 14,707 1,708 38,710 71,711 25,712 10,713 3,714 3,715 1,717 3,718 3,719 2,720 1,721 3,722 1,724 1,727 1,729 13,730 12,733 3,737 3,740 3,747 33,748 8,749 2,750 11,751 3,755 5,760 1,761 3,778 1,779 1,780 1,791 1,800 1,803 3,805 1,807 5,808 2,811 36,817 6,818 2,822 3,823 1,828 1,832 2,833 4.3,836 3,841 20.75,842 13.886,843 7.75,844 4.023,847 2.069,848 1.269,849 0.935,850 9.94,851 9.773,852 3.861,853 4.404,854 4.849,855 5.305,856 5.674,857 5.919,858 5.941,859 6.089,860 6.314,861 6.642,862 0.889,863 59,864 13.44,865 5.697,866 7.87,867 25.374,868 20.542,869 2.37,870 85.306,874 364.904,875 154.431,876 45.394,877 78.297,878 75.435,880 31.278,881 123.153,882 518.636,883 45.394,884 43.268,885 55.333,886 37.905,887 84.844,888 16.997,889 5.634,890 396.182,891 78.297,892 364.904,893 168.547,894 75.435,895 109.575,897 364.904,898 75.435,900 85.863,901 82.685,902 78.297,903 31.278,904 364.904,905 120.829,906 232.728,909 364.904,910 73.257,911 90.546,912 36.022,913 153.732,914 364.904,915 120.829,916 232.728,918 0.598,919 0.33,920 0.157,921 0.089,922 24,923 14,924 0.099,925 7,927 1,928 4.371,929 336.313,931 18,932 179.362,933 1,936 29.017,937 12.332,938 7.733,940 120.829,941 6.799,945 1.361,946 2.741,948 36.022,949 718.461,950 46.5,954 39.032,957 -0.694,960 69.469,961 78.156,962 0.286,963 0.579,964 0.756,965 0.828,966 0.851,967 0.851,968 5.146,969 1.809,970 6.111,971 5.205,972 4.71,973 5.091,974 2.793,975 6.956,976 4.58,977 6.365,978 1.583,979 7.712,980 5.15,981 4.575,982 5.075,983 2.125,984 8.085,985 4.396,986 7.689,987 1.496,988 9.418,989 4.455,990 6.389,991 7.193,992 3.515,993 11.095,994 6.161,995 9.043,996 1.414,997 11.186,998 3.967,999 7.004,1000 7.939,1001 3.506,1002 13.002,1003 6.738,1004 10.428,1005 1.301,1006 12.992,1007 3.852,1008 8.379,1009 9.624,1010 4.52,1011 15.608,1012 8.074,1013 11.833,1014 0.784,1015 14.826,1016 3.179,1017 9.306,1018 10.709,1019 4.826,1020 17.819,1021 8.97,1022 13.255,1023 0.656,1024 16.68,1025 1.91,1026 10.535,1027 12.234,1028 5.658,1029 20.302,1030 10.165,1031 3.37,1032 0.361,1033 18.549,1034 1.599,1035 11.598,1036 13.481,1037 6.127,1038 22.642,1039 11.199,1040 3.031,1041 11.845,1042 20.432,1043 0.847,1044 12.78,1045 14.94,1046 6.869,1047 25.09,1048 12.353,1049 2.961,1050 10.374,1051 22.324,1052 4.174,1053 13.903,1054 16.266,1055 7.424,1056 27.488,1057 13.449,1058 2.79,1059 9.465,1060 24.224,1061 3.985,1062 15.075,1063 17.698,1064 8.121,1065 29.93,1066 14.594,1067 2.488,1068 8.593,1069 26.132,1070 3.386,1071 16.228,1072 19.064,1073 8.722,1074 32.356,1075 15.721,1076 2.229,1077 7.765,1078 28.045,1079 3.117,1080 17.402,1081 20.485,1082 9.397,1083 34.802,1084 16.869,1085 2.173,1086 6.378,1087 29.964,1088 2.926,1089 18.572,1090 21.873,1091 10.024,1092 37.244,1093 18.012,1094 17665,1095 30974,1096 23.581,1097 46.176,1098 58.151,1099 61.332,1100 59.962,1101 57.263,1102 57.101,1103 68.675,1104 13.384,1105 169.647,1106 53.113,1107 5.541,1108 5.767,1109 6.677,1110 5.478,1111 5.37,1112 7.174,1113 3.348,1114 19.122,1115 5.263,1116 25.793,1117 1.53,1118 1.614,1119 1.578,1120 1.507,1121 1.503,1122 1.807,1123 0.352,1124 4.464,1125 1.398,1126 4.013,1127 4.036,1128 4.275,1129 3.997,1130 7.434,1131 3.943,1132 3.902,1133 3.922,1134 4.117,1135 3.856,1136 7.427,1137 3.844,1138 3.839,1139 3.89,1140 3.776,1141 3.654,1142 7.425,1143 3.667,1144 3.649,1145 3.729,1146 3.522,1147 3.475,1148 5.042,1149 3.469,1150 3.576,1151 3.636,1152 3.494,1153 3.392,1154 4.636,1155 3.39,1156 3.401,1157 3.444,1158 3.423,1159 3.121,1160 4.493,1161 3.166,1162 3.292,1163 3.376,1164 3.346,1165 3.102,1166 4.353,1167 3.096,1168 3.266,1169 3.322,1170 3.297,1171 3.04,1172 4.301,1173 3.048,1174 0.121,1175 0.099,1176 0.188,1177 0.114,1178 0.089,1179 4.583,1180 0.11,1181 3.767,1182 0.051,1183 7.14,1184 0.312,1185 4.336,1186 0.086,1187 3.37,1188 4.174,1189 1.94,1190 11.845,1191 3.263,1192 1.875,1193 1.858,1194 1.984,1195 1.967,1196 1.227,1197 1.967,1198 1.791,1199 1.754,1200 1.934,1201 1.95,1202 1.205,1203 1.949,1204 1.706,1205 1.647,1206 1.926,1207 1.919,1208 1.152,1209 1.941,1210 1.684,1211 1.637,1212 1.86,1213 1.876,1214 1.056,1215 1.881,1216 1.514,1217 1.457,1218 1.766,1219 1.767,1220 0.984,1221 1.77,1222 1.467,1223 1.401,1224 1.589,1225 1.682,1226 0.748,1227 1.662,1228 1.244,1229 1.204,1230 1.51,1231 1.473,1232 0.697,1233 1.462,1234 1.132,1235 1.036,1236 1.417,1237 1.374,1238 0.469,1239 1.42,1240 4.344,1242 5.694,1243 2.398,1244 7.203,1245 4.844,1246 8.785,1247 7.034,1248 10.409,1250 10.084,1251 12.251,1256 2.901,1257 5.518,1261 5.53,1262 -0.218,1267 42.995,1268 120.562,1269 243.987,1270 318.72,1271 349.184,1272 358.694,1273 358.694,1274 116.769,1275 7.704,1276 84.99,1277 113.23,1278 18,1279 12.751,1280 3.907,1281 3.248,1282 73.444,1283 162,1284 186,1285 0.212,1286 278.737,1287 491.36,1288 671.877,1289 24100,1290 2.9,1291 26.621,1292 0.739,1293 0.656,1294 27.974,1295 23.611,1296 16.862,1297 0.444,1298 0.35,1299 11.705,1300 15.233,1301 11.065,1302 9.242,1303 17.848,1304 13.319,1305 16.545,1306 0.301,1307 0.215,1308 17.875,1309 11.848,1310 12.499,1311 0.187,1312 0.121,1313 14.428,1314 8.116,1315 9.356,1316 0.116,1317 0.063,1318 10.766,1319 5.117,1320 7.366,1321 0.074,1322 0.035,1323 8.532,1324 3.524,1325 0.333,1326 116.086,1327 0.206,1328 32.878,1329 0.583,1330 186,1331 564.075,1332 260.379,1333 622.013,1334 807.8,1335 574,1336 215,1337 512.927,1338 286.92,1339 557.899,1340 813.78,1341 518,1342 4.523}
{0 CHEMBL1945559,1 1.735,2 7.583,3 2.232,4 4.983,5 93.426,6 9.082,7 0.37,8 3.818,9 3.929,10 3.554,11 3.425,12 4.927,13 3.403,14 4.409,15 4.569,16 4.029,17 3.912,18 5.436,19 3.869,20 4.754,21 4.935,22 4.341,23 4.176,24 5.826,25 4.105,26 4.897,27 5.099,28 4.295,29 4.226,30 6.009,31 4.142,32 4.866,33 5.072,34 4.135,35 4.093,36 6.124,37 4.007,38 4.665,39 4.867,40 4.017,41 3.866,42 6.065,43 3.774,44 4.362,45 4.58,46 3.716,47 3.586,48 5.594,49 3.437,50 4.163,51 4.443,52 3.24,53 3.273,54 5.079,55 3.026,56 0.067,57 0.605,58 5.808,59 3.289,60 11.268,61 4.068,62 0.226,63 1.037,64 13.966,65 6.208,66 25.645,67 7.915,68 0.469,69 1.374,70 27.887,71 9.345,72 51.633,73 11.814,74 0.424,75 1.528,76 30.068,77 11.335,78 53.595,79 14.64,80 0.603,81 1.405,82 32.687,83 10.539,84 102.237,85 12.629,86 0.665,87 1.115,88 28.921,89 8.478,90 114.897,91 10.178,92 0.459,93 0.8,94 21.82,95 6.514,96 70.776,97 8.138,98 0.306,99 0.562,100 25.137,101 6.621,102 41.969,103 8.857,104 27,105 42,106 0.306,107 0.687,108 0.811,109 0.829,110 0.829,111 0.829,112 3.232,113 0.961,114 -3.35,115 -3.33,116 -3.19,118 42.5,120 2,121 1,123 1,124 2,128 1,138 2,139 2,140 2,148 2,151 2,163 4,167 3,170 1,172 5,173 7,176 1,177 5,180 1,182 1,184 8,188 9,191 1,192 1,193 2,195 6,199 1,200 4,205 2,208 4,212 1,213 3,216 2,218 3,221 3,225 2,228 1,230 2,233 2,237 1,242 1,245 2,254 1,260 674,261 16.121,262 16.121,263 16.121,264 16.121,265 16.121,266 14.595,267 24.352,268 8.96,269 16.53,270 13.173,271 13.173,272 13.173,273 13.173,274 13.173,275 10.737,276 39.491,277 4.034,278 13.967,279 3.587,280 1.425,281 0.719,282 0.619,283 0.619,284 0.619,285 3.921,286 2,287 1,288 1,289 1,290 396,291 2.915,293 32.36,294 144.977,297 130.512,301 1.083,302 31.109,304 1,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 51.667,314 182,315 4.91,316 4.256,317 7.772,318 4.627,319 3.648,320 4.839,321 2.517,322 14.63,323 3.57,324 4.492,325 3.765,326 7.161,327 4.229,328 3.275,329 3.779,330 1.058,331 12.444,332 3.128,333 4.03,334 3.468,335 6.355,336 3.624,337 2.7,338 3.365,339 0.4,340 9.365,341 2.496,342 3.707,343 3.299,344 5.947,345 3.309,346 2.333,347 3.039,349 7.968,350 2.221,351 3.449,352 2.975,353 5.467,354 2.96,355 2.034,356 2.672,358 6.411,359 1.817,360 3.357,361 2.406,362 5.058,363 2.697,364 1.731,365 2.253,367 5.128,368 1.647,369 2.889,370 2.057,371 4.469,372 2.503,373 1.57,374 1.819,376 3.769,377 1.448,378 2.692,379 1.96,380 4.09,381 2.211,382 1.297,383 1.56,385 3.185,386 1.146,387 2.553,388 1.83,389 3.732,390 1.984,391 1,392 1.447,394 2.278,395 0.983,396 2,397 1.304,398 3.657,399 1.91,400 0.951,401 1,403 2.23,404 0.891,405 1.7,406 1.077,407 3.37,408 1.04,409 0.219,410 0.262,411 0.501,412 0.139,413 1.46,414 0.821,415 2.936,416 0.896,417 0.038,418 0.052,419 0.068,420 0.033,421 1,422 0.528,423 2.803,424 0.73,425 -0.246,426 -0.316,427 -0.595,428 -0.222,429 0.91,430 0.099,431 2.757,432 0.523,433 -0.394,434 -0.468,435 -0.963,436 -0.347,437 0.646,438 -0.038,439 2.604,440 0.295,441 -0.643,442 -0.757,443 -1.828,444 -0.551,445 11.862,446 0.494,447 0.759,448 0.032,449 28.75,450 1.198,451 12.5,452 0.521,453 16.25,454 0.677,455 23.828,456 0.993,457 25.338,458 0.633,459 21.001,460 0.875,461 5.242,462 0.218,463 6.257,464 0.261,465 0.224,466 0.042,467 0.371,471 0.681,472 1.272,473 0.529,474 0.835,475 0.469,476 0.804,477 0.691,478 1.057,479 0.564,480 0.733,481 0.449,482 0.756,483 0.723,484 0.959,485 0.659,486 0.828,487 0.677,488 0.867,489 0.752,490 1.08,491 0.714,492 0.992,493 0.797,494 0.977,495 1.394,496 1.038,497 0.954,498 0.959,499 1.79,500 1.007,501 1.259,502 1.049,503 1.084,504 1.067,505 1.592,506 1.089,507 0.972,508 1.017,509 1.158,510 1.167,511 1.155,512 1.238,513 0.827,514 0.936,515 1.352,516 1.181,517 0.441,518 1.145,519 5,520 0.012,521 3.778,522 3.486,523 2.738,524 1.556,525 0.71,526 0.309,527 0.123,528 0.046,529 5069,530 16609,531 2.074,532 40,534 9,537 2,538 1,540 4,542 1.681,543 1.882,544 2.877,545 0.337,546 1,547 1,550 69.39,551 1.735,552 3.896,553 4.603,554 4.703,555 4.703,556 4.703,557 2.37,558 4.137,559 4.558,560 2.961,561 817.118,562 7.928,563 8855.32,564 1,565 1,567 1,568 212.877,569 1.724,570 4.481,571 0.185,572 0.012,573 0.09,574 0.07,575 0.055,576 0.038,577 0.022,578 0.016,579 0.012,580 0.011,581 0.512,582 0.5,583 1,584 0.854,585 108.356,586 -0.074,587 -0.095,588 0.006,589 0.016,590 0.024,591 0.038,592 -0.006,593 0.06,594 0.069,595 0.148,596 0.048,597 0.136,598 0.08,599 0.091,600 0.123,601 0.098,602 0.017,603 0.066,604 0.053,605 -0.087,606 0.058,607 -0.05,608 0.028,609 -0.007,610 -0.235,611 -0.064,612 -0.097,613 -0.018,614 -0.249,615 -0.065,616 -0.002,617 -0.074,618 -0.093,619 -0.115,620 0.012,621 -0.154,622 0.059,623 -0.057,624 -0.065,625 -0.179,626 -0.015,627 -0.256,628 0.065,629 -0.16,630 0.025,631 -0.054,632 0.119,633 0.01,634 1.815,635 5.869,636 0.75,637 15.181,638 1.014,639 1.125,640 2.119,641 4.49,642 0.713,643 3.332,644 3.761,645 4.174,646 4.564,647 4.875,648 5.075,649 5.247,650 5.394,651 5.416,652 5.361,653 4.511,654 0.679,655 363.27,656 3.332,657 4.934,658 5.861,659 6.819,660 7.769,661 8.735,662 9.692,663 10.662,664 11.622,665 12.593,666 10,668 1,673 1,674 1,675 1,680 2,681 2,686 4,687 1,688 10,694 1,704 2,705 40,706 12,707 1,708 27,710 43,711 17,712 8,713 4,714 2,715 1,717 4,718 7,719 2,724 2,725 2,727 2,728 1,729 9,730 7,731 2,733 1,737 1,740 1,743 1,744 1,747 16,748 4,749 2,750 7,751 2,755 4,760 0.25,761 1,775 1,778 1,779 3,782 2,788 1,799 1,803 1,807 1,808 2,811 24,817 4,818 2,821 1,823 1,825 1,829 1,831 1,832 2,833 2.5,836 1,841 12.75,842 7.602,843 5.208,844 2.491,847 2.325,848 1.305,849 0.994,850 3.719,851 9.944,852 3.584,853 4.223,854 4.906,855 5.606,856 6.186,857 6.661,858 7.07,859 7.454,860 7.617,861 7.659,862 1,863 50,864 8.936,865 4.077,866 7.874,867 16.947,868 14.981,869 2.374,870 56.972,874 164.795,875 75.596,876 68.98,877 78.297,878 25.145,881 75.596,882 268.238,883 68.98,884 8.396,885 27.291,886 36.963,887 46.451,888 45.718,889 4.901,890 164.795,891 78.297,892 164.795,893 144.576,894 25.145,895 78.297,897 117.711,898 72.229,900 78.26,901 66.316,902 78.297,904 164.795,905 94.125,906 153.894,909 164.795,910 31.646,911 29.248,912 52.623,913 134.502,914 164.795,915 94.125,916 153.894,918 0.6,919 0.391,920 0.233,921 0.132,922 24,923 11,926 2,927 1.278,928 3.291,929 225.604,930 0.222,931 19,932 106.039,936 16.075,937 5.553,938 2.119,939 1.539,940 92.226,941 3.586,946 2.131,947 1.756,948 36.022,949 412.814,950 35,954 12.869,957 -0.149,960 40.567,961 44.997,962 0.326,963 0.732,964 0.865,965 0.884,966 0.884,967 0.884,968 4.909,969 1.297,970 5.927,971 3.769,972 4.443,973 4.909,974 2.787,975 6.929,976 4.339,977 6.175,978 1,979 7.612,980 3.185,981 4.369,982 5.017,984 8.366,985 4.214,986 7.554,987 0.951,988 9.41,989 2.278,990 6.256,991 7.23,992 4.429,993 11.535,994 6.092,995 8.97,996 0.219,997 11.274,998 2.23,999 7.004,1000 8.173,1002 13.774,1003 6.804,1004 10.421,1005 0.038,1006 13.181,1007 0.501,1008 8.442,1009 9.936,1010 6.239,1011 16.556,1012 8.231,1013 11.897,1014 -0.246,1015 15.117,1016 0.068,1017 9.515,1018 11.24,1020 19.07,1021 9.279,1022 13.392,1023 -0.394,1024 17.074,1025 -0.595,1026 10.822,1027 12.862,1028 8.078,1029 21.755,1030 10.571,1031 3.648,1032 -0.643,1033 19.047,1034 -0.963,1035 12.018,1036 14.32,1038 24.365,1039 11.745,1040 3.275,1041 14.63,1042 21.032,1043 -1.828,1044 13.291,1045 15.9,1046 9.923,1047 27.029,1048 13.001,1049 2.7,1050 12.444,1051 23.027,1052 4.839,1053 14.533,1054 17.423,1056 29.674,1057 14.224,1058 2.333,1059 9.365,1060 25.029,1061 3.779,1062 15.801,1063 18.994,1064 11.769,1065 32.337,1066 15.474,1067 2.034,1068 7.968,1069 27.038,1070 3.365,1071 17.062,1072 20.546,1074 34.997,1075 16.717,1076 1.731,1077 6.411,1078 29.052,1079 3.039,1080 18.334,1081 22.116,1082 13.615,1083 37.664,1084 17.97,1085 1.57,1086 5.128,1087 31.07,1088 2.672,1089 19.605,1090 23.68,1092 40.332,1093 19.222,1094 4948,1095 9058,1096 17.512,1097 28.523,1098 43.369,1099 46.706,1100 45.713,1101 41.655,1102 41.591,1103 52.174,1104 7.95,1105 135.954,1106 39.039,1107 5.91,1108 6.256,1109 7.504,1110 5.672,1111 5.648,1112 7.839,1113 5.034,1114 23.002,1115 5.57,1116 12.99,1117 1.606,1118 1.73,1119 1.693,1120 1.543,1121 1.54,1122 1.932,1123 0.294,1124 5.035,1125 1.446,1126 4.19,1127 4.216,1128 4.255,1129 4.11,1130 7.429,1131 4.118,1132 3.861,1133 3.914,1134 3.89,1135 3.741,1136 6.817,1137 3.74,1138 3.552,1139 3.591,1140 3.641,1141 3.423,1142 5.08,1143 3.424,1144 3.367,1145 3.441,1146 3.403,1147 3.171,1148 4.605,1149 3.189,1150 3.195,1151 3.248,1152 3.276,1153 2.941,1154 4.473,1155 2.959,1156 3.111,1157 3.206,1158 3.231,1159 2.916,1160 4.375,1161 2.91,1162 2.986,1163 3.032,1164 3.01,1165 2.888,1166 4.026,1167 2.877,1168 2.841,1169 2.901,1170 2.866,1171 2.667,1172 3.932,1173 2.634,1174 0.182,1175 0.158,1176 0.288,1177 0.171,1178 0.135,1179 4.91,1180 0.179,1181 4.256,1182 0.093,1183 7.772,1184 0.542,1185 4.627,1186 0.132,1187 3.648,1188 4.839,1189 2.517,1190 14.63,1191 3.57,1192 1.967,1193 1.948,1194 2.075,1195 2.082,1196 1.447,1197 2.082,1198 1.878,1199 1.842,1200 1.95,1201 1.994,1202 1.165,1203 1.991,1204 1.611,1205 1.557,1206 1.774,1207 1.814,1208 0.968,1209 1.808,1210 1.308,1211 1.243,1212 1.541,1213 1.529,1214 0.825,1215 1.54,1216 1.153,1217 1.064,1218 1.513,1219 1.376,1220 0.672,1221 1.429,1222 1.063,1223 1.012,1224 1.202,1225 1.359,1226 0.379,1227 1.313,1228 0.944,1229 0.908,1230 1.16,1231 1.134,1232 0.203,1233 1.154,1234 0.784,1235 0.734,1236 0.968,1237 0.976,1238 0.053,1239 0.983,1240 4.007,1242 5.407,1243 2.398,1244 7.034,1245 4.949,1246 8.769,1247 7.261,1248 10.559,1250 1.789,1251 12.542,1256 3.026,1257 6.421,1260 -0.409,1262 -0.523,1265 9.944,1266 2.449,1267 27.143,1268 69.39,1269 155.858,1270 184.122,1271 188.122,1272 188.122,1273 188.122,1274 50.233,1275 7.619,1276 69.85,1277 69.85,1278 23,1279 13.071,1280 3.7,1281 3.17,1282 33.417,1283 65,1284 64,1285 0.269,1286 171.614,1287 296.15,1288 410.498,1289 17691,1290 5,1291 17.06,1292 0.711,1293 0.61,1294 18.06,1295 14.631,1296 11.499,1297 0.426,1298 0.32,1299 7.859,1300 10.607,1301 7.612,1302 6.199,1303 12.076,1304 8.647,1305 10.788,1306 0.257,1307 0.173,1308 11.492,1309 7.286,1310 10.033,1311 0.157,1312 0.096,1313 11.001,1314 6.123,1315 9.227,1316 0.097,1317 0.049,1318 9.781,1319 4.625,1320 7.692,1321 0.059,1322 0.026,1323 8.172,1324 3.382,1325 0.39,1326 77.778,1327 0.239,1328 22.14,1329 0.851,1330 138,1331 384.098,1332 178.136,1333 436.531,1334 576.98,1335 404,1336 175,1337 379.32,1338 214.576,1339 405.744,1340 608.93,1341 382,1342 5}
{0 CHEMBL1949788,1 1.6,2 11.32,3 2.622,4 6.876,5 98.513,6 8.041,7 0.462,8 3.888,9 3.985,10 3.487,11 3.428,12 5.088,13 3.409,14 4.367,15 4.507,16 3.808,17 3.776,18 5.548,19 3.732,20 4.616,21 4.79,22 3.888,23 3.895,24 5.871,25 3.824,26 4.645,27 4.848,28 3.696,29 3.823,30 5.79,31 3.734,32 4.547,33 4.759,34 3.673,35 3.771,36 5.726,37 3.681,38 4.528,39 4.727,40 3.716,41 3.756,42 5.796,43 3.676,44 4.491,45 4.668,46 3.679,47 3.742,48 5.655,49 3.673,50 4.537,51 4.737,52 3.627,53 3.696,54 5.692,55 3.608,56 0.1,57 0.569,58 8.499,59 4.263,60 17.499,61 5.05,62 0.289,63 0.87,64 16.032,65 6.813,66 37.577,67 8.242,68 0.491,69 1.054,70 24.275,71 8.851,72 71.755,73 11.032,74 0.549,75 1.071,76 26.032,77 8.664,78 72.686,79 10.885,80 0.381,81 1,82 21.36,83 8.315,84 63.183,85 10.944,86 0.521,87 0.955,88 21.977,89 8.171,90 74.958,91 10.593,92 0.319,93 0.931,94 20.181,95 7.78,96 43.248,97 9.631,98 0.403,99 0.949,100 21.911,101 7.874,102 53.958,103 9.826,104 34,105 34,106 0.278,107 0.634,108 0.795,109 0.871,110 0.89,111 0.89,112 3.266,113 0.934,114 -3.81,115 -3.77,116 -3.58,118 42.2,123 1,124 2,126 1,132 2,138 7,139 3,140 2,151 1,163 11,167 3,170 1,172 1,173 15,177 5,181 2,182 2,184 14,188 4,192 1,193 2,195 9,200 2,203 1,205 2,208 8,212 1,213 3,216 2,218 4,221 8,225 3,230 5,233 7,237 2,242 5,245 3,249 3,252 1,254 4,257 2,260 1049,261 16.74,262 16.74,263 16.74,264 16.74,265 16.74,266 15.042,267 11.925,268 9.923,269 17.143,270 12.653,271 12.653,272 12.653,273 12.653,274 12.653,275 9.977,276 10.572,277 4.555,278 13.278,279 3.892,280 1.843,281 0.915,282 0.478,283 0.372,284 0.372,285 3.929,286 1,287 1,288 1,289 1,290 574,291 3.808,294 183.871,301 1.798,302 29.809,304 1,305 1,306 1,307 1,308 1,309 0.5,310 1,311 1,312 0.93,313 54.833,314 283,315 4.344,316 3.564,317 6.244,318 3.956,319 2.968,320 4.001,321 1.058,322 9.386,323 2.935,324 4.037,325 3.035,326 5.894,327 3.617,328 2.635,329 3.645,330 0.86,331 8.122,332 2.586,333 3.889,334 2.934,335 5.41,336 3.53,337 2.561,338 3.251,340 7.143,341 2.474,342 3.475,343 2.641,344 4.989,345 3.239,346 2.296,347 2.787,349 5.888,350 2.149,351 3.324,352 2.377,353 4.89,354 3.002,355 2.099,356 2.341,358 5.697,359 1.812,360 2.985,361 2.033,362 4.42,363 2.559,364 1.6,365 2.134,367 4.299,368 1.521,369 2.846,370 1.716,371 4.144,372 2.421,373 1.44,374 1.885,376 3.683,377 1.399,378 2.5,379 1.33,380 3.414,381 2,382 1,383 1.5,385 2.275,386 1,387 2.382,388 1.049,389 3.246,390 1.729,391 0.763,392 1.143,394 1.723,395 0.724,396 1.79,397 1,398 3.037,399 1.572,400 0.638,401 0.714,403 1.221,404 0.585,405 1.691,406 0.943,407 2.792,408 1.366,409 0.462,410 0.532,411 0.759,412 0.409,413 1.18,414 0.811,415 2.422,416 0.944,417 0.077,418 0.081,419 0.114,420 0.066,421 1.165,422 0.329,423 2.298,424 0.774,425 -0.118,426 -0.143,427 -0.243,428 -0.088,429 0.876,430 -0.004,431 2.126,432 0.441,433 -0.489,434 -0.624,435 -0.977,436 -0.421,437 0.672,438 -0.281,439 2,440 0.211,441 -0.764,442 -0.977,443 -2.156,444 -0.703,445 11.948,446 0.478,447 0.558,448 0.022,449 30.5,450 1.22,451 15.5,452 0.62,453 15,454 0.6,455 19.087,456 0.763,457 27.652,458 0.614,459 24.091,460 0.964,461 6.531,462 0.261,463 5.498,464 0.22,465 0.185,467 0.293,471 0.866,472 1.125,473 0.68,474 0.946,475 0.849,476 0.899,477 0.975,478 1.023,479 0.791,480 0.903,481 0.838,482 0.928,483 0.94,484 1.07,485 0.98,486 1.022,487 0.916,488 1.022,489 1.183,490 0.924,491 1.032,492 0.92,493 1.242,494 1.001,495 0.683,496 1.04,497 0.661,498 0.953,499 0.768,500 0.966,501 0.682,502 0.947,503 0.75,504 0.934,505 0.81,506 0.94,507 1.051,508 1.146,509 0.891,510 1.085,511 0.954,512 1.076,513 1.173,514 1.112,515 0.901,516 1.01,517 1.111,518 1.067,519 5.5,520 0.128,521 3.111,522 0.938,523 1.236,524 0.896,525 0.387,526 0.373,527 0.328,528 0.177,529 6830,530 23918,531 1.95,532 44.4,534 17,537 3,542 1.681,543 1.807,544 3.471,545 0.966,546 1,547 1,550 71.984,551 1.6,552 3.649,553 4.577,554 5.014,555 5.12,556 5.12,557 2.953,558 4.404,559 4.61,560 3.615,561 1084.53,562 7.979,563 13660.4,565 1,567 1,568 247.133,569 1.469,570 4.56,571 0.212,572 0.009,573 0.092,574 0.027,575 0.043,576 0.031,577 0.013,578 0.013,579 0.013,580 0.009,581 0.46,582 0.33,583 1,584 1.685,585 122.405,586 -0.107,587 0.032,588 -0.013,589 0.054,590 -0.146,591 0.044,592 -0.091,593 0.07,594 -0.023,595 0.076,596 -0.076,597 0.017,598 0.005,599 -0.049,600 -0.062,601 -0.039,602 0.031,603 -0.057,604 -0.173,605 0.09,606 -0.152,607 0.021,608 -0.195,609 -0.051,610 0.076,611 -0.036,612 0.072,613 -0.002,614 0.093,615 0.022,616 0.195,617 0.045,618 0.064,619 0.031,620 0.17,621 0.042,622 -0.122,623 -0.136,624 -0.091,625 -0.12,626 -0.079,627 -0.113,628 -0.162,629 -0.119,630 -0.071,631 -0.07,632 -0.126,633 -0.115,634 2.313,635 5.145,636 0.48,637 25.238,638 1.013,639 1.121,640 2.581,641 6.662,642 0.673,643 3.296,644 3.555,645 3.738,646 3.85,647 4.078,648 4.078,649 4.078,650 4.078,651 4.174,652 4.205,653 6.59,654 0.644,655 361.85,656 3.296,657 4.796,658 5.602,659 6.435,660 7.262,661 8.1,662 8.936,663 9.777,664 10.618,665 11.462,666 2.2,673 1,681 7,686 5,688 12,694 1,703 1,704 1,705 45,706 14,707 2,708 26,710 46,711 19,712 12,713 5,714 7,715 3,717 2,718 2,719 1,721 1,727 1,729 15,730 4,733 2,737 1,738 2,740 1,743 1,744 1,747 20,748 5,749 3,750 6,751 1,755 1,760 1,761 4,762 1,763 1,779 2,795 2,801 2,803 2,807 1,808 1,811 25,816 2,817 2,818 1,819 1,821 1,832 1,833 8.9,834 2,836 1,838 1,841 13.833,842 7.96,843 5.806,844 2.376,847 2.856,848 1.43,849 0.891,850 7.312,851 9.489,852 3.555,853 4.078,854 4.6,855 5.07,856 5.628,857 5.82,858 6.094,859 6.36,860 6.777,861 7.121,862 0.875,863 35,864 9.214,865 3.791,866 8.038,867 17.072,868 13.251,869 2.538,870 63.444,873 1,874 200.109,875 121.28,876 18.011,877 39.149,878 121.512,881 121.28,882 360.769,883 18.011,884 10.883,885 20.116,886 170.653,887 29.85,888 29.301,890 200.109,891 39.149,892 200.109,893 139.291,894 121.512,895 39.149,897 200.109,898 36.145,899 85.367,900 20.116,901 100.222,902 58.101,904 200.109,905 139.522,906 160.429,909 200.109,910 25.111,911 96.169,912 18.011,913 160.66,914 200.109,915 139.522,916 160.429,918 0.567,919 0.326,920 0.15,921 0.086,922 13,923 7,924 0.152,925 7,927 1,928 3.694,929 186.256,931 12,932 112.096,936 19.314,937 9.465,938 5.779,940 139.522,941 12.42,946 3.442,948 103.377,949 500.06,950 34,954 12.145,955 3.743,957 -0.337,960 45.571,961 50.432,962 0.291,963 0.664,964 0.833,965 0.913,966 0.932,967 0.932,968 4.754,969 1,970 5.565,971 3.683,972 4.234,973 4.762,974 1.552,975 6.29,976 4.154,977 5.936,978 0.763,979 7.083,980 2.275,981 3.761,982 4.46,984 7.066,985 3.624,986 7.215,987 0.638,988 8.694,989 1.723,990 5.759,991 6.878,992 1.527,993 10.053,994 5.631,995 8.529,996 0.462,997 10.359,998 1.221,999 6.066,1000 7.362,1002 11.618,1003 5.898,1004 9.87,1005 0.077,1006 12.058,1007 0.759,1008 7.527,1009 9.261,1010 1.53,1011 14.124,1012 7.371,1013 11.232,1014 -0.118,1015 13.78,1016 0.114,1017 8.196,1018 10.124,1020 16.033,1021 8.015,1022 12.609,1023 -0.489,1024 15.518,1025 -0.243,1026 9.431,1027 11.784,1028 1.557,1029 18.363,1030 9.257,1031 2.968,1032 -0.764,1033 17.27,1034 -0.977,1035 10.286,1036 12.855,1038 20.434,1039 10.095,1040 2.635,1041 9.386,1042 19.032,1043 -2.156,1044 11.419,1045 14.388,1046 1.603,1047 22.696,1048 11.231,1049 2.561,1050 8.122,1051 20.803,1052 4.001,1053 12.372,1054 15.579,1056 24.846,1057 12.173,1058 2.296,1059 7.143,1060 22.581,1061 3.645,1062 13.462,1063 17.041,1064 1.663,1065 27.082,1066 13.262,1067 2.099,1068 5.888,1069 24.365,1070 3.251,1071 14.467,1072 18.306,1074 29.271,1075 14.258,1076 1.6,1077 5.697,1078 26.154,1079 2.787,1080 15.54,1081 19.728,1082 1.734,1083 31.5,1084 15.327,1085 1.44,1086 4.299,1087 27.948,1088 2.341,1089 16.575,1090 21.036,1092 33.709,1093 16.354,1094 6989,1095 13145,1096 16.701,1097 30.296,1098 37.758,1099 39.324,1100 39.422,1101 37.167,1102 37.078,1103 48.028,1104 3.837,1105 100.615,1106 35.32,1107 5.233,1108 5.564,1109 5.805,1110 4.956,1111 4.968,1112 7.001,1113 2.117,1114 15.735,1115 4.935,1116 14.688,1117 1.452,1118 1.512,1119 1.516,1120 1.43,1121 1.426,1122 1.847,1123 0.148,1124 3.87,1125 1.358,1126 3.999,1127 4.018,1128 4.014,1129 3.942,1130 7.429,1131 3.939,1132 3.872,1133 3.893,1134 3.902,1135 3.816,1136 6.498,1137 3.811,1138 3.675,1139 3.722,1140 3.568,1141 3.466,1142 6.403,1143 3.48,1144 3.394,1145 3.42,1146 3.439,1147 3.268,1148 4.957,1149 3.263,1150 3.292,1151 3.339,1152 3.272,1153 3.069,1154 4.843,1155 3.095,1156 3.147,1157 3.221,1158 3.009,1159 2.859,1160 4.441,1161 2.866,1162 2.879,1163 2.932,1164 2.94,1165 2.739,1166 4.327,1167 2.718,1168 2.854,1169 2.925,1170 2.687,1171 2.735,1172 4.037,1173 2.715,1174 0.167,1175 0.137,1176 0.24,1177 0.152,1178 0.114,1179 4.344,1180 0.154,1181 3.564,1182 0.041,1183 6.244,1184 0.361,1185 3.956,1186 0.113,1187 2.968,1188 4.001,1189 1.058,1190 9.386,1191 2.935,1192 1.963,1193 1.946,1194 2.05,1195 2.041,1196 1.167,1197 2.045,1198 1.862,1199 1.843,1200 1.953,1201 1.945,1202 1.103,1203 1.954,1204 1.608,1205 1.558,1206 1.828,1207 1.847,1208 1.047,1209 1.842,1210 1.347,1211 1.316,1212 1.574,1213 1.566,1214 0.582,1215 1.555,1216 1.23,1217 1.181,1218 1.508,1219 1.477,1220 0.572,1221 1.494,1222 1.087,1223 1.01,1224 1.38,1225 1.379,1226 0.489,1227 1.392,1228 0.886,1229 0.821,1230 1.181,1231 1.127,1232 0.218,1233 1.112,1234 0.839,1235 0.78,1236 1.12,1237 1.062,1238 0.186,1239 1.107,1240 3.97,1242 5.242,1244 6.703,1246 8.246,1248 9.833,1250 1.562,1251 5.873,1255 18.106,1256 -0.421,1257 2.566,1258 5.326,1260 -0.98,1267 28.976,1268 71.984,1269 164.198,1270 205.972,1271 225.624,1272 230.379,1273 230.379,1274 60.968,1275 6.633,1276 78.79,1277 78.79,1278 12,1279 12.025,1280 3.907,1281 3.17,1282 51.637,1283 95,1284 104,1285 0.258,1286 185.931,1287 330.99,1288 445.432,1289 6071,1290 2.2,1291 18.234,1292 0.729,1293 0.581,1294 18.734,1295 14.533,1296 12.028,1297 0.463,1298 0.311,1299 7.635,1300 11.282,1301 7.409,1302 6.161,1303 12.317,1304 8.098,1305 10.273,1306 0.302,1307 0.171,1308 10.681,1309 5.824,1310 8.402,1311 0.205,1312 0.092,1313 8.691,1314 3.778,1315 5.826,1316 0.127,1317 0.049,1318 5.992,1319 2.269,1320 4.807,1321 0.083,1322 0.027,1323 5.043,1324 1.565,1325 0.408,1326 78.777,1327 0.245,1328 24.628,1329 0.696,1330 120,1331 402.307,1332 145.876,1333 411.298,1334 530.47,1335 382,1336 135,1337 337.523,1338 154.729,1339 354.328,1340 509.05,1341 331,1342 4.301}
{0 CHEMBL1949789,1 1.6,2 11.32,3 2.622,4 6.876,5 98.513,6 8.041,7 0.462,8 3.888,9 3.985,10 3.487,11 3.428,12 5.088,13 3.409,14 4.367,15 4.507,16 3.808,17 3.776,18 5.548,19 3.732,20 4.616,21 4.79,22 3.888,23 3.895,24 5.871,25 3.824,26 4.645,27 4.848,28 3.696,29 3.823,30 5.79,31 3.734,32 4.547,33 4.759,34 3.673,35 3.771,36 5.726,37 3.681,38 4.528,39 4.727,40 3.716,41 3.756,42 5.796,43 3.676,44 4.491,45 4.668,46 3.679,47 3.742,48 5.655,49 3.673,50 4.537,51 4.737,52 3.627,53 3.696,54 5.692,55 3.608,56 0.1,57 0.569,58 8.499,59 4.263,60 17.499,61 5.05,62 0.289,63 0.87,64 16.032,65 6.813,66 37.577,67 8.242,68 0.491,69 1.054,70 24.275,71 8.851,72 71.755,73 11.032,74 0.549,75 1.071,76 26.032,77 8.664,78 72.686,79 10.885,80 0.381,81 1,82 21.36,83 8.315,84 63.183,85 10.944,86 0.521,87 0.955,88 21.977,89 8.171,90 74.958,91 10.593,92 0.319,93 0.931,94 20.181,95 7.78,96 43.248,97 9.631,98 0.403,99 0.949,100 21.911,101 7.874,102 53.958,103 9.826,104 34,105 34,106 0.278,107 0.634,108 0.795,109 0.871,110 0.89,111 0.89,112 3.266,113 0.934,114 -3.81,115 -3.77,116 -3.58,118 42.2,123 1,124 2,126 1,132 2,138 7,139 3,140 2,151 1,163 11,167 3,170 1,172 1,173 15,177 5,181 2,182 2,184 14,188 4,192 1,193 2,195 9,200 2,203 1,205 2,208 8,212 1,213 3,216 2,218 4,221 8,225 3,230 5,233 7,237 2,242 5,245 3,249 3,252 1,254 4,257 2,260 1049,261 16.74,262 16.74,263 16.74,264 16.74,265 16.74,266 15.042,267 11.925,268 9.923,269 17.143,270 12.653,271 12.653,272 12.653,273 12.653,274 12.653,275 9.977,276 10.572,277 4.555,278 13.278,279 3.892,280 1.843,281 0.915,282 0.478,283 0.372,284 0.372,285 3.929,286 1,287 1,288 1,289 1,290 574,291 3.808,294 183.871,301 1.798,302 29.809,304 1,305 1,306 1,307 1,308 1,309 0.5,310 1,311 1,312 0.93,313 54.833,314 283,315 4.344,316 3.564,317 6.244,318 3.956,319 2.968,320 4.001,321 1.058,322 9.386,323 2.935,324 4.037,325 3.035,326 5.894,327 3.617,328 2.635,329 3.645,330 0.86,331 8.122,332 2.586,333 3.889,334 2.934,335 5.41,336 3.53,337 2.561,338 3.251,340 7.143,341 2.474,342 3.475,343 2.641,344 4.989,345 3.239,346 2.296,347 2.787,349 5.888,350 2.149,351 3.324,352 2.377,353 4.89,354 3.002,355 2.099,356 2.341,358 5.697,359 1.812,360 2.985,361 2.033,362 4.42,363 2.559,364 1.6,365 2.134,367 4.299,368 1.521,369 2.846,370 1.716,371 4.144,372 2.421,373 1.44,374 1.885,376 3.683,377 1.399,378 2.5,379 1.33,380 3.414,381 2,382 1,383 1.5,385 2.275,386 1,387 2.382,388 1.049,389 3.246,390 1.729,391 0.763,392 1.143,394 1.723,395 0.724,396 1.79,397 1,398 3.037,399 1.572,400 0.638,401 0.714,403 1.221,404 0.585,405 1.691,406 0.943,407 2.792,408 1.366,409 0.462,410 0.532,411 0.759,412 0.409,413 1.18,414 0.811,415 2.422,416 0.944,417 0.077,418 0.081,419 0.114,420 0.066,421 1.165,422 0.329,423 2.298,424 0.774,425 -0.118,426 -0.143,427 -0.243,428 -0.088,429 0.876,430 -0.004,431 2.126,432 0.441,433 -0.489,434 -0.624,435 -0.977,436 -0.421,437 0.672,438 -0.281,439 2,440 0.211,441 -0.764,442 -0.977,443 -2.156,444 -0.703,445 11.948,446 0.478,447 0.558,448 0.022,449 30.5,450 1.22,451 15.5,452 0.62,453 15,454 0.6,455 19.087,456 0.763,457 27.652,458 0.614,459 24.091,460 0.964,461 6.531,462 0.261,463 5.498,464 0.22,465 0.185,467 0.293,471 0.866,472 1.125,473 0.68,474 0.946,475 0.849,476 0.899,477 0.975,478 1.023,479 0.791,480 0.903,481 0.838,482 0.928,483 0.94,484 1.07,485 0.98,486 1.022,487 0.916,488 1.022,489 1.183,490 0.924,491 1.032,492 0.92,493 1.242,494 1.001,495 0.683,496 1.04,497 0.661,498 0.953,499 0.768,500 0.966,501 0.682,502 0.947,503 0.75,504 0.934,505 0.81,506 0.94,507 1.051,508 1.146,509 0.891,510 1.085,511 0.954,512 1.076,513 1.173,514 1.112,515 0.901,516 1.01,517 1.111,518 1.067,519 5.5,520 0.128,521 3.111,522 0.938,523 1.236,524 0.896,525 0.387,526 0.373,527 0.328,528 0.177,529 6830,530 23918,531 1.95,532 44.4,534 17,537 3,542 1.681,543 1.807,544 3.471,545 0.966,546 1,547 1,550 71.984,551 1.6,552 3.649,553 4.577,554 5.014,555 5.12,556 5.12,557 2.953,558 4.404,559 4.61,560 3.615,561 1084.53,562 7.979,563 13660.4,565 1,567 1,568 247.133,569 1.469,570 4.56,571 0.212,572 0.009,573 0.092,574 0.027,575 0.043,576 0.031,577 0.013,578 0.013,579 0.013,580 0.009,581 0.46,582 0.33,583 1,584 1.685,585 122.405,586 -0.107,587 0.032,588 -0.013,589 0.054,590 -0.146,591 0.044,592 -0.091,593 0.07,594 -0.023,595 0.076,596 -0.076,597 0.017,598 0.005,599 -0.049,600 -0.062,601 -0.039,602 0.031,603 -0.057,604 -0.173,605 0.09,606 -0.152,607 0.021,608 -0.195,609 -0.051,610 0.076,611 -0.036,612 0.072,613 -0.002,614 0.093,615 0.022,616 0.195,617 0.045,618 0.064,619 0.031,620 0.17,621 0.042,622 -0.122,623 -0.136,624 -0.091,625 -0.12,626 -0.079,627 -0.113,628 -0.162,629 -0.119,630 -0.071,631 -0.07,632 -0.126,633 -0.115,634 2.313,635 5.145,636 0.48,637 25.238,638 1.013,639 1.121,640 2.581,641 6.662,642 0.673,643 3.296,644 3.555,645 3.738,646 3.85,647 4.078,648 4.078,649 4.078,650 4.078,651 4.174,652 4.205,653 6.59,654 0.644,655 361.85,656 3.296,657 4.796,658 5.602,659 6.435,660 7.262,661 8.1,662 8.936,663 9.777,664 10.618,665 11.462,666 2.2,673 1,681 7,686 5,688 12,694 1,703 1,704 1,705 45,706 14,707 2,708 26,710 46,711 19,712 12,713 5,714 7,715 3,717 2,718 2,719 1,721 1,727 1,729 15,730 4,733 2,737 1,738 2,740 1,743 1,744 1,747 20,748 5,749 3,750 6,751 1,755 1,760 1,761 4,762 1,763 1,779 2,795 2,801 2,803 2,807 1,808 1,811 25,816 2,817 2,818 1,819 1,821 1,832 1,833 8.9,834 2,836 1,838 1,841 13.833,842 7.96,843 5.806,844 2.376,847 2.856,848 1.43,849 0.891,850 7.312,851 9.489,852 3.555,853 4.078,854 4.6,855 5.07,856 5.628,857 5.82,858 6.094,859 6.36,860 6.777,861 7.121,862 0.875,863 35,864 9.214,865 3.791,866 8.038,867 17.072,868 13.251,869 2.538,870 63.444,873 1,874 200.109,875 121.28,876 18.011,877 39.149,878 121.512,881 121.28,882 360.769,883 18.011,884 10.883,885 20.116,886 170.653,887 29.85,888 29.301,890 200.109,891 39.149,892 200.109,893 139.291,894 121.512,895 39.149,897 200.109,898 36.145,899 85.367,900 20.116,901 100.222,902 58.101,904 200.109,905 139.522,906 160.429,909 200.109,910 25.111,911 96.169,912 18.011,913 160.66,914 200.109,915 139.522,916 160.429,918 0.567,919 0.326,920 0.15,921 0.086,922 13,923 7,924 0.152,925 7,927 1,928 3.694,929 186.256,931 12,932 112.096,936 19.314,937 9.465,938 5.779,940 139.522,941 12.42,946 3.442,948 103.377,949 500.06,950 34,954 12.145,955 3.743,957 -0.337,960 45.571,961 50.432,962 0.291,963 0.664,964 0.833,965 0.913,966 0.932,967 0.932,968 4.754,969 1,970 5.565,971 3.683,972 4.234,973 4.762,974 1.552,975 6.29,976 4.154,977 5.936,978 0.763,979 7.083,980 2.275,981 3.761,982 4.46,984 7.066,985 3.624,986 7.215,987 0.638,988 8.694,989 1.723,990 5.759,991 6.878,992 1.527,993 10.053,994 5.631,995 8.529,996 0.462,997 10.359,998 1.221,999 6.066,1000 7.362,1002 11.618,1003 5.898,1004 9.87,1005 0.077,1006 12.058,1007 0.759,1008 7.527,1009 9.261,1010 1.53,1011 14.124,1012 7.371,1013 11.232,1014 -0.118,1015 13.78,1016 0.114,1017 8.196,1018 10.124,1020 16.033,1021 8.015,1022 12.609,1023 -0.489,1024 15.518,1025 -0.243,1026 9.431,1027 11.784,1028 1.557,1029 18.363,1030 9.257,1031 2.968,1032 -0.764,1033 17.27,1034 -0.977,1035 10.286,1036 12.855,1038 20.434,1039 10.095,1040 2.635,1041 9.386,1042 19.032,1043 -2.156,1044 11.419,1045 14.388,1046 1.603,1047 22.696,1048 11.231,1049 2.561,1050 8.122,1051 20.803,1052 4.001,1053 12.372,1054 15.579,1056 24.846,1057 12.173,1058 2.296,1059 7.143,1060 22.581,1061 3.645,1062 13.462,1063 17.041,1064 1.663,1065 27.082,1066 13.262,1067 2.099,1068 5.888,1069 24.365,1070 3.251,1071 14.467,1072 18.306,1074 29.271,1075 14.258,1076 1.6,1077 5.697,1078 26.154,1079 2.787,1080 15.54,1081 19.728,1082 1.734,1083 31.5,1084 15.327,1085 1.44,1086 4.299,1087 27.948,1088 2.341,1089 16.575,1090 21.036,1092 33.709,1093 16.354,1094 6989,1095 13145,1096 16.701,1097 30.296,1098 37.758,1099 39.324,1100 39.422,1101 37.167,1102 37.078,1103 48.028,1104 3.837,1105 100.615,1106 35.32,1107 5.233,1108 5.564,1109 5.805,1110 4.956,1111 4.968,1112 7.001,1113 2.117,1114 15.735,1115 4.935,1116 14.688,1117 1.452,1118 1.512,1119 1.516,1120 1.43,1121 1.426,1122 1.847,1123 0.148,1124 3.87,1125 1.358,1126 3.999,1127 4.018,1128 4.014,1129 3.942,1130 7.429,1131 3.939,1132 3.872,1133 3.893,1134 3.902,1135 3.816,1136 6.498,1137 3.811,1138 3.675,1139 3.722,1140 3.568,1141 3.466,1142 6.403,1143 3.48,1144 3.394,1145 3.42,1146 3.439,1147 3.268,1148 4.957,1149 3.263,1150 3.292,1151 3.339,1152 3.272,1153 3.069,1154 4.843,1155 3.095,1156 3.147,1157 3.221,1158 3.009,1159 2.859,1160 4.441,1161 2.866,1162 2.879,1163 2.932,1164 2.94,1165 2.739,1166 4.327,1167 2.718,1168 2.854,1169 2.925,1170 2.687,1171 2.735,1172 4.037,1173 2.715,1174 0.167,1175 0.137,1176 0.24,1177 0.152,1178 0.114,1179 4.344,1180 0.154,1181 3.564,1182 0.041,1183 6.244,1184 0.361,1185 3.956,1186 0.113,1187 2.968,1188 4.001,1189 1.058,1190 9.386,1191 2.935,1192 1.963,1193 1.946,1194 2.05,1195 2.041,1196 1.167,1197 2.045,1198 1.862,1199 1.843,1200 1.953,1201 1.945,1202 1.103,1203 1.954,1204 1.608,1205 1.558,1206 1.828,1207 1.847,1208 1.047,1209 1.842,1210 1.347,1211 1.316,1212 1.574,1213 1.566,1214 0.582,1215 1.555,1216 1.23,1217 1.181,1218 1.508,1219 1.477,1220 0.572,1221 1.494,1222 1.087,1223 1.01,1224 1.38,1225 1.379,1226 0.489,1227 1.392,1228 0.886,1229 0.821,1230 1.181,1231 1.127,1232 0.218,1233 1.112,1234 0.839,1235 0.78,1236 1.12,1237 1.062,1238 0.186,1239 1.107,1240 3.97,1242 5.242,1244 6.703,1246 8.246,1248 9.833,1250 1.562,1251 5.873,1255 18.106,1256 -0.421,1257 2.566,1258 5.326,1260 -0.98,1267 28.976,1268 71.984,1269 164.198,1270 205.972,1271 225.624,1272 230.379,1273 230.379,1274 60.968,1275 6.633,1276 78.79,1277 78.79,1278 12,1279 12.025,1280 3.907,1281 3.17,1282 51.637,1283 95,1284 104,1285 0.258,1286 185.931,1287 330.99,1288 445.432,1289 6071,1290 2.2,1291 18.234,1292 0.729,1293 0.581,1294 18.734,1295 14.533,1296 12.028,1297 0.463,1298 0.311,1299 7.635,1300 11.282,1301 7.409,1302 6.161,1303 12.317,1304 8.098,1305 10.273,1306 0.302,1307 0.171,1308 10.681,1309 5.824,1310 8.402,1311 0.205,1312 0.092,1313 8.691,1314 3.778,1315 5.826,1316 0.127,1317 0.049,1318 5.992,1319 2.269,1320 4.807,1321 0.083,1322 0.027,1323 5.043,1324 1.565,1325 0.408,1326 78.777,1327 0.245,1328 24.628,1329 0.696,1330 120,1331 402.307,1332 145.876,1333 411.298,1334 530.47,1335 382,1336 135,1337 337.523,1338 154.729,1339 354.328,1340 509.05,1341 331,1342 4.301}
{0 CHEMBL215152,1 1.681,2 17.459,3 3.771,4 14.22,5 139.919,6 7.577,7 0.55,8 4.307,9 4.435,10 3.872,11 3.771,12 5.458,13 3.774,14 4.827,15 5.009,16 4.192,17 4.127,18 5.96,19 4.108,20 5.066,21 5.289,22 4.202,23 4.231,24 6.134,25 4.185,26 5.098,27 5.335,28 4.193,29 4.241,30 6.171,31 4.167,32 5.13,33 5.377,34 4.134,35 4.209,36 6.206,37 4.136,38 5.077,39 5.331,40 4.092,41 4.138,42 6.191,43 4.06,44 4.929,45 5.166,46 3.994,47 4.054,48 5.984,49 3.995,50 4.815,51 5.039,52 3.982,53 4.027,54 5.903,55 3.96,56 0.144,57 1.088,58 13.616,59 5.607,60 16.068,61 7.417,62 0.443,63 1.651,64 25.778,65 8.954,66 42.252,67 12.355,68 0.745,69 1.9,70 35.981,71 10.775,72 73.434,73 15.28,74 0.757,75 1.89,76 37.31,77 12.071,78 69.112,79 17.533,80 0.771,81 1.811,82 39.939,83 12.191,84 98.061,85 17.545,86 0.945,87 1.666,88 38.803,89 11.702,90 116.811,91 17.129,92 0.766,93 1.581,94 32.383,95 9.258,96 76.09,97 13.442,98 0.524,99 1.523,100 26.96,101 8.899,102 47.555,103 13.035,104 27,105 53,106 0.264,107 0.627,108 0.817,109 0.91,110 0.91,111 0.91,112 3.641,113 0.908,114 -4.34,115 -4.28,116 -4.04,118 38.8,119 1,120 2,124 5,138 8,139 1,140 3,142 1,143 2,144 1,148 1,151 1,161 1,163 4,166 1,167 10,170 3,172 7,173 7,177 4,180 1,181 1,182 2,184 2,187 3,188 9,191 2,192 1,193 5,195 6,199 1,200 2,203 2,205 3,208 3,212 2,213 9,216 2,217 1,218 3,221 7,225 3,228 2,230 3,233 2,236 3,237 6,240 1,242 5,245 5,249 2,252 1,254 4,257 1,260 3142,261 25.342,262 25.342,263 25.342,264 25.342,265 25.342,266 22.558,267 34.329,268 15.396,269 26.028,270 19.724,271 19.724,272 19.724,273 19.724,274 19.724,275 15.519,276 51.895,277 7.238,278 20.792,279 4.385,280 2.082,281 0.87,282 0.28,283 0.28,284 0.28,285 4.338,289 1,290 1367,291 4.472,293 108.317,294 361.786,298 188.83,301 3.229,302 42.761,305 0.75,306 0.5,307 0.67,308 0.7,309 0.5,310 0.67,311 0.5,312 0.61,313 82,314 646,315 4.526,316 3.63,317 6.529,318 4.042,319 3.075,320 4.464,321 1.987,322 10.306,323 2.975,324 4.148,325 3.155,326 5.728,327 3.759,328 2.788,329 3.75,330 0.86,331 8.122,332 2.706,333 4.055,334 2.951,335 5.572,336 3.626,337 2.667,338 3.657,339 0.8,340 7.651,341 2.553,342 3.774,343 2.876,344 5.43,345 3.401,346 2.478,347 3.213,348 0.4,349 7.171,350 2.298,351 3.616,352 2.804,353 5.299,354 3.36,355 2.423,356 2.867,357 0.324,358 6.787,359 2.259,360 3.466,361 2.709,362 5.15,363 3.232,364 2.266,365 2.655,367 6.375,368 2.172,369 3.34,370 2.319,371 4.961,372 2.925,373 1.993,374 2.466,376 5.729,377 1.848,378 3.206,379 2.24,380 4.757,381 2.769,382 1.816,383 2.442,385 5.211,386 1.715,387 3.039,388 1.87,389 4.44,390 2.567,391 1.597,392 2.252,394 4.417,395 1.537,396 2.96,397 1.693,398 4.148,399 2.482,400 1.543,401 2.119,403 3.725,404 1.442,405 2.657,406 1.567,407 3.617,408 2.369,409 1.417,410 1.728,411 3.03,412 1.342,413 2.518,414 1.476,415 3.479,416 2.171,417 1.18,418 1.52,419 2.587,420 1.165,421 2.385,422 1.275,423 3.402,424 2.02,425 1.099,426 1.341,427 2.224,428 1.003,429 2.206,430 1.022,431 3.28,432 1.904,433 0.947,434 1.102,435 1.822,436 0.904,437 2.103,438 0.864,439 3.13,440 1.71,441 0.728,442 1.064,443 1.738,444 0.714,445 17.086,446 0.462,447 0.724,448 0.02,449 47.5,450 1.284,451 23,452 0.622,453 24.5,454 0.662,455 31.584,456 0.854,457 41.114,458 0.614,459 38.653,460 1.045,461 9.642,462 0.261,463 8.391,464 0.227,465 0.085,467 0.287,470 1,471 0.795,472 1.298,473 0.782,474 1.15,475 0.658,476 0.992,477 0.887,478 1.151,479 0.895,480 1.079,481 0.658,482 1.003,483 1.179,484 1.024,485 1.052,486 0.934,487 1.017,488 0.953,489 0.727,490 0.948,491 0.91,492 1.057,493 0.646,494 1.032,495 1.015,496 0.92,497 0.957,498 0.977,499 1.099,500 0.96,501 0.83,502 0.823,503 0.828,504 0.857,505 0.7,506 0.857,507 1.144,508 0.934,509 1.035,510 0.836,511 0.938,512 0.894,513 0.648,514 1.004,515 0.948,516 1.095,517 0.546,518 1.084,519 7.5,520 0.206,521 2.667,522 2.444,523 1.449,524 0.962,525 0.534,526 0.481,527 0.303,528 0.306,529 24809,530 71439,531 2.071,532 44.8,534 18,536 1,537 4,538 2,539 3,540 2,542 1.775,543 1.965,544 4.047,545 1.525,550 112.603,551 1.681,552 3.984,553 5.196,554 5.786,555 5.786,556 5.786,557 3.517,558 5.155,559 5.172,560 4.276,561 2847.78,562 9.075,563 51192.2,568 406.428,569 1.283,570 5.153,571 0.188,572 0.006,573 0.05,574 0.047,575 0.029,576 0.02,577 0.012,578 0.011,579 0.007,580 0.008,581 0.379,583 0.75,584 1.56,585 210.706,586 -0.06,587 -0.137,588 0.034,589 -0.049,590 -0.055,591 0.002,592 -0.027,593 -0.09,594 0.003,595 -0.056,596 0.023,597 -0.031,598 -0.162,599 -0.012,600 -0.081,601 0.039,602 -0.102,603 0.007,604 0.112,605 -0.005,606 0.047,607 -0.064,608 0.09,609 -0.034,610 -0.053,611 -0.032,612 0.036,613 -0.003,614 -0.059,615 0.03,616 0.131,617 0.002,618 0.179,619 0.113,620 0.14,621 0.142,622 -0.124,623 0.019,624 -0.044,625 0.12,626 -0.099,627 0.068,628 0.095,629 -0.009,630 -0.026,631 -0.097,632 0.068,633 -0.093,634 2.084,635 5.319,636 0.568,637 61.746,638 1.012,639 1.141,640 3.115,641 9.701,642 0.649,643 3.714,644 3.989,645 4.205,646 4.454,647 4.605,648 4.673,649 4.787,650 4.942,651 5.05,652 5.124,653 10.066,654 0.627,655 507.63,656 3.714,657 5.231,658 6.052,659 6.907,660 7.743,661 8.604,662 9.448,663 10.314,664 11.164,665 12.034,666 10.4,669 1,673 1,674 2,676 3,680 2,681 9,682 3,683 1,686 6,688 22,699 1,703 1,704 1,705 67,706 23,707 2,708 40,710 70,711 26,712 17,713 5,714 7,717 4,718 5,721 2,727 2,729 18,730 8,733 1,737 1,740 1,745 1,747 30,748 10,749 4,750 11,755 7,760 0.75,761 3,762 1,771 1,774 1,778 1,779 3,783 1,790 1,800 1,801 1,803 3,807 1,809 1,811 37,816 1,817 7,818 2,819 1,822 1,832 1,833 4.5,834 1,836 1,838 1,841 18.833,842 11.976,843 8.389,844 4.04,847 4.241,848 1.511,849 0.961,850 9.52,851 12.544,852 3.97,853 4.535,854 5.07,855 5.663,856 6.143,857 6.418,858 6.796,859 7.218,860 7.598,861 7.779,862 0.917,863 52,864 13.677,865 5.722,866 7.892,867 25.769,868 20.475,869 2.392,870 88.5,874 306.049,875 143.188,876 106.043,878 78.828,879 14.96,881 143.188,882 384.877,883 121.003,884 8.825,885 33.989,886 118.493,887 91.855,888 79.255,889 22.373,890 294.278,892 306.049,893 249.231,894 93.788,897 262.153,898 95,899 42.683,900 91.375,901 107.621,902 50.234,904 321.009,905 184.871,906 143.188,909 306.049,910 49.934,911 96.378,912 52.685,913 144.022,914 306.049,915 199.831,916 143.188,918 0.563,919 0.32,920 0.176,921 0.089,922 22,923 10,924 0.186,925 13,926 1,927 1.095,928 4.954,929 329.043,930 0.095,931 21,932 192.75,936 26.642,937 13.221,938 7.782,939 1.513,940 183.168,941 14.521,942 12.897,943 2.832,946 2.348,948 95.368,949 649.068,950 52,954 12.293,957 -0.295,960 67.81,961 76.438,962 0.277,963 0.657,964 0.857,965 0.954,966 0.954,967 0.954,968 5.179,969 1.816,970 6.004,971 5.729,972 4.673,973 5.223,974 2.373,975 6.744,976 4.575,977 6.358,978 1.597,979 7.512,980 5.211,981 4.111,982 4.945,983 1.668,984 7.466,985 3.966,986 7.641,987 1.543,988 9.113,989 4.417,990 6.196,991 7.39,992 3.17,993 10.538,994 6.013,995 8.959,996 1.417,997 10.769,998 3.725,999 6.447,1000 7.962,1001 3.181,1002 12.104,1003 6.224,1004 10.307,1005 1.18,1006 12.463,1007 3.03,1008 7.967,1009 9.866,1010 4.326,1011 14.676,1012 7.711,1013 11.679,1014 1.099,1015 14.183,1016 2.587,1017 8.621,1018 10.869,1019 4.656,1020 16.637,1021 8.331,1022 13.069,1023 0.947,1024 15.924,1025 2.224,1026 9.892,1027 12.535,1028 5.604,1029 19.036,1030 9.572,1031 3.075,1032 0.728,1033 17.682,1034 1.822,1035 10.756,1036 13.769,1037 6.091,1038 21.191,1039 10.405,1040 2.788,1041 10.306,1042 19.454,1043 1.738,1044 11.917,1045 15.327,1046 6.928,1047 23.533,1048 11.537,1049 2.667,1050 8.122,1051 21.239,1052 4.464,1053 12.89,1054 16.682,1055 7.501,1056 25.78,1057 12.481,1058 2.478,1059 7.651,1060 23.035,1061 3.75,1062 14.005,1063 18.193,1064 8.273,1065 28.107,1066 13.568,1067 2.423,1068 7.171,1069 24.841,1070 3.657,1071 15.036,1072 19.611,1073 8.894,1074 30.397,1075 14.57,1076 2.266,1077 6.787,1078 26.656,1079 3.213,1080 16.135,1081 21.105,1082 9.631,1083 32.722,1084 15.641,1085 1.993,1086 6.375,1087 28.478,1088 2.867,1089 17.198,1090 22.556,1091 10.279,1092 35.033,1093 16.675,1094 23907,1095 40870,1096 26.929,1097 43.478,1098 57.72,1099 59.01,1100 59.7,1101 57.527,1102 57.475,1103 74.798,1104 8.742,1105 156.512,1106 54.599,1107 5.452,1108 5.63,1109 6.311,1110 5.126,1111 5.075,1112 7.464,1113 3.497,1114 17.2,1115 4.975,1116 17.777,1117 1.443,1118 1.475,1119 1.492,1120 1.438,1121 1.437,1122 1.87,1123 0.219,1124 3.913,1125 1.365,1126 4.079,1127 4.117,1128 4.047,1129 3.972,1130 8.201,1131 3.985,1132 3.943,1133 3.985,1134 3.896,1135 3.833,1136 7.429,1137 3.839,1138 3.875,1139 3.921,1140 3.827,1141 3.721,1142 6.456,1143 3.743,1144 3.771,1145 3.844,1146 3.637,1147 3.574,1148 5.109,1149 3.578,1150 3.525,1151 3.577,1152 3.435,1153 3.317,1154 4.966,1155 3.333,1156 3.436,1157 3.483,1158 3.361,1159 3.219,1160 4.674,1161 3.235,1162 3.35,1163 3.418,1164 3.214,1165 3.144,1166 4.659,1167 3.167,1168 3.331,1169 3.406,1170 3.108,1171 3.124,1172 4.275,1173 3.106,1174 0.113,1175 0.091,1176 0.163,1177 0.101,1178 0.077,1179 4.526,1180 0.112,1181 3.63,1182 0.05,1183 6.529,1184 0.258,1185 4.042,1186 0.074,1187 3.075,1188 4.464,1189 1.987,1190 10.306,1191 2.975,1192 2.002,1193 1.978,1194 2.064,1195 2.118,1196 1.267,1197 2.102,1198 1.882,1199 1.854,1200 1.986,1201 2.001,1202 1.171,1203 1.996,1204 1.724,1205 1.654,1206 1.961,1207 1.951,1208 1.063,1209 1.959,1210 1.641,1211 1.602,1212 1.788,1213 1.82,1214 1.024,1215 1.809,1216 1.486,1217 1.425,1218 1.769,1219 1.73,1220 0.975,1221 1.733,1222 1.389,1223 1.323,1224 1.677,1225 1.636,1226 0.871,1227 1.629,1228 1.339,1229 1.259,1230 1.524,1231 1.598,1232 0.549,1233 1.614,1234 1.235,1235 1.178,1236 1.378,1237 1.486,1238 0.469,1239 1.456,1240 4.394,1242 5.68,1243 2.398,1244 7.146,1245 4.595,1246 8.7,1247 6.555,1248 10.305,1250 2.07,1252 13.319,1255 9.089,1256 4.032,1257 5.819,1258 5.889,1261 2.173,1267 41.999,1268 112.603,1269 266.902,1270 348.163,1271 387.673,1272 387.673,1273 387.673,1274 80.399,1275 8.303,1276 128.29,1277 128.29,1278 23,1279 12.582,1280 4.585,1281 3.7,1282 65.309,1283 220,1284 236,1285 0.14,1286 259.143,1287 445.72,1288 624.07,1289 59378,1290 1.5,1291 26.037,1292 0.704,1293 0.556,1294 25.167,1295 20.576,1296 18.034,1297 0.451,1298 0.303,1299 11.89,1300 17.112,1301 11.684,1302 9.668,1303 17.64,1304 12.113,1305 15.637,1306 0.295,1307 0.158,1308 15.003,1309 8.4,1310 12.456,1311 0.189,1312 0.086,1313 12.136,1314 5.696,1315 10.618,1316 0.125,1317 0.045,1318 10.267,1319 3.856,1320 7.92,1321 0.08,1322 0.024,1323 7.79,1324 2.327,1325 0.23,1326 114.505,1327 0.193,1328 34.912,1329 0.355,1330 186,1331 639.311,1332 210.266,1333 585.122,1334 784.3,1335 548,1336 212,1337 563.94,1338 234.712,1339 559.909,1340 810.57,1341 527,1342 5.42}
{0 CHEMBL217090,1 1.653,2 12.568,3 4.38,4 19.188,5 140.031,6 7.751,7 0.405,8 4.348,9 4.45,10 3.959,11 3.83,12 5.355,13 3.832,14 4.951,15 5.11,16 4.331,17 4.238,18 5.942,19 4.22,20 5.176,21 5.385,22 4.369,23 4.352,24 6.084,25 4.291,26 5.154,27 5.366,28 4.374,29 4.324,30 6.133,31 4.253,32 5.106,33 5.32,34 4.377,35 4.346,36 6.031,37 4.276,38 5.154,39 5.351,40 4.443,41 4.386,42 6.123,43 4.336,44 5.196,45 5.378,46 4.517,47 4.406,48 6.235,49 4.376,50 5.202,51 5.391,52 4.37,53 4.401,54 6.197,55 4.329,56 0.087,57 0.979,58 13.947,59 6.414,60 7.359,61 8.03,62 0.626,63 1.594,64 30.497,65 10.862,66 37.045,67 13.747,68 0.765,69 1.855,70 43.073,71 13.818,72 46.448,73 18.497,74 1.142,75 1.796,76 44.051,77 13.881,78 65.485,79 18.839,80 0.615,81 1.799,82 39.635,83 13.479,84 45.072,85 18.491,86 0.703,87 1.864,88 41.72,89 13.883,90 48.072,91 18.467,92 0.972,93 1.958,94 43.486,95 13.013,96 65.021,97 17.089,98 1.077,99 1.963,100 42.523,101 13.91,102 67.242,103 18.504,104 2,105 58,106 0.26,107 0.554,108 0.757,109 0.835,110 0.848,111 0.848,112 3.642,113 0.954,114 -3.97,115 -3.92,116 -3.72,118 39.7,120 5,124 6,125 1,126 1,138 4,139 1,140 6,142 1,143 1,144 1,163 2,166 2,167 16,170 1,172 1,173 5,177 2,180 1,182 2,184 1,187 6,188 7,191 3,193 3,195 8,199 1,200 4,208 2,212 2,213 16,216 1,218 2,221 4,224 2,225 6,233 4,236 7,237 7,240 1,242 1,245 8,248 1,249 4,257 4,260 2960,261 25.861,262 25.861,263 25.861,264 25.861,265 25.861,266 23.804,267 38.525,268 15.584,269 26.81,270 20.83,271 20.83,272 20.83,273 20.83,274 20.83,275 17.6,276 54.635,277 7.477,278 22.411,279 4.435,280 2.571,281 1.279,282 0.787,283 0.706,284 0.706,285 4.363,286 1,289 1,290 1044,291 3.391,293 184.58,294 386.147,297 143.43,298 160.384,301 2.12,302 37.599,305 0.75,306 0.5,307 0.67,308 0.9,309 1,310 0.83,311 1,312 0.81,313 81.333,314 465,315 4.644,316 3.496,317 6.826,318 4.184,319 3.228,320 4.587,321 1.392,322 11.345,323 3.091,324 4.467,325 3.338,326 6.663,327 4.045,328 3.1,329 4.161,330 0.86,331 10.704,332 2.906,333 3.79,334 2.93,335 5.655,336 3.474,337 2.546,338 3.23,339 0.86,340 7.563,341 2.362,342 3.628,343 2.873,344 5.505,345 3.47,346 2.54,347 2.953,348 0.86,349 7.262,350 2.357,351 3.608,352 2.844,353 5.418,354 3.373,355 2.443,356 2.918,357 0.8,358 7.043,359 2.266,360 3.54,361 2.751,362 5.352,363 3.204,364 2.302,365 2.546,366 0.532,367 6.991,368 2.043,369 3.351,370 2.367,371 5.078,372 2.95,373 2.008,374 2.515,375 0.4,376 5.947,377 1.885,378 3.198,379 2.21,380 4.953,381 2.811,382 1.904,383 2.366,385 5.534,386 1.699,387 3.036,388 2.001,389 4.621,390 2.607,391 1.666,392 2.237,394 4.634,395 1.553,396 2.688,397 1.952,398 3.831,399 2.492,400 1.521,401 1.755,403 3.228,404 1.472,405 2.565,406 1.811,407 3.679,408 2.294,409 1.432,410 1.566,411 3.106,412 1.226,413 2.415,414 1.657,415 3.629,416 2.127,417 1.205,418 1.411,419 2.777,420 1.099,421 2.237,422 1.316,423 3.561,424 2.097,425 1.133,426 1.218,427 2.55,428 1.076,429 2.143,430 1.292,431 3.435,432 2.055,433 1.102,434 1.135,435 2.407,436 1.043,437 2,438 1.2,439 3.332,440 1.969,441 1,442 1,443 2.136,444 0.963,445 17.481,446 0.472,447 0.688,448 0.019,449 44.5,450 1.203,451 18.5,452 0.5,453 26,454 0.703,455 37.646,456 1.017,457 41.319,458 0.608,459 34.528,460 0.933,461 8.316,462 0.225,463 9.927,464 0.268,465 0.041,467 0.309,471 0.867,472 1.487,473 0.659,474 1.195,475 0.73,476 1.003,477 1.228,478 1.077,479 0.835,480 0.937,481 0.96,482 0.914,483 1.129,484 1.061,485 0.899,486 0.952,487 0.968,488 0.931,489 0.787,490 0.929,491 0.884,492 0.911,493 0.762,494 0.907,495 0.728,496 1.053,497 0.758,498 0.972,499 0.761,500 0.916,501 1.007,502 1.087,503 0.895,504 0.965,505 1.022,506 0.905,507 1.257,508 1.065,509 0.994,510 0.951,511 1.23,512 0.938,513 1.014,514 1.029,515 1.091,516 1.078,517 1.147,518 1.141,519 5.5,520 0.2,521 3.111,522 2.222,523 1.738,524 1.073,525 0.829,526 0.444,527 0.472,528 0.274,529 22334,530 55356,531 2.214,532 45.6,534 17,535 2,536 1,537 1,539 4,540 6,542 1.787,543 2.155,544 3.588,545 -0.338,550 112.376,551 1.653,552 3.517,553 4.808,554 5.301,555 5.382,556 5.382,557 3.115,558 4.628,559 5.174,560 3.827,561 2548.69,562 9.144,563 41275.7,568 413.947,569 1.043,570 5.174,571 0.131,572 0.004,573 0.054,574 0.039,575 0.031,576 0.019,577 0.013,578 0.007,579 0.008,580 0.006,581 0.312,582 0.33,583 0.75,584 0.282,585 202.474,586 -0.043,587 -0.26,588 0.06,589 -0.135,590 0.026,591 -0.023,592 -0.095,593 0.031,594 -0.004,595 0.041,596 0.034,597 0.024,598 -0.092,599 -0.051,600 0.035,601 0.023,602 0.008,603 0.039,604 0.241,605 0.068,606 0.106,607 0.073,608 0.258,609 0.071,610 0.071,611 -0.017,612 0.157,613 0.029,614 0.107,615 0.086,616 -0.016,617 -0.052,618 0.071,619 0.033,620 0.005,621 0.074,622 -0.085,623 0.021,624 -0.024,625 0.007,626 -0.049,627 -0.01,628 0.043,629 0.05,630 -0.182,631 -0.114,632 -0.073,633 -0.197,634 1.356,635 3.021,636 0.811,637 46.054,638 1.011,639 1.129,640 2.742,641 7.518,642 0.659,643 3.761,644 4.078,645 4.382,646 4.691,647 4.905,648 5.043,649 5.22,650 5.407,651 5.549,652 5.677,653 7.754,654 0.63,655 527.07,656 3.761,657 5.303,658 6.163,659 7.045,660 7.922,661 8.813,662 9.699,663 10.597,664 11.488,665 12.39,666 5.9,669 1,674 1,676 2,680 2,681 5,682 2,686 7,688 17,699 1,703 4,704 1,705 68,706 17,707 2,708 42,710 73,711 27,712 14,713 8,714 4,717 6,718 8,719 1,724 5,727 6,729 14,730 13,747 31,748 9,749 1,750 10,751 1,755 4,760 0.667,761 5,774 1,776 1,778 2,779 4,782 1,783 1,800 1,802 1,803 4,808 1,811 37,817 12,818 1,819 5,821 1,822 1,832 1,833 7.4,837 1,838 4,841 17.167,842 12.076,843 8.083,844 4.402,847 3.568,848 1.41,849 0.996,850 7.926,851 12.261,852 3.942,853 4.511,854 5.103,855 5.713,856 6.28,857 6.644,858 7.053,859 7.501,860 7.909,861 8.191,862 1,863 57,864 13.75,865 5.924,866 7.566,867 26.831,868 22.573,869 2.066,870 76.444,874 353.133,875 120.217,876 54.706,877 39.149,878 54.999,881 120.217,882 447.281,883 54.706,885 39.417,886 37.905,887 56.342,888 105.701,889 25.87,890 317.82,891 39.149,892 353.133,893 174.923,894 54.999,895 39.149,897 235.422,898 161.711,899 11,900 71.315,901 70.037,902 72.72,904 353.133,905 109.706,906 159.365,909 353.133,910 73.693,911 49.648,912 18.011,913 127.719,914 353.133,915 109.706,916 159.365,918 0.574,919 0.338,920 0.193,921 0.1,922 29,923 11,924 0.123,925 9,926 2,927 1.133,928 4.818,929 374.688,930 0.133,931 30,932 182.75,936 25.103,937 11.682,938 5.797,939 1.475,940 109.706,941 8.966,942 9.095,946 4.256,948 18.011,949 622.204,950 50.5,960 68.738,961 76.797,962 0.271,963 0.578,964 0.79,965 0.871,966 0.884,967 0.884,968 5.194,969 1.904,970 6.125,971 5.947,972 4.762,973 5.198,974 2.412,975 6.93,976 4.621,977 6.36,978 1.666,979 7.668,980 5.534,981 4.205,982 4.997,983 0.325,984 7.806,985 3.978,986 7.656,987 1.521,988 9.316,989 4.634,990 6.337,991 7.383,992 2.522,993 10.957,994 6.076,995 8.993,996 1.432,997 11.029,998 3.228,999 6.673,1000 8.097,1001 0.268,1002 12.736,1003 6.342,1004 10.37,1005 1.205,1006 12.787,1007 3.106,1008 8.204,1009 9.949,1010 2.905,1011 15.389,1012 7.84,1013 11.775,1014 1.133,1015 14.577,1016 2.777,1017 8.967,1018 11.085,1019 0.188,1020 17.541,1021 8.545,1022 13.203,1023 1.102,1024 16.39,1025 2.55,1026 10.258,1027 12.732,1028 3.437,1029 20.034,1030 9.8,1031 3.228,1032 1,1033 18.222,1034 2.407,1035 11.228,1036 14.067,1037 0.125,1038 22.341,1039 10.719,1040 3.1,1041 11.345,1042 20.068,1043 2.136,1044 12.425,1045 15.629,1046 4.041,1047 24.78,1048 11.877,1049 2.546,1050 10.704,1051 21.926,1052 4.587,1053 13.492,1054 17.056,1055 0.082,1056 27.148,1057 12.898,1058 2.54,1059 7.563,1060 23.794,1061 4.161,1062 14.656,1063 18.584,1064 4.677,1065 29.569,1066 14.021,1067 2.443,1068 7.262,1069 25.67,1070 3.23,1071 15.769,1072 20.054,1073 0.054,1074 31.963,1075 15.089,1076 2.302,1077 7.043,1078 27.552,1079 2.953,1080 16.923,1081 21.568,1082 5.327,1083 34.378,1084 16.201,1085 2.008,1086 6.991,1087 29.44,1088 2.918,1089 18.058,1090 23.059,1091 0.035,1092 36.783,1093 17.291,1094 20330,1095 32401,1096 29.413,1097 44.813,1098 61.973,1099 63.993,1100 62.641,1101 62.418,1102 62.285,1103 75.531,1104 11.406,1105 176.33,1106 57.721,1107 5.644,1108 5.496,1109 6.628,1110 5.272,1111 5.228,1112 7.587,1113 2.783,1114 18.515,1115 5.091,1116 8.163,1117 1.476,1118 1.524,1119 1.491,1120 1.486,1121 1.483,1122 1.798,1123 0.272,1124 4.198,1125 1.374,1126 4.093,1127 4.117,1128 4.096,1129 3.985,1130 5.125,1131 4.001,1132 3.931,1133 3.936,1134 3.986,1135 3.836,1136 5.023,1137 3.845,1138 3.862,1139 3.933,1140 3.73,1141 3.694,1142 4.722,1143 3.692,1144 3.787,1145 3.829,1146 3.663,1147 3.616,1148 4.703,1149 3.619,1150 3.561,1151 3.616,1152 3.495,1153 3.381,1154 4.628,1155 3.381,1156 3.386,1157 3.442,1158 3.45,1159 3.209,1160 4.432,1161 3.223,1162 3.298,1163 3.32,1164 3.263,1165 3.049,1166 4.328,1167 3.079,1168 3.123,1169 3.206,1170 3.053,1171 2.941,1172 4.144,1173 2.938,1174 0.111,1175 0.083,1176 0.163,1177 0.1,1178 0.077,1179 4.644,1180 0.109,1181 3.496,1182 0.033,1183 6.826,1184 0.27,1185 4.184,1186 0.074,1187 3.228,1188 4.587,1189 1.392,1190 11.345,1191 3.091,1192 2.005,1193 1.986,1194 2.057,1195 2.129,1196 1.327,1197 2.107,1198 1.834,1199 1.824,1200 1.965,1201 1.957,1202 1.239,1203 1.96,1204 1.747,1205 1.703,1206 1.906,1207 1.919,1208 1.211,1209 1.918,1210 1.663,1211 1.595,1212 1.876,1213 1.878,1214 1.168,1215 1.886,1216 1.577,1217 1.507,1218 1.86,1219 1.751,1220 1.037,1221 1.793,1222 1.376,1223 1.322,1224 1.617,1225 1.625,1226 0.909,1227 1.618,1228 1.27,1229 1.197,1230 1.513,1231 1.525,1232 0.825,1233 1.504,1234 1.16,1235 1.126,1236 1.459,1237 1.478,1238 0.58,1239 1.468,1240 4.443,1242 5.759,1243 3.045,1244 7.269,1245 5.209,1246 8.878,1247 7.14,1248 10.545,1251 6.538,1256 10.797,1257 3.357,1258 29.426,1260 0.039,1261 2.495,1267 42.862,1268 112.376,1269 239.122,1270 326.954,1271 360.438,1272 365.947,1273 365.947,1274 57.292,1275 8.693,1276 87.2,1277 87.2,1278 34,1279 12.913,1280 4.17,1281 3.248,1282 50.732,1283 164,1284 201,1285 0.143,1286 257.475,1287 450.84,1288 620,1289 82912,1290 1.5,1291 25.029,1292 0.676,1293 0.58,1294 25.529,1295 21.466,1296 18.242,1297 0.434,1298 0.318,1299 12.758,1300 17.001,1301 12.572,1302 10.246,1303 18.531,1304 13.357,1305 16.11,1306 0.278,1307 0.171,1308 16.48,1309 9.907,1310 13.932,1311 0.176,1312 0.092,1313 14.29,1314 7.27,1315 12.204,1316 0.113,1317 0.048,1318 12.479,1319 5.237,1320 9.585,1321 0.072,1322 0.025,1323 9.907,1324 3.339,1325 0.223,1326 119.099,1327 0.184,1328 33.628,1329 0.396,1330 200,1331 616.149,1332 241.143,1333 596.027,1334 815.09,1335 566,1336 237,1337 579.522,1338 275.8,1339 584.125,1340 870.54,1341 551,1342 8.523}
{0 CHEMBL217092,1 1.678,2 13.342,3 3.814,4 14.549,5 143.675,6 7.744,7 0.395,8 4.379,9 4.486,10 3.989,11 3.836,12 5.394,13 3.844,14 4.98,15 5.15,16 4.362,17 4.241,18 5.972,19 4.234,20 5.196,21 5.392,22 4.429,23 4.404,24 6.125,25 4.35,26 5.25,27 5.469,28 4.408,29 4.402,30 6.194,31 4.314,32 5.221,33 5.467,34 4.397,35 4.362,36 6.109,37 4.29,38 5.122,39 5.305,40 4.464,41 4.39,42 6.117,43 4.35,44 5.21,45 5.382,46 4.551,47 4.453,48 6.259,49 4.415,50 5.287,51 5.495,52 4.406,53 4.431,54 6.246,55 4.357,56 0.102,57 1.028,58 14.474,59 6.343,60 8.245,61 8.124,62 0.721,63 1.646,64 31.978,65 10.335,66 39.227,67 13.466,68 0.854,69 1.933,70 42.846,71 13.769,72 46.581,73 18.462,74 1.091,75 1.959,76 47.855,77 15.498,78 65.579,79 21.465,80 0.866,81 1.904,82 47.196,83 14.148,84 57.549,85 20.151,86 0.76,87 1.848,88 39.646,89 13.023,90 46.131,91 17.352,92 0.93,93 2.023,94 42.662,95 13.628,96 62.52,97 18.07,98 1.113,99 2.06,100 47.615,101 14.881,102 71.305,103 20.439,104 5,105 60,106 0.263,107 0.557,108 0.769,109 0.829,110 0.847,111 0.847,112 3.668,113 0.937,114 -3.24,115 -3.23,116 -3.1,118 38.6,120 2,123 1,124 8,125 1,126 1,138 4,139 1,140 6,142 1,143 1,144 1,163 1,166 2,167 12,170 1,172 1,173 5,176 2,177 2,180 1,182 2,184 1,187 5,188 7,191 3,193 3,195 4,199 1,200 6,208 2,212 3,213 10,216 1,218 2,221 3,224 4,225 7,233 4,236 5,237 7,240 1,245 2,248 2,249 6,252 1,257 4,260 3174,261 26.308,262 26.308,263 26.308,264 26.308,265 26.308,266 24.252,267 39.185,268 15.671,269 27.379,270 21.297,271 21.297,272 21.297,273 21.297,274 21.297,275 18.066,276 57.171,277 7.515,278 23.048,279 4.451,280 2.574,281 1.221,282 0.839,283 0.725,284 0.725,285 4.388,286 1,289 1,290 1134,291 3.317,293 80.776,294 523.505,297 148.204,298 165.379,301 2.079,302 38.668,305 0.75,306 0.5,307 0.83,308 0.9,309 1,310 0.83,311 1,312 0.83,313 83.833,314 507,315 4.644,316 3.496,317 6.826,318 4.184,319 3.228,320 4.587,321 1.392,322 11.345,323 3.091,324 4.467,325 3.338,326 6.663,327 4.045,328 3.1,329 4.161,330 0.86,331 10.704,332 2.906,333 3.792,334 2.961,335 5.655,336 3.541,337 2.622,338 3.23,339 0.86,340 7.565,341 2.408,342 3.631,343 2.929,344 5.505,345 3.471,346 2.541,347 2.953,348 0.86,349 7.264,350 2.357,351 3.621,352 2.858,353 5.431,354 3.372,355 2.443,356 2.919,357 0.8,358 7.166,359 2.265,360 3.598,361 2.751,362 5.398,363 3.205,364 2.302,365 2.619,366 0.8,367 7.021,368 2.044,369 3.351,370 2.476,371 5.078,372 3.011,373 2.104,374 2.517,375 0.532,376 5.948,377 1.906,378 3.202,379 2.364,380 4.955,381 2.95,382 2.008,383 2.366,384 0.4,385 5.7,386 1.885,387 3.1,388 2.204,389 4.885,390 2.792,391 1.886,392 2.238,394 5.521,395 1.681,396 3.032,397 1.994,398 4.621,399 2.596,400 1.658,401 2.103,403 4.633,404 1.541,405 2.685,406 1.95,407 3.823,408 2.295,409 1.435,410 1.752,411 3.107,412 1.226,413 2.418,414 1.807,415 3.631,416 2.129,417 1.209,418 1.414,419 2.791,420 1.1,421 2.24,422 1.479,423 3.57,424 2.101,425 1.143,426 1.223,427 2.583,428 1.077,429 2.198,430 1.301,431 3.451,432 2.037,433 1.104,434 1.182,435 2.473,436 1.02,437 2,438 1.2,439 3.416,440 1.969,441 1,442 1,443 2.275,444 0.965,445 17.881,446 0.471,447 0.794,448 0.021,449 45.75,450 1.204,451 18.5,452 0.487,453 27.25,454 0.717,455 38.642,456 1.017,457 42.719,458 0.61,459 37.069,460 0.976,461 8.921,462 0.235,463 9.715,464 0.256,465 0.068,467 0.324,471 0.885,472 1.601,473 0.662,474 1.243,475 0.753,476 1.027,477 1.306,478 1.003,479 0.837,480 0.835,481 0.988,482 0.828,483 1.134,484 1.036,485 0.947,486 0.977,487 0.998,488 0.977,489 0.689,490 1.077,491 0.877,492 1.065,493 0.689,494 1.028,495 0.84,496 0.875,497 0.708,498 0.78,499 0.808,500 0.751,501 1.044,502 1.052,503 0.939,504 0.946,505 1.069,506 0.907,507 1.077,508 1.152,509 1,510 1.104,511 1.141,512 1.068,513 1.007,514 1.076,515 1.007,516 1.059,517 1.091,518 1.079,519 6.5,520 0.217,521 3.556,522 2.25,523 1.876,524 1.25,525 0.793,526 0.529,527 0.52,528 0.333,529 23734,530 60360,531 2.192,532 45.7,534 24,535 2,536 1,537 1,540 4,542 1.793,543 2.111,544 3.645,545 -0.322,550 117.449,551 1.678,552 3.555,553 4.908,554 5.29,555 5.404,556 5.404,557 3.144,558 4.86,559 5.213,560 3.864,561 2716.12,562 9.22,563 44764.9,568 429.05,569 1.167,570 5.205,571 0.151,572 0.005,573 0.059,574 0.037,575 0.033,576 0.022,577 0.012,578 0.008,579 0.009,580 0.007,581 0.342,582 0.33,583 0.63,584 0.362,585 209.731,586 -0.049,587 -0.345,588 0.064,589 -0.174,590 0.008,591 -0.043,592 -0.14,593 0.124,594 0.009,595 0.125,596 0.012,597 0.097,598 -0.093,599 0.013,600 -0.026,601 0.012,602 -0.027,603 -0.009,604 0.234,605 -0.096,606 0.085,607 -0.059,608 0.26,609 -0.024,610 0.039,611 0.101,612 0.234,613 0.189,614 0.107,615 0.244,616 -0.034,617 0.027,618 0.027,619 0.067,620 -0.028,621 0.069,622 -0.008,623 -0.043,624 -0.056,625 -0.107,626 -0.018,627 -0.115,628 0.03,629 -0.048,630 -0.089,631 -0.09,632 -0.035,633 -0.116,634 1.359,635 3.034,636 0.816,637 47.476,638 1.012,639 1.133,640 2.011,641 4.045,642 0.655,643 3.784,644 4.111,645 4.407,646 4.71,647 4.97,648 5.081,649 5.242,650 5.434,651 5.587,652 5.727,653 7.907,654 0.627,655 542.09,656 3.784,657 5.333,658 6.192,659 7.076,660 7.953,661 8.844,662 9.73,663 10.627,664 11.518,665 12.419,666 7.1,669 2,674 1,676 2,680 2,681 5,682 2,686 7,688 17,699 1,703 4,704 1,705 70,706 17,707 2,708 43,710 75,711 27,712 14,713 8,714 4,717 6,718 8,719 1,724 3,727 3,729 14,730 13,747 32,748 10,749 1,750 11,751 1,755 5,760 0.667,761 5,774 1,778 1,779 5,782 1,783 1,800 2,802 1,803 4,807 1,808 1,811 38,817 11,818 1,819 5,821 1,822 2,832 1,833 7.1,837 1,838 4,841 18,842 12.776,843 8.25,844 4.302,847 3.559,848 1.405,849 0.991,850 8.132,851 12.35,852 3.961,853 4.533,854 5.115,855 5.72,856 6.297,857 6.653,858 7.059,859 7.509,860 7.921,861 8.211,862 0.889,863 61,864 14.107,865 6.051,866 7.577,867 27.429,868 22.895,869 2.077,870 78.944,874 364.904,875 125.221,876 57.83,877 39.149,878 54.999,881 125.221,882 459.052,883 57.83,884 8.396,885 36.025,886 37.905,887 56.342,888 108.826,889 25.87,890 329.591,891 39.149,892 364.904,893 183.051,894 54.999,895 39.149,897 317.82,898 91.084,899 11,900 71.047,901 78.433,902 72.72,904 364.904,905 112.83,906 164.37,909 364.904,910 70.301,911 61.169,912 18.011,913 127.719,914 364.904,915 112.83,916 164.37,918 0.579,919 0.338,920 0.189,921 0.106,922 30,923 12,924 0.107,925 8,926 2,927 1.129,928 4.848,929 389.374,930 0.129,931 31,932 189.421,936 26.013,937 11.879,938 6.022,939 1.459,940 112.83,941 8.948,942 9.107,946 4.21,948 18.011,949 642.104,950 51.5,960 70.84,961 79.295,962 0.274,963 0.58,964 0.801,965 0.863,966 0.882,967 0.882,968 5.222,969 2.008,970 6.163,971 5.948,972 4.796,973 5.22,974 2.494,975 6.971,976 4.645,977 6.393,978 1.886,979 7.711,980 5.7,981 4.29,982 5.037,983 0.57,984 7.849,985 4.057,986 7.69,987 1.658,988 9.36,989 5.521,990 6.378,991 7.398,992 2.558,993 10.984,994 6.104,995 9.025,996 1.435,997 11.071,998 4.633,999 6.723,1000 8.109,1001 0.479,1002 12.751,1003 6.382,1004 10.399,1005 1.209,1006 12.825,1007 3.107,1008 8.244,1009 9.956,1010 2.92,1011 15.402,1012 7.865,1013 11.8,1014 1.143,1015 14.61,1016 2.791,1017 9,1018 11.09,1019 0.346,1020 17.547,1021 8.568,1022 13.224,1023 1.104,1024 16.418,1025 2.583,1026 10.29,1027 12.734,1028 3.442,1029 20.04,1030 9.818,1031 3.228,1032 1,1033 18.245,1034 2.473,1035 11.252,1036 14.068,1037 0.237,1038 22.344,1039 10.734,1040 3.1,1041 11.345,1042 20.087,1043 2.275,1044 12.449,1045 15.63,1046 4.043,1047 24.782,1048 11.89,1049 2.622,1050 10.704,1051 21.941,1052 4.587,1053 13.511,1054 17.057,1055 0.158,1056 27.15,1057 12.907,1058 2.541,1059 7.565,1060 23.806,1061 4.161,1062 14.673,1063 18.584,1064 4.678,1065 29.57,1066 14.029,1067 2.443,1068 7.264,1069 25.68,1070 3.23,1071 15.783,1072 20.054,1073 0.104,1074 31.963,1075 15.095,1076 2.302,1077 7.166,1078 27.56,1079 2.953,1080 16.935,1081 21.569,1082 5.327,1083 34.378,1084 16.206,1085 2.104,1086 7.021,1087 29.446,1088 2.919,1089 18.068,1090 23.059,1091 0.068,1092 36.783,1093 17.296,1094 21729,1095 35028,1096 29.819,1097 45.818,1098 63.887,1099 65.738,1100 65.001,1101 64.071,1102 63.951,1103 77.194,1104 13.006,1105 182.682,1106 58.945,1107 5.644,1108 5.496,1109 6.628,1110 5.271,1111 5.228,1112 7.587,1113 2.783,1114 18.515,1115 5.091,1116 12.296,1117 1.486,1118 1.529,1119 1.512,1120 1.49,1121 1.487,1122 1.795,1123 0.302,1124 4.248,1125 1.371,1126 4.093,1127 4.118,1128 4.096,1129 3.984,1130 5.125,1131 4.001,1132 3.931,1133 3.936,1134 3.986,1135 3.836,1136 5.023,1137 3.845,1138 3.85,1139 3.928,1140 3.73,1141 3.644,1142 4.722,1143 3.654,1144 3.787,1145 3.829,1146 3.663,1147 3.614,1148 4.703,1149 3.618,1150 3.52,1151 3.575,1152 3.495,1153 3.299,1154 4.629,1155 3.324,1156 3.362,1157 3.429,1158 3.432,1159 3.157,1160 4.444,1161 3.165,1162 3.298,1163 3.32,1164 3.231,1165 3.049,1166 4.369,1167 3.079,1168 3.134,1169 3.206,1170 3.054,1171 2.941,1172 4.146,1173 2.938,1174 0.108,1175 0.081,1176 0.159,1177 0.097,1178 0.075,1179 4.644,1180 0.107,1181 3.496,1182 0.032,1183 6.826,1184 0.264,1185 4.184,1186 0.072,1187 3.228,1188 4.587,1189 1.392,1190 11.345,1191 3.091,1192 2.005,1193 1.986,1194 2.057,1195 2.13,1196 1.327,1197 2.108,1198 1.834,1199 1.824,1200 2.003,1201 2.024,1202 1.318,1203 2.024,1204 1.788,1205 1.714,1206 1.964,1207 1.956,1208 1.176,1209 1.959,1210 1.747,1211 1.702,1212 1.881,1213 1.912,1214 1.039,1215 1.91,1216 1.451,1217 1.392,1218 1.711,1219 1.706,1220 0.969,1221 1.708,1222 1.303,1223 1.239,1224 1.513,1225 1.542,1226 0.825,1227 1.525,1228 1.161,1229 1.127,1230 1.513,1231 1.506,1232 0.825,1233 1.479,1234 1.153,1235 1.064,1236 1.513,1237 1.378,1238 0.622,1239 1.429,1240 4.466,1242 5.79,1243 2.398,1244 7.311,1245 4.595,1246 8.928,1247 6.605,1248 10.599,1250 2.16,1251 6.546,1256 8.853,1257 3.358,1258 29.496,1260 0.03,1261 4.778,1267 43.884,1268 117.449,1269 248.864,1270 343.566,1271 370.295,1272 378.295,1273 378.295,1274 59.054,1275 8.791,1276 90.44,1277 90.44,1278 35,1279 12.942,1280 4.17,1281 3.248,1282 52.785,1283 172,1284 230,1285 0.141,1286 264.27,1287 461.84,1288 636.578,1289 93143,1290 1.4,1291 25.899,1292 0.682,1293 0.584,1294 26.399,1295 22.206,1296 18.636,1297 0.433,1298 0.312,1299 12.802,1300 17.283,1301 12.56,1302 10.236,1303 18.925,1304 13.436,1305 16.731,1306 0.279,1307 0.169,1308 17.102,1309 10.149,1310 14.342,1311 0.177,1312 0.092,1313 14.701,1314 7.456,1315 12.352,1316 0.112,1317 0.047,1318 12.627,1319 5.117,1320 10.324,1321 0.072,1322 0.026,1323 10.645,1324 3.65,1325 0.221,1326 122.159,1327 0.183,1328 34.325,1329 0.392,1330 206,1331 641.794,1332 248.891,1333 619.653,1334 844.89,1335 588,1336 244,1337 598.283,1338 285.076,1339 604.582,1340 898.71,1341 568,1342 8.398}
{0 CHEMBL2171124,1 1.712,2 12.606,3 3.963,4 15.709,5 120.824,6 8.519,7 0.595,8 4.104,9 4.218,10 3.776,11 3.654,12 5.304,13 3.667,14 4.658,15 4.816,16 4.246,17 4.077,18 6.225,19 4.081,20 4.841,21 5.007,22 4.249,23 4.224,24 6.067,25 4.198,26 4.982,27 5.179,28 4.241,29 4.231,30 6.245,31 4.196,32 4.964,33 5.177,34 4.122,35 4.159,36 6.176,37 4.107,38 4.913,39 5.144,40 3.996,41 4.076,42 6.095,43 4.02,44 4.822,45 5.056,46 4.006,47 4.019,48 6.181,49 3.941,50 4.686,51 4.911,52 3.866,53 3.904,54 5.788,55 3.838,56 0.151,57 1.038,58 8.107,59 4.602,60 26.706,61 5.161,62 0.936,63 2.023,64 18.307,65 8.002,66 140.779,67 9.214,68 0.438,69 1.914,70 21.269,71 10.107,72 45.337,73 12.03,74 0.771,75 2.102,76 28.517,77 11.758,78 100.559,79 13.671,80 0.738,81 1.935,82 29.477,83 11.394,84 98.99,85 13.875,86 0.886,87 1.818,88 30.25,89 10.487,90 131.657,91 12.541,92 1.014,93 1.588,94 27.356,95 9.933,96 143.65,97 13.627,98 0.465,99 1.511,100 21.976,101 8.954,102 59.952,103 11.53,104 38,105 56,106 0.28,107 0.653,108 0.817,109 0.877,110 0.884,111 0.884,112 3.532,113 0.841,114 -6.04,115 -5.89,116 -5.48,118 45.3,120 2,123 1,124 1,130 1,138 7,139 6,140 1,143 1,144 1,147 1,151 1,154 1,156 1,157 1,158 1,163 14,166 3,167 9,169 1,170 1,172 1,173 16,175 1,177 7,182 1,184 13,186 1,187 1,188 12,190 2,191 2,193 1,195 8,197 1,200 13,205 2,208 6,211 2,213 9,218 2,221 9,223 2,224 1,225 3,230 1,233 12,235 1,236 2,237 1,239 1,240 1,245 11,248 1,249 1,257 7,260 1802,261 21.781,262 21.781,263 21.781,264 21.781,265 21.781,266 19.082,267 23.378,268 12.303,269 22.358,270 18.256,271 18.256,272 18.256,273 18.256,274 18.256,275 14.057,276 25.956,277 5.81,278 19.255,279 4.016,280 1.74,281 0.739,282 0.368,283 0.33,284 0.33,285 4.234,288 1,289 1,290 913,291 3.937,293 141.417,294 278.392,297 259.907,301 2.211,302 50.881,305 0.75,306 0.67,307 1,308 0.8,309 0.5,310 1,311 1,312 0.82,313 74,314 416,315 4.74,316 4.461,317 7.116,318 4.283,319 3.321,320 4.718,321 3.825,322 11.879,323 3.222,324 4.458,325 3.797,326 6.988,327 4.184,328 3.311,329 3.996,330 2.015,331 11.69,332 3.025,333 4.406,334 3.331,335 6.689,336 4.097,337 3.136,338 3.867,339 0.625,340 10.795,341 2.901,342 3.941,343 3.084,344 5.976,345 3.604,346 2.619,347 3.289,348 0.111,349 8.395,350 2.558,351 3.77,352 2.653,353 5.669,354 3.412,355 2.443,356 3.11,358 7.562,359 2.349,360 3.649,361 2.474,362 5.499,363 3.182,364 2.261,365 3.083,367 6.832,368 2.078,369 3.495,370 2.373,371 5.312,372 3.113,373 2.127,374 2.752,376 6.56,377 2.075,378 3.016,379 1.951,380 4.591,381 2.55,382 1.595,383 2.247,385 4.599,386 1.521,387 2.92,388 1.876,389 4.464,390 2.519,391 1.547,392 2.057,394 4.123,395 1.487,396 2.844,397 1.618,398 4.359,399 2.403,400 1.436,401 1.959,403 4.018,404 1.372,405 2.712,406 1.439,407 4.327,408 2.227,409 1.299,410 1.799,411 3.66,412 1.202,413 2.571,414 1.354,415 3.875,416 2.111,417 1.141,418 1.601,419 2.879,420 1.094,421 2.488,422 1.198,423 3.626,424 2.075,425 1.089,426 1.466,427 2.521,428 1.066,429 2.252,430 1.006,431 3.483,432 1.911,433 0.946,434 1.177,435 2.411,436 0.91,437 1.748,438 0.709,439 3.207,440 1.489,441 0.501,442 0.603,443 1.271,444 0.494,445 15.19,446 0.46,447 1.125,448 0.034,449 44.75,450 1.356,451 22.5,452 0.682,453 22.25,454 0.674,455 27.13,456 0.822,457 35.21,458 0.664,459 38.174,460 1.157,461 8.928,462 0.271,463 6.792,464 0.206,465 0.138,466 0.033,467 0.382,469 3,471 0.597,472 1.031,473 0.635,474 0.994,475 0.592,476 0.869,477 0.435,478 0.66,479 0.654,480 0.779,481 0.361,482 0.783,483 0.657,484 0.969,485 0.867,486 1.132,487 0.589,488 1.093,489 0.941,490 0.956,491 1.045,492 1.1,493 0.941,494 1.11,495 0.889,496 0.937,497 1.045,498 1.102,499 0.868,500 1.125,501 1.096,502 0.855,503 1.165,504 0.907,505 1.091,506 1.007,507 0.31,508 0.616,509 0.783,510 0.911,511 0.333,512 0.992,513 0.583,514 0.896,515 0.895,516 1.137,517 0.583,518 1.135,519 8,520 0.128,521 4.667,522 3.361,523 2.442,524 1.084,525 0.875,526 0.523,527 0.454,528 0.406,529 16209,530 54134,531 2.087,532 37.7,534 12,535 1,536 1,537 2,538 2,539 2,542 1.749,543 1.913,544 3.589,545 0.222,547 1,550 90.738,551 1.712,552 3.988,553 4.989,554 5.36,555 5.398,556 5.398,557 3.037,558 4.658,559 5.017,560 3.822,561 2017.91,562 8.768,563 30181.2,565 1,568 303.58,569 1.656,570 4.952,571 0.216,572 0.005,573 0.083,574 0.059,575 0.045,576 0.023,577 0.021,578 0.013,579 0.013,580 0.013,581 0.491,582 0.33,583 0.75,584 0.753,585 175.602,586 -0.05,587 -0.101,588 0.029,589 -0.017,590 -0.091,591 0.023,592 0.375,593 0.355,594 0.156,595 0.191,596 0.387,597 0.125,598 -0.047,599 -0.142,600 -0.067,601 -0.152,602 0.002,603 -0.127,604 -0.09,605 -0.051,606 -0.127,607 -0.117,608 -0.076,609 -0.131,610 -0.099,611 -0.135,612 -0.096,613 -0.129,614 -0.056,615 -0.117,616 -0.19,617 0.035,618 -0.167,619 0.059,620 -0.18,621 -0.006,622 0.36,623 0.12,624 0.189,625 0.06,626 0.309,627 0.057,628 0.052,629 -0.115,630 0.039,631 -0.162,632 0.012,633 -0.099,634 5.689,635 5.924,636 0.727,637 35.897,638 1.025,639 1.141,640 4.809,641 23.127,642 0.682,643 3.638,644 4.043,645 4.344,646 4.654,647 4.883,648 4.984,649 5.176,650 5.342,651 5.476,652 5.624,653 7.64,654 0.674,655 451.49,656 3.638,657 5.231,658 6.111,659 7.031,660 7.929,661 8.848,662 9.753,663 10.672,664 11.582,665 12.5,666 9.4,670 1,673 1,674 1,676 2,680 2,681 9,682 2,686 7,687 1,688 22,698 1,705 53,706 23,707 2,708 37,710 57,711 24,712 18,713 5,714 7,717 5,718 7,721 1,724 1,726 1,727 2,729 19,730 5,733 1,737 1,740 1,744 1,745 3,747 20,748 8,749 2,750 9,755 5,760 0.6,761 1,774 1,775 1,778 2,779 3,782 2,791 1,803 3,807 1,809 3,811 33,812 1,817 3,822 1,823 1,832 3,833 1.9,836 1,841 17.25,842 9.979,843 6.889,844 3.065,847 4.245,848 1.495,849 1.044,850 5.139,851 12.818,852 3.912,853 4.588,854 5.221,855 5.864,856 6.413,857 6.75,858 7.213,859 7.652,860 7.984,861 8.361,862 1,863 57,864 12.679,865 6.045,866 8.149,867 22.668,868 19.247,869 2.649,870 87.417,873 1,874 211.88,875 137.336,876 71.492,878 25.145,879 44.88,881 137.336,882 237.025,883 116.372,884 8.396,885 10.299,886 108.278,887 76.907,888 76.656,889 14.099,890 188.338,891 7.76,892 211.88,893 208.828,894 70.025,897 188.338,898 93.567,900 30.292,901 144.965,902 33.571,904 256.76,905 96.637,906 137.336,909 219.639,910 37.18,911 97.42,913 136.494,914 211.88,915 141.517,916 137.336,918 0.606,919 0.356,920 0.193,921 0.104,922 30,923 14,924 0.053,925 3,926 2,927 1.167,928 4.302,929 321.788,930 0.167,931 24,932 161.71,936 21.48,937 7.894,938 3.851,939 1.506,940 139.618,941 14.095,942 8.411,946 3.602,947 1.89,948 32.897,949 490.733,950 49,954 12.924,957 -0.233,960 54.327,961 60.457,962 0.299,963 0.696,964 0.871,965 0.936,966 0.942,967 0.942,968 5.196,969 1.595,970 6.159,971 6.56,972 4.727,973 5.276,974 3.348,975 7.06,976 4.632,977 6.452,978 1.547,979 7.783,980 4.599,981 4.575,982 5.255,983 3.987,984 8.244,985 4.36,986 7.802,987 1.436,988 9.512,989 4.123,990 6.45,991 7.557,992 5.515,993 11.319,994 6.249,995 9.187,996 1.299,997 11.304,998 4.018,999 7.083,1000 8.334,1001 6.72,1002 13.294,1003 6.763,1004 10.604,1005 1.141,1006 13.134,1007 3.66,1008 8.5,1009 10.162,1010 8.083,1011 15.942,1012 8.174,1013 12.043,1014 1.089,1015 14.991,1016 2.879,1017 9.457,1018 11.321,1019 9.398,1020 18.213,1021 9.032,1022 13.499,1023 0.946,1024 16.868,1025 2.521,1026 10.716,1027 12.96,1028 10.741,1029 20.729,1030 10.263,1031 3.321,1032 0.501,1033 18.759,1034 2.411,1035 11.808,1036 14.309,1037 12.077,1038 23.112,1039 11.275,1040 3.311,1041 11.879,1042 20.66,1043 1.271,1044 13.014,1045 15.874,1046 13.418,1047 25.586,1048 12.44,1049 3.136,1050 11.69,1051 22.571,1052 4.718,1053 14.16,1054 17.318,1055 14.759,1056 28.013,1057 13.52,1058 2.619,1059 10.795,1060 24.488,1061 3.996,1062 15.35,1063 18.858,1064 16.1,1065 30.473,1066 14.663,1067 2.443,1068 8.395,1069 26.41,1070 3.867,1071 16.52,1072 20.35,1073 17.441,1074 32.918,1075 15.776,1076 2.261,1077 7.562,1078 28.337,1079 3.289,1080 17.707,1081 21.884,1082 18.783,1083 35.376,1084 16.914,1085 2.127,1086 6.832,1087 30.268,1088 3.11,1089 18.887,1090 23.4,1091 20.125,1092 37.829,1093 18.042,1094 15188,1095 27964,1096 24.274,1097 36.148,1098 58.29,1099 58.483,1100 59.551,1101 57.775,1102 57.543,1103 75.451,1104 13.152,1105 178.389,1106 54.706,1107 5.666,1108 6.461,1109 6.662,1110 5.355,1111 5.321,1112 7.718,1113 5.339,1114 19.249,1115 5.222,1116 19.003,1117 1.575,1118 1.581,1119 1.609,1120 1.561,1121 1.555,1122 2.039,1123 0.355,1124 4.821,1125 1.479,1126 4.156,1127 4.194,1128 4.129,1129 4.055,1130 8.513,1131 4.068,1132 3.985,1133 4.02,1134 3.94,1135 3.89,1136 7.999,1137 3.894,1138 3.915,1139 3.946,1140 3.869,1141 3.82,1142 7.999,1143 3.83,1144 3.523,1145 3.563,1146 3.479,1147 3.349,1148 7.427,1149 3.368,1150 3.415,1151 3.497,1152 3.345,1153 3.19,1154 5.236,1155 3.208,1156 3.346,1157 3.405,1158 3.28,1159 3.136,1160 4.828,1161 3.15,1162 3.218,1163 3.266,1164 3.117,1165 2.963,1166 4.709,1167 3.001,1168 3.031,1169 3.112,1170 2.913,1171 2.871,1172 4.675,1173 2.868,1174 0.128,1175 0.121,1176 0.192,1177 0.116,1178 0.09,1179 4.74,1180 0.128,1181 4.461,1182 0.103,1183 7.116,1184 0.321,1185 4.283,1186 0.087,1187 3.321,1188 4.718,1189 3.825,1190 11.879,1191 3.222,1192 1.951,1193 1.93,1194 2.039,1195 2.038,1196 1.221,1197 2.035,1198 1.925,1199 1.903,1200 2.015,1201 2.018,1202 1.193,1203 2.01,1204 1.778,1205 1.733,1206 1.857,1207 1.961,1208 1.029,1209 1.945,1210 1.54,1211 1.488,1212 1.753,1213 1.766,1214 0.93,1215 1.755,1216 1.523,1217 1.463,1218 1.696,1219 1.724,1220 0.81,1221 1.725,1222 1.294,1223 1.241,1224 1.52,1225 1.515,1226 0.695,1227 1.506,1228 1.084,1229 1.036,1230 1.305,1231 1.377,1232 0.381,1233 1.316,1234 1.04,1235 0.977,1236 1.205,1237 1.252,1238 0.262,1239 1.268,1240 4.317,1242 5.7,1243 3.045,1244 7.266,1245 5.476,1246 8.914,1247 7.644,1248 10.606,1250 1.889,1252 38.978,1254 6.105,1256 1.05,1261 1.639,1262 -4.439,1267 35.713,1268 90.738,1269 211.36,1270 264.419,1271 284.07,1272 286.07,1273 286.07,1274 69.932,1275 8.573,1276 77.04,1277 77.04,1278 28,1279 13.011,1280 4.585,1281 3.7,1282 48.059,1283 154,1284 127,1285 0.154,1286 213.381,1287 371.32,1288 512.409,1289 71404,1290 5.7,1291 23.328,1292 0.707,1293 0.537,1294 20.828,1295 17.726,1296 15.719,1297 0.425,1298 0.28,1299 10.186,1300 14.99,1301 9.99,1302 8.192,1303 14.508,1304 10.375,1305 15.573,1306 0.278,1307 0.145,1308 13.615,1309 8.125,1310 12.769,1311 0.168,1312 0.079,1313 11.807,1314 5.98,1315 11.081,1316 0.107,1317 0.042,1318 10.563,1319 4.409,1320 9.049,1321 0.069,1322 0.023,1323 8.409,1324 2.984,1325 0.245,1326 99.537,1327 0.203,1328 30.697,1329 0.416,1330 186,1331 703.962,1332 214.695,1333 605.776,1334 807.05,1335 562,1336 225,1337 582.749,1338 248.127,1339 574.676,1340 866,1341 539,1342 5.496}
{0 CHEMBL2205766,1 1.793,2 9.417,3 1.184,4 1.403,5 92.917,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.983,13 3.358,14 4.382,15 4.55,16 3.996,17 3.772,18 5.757,19 3.74,20 4.599,21 4.773,22 4.011,23 3.941,24 5.784,25 3.851,26 4.786,27 5.035,28 3.935,29 3.915,30 5.974,31 3.802,32 4.555,33 4.732,34 3.755,35 3.73,36 5.891,37 3.678,38 4.409,39 4.605,40 3.674,41 3.679,42 5.595,43 3.583,44 4.465,45 4.727,46 3.582,47 3.534,48 5.574,49 3.452,50 4.14,51 4.331,52 3.453,53 3.376,54 5.438,55 3.285,56 0.14,57 0.713,58 10.59,59 3.7,60 19.014,61 4.451,62 0.428,63 1.085,64 17.255,65 6.268,66 61.24,67 7.902,68 0.369,69 1.284,70 22.996,71 7.869,72 40.246,73 9.497,74 0.631,75 1.264,76 39.369,77 11.063,78 83.669,79 13.55,80 0.599,81 1.031,82 22.412,83 6.971,84 104.184,85 8.052,86 0.288,87 1.007,88 18.874,89 6.69,90 31.617,91 8.488,92 0.458,93 0.933,94 23.478,95 5.923,96 58.252,97 8.491,98 0.408,99 0.745,100 13.471,101 4.631,102 39.779,103 6.219,104 40,105 40,106 0.312,107 0.663,108 0.755,109 0.783,110 0.783,111 0.783,112 3.229,113 1.008,114 -2.85,115 -2.86,116 -2.77,118 35.7,119 3,128 1,138 3,139 2,140 1,141 2,146 1,147 1,154 1,156 1,157 1,158 1,159 1,163 4,166 3,167 4,169 2,170 4,172 3,173 7,177 8,179 1,180 1,182 1,184 2,187 2,188 14,191 1,193 2,197 1,200 5,205 3,208 3,211 2,212 2,213 8,218 3,221 3,223 1,224 1,230 1,233 3,235 1,236 4,239 1,240 3,245 6,248 2,252 1,260 762,261 15.091,262 15.091,263 15.091,264 15.091,265 15.091,266 13.005,267 10.781,268 8.506,269 15.533,270 12.875,271 12.875,272 12.875,273 12.875,274 12.875,275 9.617,276 11.314,277 4.082,278 13.604,279 3.599,280 1.579,281 1.049,282 0.888,283 0.888,284 0.888,285 3.898,288 1,289 1,290 475,291 4,293 56.166,294 138.836,297 96.253,301 1.5,302 31.51,305 1,306 1,307 1,308 0.8,310 1,311 1,312 0.83,313 53,314 226,315 4.877,316 4.691,317 7.356,318 4.395,319 3.464,320 4.714,322 12.767,323 3.217,324 4.503,325 3.18,326 6.362,327 4.01,328 3.05,329 4.444,331 9.806,332 2.941,333 4.119,334 3.052,335 6.312,336 3.904,337 2.951,338 3.69,340 9.639,341 2.786,342 3.991,343 2.716,344 6.032,345 3.652,346 2.683,347 3.054,349 8.715,350 2.58,351 3.454,352 2.077,353 4.899,354 2.942,355 2,356 2.851,358 5.546,359 1.891,360 3.21,361 1.799,362 4.784,363 2.711,364 1.765,365 2.488,367 5.094,368 1.66,369 3.013,370 1.521,371 4.452,372 2.475,373 1.518,374 2.262,376 4.343,377 1.45,378 2.733,379 1.329,380 4.222,381 2.215,382 1.236,383 1.825,385 3.528,386 1.206,387 2.579,388 1.101,389 3.498,390 2.024,391 1.083,392 1.614,394 2.497,395 1.016,396 1.903,397 0.412,398 3.278,399 1.378,400 0.41,401 0.61,403 1.08,404 0.396,405 1,406 0.206,407 3.161,408 0.638,409 -0.324,410 -0.358,411 -1.098,412 -0.308,413 0.963,414 -0.28,415 2.687,416 0.523,417 -0.435,418 -0.574,419 -1.201,420 -0.415,421 0.861,422 -0.348,423 2.593,424 0.277,425 -0.652,426 -0.851,427 -1.628,428 -0.6,429 0.756,430 -0.604,431 2.209,432 0.161,433 -0.782,434 -1,435 -2.208,436 -0.725,437 0.657,438 -0.946,439 2,441 -1,442 -1,443 -2.705,444 -0.931,445 11.4,446 0.475,447 1.033,448 0.043,449 33.25,450 1.385,451 17.5,452 0.729,453 15.75,454 0.656,455 18.777,456 0.782,457 26.4,458 0.629,459 24.816,460 1.034,461 6.124,462 0.255,463 5.014,464 0.209,465 0.225,466 0.117,467 0.254,471 0.617,472 1.42,473 0.822,474 1.277,475 0.791,476 0.959,477 0.532,478 1.027,479 0.71,480 0.874,481 0.456,482 0.78,483 1.126,484 1.187,485 1.247,486 1.244,487 0.977,488 1.213,489 0.974,490 0.86,491 1.229,492 1.133,493 1.006,494 0.808,495 2.092,496 0.999,497 1.151,498 0.873,499 2.512,500 1.009,501 0.905,502 1.253,503 1.106,504 1.266,505 0.836,506 1.263,507 1.116,508 0.906,509 0.849,510 0.819,511 1.051,512 0.814,513 0.662,514 0.989,515 0.945,516 1.1,517 0.972,518 1.258,519 8.5,520 0.116,521 3.111,522 2.479,523 1.288,524 1.045,525 0.58,526 0.484,527 0.302,528 0.244,529 5877,530 18068,531 1.972,532 42.9,534 3,535 1,536 2,537 3,539 9,542 1.67,543 1.778,544 3.22,545 1.121,546 1,547 1,548 1,550 75.306,551 1.793,552 3.814,553 4.344,554 4.505,555 4.505,556 4.505,557 2.705,558 4.137,559 4.559,560 3.377,561 932.103,562 7.869,563 10740.9,564 1,565 1,568 226.477,569 1.825,570 4.459,571 0.327,572 0.011,573 0.078,574 0.069,575 0.036,576 0.035,577 0.021,578 0.02,579 0.015,580 0.015,581 0.627,582 0.33,583 1,584 1.264,585 113.18,586 0.078,587 -0.137,588 0.215,589 -0.083,590 -0.218,591 0.023,592 0.366,593 0.106,594 0.206,595 0.14,596 0.367,597 0.175,598 -0.222,599 -0.056,600 -0.213,601 -0.147,602 -0.141,603 -0.247,604 0.064,605 0.046,606 0.065,607 0.063,608 0.135,609 0.256,610 -0.515,611 -0.067,612 -0.245,613 0.058,614 -0.495,615 -0.093,616 -0.071,617 -0.208,618 -0.177,619 -0.253,620 -0.047,621 -0.278,622 -0.1,623 -0.008,624 0.116,625 0.088,626 -0.063,627 0.159,628 0.333,629 0.049,630 -0.097,631 -0.179,632 0.038,633 -0.32,634 4.569,635 5.453,636 0.625,637 18.396,638 1.015,639 1.139,640 1.624,641 2.638,642 0.67,643 3.296,644 3.714,645 3.871,646 4.174,647 4.317,648 4.369,649 4.554,650 4.654,651 4.663,652 4.718,653 5.691,654 0.641,655 346.46,656 3.296,657 4.89,658 5.727,659 6.65,660 7.506,661 8.426,662 9.291,663 10.207,664 11.078,665 11.99,666 14.3,668 1,670 1,674 1,676 3,680 1,681 6,682 3,686 4,688 16,698 1,705 42,706 18,708 26,710 44,711 15,712 11,717 3,718 4,721 3,729 11,730 4,731 1,733 2,736 1,737 2,743 1,744 1,747 18,748 7,749 3,750 9,751 1,755 6,760 0.667,761 2,773 2,778 1,779 2,782 1,803 2,805 1,807 3,811 24,812 1,815 1,818 1,823 1,830 1,833 4.8,836 2,841 13.5,842 8.383,843 4.889,844 2.232,847 3.312,848 1.468,849 0.977,850 3.978,851 10.388,852 3.611,853 4.327,854 4.857,855 5.499,856 6.017,857 6.376,858 6.896,859 7.324,860 7.606,861 8.016,862 1,863 36,864 9.066,865 4.133,866 8,867 16.503,868 13.658,869 2.5,870 60,874 176.567,875 99.39,876 100.7,878 44.313,880 5.807,881 93.583,882 220.879,883 100.7,884 26.476,886 92.586,887 119.805,888 27.181,889 13.67,890 141.253,892 176.567,893 194.283,894 44.313,895 5.807,897 70.627,898 150.253,900 65.754,901 78.295,902 56.042,904 176.567,905 145.013,906 99.39,908 5.807,909 176.567,910 11.536,911 83.211,912 16.405,913 127.444,914 176.567,915 145.013,916 99.39,918 0.611,919 0.316,920 0.174,921 0.088,922 21,923 10,924 0.091,925 4,926 1,927 1.133,928 3.451,929 197.83,930 0.133,931 15,932 103.284,935 1,936 16.681,937 5.724,938 3.685,939 0.575,940 143.849,941 9.78,942 12.16,946 1.72,948 49.302,949 420.97,950 36,953 -3.653,954 24.906,960 42.643,961 47.82,962 0.333,963 0.707,964 0.806,965 0.835,966 0.835,967 0.835,968 4.89,969 1.236,970 5.826,971 4.343,972 4.394,973 5.014,975 6.73,976 4.29,977 6.194,978 1.083,979 7.456,980 3.528,981 4.443,982 5.255,984 8.089,985 4.278,986 7.584,987 0.41,988 9.198,989 2.497,990 6.184,991 7.42,993 11.054,994 5.965,995 9.01,996 -0.324,997 11.004,998 1.08,999 6.929,1000 8.393,1002 13.133,1003 6.64,1004 10.463,1005 -0.435,1006 12.85,1007 -1.098,1008 8.292,1009 10.152,1011 15.757,1012 7.949,1013 11.938,1014 -0.652,1015 14.723,1016 -1.201,1017 9.306,1018 11.438,1020 18.103,1021 8.889,1022 13.429,1023 -0.782,1024 16.615,1025 -1.628,1026 10.55,1027 13.051,1029 20.642,1030 10.073,1031 3.464,1032 -1,1033 18.524,1034 -2.208,1035 11.673,1036 14.474,1038 23.095,1039 11.121,1040 3.05,1041 12.767,1042 20.444,1043 -2.705,1044 12.883,1045 16.033,1047 25.62,1048 12.264,1049 2.951,1050 9.806,1051 22.375,1052 4.714,1053 14.054,1054 17.515,1056 28.12,1057 13.359,1058 2.683,1059 9.639,1060 24.314,1061 4.444,1062 15.258,1063 19.055,1065 30.648,1066 14.492,1067 2,1068 8.715,1069 26.26,1070 3.69,1071 16.452,1072 20.564,1074 33.171,1075 15.609,1076 1.765,1077 5.546,1078 28.213,1079 3.054,1080 17.66,1081 22.098,1083 35.705,1084 16.743,1085 1.518,1086 5.094,1087 30.171,1088 2.851,1089 18.868,1090 23.62,1092 38.239,1093 17.872,1094 5837,1095 10405,1096 16.296,1097 28.159,1098 41.07,1099 40.995,1100 41.019,1101 40.334,1102 40.321,1103 55.103,1105 126.03,1106 38.284,1107 5.723,1108 6.691,1109 6.898,1110 5.46,1111 5.464,1112 7.714,1114 20.458,1115 5.166,1116 14.957,1117 1.58,1118 1.577,1119 1.578,1120 1.551,1121 1.551,1122 2.119,1124 4.847,1125 1.472,1126 4.136,1127 4.174,1128 4.736,1129 4.071,1130 7.717,1131 4.02,1132 4.018,1133 4.02,1134 4.073,1135 3.884,1136 6.999,1137 3.861,1138 3.719,1139 3.779,1140 3.684,1141 3.573,1142 5.303,1143 3.573,1144 3.517,1145 3.523,1146 3.494,1147 3.395,1148 4.882,1149 3.352,1150 3.298,1151 3.358,1152 3.242,1153 3.099,1154 4.736,1155 3.111,1156 2.909,1157 3.009,1158 2.811,1159 2.749,1160 4.368,1161 2.75,1162 2.874,1163 3.009,1164 2.657,1165 2.618,1166 4.145,1167 2.57,1168 2.874,1169 2.982,1170 2.499,1171 2.618,1172 3.9,1173 2.57,1174 0.188,1175 0.18,1176 0.283,1177 0.169,1178 0.133,1179 4.877,1180 0.181,1181 4.691,1183 7.356,1184 0.491,1185 4.395,1186 0.124,1187 3.464,1188 4.714,1190 12.767,1191 3.217,1192 1.992,1193 1.983,1194 2.033,1195 2.1,1196 1.22,1197 2.104,1198 1.825,1199 1.809,1200 1.963,1201 1.982,1202 1.139,1203 1.997,1204 1.676,1205 1.618,1206 1.783,1207 1.847,1208 0.94,1209 1.857,1210 1.325,1211 1.325,1212 1.45,1213 1.649,1214 0.469,1215 1.602,1216 1.299,1217 1.232,1218 1.417,1219 1.488,1220 0.469,1221 1.523,1222 0.934,1223 0.819,1224 1.417,1225 1.239,1226 0.467,1227 1.308,1228 0.934,1229 0.804,1230 1.141,1231 1.239,1232 0.259,1233 1.308,1234 0.877,1235 0.804,1236 1.109,1237 1.108,1238 0.056,1239 1.091,1240 3.97,1242 5.361,1243 2.398,1244 6.915,1245 4.727,1246 8.542,1247 6.804,1248 10.21,1250 5.35,1254 5.576,1257 2.613,1262 -0.577,1267 26.906,1268 75.306,1269 160.174,1270 182.438,1271 189.193,1272 189.193,1273 189.193,1274 49.677,1275 7.077,1276 115.27,1277 123.65,1278 17,1279 12.512,1280 4.248,1281 3.459,1282 39.265,1283 82,1284 78,1285 0.239,1286 171.873,1287 281.89,1288 411.13,1289 10155,1291 17.535,1292 0.731,1293 0.599,1294 17.785,1295 14.372,1296 11.139,1297 0.428,1298 0.336,1299 7.262,1300 9.885,1301 6.832,1302 5.767,1303 11.96,1304 8.737,1305 12.019,1306 0.3,1307 0.203,1308 13.306,1309 8.135,1310 8.063,1311 0.172,1312 0.104,1313 9.24,1314 4.876,1315 7.397,1316 0.116,1317 0.057,1318 8.634,1319 3.67,1320 5.306,1321 0.072,1322 0.029,1323 6.019,1324 2.171,1325 0.37,1326 78.577,1327 0.248,1328 23.159,1329 0.672,1330 132,1331 410.557,1332 184.4,1333 422.745,1334 574.55,1335 386,1336 153,1337 409.396,1338 215.53,1339 452.304,1340 653.13,1341 419,1342 5}
{0 CHEMBL221959,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,118 37.2,119 1,120 2,121 1,123 1,124 2,126 1,138 1,139 1,143 1,144 1,147 1,151 2,154 1,163 3,166 3,167 8,170 1,172 2,173 1,176 1,177 6,187 3,188 3,191 2,195 2,199 2,200 5,208 4,213 4,218 1,221 3,224 3,225 5,228 1,230 2,233 1,237 2,245 1,248 2,249 2,252 1,254 1,260 709,261 15.56,262 15.56,263 15.56,264 15.56,265 15.56,266 14.091,267 16.291,268 9.16,269 15.944,270 12.26,271 12.26,272 12.26,273 12.26,274 12.26,275 9.988,276 21.804,277 4.2,278 12.86,279 3.859,280 1.738,281 0.5,282 0.407,283 0.407,284 0.407,285 3.866,287 1,288 1,289 1,290 426,291 3.317,293 47.145,294 133.048,297 88.881,301 1.361,302 22.725,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 50,314 200,315 4.557,316 4.093,317 6.803,318 4.155,319 3.205,320 4.474,321 2.65,322 11.145,323 3.046,324 4.076,325 3.667,326 6.327,327 3.883,328 2.919,329 3.218,330 1.749,331 9.527,332 2.813,333 3.838,334 3.345,335 5.963,336 3.58,337 2.613,338 3.056,339 0.8,340 8.302,341 2.528,342 3.477,343 2.888,344 5.451,345 3.125,346 2.176,347 2.619,348 0.547,349 6.657,350 2.054,351 3.365,352 2.381,353 4.576,354 2.508,355 1.554,356 2.321,358 4.315,359 1.481,360 3.048,361 2.038,362 4.211,363 2.485,364 1.543,365 1.92,367 3.807,368 1.46,369 2.703,370 1.614,371 4.104,372 2.479,373 1.52,374 1.708,376 3.61,377 1.437,378 2.521,379 1.547,380 3.659,381 1.947,382 1,383 1.5,385 2.362,386 0.945,387 2.5,388 1.512,389 3.396,390 1.868,391 0.917,392 1.283,394 2.222,395 0.869,396 2.103,397 1.046,398 3.069,399 1.839,400 0.848,401 1.031,403 1.399,404 0.831,405 1.723,406 1,407 2.957,408 1.323,409 0.392,410 0.523,411 0.97,412 0.364,413 1.18,414 0.458,415 2.508,416 0.849,417 -0.127,418 -0.135,419 -0.278,420 -0.123,421 0.963,422 0.157,423 2.291,424 0.419,425 -0.585,426 -0.785,427 -0.922,428 -0.552,429 0.772,430 -0.22,431 2.249,432 0.316,433 -0.614,434 -0.841,435 -1.49,436 -0.594,437 0.5,438 -0.501,439 1.95,440 0.112,441 -0.829,442 -1,443 -2.428,444 -0.78,445 10.733,446 0.467,447 0.559,448 0.024,449 29,450 1.261,451 13,452 0.565,453 16,454 0.696,455 19.759,456 0.859,457 25.267,458 0.588,459 19.773,460 0.86,461 5.462,462 0.237,463 5.651,464 0.246,465 0.161,467 0.354,471 0.785,472 1.683,473 0.793,474 1.281,475 0.477,476 1.069,477 0.81,478 1.013,479 0.86,480 0.91,481 0.488,482 0.885,483 1.057,484 1.244,485 1.01,486 1.144,487 0.839,488 1.079,489 1.012,490 0.926,491 1.059,492 1.027,493 0.787,494 1.054,495 0.811,496 0.904,497 0.977,498 0.993,499 0.721,500 1.012,501 0.939,502 0.99,503 1.011,504 1.021,505 0.943,506 1.02,507 1.186,508 0.907,509 1.136,510 1.024,511 1.404,512 1.08,513 0.98,514 0.917,515 0.952,516 0.928,517 0.899,518 0.923,519 4,520 0.041,521 3.333,522 1.75,523 1.217,524 0.903,525 0.469,526 0.359,527 0.131,528 0.091,529 5072,530 14465,531 2.041,532 46.5,533 3,534 9,535 1,536 1,537 1,538 2,539 3,542 1.662,543 1.89,544 3.116,545 -0.241,546 1,547 1,548 1,550 67.381,551 1.567,552 3.688,553 4.926,554 5.019,555 5.019,556 5.019,557 2.541,558 4.35,559 4.496,560 3.239,561 819.495,562 7.766,563 9094.07,565 1,568 233.329,569 1.478,570 4.443,571 0.16,572 0.007,573 0.095,574 0.047,575 0.035,576 0.029,577 0.016,578 0.015,579 0.008,580 0.008,581 0.42,582 0.5,583 1,584 1.226,585 105.892,586 -0.038,587 -0.402,588 0.063,589 -0.16,590 0.051,591 -0.052,592 0.09,593 0.131,594 0.072,595 0.099,596 0.039,597 0.086,598 -0.099,599 -0.183,600 -0.065,601 -0.131,602 -0.015,603 -0.098,604 0.006,605 0.061,606 -0.087,607 -0.041,608 0.074,609 -0.077,610 0.01,611 0.008,612 -0.006,613 0.009,614 -0.035,616 -0.091,617 -0.06,618 -0.036,619 -0.042,620 -0.079,621 -0.027,622 -0.041,623 0.02,624 -0.136,625 -0.062,626 -0.145,627 -0.115,628 -0.062,629 -0.056,630 0.059,631 0.002,632 0.016,633 0.052,634 1.757,635 5.035,636 0.652,637 16.253,638 1.003,639 1.142,640 1.775,641 3.15,642 0.647,643 3.258,644 3.584,645 3.892,646 4.143,647 4.317,648 4.382,649 4.454,650 4.5,651 4.431,652 4.443,653 5.258,654 0.617,655 312.42,656 3.258,657 4.796,658 5.659,659 6.544,660 7.427,661 8.318,662 9.208,663 10.101,664 10.994,665 11.889,666 14,672 1,673 1,674 1,675 1,676 2,680 2,681 3,682 2,683 1,686 1,688 10,701 1,705 43,706 12,708 25,710 45,711 16,712 6,717 3,718 4,721 1,724 2,725 1,727 3,728 1,729 7,730 8,731 1,733 1,737 1,740 1,743 1,744 1,747 20,748 6,749 1,750 7,755 6,760 0.667,761 1,774 1,775 1,778 1,779 2,782 1,788 1,791 1,803 2,807 2,811 23,817 4,821 2,822 2,825 1,829 1,831 1,833 2.3,836 1,841 12.167,842 8.333,843 5.167,844 2.635,847 2.176,848 1.315,849 0.951,850 4.495,851 9.091,852 3.526,853 4.047,854 4.606,855 5.172,856 5.559,857 5.842,858 6.175,859 6.484,860 6.31,861 6.53,862 0.833,863 37,864 8.495,865 3.583,866 7.819,867 16.252,868 13.401,869 2.319,870 53.333,874 223.651,875 81.567,876 87.665,878 25.145,881 81.567,882 248.796,883 87.665,884 17.222,885 12.405,886 18.524,887 93.509,888 62.161,889 14.099,890 200.109,892 223.651,893 169.231,894 25.145,897 188.338,898 60.458,900 79.409,901 56.252,902 33.571,904 223.651,905 112.809,906 81.567,909 223.651,910 20.601,911 50.612,912 33.387,913 89.775,914 223.651,915 112.809,916 81.567,918 0.578,919 0.355,920 0.194,921 0.099,922 17,923 8,924 0.067,925 3,926 1,927 1.133,928 3.412,929 186.366,930 0.133,931 15,932 104.042,936 15.766,937 6.557,938 3.02,939 1.783,940 96.024,941 5.369,942 8.656,943 3.094,946 0.864,948 16.786,949 418.027,950 33,954 12.035,957 -0.09,960 43.123,961 49.106,962 0.289,963 0.68,964 0.908,965 0.925,966 0.925,967 0.925,968 4.783,969 1,970 5.652,971 3.61,972 4.263,973 4.732,974 3.059,975 6.497,976 4.171,977 5.978,978 0.917,979 7.238,980 2.362,981 3.892,982 4.511,983 1.738,984 7.483,985 3.769,986 7.281,987 0.848,988 8.928,989 2.222,990 5.883,991 6.879,992 4.68,993 10.61,994 5.702,995 8.618,996 0.392,997 10.679,998 1.399,999 6.365,1000 7.584,1001 3.393,1002 12.417,1003 6.15,1004 9.988,1005 -0.127,1006 12.469,1007 0.97,1008 7.817,1009 9.418,1010 6.518,1011 15.061,1012 7.548,1013 11.383,1014 -0.585,1015 14.283,1016 -0.278,1017 8.668,1018 10.557,1019 5.294,1020 17.192,1021 8.358,1022 12.797,1023 -0.614,1024 16.115,1025 -0.922,1026 9.918,1027 12.188,1028 8.412,1029 19.673,1030 9.557,1031 3.205,1032 -0.829,1033 17.96,1034 -1.49,1035 10.929,1036 13.527,1037 7.317,1038 21.945,1039 10.524,1040 2.919,1041 11.145,1042 19.814,1043 -2.428,1044 12.105,1045 15.077,1046 10.325,1047 24.369,1048 11.648,1049 2.613,1050 9.527,1051 21.676,1052 4.474,1053 13.187,1054 16.505,1055 9.381,1056 26.705,1057 12.682,1058 2.176,1059 8.302,1060 23.545,1061 3.218,1062 14.337,1063 18.023,1064 12.246,1065 29.11,1066 13.781,1067 1.554,1068 6.657,1069 25.418,1070 3.056,1071 15.452,1072 19.49,1073 11.448,1074 31.479,1075 14.846,1076 1.543,1077 4.315,1078 27.295,1079 2.619,1080 16.596,1081 20.996,1082 14.171,1083 33.879,1084 15.938,1085 1.52,1086 3.807,1087 29.176,1088 2.321,1089 17.727,1090 22.481,1091 13.507,1092 36.264,1093 17.017,1094 5032,1095 8585,1096 16.414,1097 27.819,1098 38.783,1099 41.043,1100 39.434,1101 37.352,1102 37.373,1103 47.31,1104 11.491,1105 108.632,1106 35.657,1107 5.557,1108 6.093,1109 6.572,1110 5.236,1111 5.205,1112 7.474,1113 5.231,1114 18.665,1115 4.985,1116 11.679,1117 1.551,1118 1.642,1119 1.577,1120 1.494,1121 1.495,1122 1.892,1123 0.46,1124 4.345,1125 1.426,1126 4.1,1127 4.15,1128 4.064,1129 3.952,1130 7.428,1131 3.974,1132 3.895,1133 3.952,1134 3.8,1135 3.741,1136 6.817,1137 3.745,1138 3.595,1139 3.642,1140 3.517,1141 3.418,1142 5.122,1143 3.435,1144 3.408,1145 3.495,1146 3.296,1147 3.18,1148 4.498,1149 3.195,1150 3.22,1151 3.308,1152 3.103,1153 2.993,1154 4.354,1155 3.006,1156 3.213,1157 3.304,1158 3.067,1159 2.99,1160 4.065,1161 2.993,1162 3.001,1163 3.104,1164 2.761,1165 2.799,1166 3.811,1167 2.773,1168 2.844,1169 2.903,1170 2.703,1171 2.558,1172 3.731,1173 2.591,1174 0.182,1175 0.164,1176 0.272,1177 0.166,1178 0.128,1179 4.557,1180 0.179,1181 4.093,1182 0.106,1183 6.803,1184 0.446,1185 4.155,1186 0.122,1187 3.205,1188 4.474,1189 2.65,1190 11.145,1191 3.046,1192 1.902,1193 1.851,1194 2.07,1195 2.081,1196 1.441,1197 2.077,1198 1.773,1199 1.729,1200 1.856,1201 1.957,1202 0.99,1203 1.931,1204 1.53,1205 1.486,1206 1.709,1207 1.742,1208 0.847,1209 1.73,1210 1.466,1211 1.396,1212 1.641,1213 1.696,1214 0.804,1215 1.692,1216 1.289,1217 1.199,1218 1.601,1219 1.535,1220 0.679,1221 1.563,1222 1.196,1223 1.104,1224 1.534,1225 1.45,1226 0.604,1227 1.481,1228 1.036,1229 0.935,1230 1.421,1231 1.284,1232 0.593,1233 1.337,1234 0.869,1235 0.79,1236 1.09,1237 1.123,1238 0.256,1239 1.121,1240 3.932,1242 5.252,1243 2.398,1244 6.779,1245 4.595,1246 8.402,1247 6.605,1248 10.075,1250 4.205,1256 2.206,1260 0.606,1261 3.925,1265 8.739,1266 1.943,1267 26.531,1268 67.381,1269 158.574,1270 211.82,1271 215.82,1272 215.82,1273 215.82,1274 41.059,1275 6.915,1276 88.91,1277 88.91,1278 17,1279 12.415,1280 3.7,1281 3.17,1282 36.646,1283 71,1284 84,1285 0.255,1286 166.338,1287 282.79,1288 397.625,1289 8339,1291 16.397,1292 0.713,1293 0.581,1294 16.397,1295 13.359,1296 11.113,1297 0.445,1298 0.311,1299 7.64,1300 10.602,1301 7.414,1302 6.159,1303 11.113,1304 7.771,1305 9.789,1306 0.28,1307 0.173,1308 9.789,1309 6.056,1310 8.578,1311 0.179,1312 0.097,1313 8.578,1314 4.666,1315 7.119,1316 0.115,1317 0.053,1318 7.119,1319 3.256,1320 5.314,1321 0.072,1322 0.03,1323 5.314,1324 2.188,1325 0.387,1326 70.171,1327 0.247,1328 22.155,1329 0.736,1330 120,1331 352.294,1332 133.066,1333 343.07,1334 463.41,1335 320,1336 143,1337 336.58,1338 157.178,1339 341.037,1340 495.21,1341 319,1342 5}
{0 CHEMBL223360,1 1.634,2 11.429,3 4.169,4 17.383,5 107.914,6 8.162,7 0.71,8 3.95,9 4.077,10 3.584,11 3.517,12 5.182,13 3.516,14 4.409,15 4.555,16 3.957,17 3.901,18 5.658,19 3.881,20 4.647,21 4.824,22 4,23 4.007,24 5.876,25 3.969,26 4.721,27 4.936,28 3.93,29 3.963,30 5.904,31 3.912,32 4.667,33 4.882,34 3.863,35 3.86,36 6.017,37 3.812,38 4.591,39 4.828,40 3.641,41 3.733,42 5.779,43 3.668,44 4.397,45 4.639,46 3.447,47 3.569,48 5.514,49 3.493,50 4.231,51 4.463,52 3.433,53 3.458,54 5.408,55 3.397,56 0.108,57 0.782,58 7.914,59 3.697,60 11.726,61 4.413,62 0.223,63 1.204,64 13.556,65 6.439,66 22.404,67 8.066,68 0.344,69 1.489,70 19.254,71 7.879,72 40.825,73 9.722,74 0.337,75 1.507,76 23.161,77 8.716,78 48.52,79 11.124,80 0.537,81 1.362,82 22.441,83 7.743,84 80.827,85 10.011,86 0.435,87 1.257,88 22.255,89 7.478,90 67.431,91 9.409,92 0.323,93 1.008,94 18.15,95 6.136,96 46.423,97 8.048,98 0.256,99 0.927,100 15.067,101 5.878,102 32.921,103 7.568,104 17,105 44,106 0.276,107 0.606,108 0.745,109 0.86,110 0.877,111 0.877,112 3.374,113 0.84,114 -5.45,115 -5.33,116 -4.98,118 45.7,119 1,138 10,139 4,140 3,143 1,148 1,152 1,156 1,157 1,158 1,161 1,163 13,167 1,169 1,170 3,171 1,172 6,173 16,175 1,177 2,181 1,182 7,183 1,184 13,186 1,188 6,193 11,195 7,197 3,200 6,205 10,208 4,211 3,213 5,218 9,221 4,223 2,225 1,230 2,233 6,237 2,240 1,241 2,242 3,244 1,245 9,249 1,254 1,257 7,260 1148,261 18.809,262 18.809,263 18.809,264 18.809,265 18.809,266 15.963,267 17.267,268 10.95,269 19.05,270 15.292,271 15.292,272 15.292,273 15.292,274 15.292,275 11.074,276 22.095,277 5.201,278 15.696,279 3.889,280 1.931,281 1.103,282 0.424,283 0.321,284 0.321,285 4.07,288 1,289 1,290 700,291 3.082,293 65.692,294 273.275,297 123.126,301 1.939,302 29.165,304 1,305 0.75,306 1,307 1,308 0.6,310 1,311 1,312 0.76,313 61,314 320,315 4.661,316 3.575,317 6.879,318 4.209,319 3.223,320 4.621,321 1.656,322 11.471,323 3.18,324 4.252,325 3.24,326 6.094,327 3.851,328 2.89,329 3.891,330 0.247,331 8.874,332 2.77,333 4.074,334 3.12,335 5.886,336 3.656,337 2.677,338 3.693,340 8.159,341 2.619,342 3.76,343 2.672,344 5.452,345 3.402,346 2.427,347 3.118,349 7.243,350 2.359,351 3.492,352 2.42,353 4.956,354 3.11,355 2.126,356 2.805,358 5.769,359 2.085,360 3.362,361 2.347,362 4.932,363 2.94,364 1.963,365 2.703,367 5.421,368 1.902,369 3.342,370 1.983,371 4.804,372 2.87,373 1.911,374 2.608,376 5.315,377 1.83,378 2.967,379 1.801,380 4.459,381 2.486,382 1.507,383 2.173,385 4.198,386 1.473,387 2.805,388 1.535,389 4.109,390 2.347,391 1.365,392 1.914,394 3.599,395 1.33,396 2.631,397 1.185,398 3.817,399 2.138,400 1.157,401 1.692,403 2.803,404 1.132,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,411 2.275,412 1,413 2.174,414 0.794,415 3.327,416 1.703,417 0.721,418 1.031,419 1.751,420 0.706,421 1.536,422 0.764,423 3.006,424 1.209,425 0.288,426 0.342,427 0.673,428 0.26,429 1.337,430 0.578,431 2.605,432 0.978,433 0.009,434 0.011,435 0.022,436 0.009,437 1,438 0.219,439 2.391,440 0.655,441 -0.332,442 -0.412,443 -0.849,444 -0.324,445 13.119,446 0.469,447 0.75,448 0.027,449 40.75,450 1.455,451 23,452 0.821,453 17.75,454 0.634,455 18.905,456 0.675,457 28.881,458 0.628,459 31.015,460 1.108,461 8.341,462 0.298,463 5.167,464 0.185,465 0.116,467 0.381,470 1,471 0.717,472 0.909,473 0.729,474 0.816,475 0.639,476 0.77,477 0.502,478 1.016,479 0.71,480 1.005,481 0.516,482 0.932,483 0.951,484 1.066,485 1.02,486 1.089,487 0.93,488 1.075,489 1.056,490 1.148,491 1.011,492 1.107,493 0.99,494 1.058,495 0.972,496 0.955,497 1.028,498 1.025,499 0.951,500 1.031,501 1.381,502 1.015,503 1.167,504 0.97,505 1.412,506 1.008,507 1.091,508 0.88,509 1.067,510 0.899,511 1.064,512 0.956,513 0.921,514 0.98,515 0.846,516 0.985,517 0.97,518 0.93,519 6,520 0.127,521 3.333,522 2.222,523 1.559,524 0.847,525 0.532,526 0.339,527 0.207,528 0.208,529 10812,530 31589,531 2.094,532 39.1,533 3,534 10,537 5,542 1.705,543 1.953,544 3.45,545 2.467,547 1,550 75.177,551 1.634,552 3.593,553 4.421,554 5.099,555 5.203,556 5.203,557 2.833,558 4.28,559 4.783,560 3.697,561 1397.53,562 8.283,563 19134.4,565 1,567 1,568 254.084,569 1.432,570 4.736,571 0.194,572 0.006,573 0.076,574 0.051,575 0.039,576 0.024,577 0.018,578 0.014,579 0.009,580 0.01,581 0.44,582 0.17,583 0.88,584 0.573,585 142.488,586 -0.07,587 0.119,588 0.005,589 0.129,590 -0.107,591 0.099,592 0.173,593 -0.028,594 0.081,595 -0.026,596 0.084,597 -0.009,598 -0.045,599 -0.047,600 -0.138,601 -0.12,602 -0.059,603 -0.145,604 -0.099,605 -0.158,606 -0.043,607 -0.126,608 -0.048,609 -0.08,610 0.068,611 -0.046,612 -0.04,613 -0.074,614 0.141,615 -0.075,616 -0.216,617 -0.025,618 -0.122,619 0.005,620 -0.185,621 -0.024,622 -0.156,623 -0.021,624 -0.047,625 0.067,626 -0.117,627 0.043,628 0.092,629 0.034,630 0.175,631 0.036,632 0.047,633 0.099,634 2.182,635 5.783,636 0.75,637 26.857,638 1.012,639 1.129,640 4.218,641 17.792,642 0.69,643 3.466,644 3.807,645 4.078,646 4.357,647 4.554,648 4.533,649 4.635,650 4.771,651 4.762,652 4.852,653 7.166,654 0.672,655 375.44,656 3.466,657 5.017,658 5.872,659 6.758,660 7.629,661 8.516,662 9.393,663 10.281,664 11.162,665 12.051,666 10.9,670 1,673 2,674 1,676 1,680 2,681 10,682 1,683 1,686 7,688 22,698 1,704 1,705 46,706 23,707 3,708 31,710 49,711 21,712 19,713 8,714 10,717 4,718 5,720 1,721 1,729 20,730 1,733 1,737 1,740 1,744 1,745 1,747 18,748 6,749 5,750 7,755 5,760 0.75,761 1,771 1,778 1,779 3,782 1,803 3,807 1,809 1,811 28,812 1,818 2,832 1,833 2.2,836 1,841 14.333,842 8.426,843 6.056,844 2.525,847 4.156,848 1.543,849 1.046,850 4.82,851 11.808,852 3.784,853 4.446,854 5.059,855 5.692,856 6.224,857 6.466,858 6.88,859 7.326,860 7.533,861 7.893,862 1,863 44,864 10.322,865 4.475,866 7.935,867 19.23,868 15.741,869 2.435,870 68.167,873 1,874 153.024,875 139.1,876 102.245,878 25.145,879 14.96,881 139.1,882 178.169,883 117.205,884 8.825,885 36.022,886 127.66,887 41.808,888 43.427,889 23.708,890 153.024,892 153.024,893 241.344,894 40.105,897 167.984,898 25.145,900 61.51,901 163.172,902 16.663,904 167.984,905 127.39,906 139.1,909 153.024,910 35.512,911 103.588,912 52.685,913 89.665,914 153.024,915 142.35,916 139.1,918 0.588,919 0.344,920 0.19,921 0.104,922 22,923 10,924 0.061,925 3,926 1,927 1.095,928 4.019,929 241.433,930 0.095,931 21,932 130.606,936 18.169,937 7.428,938 3.771,939 1.715,940 125.687,941 17.643,942 4.049,943 2.896,946 3.414,948 85.582,949 434.474,950 43,954 12.167,957 -0.515,960 46.534,961 51.947,962 0.296,963 0.65,964 0.8,965 0.923,966 0.942,967 0.942,968 5.014,969 1.507,970 5.866,971 5.315,972 4.489,973 5.133,974 1.758,975 6.683,976 4.438,977 6.249,978 1.365,979 7.43,980 4.198,981 4.111,982 4.997,983 1.195,984 7.594,985 4.027,986 7.569,987 1.157,988 9.09,989 3.599,990 6.089,991 7.403,992 2.415,993 10.705,994 5.992,995 8.926,996 1,997 10.809,998 2.803,999 6.509,1000 8.091,1001 2.324,1002 12.482,1003 6.38,1004 10.312,1005 0.721,1006 12.567,1007 2.275,1008 7.973,1009 9.976,1010 3.244,1011 15.123,1012 7.835,1013 11.721,1014 0.288,1015 14.354,1016 1.751,1017 8.77,1018 11.075,1019 3.407,1020 17.278,1021 8.606,1022 13.15,1023 0.009,1024 16.164,1025 0.673,1026 10.03,1027 12.741,1028 4.156,1029 19.767,1030 9.856,1031 3.223,1032 -0.332,1033 17.991,1034 0.022,1035 11.01,1036 14.051,1037 4.464,1038 22.085,1039 10.815,1040 2.89,1041 11.471,1042 19.834,1043 -0.849,1044 12.19,1045 15.623,1046 5.111,1047 24.529,1048 11.984,1049 2.677,1050 8.874,1051 21.688,1052 4.621,1053 13.257,1054 17.039,1055 5.504,1056 26.914,1057 13.035,1058 2.427,1059 8.159,1060 23.554,1061 3.891,1062 14.409,1063 18.574,1064 6.091,1065 29.348,1066 14.176,1067 2.126,1068 7.243,1069 25.428,1070 3.693,1071 15.518,1072 20.043,1073 6.531,1074 31.763,1075 15.272,1076 1.963,1077 5.769,1078 27.31,1079 3.118,1080 16.664,1081 21.566,1082 7.083,1083 34.196,1084 16.408,1085 1.911,1086 5.421,1087 29.198,1088 2.805,1089 17.795,1090 23.062,1091 7.551,1092 36.623,1093 17.527,1094 10184,1095 17540,1096 20.69,1097 31.75,1098 47.051,1099 48.091,1100 48.466,1101 46.518,1102 46.524,1103 64.205,1104 3.806,1105 135.147,1106 45.305,1107 5.532,1108 5.575,1109 6.408,1110 5.253,1111 5.223,1112 7.621,1113 2.912,1114 18.697,1115 5.18,1116 13.914,1117 1.518,1118 1.551,1119 1.563,1120 1.501,1121 1.501,1122 2.071,1123 0.123,1124 4.36,1125 1.461,1126 4.134,1127 4.17,1128 4.103,1129 4.049,1130 8.201,1131 4.056,1132 3.946,1133 3.979,1134 3.9,1135 3.858,1136 7.431,1137 3.861,1138 3.851,1139 3.888,1140 3.796,1141 3.761,1142 5.248,1143 3.765,1144 3.449,1145 3.503,1146 3.394,1147 3.201,1148 4.796,1149 3.237,1150 3.356,1151 3.422,1152 3.266,1153 3.151,1154 4.688,1155 3.177,1156 3.176,1157 3.249,1158 3.048,1159 2.999,1160 4.648,1161 2.998,1162 3.027,1163 3.111,1164 2.933,1165 2.871,1166 4.321,1167 2.878,1168 2.865,1169 2.962,1170 2.723,1171 2.735,1172 4.023,1173 2.715,1174 0.15,1175 0.115,1176 0.222,1177 0.136,1178 0.104,1179 4.661,1180 0.149,1181 3.575,1182 0.053,1183 6.879,1184 0.37,1185 4.209,1186 0.103,1187 3.223,1188 4.621,1189 1.656,1190 11.471,1191 3.18,1192 2.013,1193 1.995,1194 2.089,1195 2.08,1196 1.241,1197 2.084,1198 1.906,1199 1.88,1200 2.014,1201 2.013,1202 1.122,1203 2.012,1204 1.785,1205 1.755,1206 1.895,1207 1.896,1208 0.989,1209 1.896,1210 1.356,1211 1.283,1212 1.534,1213 1.694,1214 0.589,1215 1.64,1216 1.292,1217 1.231,1218 1.484,1219 1.587,1220 0.408,1221 1.557,1222 1.146,1223 1.079,1224 1.365,1225 1.39,1226 0.311,1227 1.407,1228 1.039,1229 0.975,1230 1.249,1231 1.298,1232 0.273,1233 1.295,1234 0.897,1235 0.835,1236 1.181,1237 1.099,1238 0.218,1239 1.112,1240 4.143,1242 5.476,1243 2.398,1244 6.999,1245 4.727,1246 8.609,1247 6.823,1248 10.266,1250 1.828,1252 13.783,1254 5.968,1257 5.219,1267 30.893,1268 75.177,1269 165.281,1270 203.355,1271 234.574,1272 239.329,1273 239.329,1274 49.071,1275 7.652,1276 95.83,1277 95.83,1278 23,1279 12.583,1280 4.585,1281 3.7,1282 42.749,1283 124,1284 98,1285 0.17,1286 189.601,1287 319.64,1288 454.385,1289 23921,1290 2.2,1291 19.673,1292 0.703,1293 0.539,1294 18.803,1295 15.084,1296 13.508,1297 0.436,1298 0.28,1299 8.57,1300 13.033,1301 8.368,1302 6.971,1303 13.097,1304 8.682,1305 12.5,1306 0.284,1307 0.147,1308 11.982,1309 6.477,1310 10.363,1311 0.179,1312 0.077,1313 9.814,1314 4.441,1315 8.806,1316 0.114,1317 0.04,1318 8.653,1319 3.091,1320 7.23,1321 0.077,1322 0.022,1323 6.696,1324 2.037,1325 0.273,1326 84.505,1327 0.22,1328 27.066,1329 0.448,1330 150,1331 479.803,1332 164.843,1333 449.791,1334 612.41,1335 418,1336 177,1337 456.773,1338 191.021,1339 460.28,1340 669.85,1341 433,1342 5}
{0 CHEMBL230011,1 1.675,2 7.885,3 2.637,4 6.954,5 95.202,6 8.659,7 0.793,8 3.843,9 3.954,10 3.515,11 3.384,12 5.164,13 3.411,14 4.25,15 4.376,16 3.905,17 3.754,18 5.605,19 3.767,20 4.496,21 4.657,22 3.98,23 3.858,24 5.801,25 3.863,26 4.507,27 4.696,28 3.942,29 3.821,30 5.799,31 3.817,32 4.496,33 4.674,34 3.931,35 3.849,36 5.791,37 3.846,38 4.514,39 4.684,40 3.954,41 3.893,42 5.791,43 3.878,44 4.559,45 4.734,46 3.901,47 3.861,48 5.867,49 3.837,50 4.566,51 4.771,52 3.675,53 3.667,54 5.923,55 3.619,56 0.151,57 0.65,58 6.242,59 2.923,60 22.572,61 3.025,62 0.206,63 0.992,64 9.428,65 4.932,66 19.459,67 5.714,68 0.38,69 1.197,70 14.477,71 5.901,72 42.394,73 6.727,74 0.385,75 1.197,76 16.05,77 6.158,78 47.359,79 7.601,80 0.445,81 1.192,82 15.109,83 5.438,84 53.866,85 6.345,86 0.349,87 1.188,88 15.003,89 6.25,90 38.169,91 7.587,92 0.335,93 1.202,94 15.847,95 6.594,96 35.346,97 7.887,98 0.528,99 1.095,100 18.861,101 6.686,102 68.064,103 8.135,104 17,105 42,106 0.29,107 0.593,108 0.706,109 0.801,110 0.81,111 0.827,112 3.306,113 0.797,114 -3.67,115 -3.64,116 -3.47,118 45,138 8,139 2,140 2,142 3,143 1,145 1,146 1,156 2,157 2,158 2,163 8,166 2,167 2,169 3,170 3,172 4,173 8,176 3,177 6,179 1,180 1,182 4,184 5,187 1,188 7,190 3,191 3,192 1,193 2,194 2,195 4,198 1,200 8,202 1,203 3,205 1,208 6,211 1,213 8,216 2,218 6,221 6,223 4,225 5,228 1,230 10,233 5,235 6,237 3,240 2,241 1,242 7,244 1,245 2,247 5,249 1,252 1,253 3,254 5,256 2,257 1,259 3,260 968,261 17.394,262 17.394,263 17.394,264 17.394,265 17.394,266 14.631,267 10.638,268 10.119,269 17.75,270 14.347,271 14.347,272 14.347,273 14.347,274 14.347,275 10.22,276 9.826,277 4.859,278 14.991,279 3.647,280 1.9,281 1.25,282 0.7,283 0.65,284 0.55,285 4.001,287 1,288 1,289 1,290 444,291 2.236,294 260.282,298 105.77,301 1.142,302 32.774,304 1,305 0.75,306 0.83,307 0.83,308 0.3,310 0.67,311 0.5,312 0.55,313 57,314 205,315 4.649,316 3.248,317 6.774,318 4.196,319 3.234,320 4.578,322 11.176,323 3.116,324 4.297,325 2.941,326 6.389,327 3.854,328 2.895,329 3.974,331 9.753,332 2.771,333 4.054,334 2.762,335 5.838,336 3.636,337 2.654,338 3.67,340 8.121,341 2.605,342 3.737,343 2.534,344 5.176,345 3.282,346 2.329,347 3.237,349 6.384,350 2.213,351 3.499,352 2.232,353 5.075,354 3.033,355 2.109,356 2.888,358 5.993,359 1.951,360 3.423,361 2.164,362 5.002,363 2.969,364 2.03,365 2.787,367 5.823,368 1.895,369 3.269,370 1.989,371 4.888,372 2.826,373 1.889,374 2.538,376 5.438,377 1.761,378 2.868,379 1.492,380 4.383,381 2.382,382 1.411,383 2.03,385 3.928,386 1.365,387 2.697,388 1.285,389 3.972,390 2.215,391 1.236,392 1.786,394 3.058,395 1.208,396 2.571,397 1.091,398 3.484,399 2.068,400 1.08,401 1.606,403 2.53,404 1.066,405 2.459,406 1.031,407 3.472,408 1.935,409 1,410 1.441,411 2.497,412 0.932,413 1.461,414 0.159,415 3.09,416 1.02,417 0.087,418 0.116,419 0.245,420 0.081,421 1.126,422 -0.057,423 2.816,424 0.631,425 -0.302,426 -0.416,427 -0.804,428 -0.281,429 0.937,430 -0.057,431 2.555,432 0.527,433 -0.404,434 -0.51,435 -0.901,436 -0.37,437 0.92,438 -0.258,439 2.37,440 0.502,441 -0.42,442 -0.529,443 -1.023,444 -0.382,445 12.067,446 0.464,447 0.75,448 0.029,449 41.5,450 1.596,451 24,452 0.923,453 17.5,454 0.673,455 15.646,456 0.602,457 26.333,458 0.658,459 31.77,460 1.222,461 8.228,462 0.316,463 4.28,464 0.165,465 0.122,467 0.414,471 1.119,472 1.065,473 0.755,474 0.753,475 1.21,476 0.682,477 0.562,478 1.047,479 0.628,480 1.018,481 0.518,482 0.881,483 1.035,484 1.088,485 0.925,486 0.99,487 1,488 0.948,489 0.828,490 1.029,491 0.824,492 0.956,493 0.731,494 0.902,495 1.021,496 0.943,497 1.012,498 0.816,499 0.916,500 0.871,501 0.794,502 1.068,503 0.897,504 1.019,505 0.708,506 0.978,507 0.958,508 1.221,509 1.072,510 1.267,511 0.896,512 1.202,513 1.214,514 1.162,515 1.277,516 1.301,517 1.326,518 1.311,519 6,520 0.012,521 2.889,522 2,523 1.933,524 1.035,525 0.773,526 0.606,527 0.358,528 0.144,529 6983,530 22132,531 2.101,532 35,534 8,537 6,542 1.701,543 1.95,544 2.983,545 3.468,546 1,547 1,548 1,550 67.006,551 1.675,552 3.422,553 4.072,554 4.622,555 4.672,556 4.772,557 2.411,558 3.594,559 4.672,560 3.145,561 1022,562 8.154,563 12426.2,564 1,565 1,566 1,567 1,568 212.877,569 1.46,570 4.624,571 0.207,572 0.006,573 0.069,574 0.045,575 0.046,576 0.025,577 0.018,578 0.016,579 0.013,580 0.01,581 0.455,582 0.33,583 1,584 0.596,585 123.35,586 -0.263,587 0.048,588 -0.044,589 0.188,590 -0.341,591 0.139,592 0.154,593 0.046,594 0.108,595 -0.061,596 0.123,597 -0.014,598 -0.091,599 -0.037,600 -0.068,601 -0.051,602 -0.13,603 -0.062,604 0.035,605 -0.001,606 0.095,607 -0.006,608 0.064,609 0.038,610 -0.124,611 0.136,612 -0.139,613 0.102,614 -0.108,615 0.013,616 0.003,617 -0.043,618 -0.032,619 -0.048,620 0.022,621 -0.04,622 -0.078,623 -0.225,624 -0.173,625 -0.296,626 -0.018,627 -0.256,628 -0.045,629 -0.243,630 -0.23,631 -0.323,632 -0.068,633 -0.32,634 1.67,635 3.83,636 0.846,637 19.941,638 1.02,639 1.127,640 2.443,641 5.967,642 0.7,643 3.401,644 3.761,645 4.043,646 4.369,647 4.673,648 4.82,649 4.997,650 5.165,651 5.288,652 5.252,653 5.233,654 0.692,655 346.38,656 3.401,657 4.963,658 5.826,659 6.727,660 7.612,661 8.521,662 9.417,663 10.33,664 11.232,665 12.147,666 15,670 2,676 4,680 2,681 8,682 4,686 8,688 23,698 2,702 2,705 40,706 23,707 2,708 29,710 43,711 18,712 18,713 4,714 8,717 4,718 5,729 18,743 1,744 1,747 14,748 8,749 6,750 8,755 6,760 0.75,761 2,770 1,774 1,779 4,783 1,803 3,811 26,812 2,816 2,833 5,835 2,841 13.333,842 7.033,843 5.556,844 2.09,847 4.41,848 1.585,849 0.998,850 3.88,851 11.946,852 3.726,853 4.425,854 5.075,855 5.749,856 6.417,857 6.84,858 7.373,859 7.9,860 8.391,861 8.697,862 1,863 44,864 9.529,865 4.18,866 7.987,867 17.529,868 14.367,869 2.487,870 64.667,873 1,874 94.169,875 95.781,876 132.936,878 85.367,881 95.781,882 179.536,883 132.936,886 141.604,887 152.509,888 15.744,889 4.227,890 94.169,892 94.169,893 228.718,894 85.367,897 95.884,898 85.367,900 9.557,901 150.303,902 67.142,904 94.169,905 218.303,906 95.781,909 94.169,910 19.971,911 75.81,913 218.303,914 94.169,915 218.303,916 95.781,918 0.591,919 0.339,920 0.192,921 0.113,922 22,923 10,924 0.047,925 2,926 1,927 1.091,928 3.637,929 235.083,930 0.091,931 22,932 112.211,936 16.21,937 6.224,938 3.048,939 0.554,940 218.303,941 13.226,942 17.142,946 2.499,948 151.161,949 408.253,950 40.5,960 40.8,961 45.069,962 0.315,963 0.643,964 0.765,965 0.868,966 0.878,967 0.897,968 4.961,969 1.411,970 5.832,971 5.438,972 4.443,973 5.112,975 6.671,976 4.356,977 6.212,978 1.236,979 7.405,980 3.928,981 4.111,982 5.007,984 7.591,985 3.968,986 7.542,987 1.08,988 9.076,989 3.058,990 6.061,991 7.417,993 10.724,994 5.9,995 8.906,996 1,997 10.802,998 2.53,999 6.494,1000 8.089,1002 12.468,1003 6.282,1004 10.299,1005 0.087,1006 12.566,1007 2.497,1008 7.958,1009 9.993,1011 15.131,1012 7.727,1013 11.712,1014 -0.302,1015 14.356,1016 0.245,1017 8.76,1018 11.063,1020 17.239,1021 8.483,1022 13.143,1023 -0.404,1024 16.166,1025 -0.804,1026 10.025,1027 12.741,1029 19.729,1030 9.724,1031 3.234,1032 -0.42,1033 17.992,1034 -0.901,1035 11.008,1036 14.022,1038 21.999,1039 10.665,1040 2.895,1041 11.176,1042 19.831,1043 -1.023,1044 12.195,1045 15.597,1047 24.426,1048 11.822,1049 2.654,1050 9.753,1051 21.681,1052 4.578,1053 13.266,1054 16.989,1056 26.766,1057 12.853,1058 2.329,1059 8.121,1060 23.539,1061 3.974,1062 14.425,1063 18.52,1065 29.172,1066 13.978,1067 2.109,1068 6.384,1069 25.404,1070 3.67,1071 15.539,1072 19.969,1074 31.545,1075 15.053,1076 2.03,1077 5.993,1078 27.275,1079 3.237,1080 16.691,1081 21.483,1083 33.945,1084 16.17,1085 1.889,1086 5.823,1087 29.151,1088 2.888,1089 17.827,1090 22.963,1092 36.334,1093 17.267,1094 6705,1095 12062,1096 19.304,1097 27.989,1098 44.451,1099 43.771,1100 45.569,1101 43.99,1102 43.908,1103 61.301,1105 129.891,1106 41.928,1107 5.346,1108 5.248,1109 6.327,1110 5.279,1111 5.234,1112 7.578,1114 18.39,1115 5.116,1116 12.864,1117 1.533,1118 1.509,1119 1.571,1120 1.517,1121 1.514,1122 2.114,1124 4.479,1125 1.446,1126 4.091,1127 4.128,1128 4.075,1129 3.982,1130 6.473,1131 3.997,1132 3.852,1133 3.882,1134 3.805,1135 3.787,1136 6.468,1137 3.785,1138 3.845,1139 3.874,1140 3.793,1141 3.712,1142 5.34,1143 3.735,1144 3.378,1145 3.439,1146 3.336,1147 3.197,1148 4.99,1149 3.223,1150 3.104,1151 3.219,1152 3.003,1153 2.81,1154 4.887,1155 2.846,1156 2.946,1157 2.98,1158 2.846,1159 2.747,1160 4.591,1161 2.758,1162 2.936,1163 2.973,1164 2.819,1165 2.746,1166 4.555,1167 2.749,1168 2.872,1169 2.944,1170 2.757,1171 2.724,1172 4.15,1173 2.724,1174 0.16,1175 0.112,1176 0.234,1177 0.145,1178 0.112,1179 4.649,1180 0.158,1181 3.248,1183 6.774,1184 0.385,1185 4.196,1186 0.107,1187 3.234,1188 4.578,1190 11.176,1191 3.116,1192 2.008,1193 1.982,1194 2.064,1195 2.14,1196 1.164,1197 2.112,1198 1.847,1199 1.826,1200 1.957,1201 1.939,1202 1.03,1203 1.943,1204 1.786,1205 1.749,1206 1.845,1207 1.937,1208 0.844,1209 1.923,1210 1.286,1211 1.239,1212 1.397,1213 1.52,1214 0.407,1215 1.488,1216 0.989,1217 0.892,1218 1.263,1219 1.373,1220 0.185,1221 1.352,1222 0.883,1223 0.84,1224 1.142,1225 1.146,1226 0.144,1227 1.132,1228 0.883,1229 0.839,1230 1.138,1231 1.142,1232 0.106,1233 1.131,1234 0.845,1235 0.792,1236 1.059,1237 1.062,1239 1.071,1240 4.078,1242 5.425,1244 6.973,1246 8.617,1248 10.312,1254 11.587,1255 19.658,1267 27.665,1268 67.006,1269 136.877,1270 162.877,1271 184.877,1272 186.877,1273 190.877,1274 42.163,1275 7.536,1276 144.06,1277 144.06,1278 24,1279 12.661,1280 4.585,1281 3.644,1282 37.551,1283 80,1284 74,1285 0.231,1286 170.416,1287 281.46,1288 407.575,1289 17492,1291 18.259,1292 0.702,1293 0.518,1294 18.259,1295 13.457,1296 12.508,1297 0.431,1298 0.266,1299 7.597,1300 12.051,1301 7.471,1302 6.185,1303 12.508,1304 7.706,1305 11.841,1306 0.282,1307 0.135,1308 11.841,1309 5.661,1310 9.65,1311 0.172,1312 0.068,1313 9.65,1314 3.815,1315 8.595,1316 0.11,1317 0.035,1318 8.595,1319 2.695,1320 7.121,1321 0.067,1322 0.017,1323 7.121,1324 1.843,1325 0.345,1326 78.413,1327 0.228,1328 24.278,1329 0.696,1330 142,1331 433.504,1332 156.754,1333 431.088,1334 596.14,1335 400,1336 169,1337 455.018,1338 183.285,1339 462.753,1340 679.33,1341 436,1342 5}
{0 CHEMBL230685,1 1.439,2 15.313,3 6.008,4 36.1,5 128.924,6 7.213,7 0.639,8 4.175,9 4.299,10 3.733,11 3.739,12 5.22,13 3.71,14 4.712,15 4.891,16 4.067,17 4.125,18 5.698,19 4.073,20 4.956,21 5.18,22 4.068,23 4.229,24 5.881,25 4.138,26 4.94,27 5.189,28 3.962,29 4.162,30 5.816,31 4.055,32 4.893,33 5.138,34 3.945,35 4.091,36 5.819,37 3.997,38 4.804,39 5.05,40 3.854,41 4.012,42 5.742,43 3.929,44 4.684,45 4.914,46 3.796,47 3.987,48 5.627,49 3.888,50 4.662,51 4.897,52 3.629,53 3.928,54 5.548,55 3.793,56 0.064,57 0.884,58 12.423,59 5.322,60 9.866,61 7.187,62 0.232,63 1.439,64 23.209,65 8.887,66 22.693,67 12.23,68 0.374,69 1.729,70 31.491,71 11.305,72 35.408,73 15.98,74 0.242,75 1.658,76 31.571,77 11.391,78 32.407,79 16.429,80 0.316,81 1.581,82 30.358,83 10.416,84 37.983,85 15.022,86 0.34,87 1.481,88 27.924,89 8.68,90 38.054,91 12.627,92 0.287,93 1.332,94 23.763,95 8.572,96 30.009,97 12.447,98 0.217,99 1.265,100 23.233,101 9.046,102 26.967,103 12.955,104 2,105 49,106 0.231,107 0.544,108 0.714,109 0.816,110 0.824,111 0.824,112 3.502,113 0.931,114 -5.33,115 -5.21,116 -4.87,118 44.1,119 1,120 2,124 4,138 11,139 3,140 2,142 2,146 1,159 1,163 14,166 1,167 6,170 2,172 2,173 15,176 2,177 8,180 1,182 2,184 14,188 10,193 1,195 9,200 16,203 1,205 3,208 6,213 10,218 1,221 5,224 2,225 5,230 1,233 13,236 1,237 2,240 1,242 2,245 12,249 1,254 2,257 4,260 1914,261 22.239,262 22.239,263 22.239,264 22.239,265 22.239,266 19.543,267 23.633,268 13.406,269 22.686,270 17.842,271 17.842,272 17.842,273 17.842,274 17.842,275 13.832,276 32.864,277 6.461,278 18.573,279 4.444,280 2.499,281 1.442,282 0.805,283 0.759,284 0.759,285 4.216,289 1,290 1093,291 2.915,293 105.649,294 399.914,298 153.793,301 2.602,302 16.998,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 67.5,314 490,315 4.569,316 3.17,317 6.539,318 4.099,319 3.121,320 4.511,321 0.86,322 10.328,323 3.058,324 4.12,325 2.954,326 6.077,327 3.724,328 2.753,329 3.714,330 0.8,331 8.823,332 2.68,333 4.039,334 2.84,335 5.596,336 3.624,337 2.654,338 3.637,339 0.4,340 7.702,341 2.565,342 3.699,343 2.752,344 5.363,345 3.468,346 2.54,347 3.115,349 7.025,350 2.355,351 3.541,352 2.613,353 5.301,354 3.289,355 2.358,356 2.812,358 6.853,359 2.188,360 3.436,361 2.206,362 5.067,363 3.009,364 2.045,365 2.707,367 5.849,368 1.969,369 3.354,370 2.023,371 4.923,372 2.885,373 1.924,374 2.549,376 5.707,377 1.849,378 3.223,379 1.784,380 4.515,381 2.751,382 1.767,383 2.516,385 4.572,386 1.727,387 2.668,388 1.611,389 3.757,390 2.381,391 1.414,392 1.749,394 3.012,395 1.361,396 2.5,397 1.213,398 3.609,399 2.172,400 1.186,401 1.5,403 2.879,404 1.169,405 2.5,406 1.199,407 3.464,408 2,409 1,410 1.5,411 2.341,412 1,413 2.45,414 1,415 3.414,416 2,417 1,418 1.449,419 2.275,420 1,421 2.396,422 1,423 3.247,424 1.91,425 0.951,426 1.351,427 2.136,428 0.909,429 1.995,430 0.998,431 3.225,432 1.861,433 0.927,434 0.977,435 2.072,436 0.858,437 1.618,438 0.744,439 3.007,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 15.333,446 0.479,447 0.602,448 0.019,449 43.75,450 1.367,451 23,452 0.719,453 20.75,454 0.648,455 25.103,456 0.784,457 33.267,458 0.564,459 31.334,460 0.979,461 8.504,462 0.266,463 7.238,464 0.226,465 0.033,467 0.287,471 0.826,472 1.238,473 0.8,474 1.064,475 0.779,476 0.952,477 1.096,478 1.07,479 0.924,480 0.998,481 0.762,482 0.954,483 1.184,484 1.019,485 1.03,486 0.993,487 0.964,488 0.998,489 1.031,490 1.085,491 0.936,492 1,493 1.026,494 0.965,495 1.229,496 1.11,497 0.942,498 0.961,499 1.122,500 0.931,501 1.669,502 0.943,503 1.073,504 0.791,505 1.515,506 0.849,507 0.834,508 0.99,509 1.004,510 0.967,511 0.949,512 0.989,513 0.678,514 1.098,515 1.098,516 1.195,517 0.984,518 1.192,519 5.5,520 0.111,521 2.667,522 1.347,523 1.556,524 0.83,525 0.633,526 0.344,527 0.221,528 0.2,529 17947,530 38058,531 2.194,532 45.8,533 3,534 19,537 1,539 4,542 1.737,543 2.133,544 3.855,545 -0.403,550 84.873,551 1.439,552 3.383,553 4.441,554 5.077,555 5.124,556 5.124,557 3.367,558 4.539,559 4.964,560 4.068,561 2017.66,562 8.643,563 31502.6,568 347.076,569 1.043,570 4.964,571 0.153,572 0.005,573 0.054,574 0.029,575 0.037,576 0.02,577 0.017,578 0.01,579 0.008,580 0.009,581 0.341,582 0.17,583 0.88,584 0.313,585 172.933,586 0.079,587 -0.09,588 0.077,589 -0.043,590 0.071,591 0.006,592 0.049,593 0.02,594 0.018,595 -0.014,596 0.177,597 -0.007,598 0.01,599 0.003,600 -0.046,601 -0.023,602 0.092,603 -0.04,604 -0.028,605 -0.108,606 0.053,607 -0.02,608 0.031,609 0.018,610 0.008,611 -0.122,612 0.067,614 0.086,615 0.031,616 -0.272,617 0.103,618 -0.051,619 0.132,620 -0.201,621 0.077,622 0.085,623 0.049,624 -0.04,625 0.005,626 0.076,627 -0.022,628 0.096,629 -0.111,630 -0.145,631 -0.195,632 -0.065,633 -0.197,634 1.184,635 2.381,636 0.844,637 45.152,638 0.992,639 1.123,640 4.099,641 16.801,642 0.676,643 3.611,644 3.912,645 4.174,646 4.431,647 4.654,648 4.71,649 4.89,650 5.024,651 5.176,652 5.252,653 8.776,654 0.638,655 425.58,656 3.611,657 5.142,658 5.984,659 6.847,660 7.703,661 8.571,662 9.435,663 10.306,664 11.175,665 12.05,666 8.5,669 1,674 1,676 3,679 1,680 2,681 11,682 3,686 6,688 23,699 1,703 1,705 59,706 23,707 3,708 36,710 63,711 26,712 19,713 7,714 11,717 5,718 6,721 1,724 2,727 2,729 19,730 7,747 27,748 6,749 1,750 6,755 5,760 0.8,761 1,776 1,778 1,779 4,783 1,800 1,803 4,807 1,811 32,817 6,818 1,819 1,822 1,833 1.7,838 1,841 15,842 10.883,843 7,844 3.727,847 4.261,848 1.518,849 1.017,850 6.176,851 12.493,852 3.882,853 4.483,854 5.078,855 5.683,856 6.3,857 6.599,858 7.106,859 7.584,860 8.065,861 8.387,862 1,863 47,864 11.807,865 4.966,866 7.479,867 23.187,868 19.176,869 1.979,870 63.333,874 306.049,875 152.787,876 71.247,878 11,881 152.787,882 317.049,883 71.247,884 8.825,885 15.979,886 104.239,887 50.112,888 53.98,889 1.899,890 306.049,892 306.049,893 224.033,894 11,897 258.964,898 58.084,900 52.126,901 121.796,902 50.112,904 306.049,905 82.246,906 152.787,909 306.049,910 39.723,911 116.188,912 18.011,913 61.111,914 306.049,915 82.246,916 152.787,918 0.574,919 0.331,920 0.18,921 0.096,922 24,923 9,924 0.111,925 7,926 1,927 1.074,928 4.625,929 285.104,930 0.074,931 27,932 145.245,936 20.718,937 9.539,938 5.025,939 1.639,940 82.246,941 22.356,942 13.4,946 5.599,948 18.011,949 541.082,950 47.5,960 58.556,961 66.268,962 0.245,963 0.575,964 0.755,965 0.863,966 0.871,967 0.871,968 5.098,969 1.767,970 5.938,971 5.707,972 4.595,973 5.17,974 1.324,975 6.698,976 4.52,977 6.283,978 1.414,979 7.456,980 4.572,981 4.007,982 4.856,983 0.325,984 7.455,985 3.887,986 7.572,987 1.186,988 9.072,989 3.012,990 6.138,991 7.371,992 0.958,993 10.55,994 5.992,995 8.897,996 1,997 10.747,998 2.879,999 6.399,1000 7.921,1001 0.268,1002 12.159,1003 6.217,1004 10.255,1005 1,1006 12.461,1007 2.341,1008 7.939,1009 9.877,1010 0.736,1011 14.743,1012 7.737,1013 11.636,1014 0.951,1015 14.203,1016 2.275,1017 8.611,1018 10.866,1019 0.188,1020 16.727,1021 8.382,1022 13.037,1023 0.927,1024 15.964,1025 2.136,1026 9.897,1027 12.571,1028 0.57,1029 19.134,1030 9.651,1031 3.121,1032 0.618,1033 17.742,1034 2.072,1035 10.781,1036 13.801,1037 0.125,1038 21.295,1039 10.516,1040 2.753,1041 10.328,1042 19.531,1043 1.372,1044 11.956,1045 15.387,1046 0.439,1047 23.64,1048 11.675,1049 2.654,1050 8.823,1051 21.332,1052 4.511,1053 12.95,1054 16.748,1055 0.082,1056 25.885,1057 12.653,1058 2.54,1059 7.702,1060 23.142,1061 3.714,1062 14.08,1063 18.281,1064 0.334,1065 28.211,1066 13.769,1067 2.358,1068 7.025,1069 24.959,1070 3.637,1071 15.133,1072 19.709,1073 0.054,1074 30.497,1075 14.806,1076 2.045,1077 6.853,1078 26.783,1079 3.115,1080 16.248,1081 21.22,1082 0.252,1083 32.819,1084 15.907,1085 1.924,1086 5.849,1087 28.614,1088 2.812,1089 17.332,1090 22.684,1091 0.035,1092 35.126,1093 16.976,1094 16380,1095 24095,1096 25.137,1097 39.858,1098 53.146,1099 53.5,1100 53.093,1101 53.18,1102 53.124,1103 70.143,1104 4.12,1105 147.439,1106 51.146,1107 5.528,1108 5.17,1109 6.341,1110 5.185,1111 5.121,1112 7.511,1113 1.72,1114 17.222,1115 5.058,1116 7.395,1117 1.476,1118 1.486,1119 1.475,1120 1.477,1121 1.476,1122 1.948,1123 0.114,1124 4.096,1125 1.421,1126 4.094,1127 4.128,1128 4.063,1129 4.014,1130 5.168,1131 4.02,1132 3.917,1133 3.954,1134 3.855,1135 3.828,1136 4.848,1137 3.83,1138 3.85,1139 3.907,1140 3.772,1141 3.749,1142 4.768,1143 3.75,1144 3.817,1145 3.856,1146 3.708,1147 3.677,1148 4.453,1149 3.675,1150 3.446,1151 3.507,1152 3.37,1153 3.233,1154 4.38,1155 3.258,1156 3.363,1157 3.433,1158 3.215,1159 3.172,1160 4.263,1161 3.176,1162 3.19,1163 3.261,1164 3.047,1165 3.059,1166 4.122,1167 3.045,1168 2.976,1169 3.035,1170 2.885,1171 2.816,1172 3.785,1173 2.827,1174 0.127,1175 0.088,1176 0.182,1177 0.114,1178 0.087,1179 4.569,1180 0.125,1181 3.17,1182 0.024,1183 6.539,1184 0.287,1185 4.099,1186 0.085,1187 3.121,1188 4.511,1189 0.86,1190 10.328,1191 3.058,1192 2.039,1193 2.015,1194 2.112,1195 2.139,1196 1.245,1197 2.127,1198 1.885,1199 1.859,1200 1.992,1201 1.997,1202 1.211,1203 1.997,1204 1.816,1205 1.785,1206 1.934,1207 1.921,1208 1.152,1209 1.927,1210 1.591,1211 1.517,1212 1.86,1213 1.828,1214 1.056,1215 1.833,1216 1.577,1217 1.507,1218 1.826,1219 1.751,1220 1.006,1221 1.793,1222 1.332,1223 1.266,1224 1.556,1225 1.578,1226 0.787,1227 1.568,1228 1.209,1229 1.143,1230 1.509,1231 1.446,1232 0.607,1233 1.468,1234 1.172,1235 1.101,1236 1.375,1237 1.376,1238 0.376,1239 1.401,1240 4.29,1242 5.595,1243 2.398,1244 7.091,1245 4.443,1246 8.676,1247 6.26,1248 10.311,1250 2.057,1256 6.703,1257 3.249,1258 5.881,1261 2.449,1267 37.617,1268 84.873,1269 199.61,1270 262.003,1271 299.566,1272 302.321,1273 302.321,1274 39.417,1275 8.232,1276 63.17,1277 63.17,1278 29,1279 12.591,1280 4.585,1281 3.644,1282 46.191,1283 168,1284 166,1285 0.131,1286 228.971,1287 387.71,1288 550.449,1289 50998,1291 21.753,1292 0.68,1293 0.572,1294 21.753,1295 18.291,1296 15.742,1297 0.437,1298 0.31,1299 11.048,1300 15.249,1301 10.788,1302 8.95,1303 15.742,1304 11.173,1305 13.914,1306 0.284,1307 0.168,1308 13.914,1309 8.209,1310 11.817,1311 0.185,1312 0.091,1313 11.817,1314 5.843,1315 9.912,1316 0.119,1317 0.05,1318 9.912,1319 4.125,1320 7.967,1321 0.077,1322 0.024,1323 7.967,1324 2.524,1325 0.215,1326 97.699,1327 0.199,1328 30.915,1329 0.334,1330 170,1331 432.649,1332 183.34,1333 426.426,1334 603.68,1335 404,1336 198,1337 464.1,1338 212.202,1339 471.164,1340 686.91,1341 445,1342 6.959}
{0 CHEMBL230686,1 1.613,2 15.529,3 7.337,4 53.833,5 138.534,6 8.381,7 0.605,8 4.185,9 4.298,10 3.862,11 3.779,12 5.258,13 3.75,14 4.724,15 4.89,16 4.247,17 4.179,18 5.758,19 4.128,20 4.974,21 5.177,22 4.332,23 4.31,24 5.972,25 4.221,26 4.964,27 5.185,28 4.369,29 4.268,30 5.968,31 4.162,32 4.916,33 5.134,34 4.168,35 4.177,36 5.918,37 4.079,38 4.82,39 5.048,40 4.18,41 4.09,42 5.85,43 4.015,44 4.714,45 4.909,46 4.083,47 4.06,48 5.807,49 3.963,50 4.668,51 4.896,52 3.771,53 3.961,54 5.581,55 3.829,56 0.048,57 0.861,58 10.17,59 5.097,60 7.952,61 6.552,62 0.227,63 1.408,64 21.566,65 8.915,66 21.387,67 11.525,68 0.419,69 1.683,70 34.125,71 11.958,72 37.181,73 15.557,74 0.366,75 1.608,76 40.387,77 12.467,78 45.081,79 16.363,80 0.421,81 1.533,82 37.459,83 11.519,84 44.923,85 14.952,86 0.452,87 1.444,88 30.361,89 9.349,90 42.351,91 12.289,92 0.496,93 1.268,94 31.096,95 9.115,96 46.405,97 12.126,98 0.221,99 1.256,100 22.616,101 9.232,102 26.744,103 12.712,104 10,105 53,106 0.259,107 0.585,108 0.748,109 0.824,110 0.824,111 0.824,112 3.56,113 0.958,114 -6,115 -5.85,116 -5.44,118 44.1,119 1,120 2,124 4,138 9,139 3,140 4,142 2,146 1,159 1,163 10,166 1,167 6,170 2,172 2,173 14,176 2,177 8,180 1,182 2,184 12,188 10,193 1,195 14,200 14,203 1,205 3,208 6,213 8,218 1,221 7,224 2,225 9,230 1,233 13,236 1,237 2,240 1,245 12,249 1,254 4,257 4,260 2202,261 23.239,262 23.239,263 23.239,264 23.239,265 23.239,266 20.438,267 26.835,268 13.736,269 23.906,270 18.782,271 18.782,272 18.782,273 18.782,274 18.782,275 14.613,276 34.787,277 6.563,278 19.976,279 4.27,280 2.244,281 1.234,282 0.759,283 0.759,284 0.759,285 4.269,286 2,289 1,290 1167,291 3.082,293 112.717,294 424.343,298 161.851,301 2.678,302 24.914,305 0.75,306 0.67,307 1,308 0.8,309 0.5,310 1,311 1,312 0.82,313 72.167,314 528,315 4.605,316 3.397,317 6.749,318 4.157,319 3.19,320 4.526,321 0.86,322 10.965,323 3.083,324 4.365,325 3.108,326 6.459,327 3.9,328 2.957,329 4.074,330 0.8,331 9.979,332 2.767,333 4.059,334 2.949,335 5.6,336 3.646,337 2.689,338 3.652,339 0.4,340 7.728,341 2.572,342 3.735,343 2.83,344 5.364,345 3.469,346 2.543,347 3.175,349 7.03,350 2.355,351 3.544,352 2.673,353 5.309,354 3.309,355 2.382,356 2.812,358 6.877,359 2.199,360 3.45,361 2.623,362 5.127,363 3.031,364 2.078,365 2.779,367 6.066,368 1.973,369 3.411,370 2.244,371 5.067,372 2.96,373 1.986,374 2.577,376 5.801,377 1.911,378 3.267,379 2.139,380 4.9,381 2.809,382 1.879,383 2.524,385 5.562,386 1.753,387 3.232,388 1.972,389 4.841,390 2.707,391 1.861,392 2.481,394 5.104,395 1.441,396 2.722,397 1.612,398 3.93,399 2.381,400 1.414,401 1.828,403 3.038,404 1.361,405 2.5,406 1.318,407 3.648,408 2.221,409 1.24,410 1.5,411 3.008,412 1.204,413 2.451,414 1.207,415 3.609,416 2,417 1,418 1.449,419 2.446,420 1,421 2.426,422 1.1,423 3.414,424 1.937,425 0.982,426 1.395,427 2.275,428 0.929,429 1.995,430 1,431 3.226,432 1.863,433 0.94,434 0.977,435 2.074,436 0.86,437 1.618,438 0.744,439 3.035,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 16.762,446 0.493,447 0.78,448 0.023,449 45.25,450 1.331,451 23,452 0.676,453 22.25,454 0.654,455 30.076,456 0.885,457 35.438,458 0.601,459 33.379,460 0.982,461 8.68,462 0.255,463 7.883,464 0.232,465 0.115,467 0.322,471 0.715,472 1.234,473 0.577,474 0.931,475 0.642,476 0.874,477 0.925,478 1.06,479 0.666,480 0.862,481 0.628,482 0.866,483 1.105,484 1.005,485 0.893,486 0.902,487 0.911,488 0.935,489 0.998,490 1.071,491 0.839,492 0.908,493 0.888,494 0.902,495 1.289,496 1.111,497 1.111,498 1.013,499 1.257,500 0.979,501 1.275,502 0.941,503 0.781,504 0.704,505 1.071,506 0.76,507 0.867,508 1.034,509 1.235,510 1.17,511 0.989,512 1.108,513 0.555,514 1.102,515 0.7,516 1.075,517 0.735,518 1.139,519 6.5,520 0.177,521 3.333,522 2.347,523 1.778,524 1.108,525 0.876,526 0.375,527 0.312,528 0.2,529 20389,530 52976,531 2.145,532 42.4,533 3,534 17,537 1,539 4,542 1.752,543 2.04,544 3.841,545 -0.363,550 95.158,551 1.613,552 3.638,553 4.649,554 5.124,555 5.124,556 5.124,557 3.329,558 4.337,559 5.052,560 4.093,561 2295.9,562 8.821,563 37302.6,568 347.076,569 1.286,570 5.033,571 0.171,572 0.007,573 0.063,574 0.044,575 0.036,576 0.025,577 0.02,578 0.009,579 0.01,580 0.008,581 0.394,582 0.17,583 0.63,584 0.459,585 186.743,586 0.023,587 -0.089,588 0.028,589 -0.036,590 0.013,591 0.003,592 0.007,593 0.034,594 0.048,595 0.048,596 0.138,597 0.037,598 -0.041,599 0.02,600 0.004,601 0.049,602 0.047,603 0.01,604 0.013,605 -0.095,606 0.171,607 0.08,608 0.159,609 0.084,610 -0.113,611 -0.124,612 -0.074,613 -0.036,614 -0.107,615 -0.014,616 -0.107,617 0.115,618 0.109,619 0.216,620 0.005,621 0.166,622 0.164,623 -0.002,624 -0.141,625 -0.192,626 0.132,627 -0.155,628 0.088,629 -0.104,630 -0.025,631 -0.133,632 -0.04,633 -0.155,634 1.234,635 2.379,636 0.794,637 48.664,638 1.003,639 1.121,640 4.766,641 22.718,642 0.705,643 3.664,644 3.989,645 4.263,646 4.533,647 4.727,648 4.82,649 4.977,650 5.136,651 5.273,652 5.361,653 9.001,654 0.666,655 494.46,656 3.664,657 5.209,658 6.061,659 6.938,660 7.803,661 8.685,662 9.556,663 10.441,664 11.317,665 12.206,666 8.5,669 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,699 1,703 1,704 2,705 59,706 23,707 3,708 38,710 63,711 26,712 19,713 9,714 9,717 5,718 6,719 2,721 1,724 2,727 2,729 19,730 7,747 25,748 6,749 1,750 8,751 2,755 5,760 0.8,761 1,776 1,778 1,779 4,783 1,800 1,803 4,807 1,808 2,811 34,817 6,818 1,819 1,822 1,832 2,833 1.7,838 1,841 16.667,842 11.002,843 7.389,844 3.702,847 4.389,848 1.522,849 1.012,850 7.047,851 12.801,852 3.922,853 4.549,854 5.15,855 5.764,856 6.36,857 6.694,858 7.178,859 7.68,860 8.147,861 8.487,862 1,863 53,864 12.532,865 5.322,866 7.585,867 24.309,868 20.14,869 2.085,870 70.889,874 282.506,875 140.835,876 71.247,877 78.297,878 11,881 140.835,882 371.804,883 71.247,884 8.825,885 15.979,886 85.286,887 50.112,888 60.981,889 1.899,890 282.506,891 78.297,892 282.506,893 212.082,894 11,895 78.297,897 235.422,898 58.084,900 52.126,901 109.844,902 128.409,904 282.506,905 82.246,906 219.133,909 282.506,910 46.724,911 97.236,912 18.011,913 139.409,914 282.506,915 82.246,916 219.133,918 0.582,919 0.34,920 0.186,921 0.094,922 26,923 11,924 0.111,925 7,926 1,927 1.074,928 4.68,929 313.918,930 0.074,931 27,932 158.974,936 23.159,937 10.346,938 5.405,939 1.449,940 82.246,941 17.204,942 13.331,946 5.96,948 18.011,949 583.886,950 49.5,960 59.203,961 66.156,962 0.274,963 0.618,964 0.79,965 0.871,966 0.871,967 0.871,968 5.158,969 1.879,970 6.038,971 5.801,972 4.673,973 5.236,974 1.324,975 6.834,976 4.554,977 6.362,978 1.861,979 7.584,980 5.562,981 4.205,982 5.047,983 0.325,984 7.689,985 3.981,986 7.669,987 1.414,988 9.229,989 5.104,990 6.252,991 7.468,992 0.958,993 10.797,994 6.037,995 9.012,996 1.24,997 10.933,998 3.038,999 6.608,1000 8.11,1001 0.268,1002 12.51,1003 6.305,1004 10.386,1005 1,1006 12.677,1007 3.008,1008 8.101,1009 10.006,1010 0.736,1011 15.134,1012 7.801,1013 11.784,1014 0.982,1015 14.449,1016 2.446,1017 8.852,1018 11.059,1019 0.188,1020 17.223,1021 8.481,1022 13.201,1023 0.94,1024 16.243,1025 2.275,1026 10.12,1027 12.73,1028 0.57,1029 19.682,1030 9.739,1031 3.19,1032 0.618,1033 18.055,1034 2.074,1035 11.066,1036 13.997,1037 0.125,1038 21.936,1039 10.629,1040 2.957,1041 10.965,1042 19.882,1043 1.372,1044 12.244,1045 15.565,1046 0.439,1047 24.337,1048 11.787,1049 2.689,1050 9.979,1051 21.721,1052 4.526,1053 13.286,1054 16.943,1055 0.082,1056 26.661,1057 12.784,1058 2.543,1059 7.728,1060 23.569,1061 4.074,1062 14.43,1063 18.465,1064 0.334,1065 29.043,1066 13.902,1067 2.382,1068 7.03,1069 25.427,1070 3.652,1071 15.519,1072 19.9,1073 0.054,1074 31.397,1075 14.953,1076 2.078,1077 6.877,1078 27.291,1079 3.175,1080 16.653,1081 21.403,1082 0.252,1083 33.775,1084 16.059,1085 1.986,1086 6.066,1087 29.161,1088 2.812,1089 17.766,1090 22.867,1091 0.035,1092 36.143,1093 17.138,1094 18794,1095 30665,1096 25.948,1097 41.574,1098 56.318,1099 57.394,1100 57.368,1101 56.7,1102 56.325,1103 73.711,1104 4.12,1105 160.697,1106 52.74,1107 5.564,1108 5.397,1109 6.407,1110 5.243,1111 5.19,1112 7.526,1113 1.72,1114 17.862,1115 5.083,1116 13.666,1117 1.482,1118 1.51,1119 1.51,1120 1.492,1121 1.482,1122 1.94,1123 0.108,1124 4.229,1125 1.388,1126 4.097,1127 4.128,1128 4.152,1129 4.024,1130 5.174,1131 4.028,1132 3.919,1133 3.954,1134 3.965,1135 3.83,1136 5.001,1137 3.833,1138 3.855,1139 3.906,1140 3.842,1141 3.77,1142 4.848,1143 3.769,1144 3.822,1145 3.855,1146 3.711,1147 3.678,1148 4.632,1149 3.675,1150 3.446,1151 3.507,1152 3.582,1153 3.233,1154 4.47,1155 3.258,1156 3.363,1157 3.433,1158 3.379,1159 3.172,1160 4.384,1161 3.176,1162 3.19,1163 3.261,1164 3.216,1165 3.059,1166 4.263,1167 3.045,1168 2.977,1169 3.035,1170 3.07,1171 2.849,1172 4.122,1173 2.831,1174 0.121,1175 0.089,1176 0.178,1177 0.109,1178 0.084,1179 4.605,1180 0.119,1181 3.397,1182 0.023,1183 6.749,1184 0.289,1185 4.157,1186 0.081,1187 3.19,1188 4.526,1189 0.86,1190 10.965,1191 3.083,1192 2.036,1193 2.016,1194 2.088,1195 2.135,1196 1.246,1197 2.121,1198 1.884,1199 1.86,1200 1.988,1201 1.993,1202 1.211,1203 1.993,1204 1.808,1205 1.786,1206 1.882,1207 1.894,1208 1.152,1209 1.901,1210 1.591,1211 1.517,1212 1.86,1213 1.827,1214 1.055,1215 1.833,1216 1.577,1217 1.507,1218 1.826,1219 1.751,1220 1,1221 1.793,1222 1.332,1223 1.266,1224 1.556,1225 1.578,1226 0.787,1227 1.568,1228 1.209,1229 1.143,1230 1.509,1231 1.446,1232 0.607,1233 1.468,1234 1.172,1235 1.101,1236 1.374,1237 1.376,1238 0.375,1239 1.4,1240 4.344,1242 5.666,1243 2.398,1244 7.18,1245 4.443,1246 8.786,1247 6.26,1248 10.443,1250 1.989,1251 12.789,1256 6.623,1257 3.225,1258 5.879,1261 2.438,1267 39.272,1268 95.158,1269 214.659,1270 274.282,1271 302.321,1272 302.321,1273 302.321,1274 49.996,1275 8.412,1276 63.17,1277 63.17,1278 29,1279 12.738,1280 4.585,1281 3.644,1282 50.511,1283 184,1284 188,1285 0.132,1286 245.636,1287 418.13,1288 591.113,1289 63294,1290 3.4,1291 23.493,1292 0.691,1293 0.6,1294 24.493,1295 20.404,1296 16.564,1297 0.436,1298 0.319,1299 11.319,1300 15.486,1301 10.991,1302 9.067,1303 17.141,1304 12.14,1305 14.978,1306 0.283,1307 0.175,1308 15.72,1309 9.254,1310 12.678,1311 0.181,1312 0.095,1313 13.351,1314 6.617,1315 10.873,1316 0.118,1317 0.053,1318 11.726,1319 4.861,1320 8.262,1321 0.074,1322 0.025,1323 8.633,1324 2.78,1325 0.216,1326 108.978,1327 0.196,1328 32.355,1329 0.338,1330 182,1331 501.056,1332 226.379,1333 550.435,1334 747.64,1335 516,1336 214,1337 519.825,1338 251.622,1339 546.118,1340 801.03,1341 515,1342 7.889}
{0 CHEMBL2309006,1 1.547,2 7.727,3 3.097,4 9.588,5 120.91,6 8.139,7 0.6,8 4.166,9 4.257,10 3.825,11 3.754,12 5.256,13 3.76,14 4.761,15 4.88,16 4.355,17 4.261,18 5.837,19 4.266,20 5.105,21 5.244,22 4.581,23 4.502,24 6.247,25 4.5,26 5.272,27 5.421,28 4.66,29 4.645,30 6.369,31 4.624,32 5.354,33 5.532,34 4.675,35 4.696,36 6.412,37 4.657,38 5.343,39 5.511,40 4.583,41 4.661,42 6.447,43 4.604,44 5.32,45 5.527,46 4.257,47 4.47,48 6.426,49 4.363,50 5.075,51 5.343,52 3.604,53 4.018,54 6.113,55 3.844,56 0.099,57 0.784,58 9.631,59 4.91,60 17.601,61 5.507,62 0.341,63 1.418,64 19.436,65 8.823,66 35.052,67 10.31,68 0.718,69 1.945,70 30.363,71 12.462,72 77.919,73 14.241,74 0.757,75 2.287,76 36.384,77 14.993,78 73.412,79 17.333,80 0.663,81 2.483,82 41.505,83 17.22,84 56.009,85 21.179,86 0.509,87 2.417,88 39.468,89 17.223,90 55.808,91 20.833,92 0.759,93 2.258,94 43.8,95 17.535,96 98.068,97 21.867,98 0.716,99 1.704,100 40.317,101 14.344,102 102.389,103 18.88,104 18,105 67,106 0.249,107 0.619,108 0.763,109 0.835,110 0.859,111 0.883,112 3.535,113 0.847,114 -3.29,115 -3.28,116 -3.14,118 48.1,119 1,120 1,124 2,127 1,128 1,129 1,138 8,139 6,148 4,151 1,163 13,166 2,167 11,170 1,172 3,173 14,176 1,177 11,180 2,181 1,182 4,184 14,188 15,191 3,193 3,195 16,199 1,200 12,203 3,205 5,208 21,212 1,213 9,218 13,221 18,224 1,225 4,228 1,230 14,233 11,237 2,241 1,242 5,245 9,252 1,253 1,254 1,257 4,260 1301,261 22.786,262 22.786,263 22.786,264 22.786,265 22.786,266 20.109,267 22.317,268 12.437,269 23.145,270 19.686,271 19.686,272 19.686,273 19.686,274 19.686,275 15.274,276 33.429,277 5.793,278 20.376,279 4.207,280 1.911,281 1.014,282 0.57,283 0.421,284 0.273,285 4.275,288 1,289 1,290 598,291 3.742,293 107.303,294 102.591,295 33.756,296 42.206,297 238.345,298 98.475,299 169.706,300 368.985,301 1.025,302 40.781,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 71.5,314 255,315 5.167,316 4.216,317 8.578,318 4.888,319 3.95,320 5.287,321 1.157,322 17.076,323 3.709,324 4.839,325 3.743,326 7.514,327 4.519,328 3.541,329 4.711,330 1.081,331 13.895,332 3.461,333 4.621,334 3.401,335 7.068,336 4.173,337 3.205,338 4.017,339 0.473,340 12.128,341 3.106,342 4.243,343 3.28,344 6.721,345 3.89,346 2.912,347 3.728,348 0.297,349 10.751,350 2.842,351 3.864,352 2.802,353 6.325,354 3.386,355 2.428,356 3.484,358 9.099,359 2.344,360 3.687,361 2.622,362 6.05,363 3.362,364 2.392,365 3.086,367 8.432,368 2.292,369 3.523,370 2.507,371 5.903,372 3.181,373 2.232,374 2.849,376 7.831,377 2.111,378 3.4,379 2.32,380 5.647,381 3.021,382 2.037,383 2.668,385 6.962,386 1.991,387 3.066,388 1.989,389 5.228,390 2.707,391 1.742,392 2.168,394 5.578,395 1.667,396 2.886,397 1.703,398 4.884,399 2.433,400 1.453,401 2.04,403 4.482,404 1.422,405 2.863,406 1.513,407 4.715,408 2.419,409 1.433,410 1.976,411 4.192,412 1.405,413 2.817,414 1.399,415 4.075,416 2.379,417 1.381,418 1.922,419 3.037,420 1.376,421 2.631,422 1.286,423 3.877,424 2.175,425 1.19,426 1.676,427 2.904,428 1.17,429 2.223,430 1.147,431 3.713,432 1.925,433 0.966,434 1.163,435 2.683,436 0.923,437 2.062,438 1.134,439 3.63,440 1.632,441 0.655,442 0.887,443 1.776,444 0.637,445 15.533,446 0.471,447 1.119,448 0.034,449 42.75,450 1.295,451 19.5,452 0.591,453 23.25,454 0.705,455 34.432,456 1.043,457 33.667,458 0.623,459 36.631,460 1.11,461 8.087,462 0.245,463 7.896,464 0.239,465 0.097,466 0.064,467 0.438,471 0.873,472 1.118,473 0.699,474 0.879,475 0.808,476 0.775,477 0.825,478 1.051,479 0.693,480 0.845,481 0.691,482 0.759,483 1.093,484 0.987,485 0.858,486 0.84,487 0.862,488 0.806,489 1.119,490 1.032,491 0.986,492 0.932,493 0.985,494 0.929,495 0.889,496 0.944,497 0.887,498 0.946,499 0.753,500 0.918,501 0.949,502 1.184,503 1.091,504 1.231,505 0.858,506 1.195,507 1.025,508 1.148,509 1.246,510 1.279,511 1.134,512 1.305,513 1.099,514 0.946,515 1.221,516 1.106,517 1.371,518 1.179,519 6,521 5.333,522 5.167,523 3.731,524 2.737,525 2.031,526 0.847,527 0.293,528 0.06,529 12383,530 30965,531 2.278,532 38.9,534 12,535 1,537 3,540 3,541 2,542 1.769,543 2.106,544 2.893,545 0.802,547 1,550 83.559,551 1.547,552 3.843,553 4.741,554 5.185,555 5.334,556 5.482,557 2.28,558 4.681,559 5.021,560 2.988,561 1577.92,562 8.884,563 20584.4,565 1,568 310.764,569 1.668,570 4.965,571 0.15,573 0.08,574 0.063,575 0.042,576 0.031,577 0.026,578 0.017,579 0.013,580 0.007,581 0.428,582 0.5,583 0.88,584 0.675,585 162.632,586 -0.104,587 -0.042,588 0.043,589 0.07,590 -0.137,591 0.081,592 0.047,593 0.028,594 0.121,595 0.097,596 -0.033,597 0.114,598 0.007,599 0.063,600 0.036,601 0.103,602 0.026,603 0.081,604 -0.077,605 0.006,606 -0.084,607 0.019,608 -0.078,609 -0.024,610 -0.006,611 0.069,612 0.045,613 0.027,614 0.009,615 0.043,616 -0.066,617 -0.193,618 -0.176,619 -0.255,620 -0.005,621 -0.238,622 -0.033,623 -0.213,624 -0.226,625 -0.282,626 -0.023,627 -0.29,628 -0.063,629 -0.06,630 -0.069,631 -0.083,632 -0.09,633 -0.079,634 2.727,635 6.164,636 0.848,637 22.498,638 1.011,639 1.112,640 2.064,641 4.261,642 0.698,643 3.714,644 4.22,645 4.718,646 5.204,647 5.635,648 6.038,649 6.441,650 6.798,651 7.076,652 7.337,653 4.824,654 0.679,655 439.5,656 3.714,657 5.371,658 6.347,659 7.349,660 8.351,661 9.363,662 10.374,663 11.39,664 12.405,665 13.422,666 5.6,673 1,674 2,680 8,681 8,686 2,687 2,688 24,694 1,705 54,706 25,707 3,708 40,710 61,711 26,712 18,713 10,714 8,715 1,717 8,718 80,721 2,724 2,725 1,727 2,729 19,730 7,731 1,733 1,737 1,740 1,744 1,747 21,748 5,749 3,750 7,755 3,760 0.125,761 4,762 1,764 1,766 1,775 2,778 4,779 3,780 1,781 1,782 5,783 2,784 3,785 6,801 2,802 1,803 1,807 1,811 33,816 2,817 3,818 1,819 1,821 1,823 2,833 7.4,834 2,836 1,837 1,841 15.667,842 10.133,843 6.715,844 3.335,847 5.324,848 1.509,849 1.053,850 3.14,851 15.789,852 3.989,853 4.779,854 5.608,855 6.449,856 7.231,857 7.937,858 8.655,859 9.327,860 9.884,861 10.444,862 1,863 82,864 12.431,865 6.082,866 7.732,867 23.765,868 22.398,869 2.232,870 73.667,873 1,874 211.88,875 119.22,876 21.809,878 121.512,881 119.22,882 333.391,883 21.809,884 8.825,885 22.651,886 161.177,887 40.849,888 20.461,889 20.348,890 200.109,892 211.88,893 141.029,894 121.512,897 176.567,898 60.458,899 96.367,900 35.274,901 105.754,904 211.88,905 143.32,906 119.22,909 211.88,910 34.584,911 88.433,912 18.011,913 121.512,914 211.88,915 143.32,916 119.22,918 0.617,919 0.402,920 0.244,921 0.147,922 44,923 18,924 0.016,925 1,926 10,927 1.607,928 3.91,929 416.917,930 0.714,931 25,932 166.465,936 18.522,937 5.594,938 1.829,939 7.694,940 139.522,941 16.104,946 1.713,947 4.203,948 103.377,949 474.42,950 53,954 13.164,957 -0.056,960 54.567,961 60.069,962 0.269,963 0.668,964 0.824,965 0.901,966 0.927,967 0.953,968 5.338,969 2.037,970 6.435,971 7.831,972 4.905,973 5.468,974 1.893,975 7.505,976 4.834,977 6.64,978 1.742,979 8.157,980 6.962,981 4.89,982 5.645,984 9.032,985 4.765,986 8.052,987 1.453,988 9.995,989 5.578,990 6.792,991 7.938,992 2.006,993 12.272,994 6.638,995 9.507,996 1.433,997 11.906,998 4.482,999 7.611,1000 8.954,1002 14.629,1003 7.394,1004 10.999,1005 1.381,1006 13.864,1007 4.192,1008 9.076,1009 10.788,1010 2.199,1011 17.511,1012 8.823,1013 12.517,1014 1.19,1015 15.858,1016 3.037,1017 10.22,1018 12.165,1020 20.164,1021 9.902,1022 14.056,1023 0.966,1024 17.879,1025 2.904,1026 11.571,1027 13.851,1028 2.413,1029 22.975,1030 11.207,1031 3.95,1032 0.655,1033 19.921,1034 2.683,1035 12.835,1036 15.382,1038 25.733,1039 12.408,1040 3.541,1041 17.076,1042 21.98,1043 1.776,1044 14.165,1045 17.027,1046 2.637,1047 28.541,1048 13.683,1049 3.205,1050 13.895,1051 24.055,1052 5.287,1053 15.476,1054 18.622,1056 31.338,1057 14.93,1058 2.912,1059 12.128,1060 26.141,1061 4.711,1062 16.81,1063 20.26,1064 2.87,1065 34.154,1066 16.204,1067 2.428,1068 10.751,1069 28.237,1070 4.017,1071 18.142,1072 21.884,1074 36.969,1075 17.471,1076 2.392,1077 9.099,1078 30.342,1079 3.728,1080 19.483,1081 23.524,1082 3.109,1083 39.792,1084 18.749,1085 2.232,1086 8.432,1087 32.453,1088 3.484,1089 20.827,1090 25.162,1092 42.616,1093 20.028,1094 11023,1095 17519,1096 27.164,1097 37.688,1098 65.351,1099 66.741,1100 68.402,1101 64.967,1102 65.008,1103 85.638,1104 6.016,1105 225.989,1106 62.704,1107 6.094,1108 6.216,1109 8.256,1110 6.014,1111 5.95,1112 8.287,1113 2.315,1114 26.593,1115 5.709,1116 14.183,1117 1.634,1118 1.669,1119 1.71,1120 1.624,1121 1.625,1122 2.141,1123 0.15,1124 5.65,1125 1.568,1126 4.369,1127 4.392,1128 4.355,1129 4.288,1130 7.429,1131 4.301,1132 4.016,1133 4.043,1134 3.984,1135 3.951,1136 6.497,1137 3.956,1138 3.851,1139 3.874,1140 3.791,1141 3.698,1142 6.402,1143 3.716,1144 3.722,1145 3.756,1146 3.654,1147 3.622,1148 5.083,1149 3.623,1150 3.447,1151 3.491,1152 3.371,1153 3.277,1154 4.809,1155 3.296,1156 3.307,1157 3.372,1158 3.208,1159 3.166,1160 4.562,1161 3.169,1162 3.179,1163 3.234,1164 3.026,1165 2.976,1166 4.426,1167 2.964,1168 3.08,1169 3.134,1170 2.958,1171 2.902,1172 4.082,1173 2.916,1174 0.129,1175 0.105,1176 0.214,1177 0.122,1178 0.099,1179 5.167,1180 0.132,1181 4.216,1182 0.029,1183 8.578,1184 0.427,1185 4.888,1186 0.093,1187 3.95,1188 5.287,1189 1.157,1190 17.076,1191 3.709,1192 2.037,1193 2.029,1194 2.08,1195 2.081,1196 1.367,1197 2.073,1198 1.937,1199 1.914,1200 2.027,1201 2.047,1202 1.279,1203 2.042,1204 1.917,1205 1.883,1206 1.995,1207 2.024,1208 1.176,1209 2.024,1210 1.622,1211 1.593,1212 1.788,1213 1.791,1214 1.021,1215 1.786,1216 1.473,1217 1.427,1218 1.678,1219 1.704,1220 0.907,1221 1.694,1222 1.351,1223 1.294,1224 1.567,1225 1.637,1226 0.755,1227 1.615,1228 1.218,1229 1.181,1230 1.427,1231 1.442,1232 0.568,1233 1.438,1234 1.039,1235 0.982,1236 1.271,1237 1.275,1238 0.422,1239 1.287,1240 4.394,1242 5.855,1243 3.714,1244 7.523,1245 6.304,1246 9.29,1247 8.608,1248 11.114,1250 1.867,1255 22.117,1256 0.278,1257 3.05,1258 6.686,1260 -0.487,1262 -2.667,1267 36.665,1268 83.559,1269 207.545,1270 256.009,1271 280.009,1272 288.009,1273 296.009,1274 56.6,1275 10.465,1276 88.65,1277 88.65,1278 45,1279 13.871,1280 4.7,1281 3.807,1282 36.592,1283 101,1284 91,1285 0.195,1286 208.118,1287 346.74,1288 499.568,1289 536347,1291 22.275,1292 0.675,1293 0.543,1294 22.275,1295 17.923,1296 15.983,1297 0.4,1298 0.282,1299 11.14,1300 15.441,1301 10.929,1302 8.821,1303 15.983,1304 11.287,1305 15.933,1306 0.238,1307 0.144,1308 15.933,1309 9.672,1310 15.77,1311 0.142,1312 0.074,1313 15.77,1314 8.234,1315 15.019,1316 0.083,1317 0.037,1318 15.019,1319 6.732,1320 13.834,1321 0.05,1322 0.019,1323 13.834,1324 5.24,1325 0.28,1326 99.877,1327 0.192,1328 28.323,1329 0.639,1330 214,1331 539.394,1332 233.73,1333 518.616,1334 746.46,1335 490,1336 285,1337 587.334,1338 307.921,1339 590.154,1340 917.05,1341 563,1342 6.796}
{0 CHEMBL2309609,1 1.495,2 10.884,3 5.28,4 27.873,5 161.613,6 7.818,7 0.588,8 4.432,9 4.533,10 4.067,11 4.023,12 5.496,13 4.016,14 5.025,15 5.167,16 4.544,17 4.493,18 6.056,19 4.483,20 5.333,21 5.485,22 4.773,23 4.738,24 6.359,25 4.721,26 5.534,27 5.691,28 4.914,29 4.904,30 6.564,31 4.88,32 5.692,33 5.865,34 4.973,35 5.013,36 6.721,37 4.969,38 5.784,39 5.982,40 4.947,41 5.063,42 6.789,43 4.989,44 5.803,45 6.024,46 4.802,47 5.003,48 6.787,49 4.902,50 5.655,51 5.887,52 4.571,53 4.828,54 6.63,55 4.71,56 0.025,57 1.045,58 13.58,59 6.639,60 11.439,61 8.089,62 0.432,63 1.864,64 28.35,65 11.59,66 33.192,67 14.33,68 0.591,69 2.488,70 40.031,71 16.026,72 47.117,73 19.605,74 0.59,75 3.015,76 49.661,77 19.899,78 68.572,79 24.119,80 0.87,81 3.522,82 59.91,83 23.293,84 83.434,85 28.77,86 0.845,87 3.793,88 68.123,89 27.096,90 96.013,91 34.924,92 0.914,93 3.759,94 73.598,95 28.599,96 122.862,97 37.189,98 0.723,99 3.236,100 64.383,101 24.864,102 97.084,103 32.687,104 27,105 81,106 0.226,107 0.55,108 0.729,109 0.82,110 0.857,111 0.873,112 3.789,113 0.868,114 -4.65,115 -4.57,116 -4.3,118 47.9,119 1,120 1,123 2,124 1,126 2,127 1,129 1,138 13,139 7,148 4,151 2,163 19,166 3,167 14,170 1,172 2,173 20,176 4,177 16,182 2,184 16,187 3,188 22,193 2,195 18,199 3,200 18,203 2,205 2,208 21,212 4,213 25,218 4,221 21,224 1,225 22,228 1,230 4,233 15,237 19,240 1,245 18,248 2,249 10,252 1,257 23,260 2814,261 29.799,262 29.799,263 29.799,264 29.799,265 29.799,266 26.304,267 30.079,268 16.787,269 30.356,270 25.135,271 25.135,272 25.135,273 25.135,274 25.135,275 19.497,276 44.101,277 7.85,278 25.984,279 4.695,280 2.551,281 1.37,282 0.766,283 0.524,284 0.415,285 4.529,289 1,290 1091,291 4.301,293 117.954,294 292.693,295 48.012,297 428.391,298 142.616,299 80.078,300 647.113,301 1.484,302 43.775,305 0.75,306 0.67,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.75,313 92,314 468,315 5.131,316 4.04,317 8.023,318 4.733,319 3.789,320 5.285,321 1.2,322 15.525,323 3.603,324 4.749,325 3.739,326 7.445,327 4.427,328 3.461,329 4.71,330 1.157,331 13.614,332 3.318,333 4.521,334 3.685,335 6.996,336 4.161,337 3.195,338 3.954,339 1.081,340 11.917,341 3.089,342 4.265,343 3.376,344 6.686,345 3.971,346 2.997,347 3.728,348 0.86,349 10.657,350 2.92,351 4.164,352 3.251,353 6.556,354 3.829,355 2.846,356 3.608,357 0.473,358 10.109,359 2.791,360 3.861,361 2.781,362 6.122,363 3.474,364 2.503,365 3.413,366 0.297,367 8.641,368 2.417,369 3.73,370 2.684,371 6.05,372 3.375,373 2.4,374 3.062,375 0.293,376 8.415,377 2.342,378 3.548,379 2.551,380 5.872,381 3.227,382 2.274,383 2.88,385 7.822,386 2.15,387 3.515,388 2.334,389 5.689,390 3.078,391 2.086,392 2.804,394 7.135,395 2.064,396 3.28,397 2.204,398 5.368,399 2.851,400 1.875,401 2.536,403 5.862,404 1.827,405 3.078,406 2.048,407 5.049,408 2.695,409 1.723,410 2.206,411 5.157,412 1.668,413 2.934,414 1.976,415 4.776,416 2.538,417 1.575,418 2.1,419 4.576,420 1.508,421 2.867,422 1.705,423 4.719,424 2.429,425 1.436,426 1.998,427 4.263,428 1.419,429 2.856,430 1.522,431 4.126,432 2.38,433 1.381,434 1.96,435 3.115,436 1.378,437 2.677,438 1.399,439 4.035,440 2.291,441 1.334,442 1.735,443 3.029,444 1.269,445 20.433,446 0.475,447 1.252,448 0.029,449 56.75,450 1.32,451 27,452 0.628,453 29.75,454 0.692,455 48.198,456 1.121,457 43.767,458 0.6,459 54.516,460 1.268,461 11.085,462 0.258,463 9.85,464 0.229,465 0.106,466 0.024,467 0.45,471 0.753,472 1.239,473 0.699,474 0.997,475 0.577,476 0.863,477 0.972,478 0.994,479 0.77,480 0.8,481 0.617,482 0.757,483 1.129,484 1.017,485 0.863,486 0.884,487 0.809,488 0.836,489 1.278,490 1.087,491 0.951,492 0.968,493 1.15,494 0.918,495 1.218,496 1.054,497 1.055,498 1.012,499 0.954,500 1.003,501 0.979,502 1.088,503 1.037,504 1.082,505 0.821,506 1.069,507 1.065,508 1.038,509 1.087,510 1.073,511 1.104,512 1.084,513 1.045,514 1.016,515 1.122,516 1.093,517 1.017,518 1.115,519 6.5,520 0.252,521 5.778,522 5.528,523 4.473,524 3.053,525 2.468,526 1.458,527 0.89,528 0.532,529 26543,530 63347,531 2.243,532 41.1,534 23,535 1,537 1,540 3,541 2,542 1.829,543 2.089,544 3.324,545 -0.438,550 109.126,551 1.495,552 3.639,553 4.82,554 5.424,555 5.666,556 5.775,557 2.751,558 5.101,559 5.395,560 3.484,561 3146.34,562 9.625,563 49138.1,568 451.857,569 1.534,570 5.355,571 0.127,572 0.006,573 0.071,574 0.055,575 0.039,576 0.026,577 0.022,578 0.015,579 0.012,580 0.009,581 0.384,582 0.33,583 0.75,584 0.613,585 234.301,586 -0.021,587 -0.151,588 0.081,589 -0.038,590 -0.053,591 0.023,592 0.058,593 0.098,594 0.112,595 0.141,596 0.011,597 0.134,598 0.013,599 0.047,600 0.054,601 0.064,602 -0.004,603 0.066,604 -0.099,605 -0.041,606 -0.018,607 -0.015,608 -0.088,609 -0.008,610 -0.056,611 -0.008,612 -0.101,613 -0.061,614 -0.031,615 -0.082,616 0.012,617 -0.087,618 -0.067,619 -0.104,620 0.032,621 -0.098,622 -0.039,623 -0.079,624 -0.072,625 -0.078,626 -0.027,627 -0.08,628 -0.071,629 -0.062,630 -0.098,631 -0.095,632 -0.036,633 -0.098,634 2.23,635 6.883,636 0.814,637 41.589,638 1.003,639 1.113,640 3.423,641 11.715,642 0.695,643 3.951,644 4.407,645 4.875,646 5.342,647 5.759,648 6.131,649 6.525,650 6.891,651 7.185,652 7.475,653 6.34,654 0.668,655 570.69,656 3.951,657 5.58,658 6.532,659 7.509,660 8.488,661 9.48,662 10.471,663 11.471,664 12.47,665 13.474,666 5.5,673 2,674 2,680 8,681 13,686 3,687 2,688 30,694 1,695 1,705 73,706 32,707 4,708 51,710 81,711 35,712 24,713 11,714 13,715 2,717 9,718 81,721 1,724 4,727 4,729 26,730 9,733 2,737 2,740 2,747 30,748 6,749 1,750 8,755 4,760 0.222,761 4,775 2,778 3,779 5,780 1,782 6,783 2,784 1,785 7,802 2,803 2,807 3,811 43,817 2,818 1,819 2,821 3,822 1,823 1,833 5.5,836 2,837 2,841 20.583,842 14.35,843 9.014,844 4.487,847 6.057,848 1.543,849 1.076,850 5.202,851 17.206,852 4.234,853 4.966,854 5.754,855 6.552,856 7.305,857 7.968,858 8.673,859 9.34,860 9.897,861 10.463,862 0.75,863 100,864 16.107,865 7.503,866 7.626,867 31.088,868 28.16,869 2.126,870 91.417,874 341.362,875 193.771,876 24.933,878 72.29,881 193.771,882 413.652,883 24.933,884 28.105,885 25.775,886 123.191,887 81.699,888 23.647,889 20.348,890 329.591,892 341.362,893 218.704,894 72.29,897 306.049,898 85.603,899 22,900 38.399,901 180.305,904 341.362,905 97.223,906 193.771,909 341.362,910 42.475,911 158.218,912 18.011,913 72.29,914 341.362,915 97.223,916 193.771,918 0.602,919 0.387,920 0.237,921 0.141,922 49,923 21,924 0.037,925 3,926 10,927 1.486,928 4.618,929 578.002,930 0.571,931 32,932 227.329,936 25.494,937 8.774,938 3.102,939 8.149,940 93.425,941 25.993,946 2.401,947 4.568,948 18.011,949 632.355,950 68,954 27.424,957 -0.107,960 73.203,961 81.228,962 0.242,963 0.588,964 0.779,965 0.876,966 0.915,967 0.933,968 5.551,969 2.274,970 6.583,971 8.415,972 5.094,973 5.656,974 2.398,975 7.595,976 5.028,977 6.818,978 2.086,979 8.263,980 7.822,981 4.934,982 5.712,983 0.325,984 8.936,985 4.821,986 8.196,987 1.875,988 10.052,989 7.135,990 6.891,991 8.054,992 2.49,993 12.174,994 6.748,995 9.616,996 1.723,997 11.907,998 5.862,999 7.586,1000 8.993,1001 0.653,1002 14.362,1003 7.385,1004 11.075,1005 1.575,1006 13.806,1007 5.157,1008 9.055,1009 10.847,1010 2.676,1011 17.185,1012 8.823,1013 12.563,1014 1.436,1015 15.736,1016 4.576,1017 10.105,1018 12.183,1019 1.001,1020 19.696,1021 9.813,1022 14.073,1023 1.381,1024 17.688,1025 4.263,1026 11.427,1027 13.876,1028 2.896,1029 22.418,1030 11.095,1031 3.789,1032 1.334,1033 19.658,1034 3.115,1035 12.619,1036 15.388,1037 1.37,1038 25.051,1039 12.23,1040 3.461,1041 15.525,1042 21.642,1043 3.029,1044 13.905,1045 17.034,1046 3.137,1047 27.756,1048 13.47,1049 3.195,1050 13.614,1051 23.639,1052 5.285,1053 15.157,1054 18.621,1055 1.754,1056 30.439,1057 14.666,1058 2.997,1059 11.917,1060 25.646,1061 4.71,1062 16.441,1063 20.258,1064 3.394,1065 33.148,1066 15.901,1067 2.846,1068 10.657,1069 27.662,1070 3.954,1071 17.719,1072 21.879,1073 2.143,1074 35.854,1075 17.125,1076 2.503,1077 10.109,1078 29.686,1079 3.728,1080 19.011,1081 23.519,1082 3.662,1083 38.57,1084 18.365,1085 2.4,1086 8.641,1087 31.717,1088 3.608,1089 20.304,1090 25.156,1091 2.535,1092 41.288,1093 19.604,1094 23670,1095 36698,1096 34.737,1097 50.739,1098 81.873,1099 83.792,1100 85.013,1101 81.12,1102 81.073,1103 106.902,1104 10.722,1105 267.411,1106 78.481,1107 6.131,1108 6.04,1109 7.825,1110 5.865,1111 5.789,1112 8.285,1113 2.357,1114 24.412,1115 5.603,1116 18.973,1117 1.605,1118 1.643,1119 1.667,1120 1.591,1121 1.59,1122 2.096,1123 0.21,1124 5.243,1125 1.539,1126 4.367,1127 4.39,1128 4.352,1129 4.287,1130 7.431,1131 4.3,1132 4.019,1133 4.046,1134 3.986,1135 3.953,1136 7.426,1137 3.957,1138 3.943,1139 3.972,1140 3.885,1141 3.858,1142 5.093,1143 3.858,1144 3.829,1145 3.86,1146 3.762,1147 3.687,1148 4.812,1149 3.7,1150 3.725,1151 3.762,1152 3.657,1153 3.623,1154 4.73,1155 3.624,1156 3.508,1157 3.564,1158 3.429,1159 3.322,1160 4.687,1161 3.343,1162 3.411,1163 3.467,1164 3.307,1165 3.234,1166 4.465,1167 3.24,1168 3.319,1169 3.375,1170 3.228,1171 3.132,1172 4.409,1173 3.151,1174 0.101,1175 0.079,1176 0.157,1177 0.093,1178 0.074,1179 5.131,1180 0.104,1181 4.04,1182 0.024,1183 8.023,1184 0.304,1185 4.733,1186 0.071,1187 3.789,1188 5.285,1189 1.2,1190 15.525,1191 3.603,1192 2.036,1193 2.028,1194 2.08,1195 2.095,1196 1.377,1197 2.081,1198 1.958,1199 1.932,1200 2.057,1201 2.068,1202 1.349,1203 2.07,1204 1.907,1205 1.882,1206 2.019,1207 2.019,1208 1.166,1209 2.005,1210 1.889,1211 1.856,1212 1.954,1213 1.999,1214 1.141,1215 2.003,1216 1.78,1217 1.746,1218 1.934,1219 1.918,1220 1.072,1221 1.927,1222 1.41,1223 1.353,1224 1.668,1225 1.667,1226 0.846,1227 1.658,1228 1.382,1229 1.32,1230 1.603,1231 1.642,1232 0.769,1233 1.632,1234 1.316,1235 1.269,1236 1.577,1237 1.55,1238 0.684,1239 1.553,1240 4.635,1242 6.057,1243 3.434,1244 7.692,1245 6.009,1246 9.429,1247 8.32,1248 11.225,1250 5.66,1256 0.99,1257 3.126,1258 13.578,1260 -1.211,1261 1.826,1262 -0.98,1267 48.793,1268 109.126,1269 265.646,1270 351.835,1271 395.941,1272 413.593,1273 421.593,1274 73.798,1275 11.149,1276 77.73,1277 77.73,1278 52,1279 13.932,1280 5.044,1281 4.17,1282 49.806,1283 172,1284 204,1285 0.153,1286 282.14,1287 479.62,1288 680.183,1289 1253820,1291 29.198,1292 0.679,1293 0.561,1294 29.198,1295 24.126,1296 20.936,1297 0.411,1298 0.289,1299 14.559,1300 20.216,1301 14.193,1302 11.597,1303 20.936,1304 14.758,1305 19.933,1306 0.246,1307 0.149,1308 19.933,1309 12.092,1310 19.217,1311 0.148,1312 0.077,1313 19.217,1314 10.036,1315 18.325,1316 0.088,1317 0.04,1318 18.325,1319 8.327,1320 16.612,1321 0.053,1322 0.02,1323 16.612,1324 6.453,1325 0.226,1326 130.7,1327 0.17,1328 35.915,1329 0.471,1330 264,1331 674.21,1332 287.03,1333 648.608,1334 928.49,1335 614,1336 343,1337 721.878,1338 369.693,1339 729.588,1340 1117.2,1341 692,1342 6.022}
{0 CHEMBL2333365,1 1.775,2 12.281,3 3.008,4 9.046,5 120.544,6 8.436,7 0.514,8 4.101,9 4.194,10 3.89,11 3.697,12 5.258,13 3.666,14 4.641,15 4.78,16 4.197,17 4.077,18 5.963,19 4.05,20 4.912,21 5.053,22 4.377,23 4.265,24 6.181,25 4.239,26 5.045,27 5.215,28 4.292,29 4.265,30 6.462,31 4.212,32 5.016,33 5.222,34 4.14,35 4.206,36 6.289,37 4.124,38 4.905,39 5.114,40 4.054,41 4.118,42 5.977,43 4.029,44 4.915,45 5.144,46 4.098,47 4.044,48 6.218,49 3.979,50 4.764,51 4.95,52 3.993,53 3.982,54 5.982,55 3.907,56 0.139,57 0.856,58 11.416,59 5.525,60 24.253,61 5.828,62 0.466,63 1.368,64 22.143,65 9.201,66 62.132,67 10.208,68 0.59,69 1.792,70 27.651,71 11.63,72 79.184,73 12.539,74 1.002,75 1.989,76 33.059,77 13.221,78 165.036,79 14.525,80 1.009,81 1.833,82 36.728,83 13.236,84 145.877,85 15.662,86 0.535,87 1.574,88 30.372,89 11.9,90 87.51,91 15.037,92 0.978,93 1.636,94 33.206,95 11.587,96 140.952,97 14.293,98 0.725,99 1.462,100 29.88,101 10.658,102 90.796,103 11.604,104 51,105 52,106 0.291,107 0.647,108 0.809,109 0.869,110 0.883,111 0.883,112 3.503,113 1.012,114 -4.25,115 -4.19,116 -3.96,118 42.6,119 1,123 1,124 3,138 7,139 5,140 3,141 1,143 1,151 1,156 1,157 1,158 1,163 11,166 2,167 7,169 1,170 1,172 1,173 11,175 1,176 1,177 11,182 1,184 9,186 1,188 14,193 1,195 6,197 1,199 1,200 11,205 1,208 5,211 1,213 6,218 2,221 6,223 2,224 6,225 6,230 2,233 8,235 2,237 1,245 9,248 1,249 4,251 2,252 2,257 7,260 1732,261 20.833,262 20.833,263 20.833,264 20.833,265 20.833,266 18.171,267 20.498,268 11.766,269 21.41,270 17.196,271 17.196,272 17.196,273 17.196,274 17.196,275 13.096,276 22.377,277 5.538,278 18.18,279 3.98,280 1.804,281 0.813,282 0.449,283 0.361,284 0.361,285 4.192,288 1,289 1,290 840,291 3.742,294 289.844,295 96.024,299 154.699,301 1.924,302 55.086,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 71,314 393,315 4.864,316 5.194,317 7.276,318 4.307,319 3.412,320 4.731,321 2.95,322 12.338,323 3.132,324 4.408,325 3.736,326 6.646,327 4.043,328 3.082,329 4.045,330 1.23,331 10.465,332 2.956,333 4.343,334 3.236,335 6.298,336 3.939,337 2.96,338 3.994,339 0.86,340 9.592,341 2.8,342 4.049,343 3.151,344 6.036,345 3.668,346 2.703,347 3.607,348 0.521,349 8.651,350 2.601,351 3.804,352 2.801,353 5.887,354 3.419,355 2.473,356 3.117,358 7.936,359 2.32,360 3.621,361 2.438,362 5.215,363 3.209,364 2.259,365 2.996,367 6.084,368 2.141,369 3.174,370 2.384,371 5.04,372 2.825,373 1.881,374 2.33,376 5.933,377 1.761,378 2.958,379 2.277,380 4.539,381 2.592,382 1.657,383 2.137,385 4.488,386 1.54,387 2.921,388 2.076,389 4.448,390 2.485,391 1.499,392 2.066,394 4.089,395 1.473,396 2.864,397 1.966,398 4.258,399 2.407,400 1.419,401 2.001,403 3.863,404 1.398,405 2.5,406 1.47,407 3.845,408 2.146,409 1.163,410 1.5,411 2.785,412 1.129,413 2.498,414 1.278,415 3.414,416 1.959,417 1,418 1.424,419 2.275,420 0.956,421 2.132,422 1.217,423 3.4,424 1.783,425 0.803,426 1.012,427 1.986,428 0.776,429 1.365,430 1,431 3.092,432 1.072,433 0.154,434 0.176,435 0.363,436 0.136,437 1.297,438 0.634,439 2.849,440 0.979,441 0.031,442 0.037,443 0.075,444 0.029,445 15.152,446 0.474,447 1.111,448 0.035,449 44,450 1.375,451 23.5,452 0.734,453 20.5,454 0.641,455 27.066,456 0.846,457 34.648,458 0.642,459 37.803,460 1.181,461 8.661,462 0.271,463 6.486,464 0.203,465 0.177,466 0.055,467 0.356,470 1,471 0.591,472 1.103,473 0.781,474 1.135,475 0.634,476 0.908,477 0.75,478 0.926,479 0.908,480 0.971,481 0.561,482 0.824,483 1.068,484 1.127,485 0.903,486 1.038,487 0.998,488 1.004,489 1.223,490 1.207,491 1.044,492 1.063,493 1.161,494 1.153,495 0.955,496 0.898,497 1.037,498 0.968,499 1.012,500 1.033,501 0.73,502 1.004,503 0.788,504 1.046,505 0.767,506 1.101,507 0.898,508 0.843,509 0.736,510 0.731,511 0.758,512 0.808,513 1.161,514 1.084,515 1.245,516 1.123,517 1.013,518 1.065,519 8,520 0.286,521 5.111,522 2.938,523 2.17,524 1.337,525 0.833,526 0.622,527 0.457,528 0.364,529 13574,530 44748,531 2.019,532 40.7,533 3,534 16,536 1,537 2,542 1.745,543 1.837,544 3.57,545 0.239,547 1,550 95.86,551 1.775,552 3.951,553 4.942,554 5.306,555 5.394,556 5.394,557 3.028,558 4.578,559 4.971,560 3.732,561 1851.15,562 8.699,563 26461.3,568 310.764,569 1.693,570 4.896,571 0.229,572 0.01,573 0.098,574 0.05,575 0.042,576 0.029,577 0.02,578 0.014,579 0.012,580 0.011,581 0.515,582 0.33,583 1,584 0.792,585 167.287,586 0.008,587 -0.049,588 0.159,589 -0.016,590 -0.11,591 0.041,592 0.05,593 0.066,594 0.027,595 0.059,596 0.131,597 0.125,598 -0.114,599 -0.123,600 -0.053,601 -0.081,602 -0.102,603 -0.076,604 -0.066,605 -0.099,606 -0.178,607 -0.135,608 0.01,609 -0.215,610 0.018,611 0.088,612 -0.1,613 -0.015,614 -0.001,615 -0.043,616 -0.002,617 -0.181,618 0.048,619 -0.132,620 -0.049,621 -0.084,622 0.13,623 0.14,624 0.18,625 0.168,626 0.141,627 0.184,628 -0.094,629 -0.051,630 -0.165,631 -0.072,632 -0.071,633 -0.082,634 4.653,635 6.684,636 0.719,637 32.273,638 1.019,639 1.125,640 3.019,641 9.117,642 0.686,643 3.584,644 3.97,645 4.234,646 4.466,647 4.7,648 4.836,649 4.977,650 5.043,651 5.165,652 5.333,653 7.114,654 0.662,655 455.55,656 3.584,657 5.165,658 6.028,659 6.929,660 7.807,661 8.707,662 9.592,663 10.492,664 11.38,665 12.281,666 5.6,670 1,673 1,676 1,681 8,682 1,686 9,688 18,695 1,698 1,703 1,704 1,705 54,706 21,707 2,708 35,710 57,711 23,712 17,713 7,714 5,715 1,717 4,718 5,721 1,729 18,730 5,733 3,736 1,737 3,740 1,744 1,745 1,747 22,748 8,749 2,750 9,751 1,755 3,760 0.75,761 4,773 1,779 3,780 1,784 1,803 3,805 1,807 2,809 1,811 32,812 1,814 1,817 3,819 1,822 1,832 1,833 7.4,836 3,838 1,841 17.417,842 10.376,843 6.778,844 3,847 3.345,848 1.417,849 1.005,850 5.933,851 11.374,852 3.871,853 4.538,854 5.07,855 5.604,856 6.137,857 6.41,858 6.805,859 6.962,860 7.271,861 7.64,862 1,863 59,864 12.196,865 5.673,866 8.112,867 22.117,868 18.576,869 2.612,870 83.583,873 1,874 235.422,875 145.122,876 52.807,878 80.458,879 14.96,880 6.046,881 139.076,882 315.88,883 67.767,884 16.016,885 11.928,886 105.277,887 102.719,888 51.89,889 17.288,890 223.651,892 235.422,893 191.883,894 95.418,895 6.046,897 250.382,898 80.458,900 29.801,901 145.297,902 22.831,904 250.382,905 133.265,906 145.122,908 6.046,909 235.422,910 47.679,911 94.521,913 145.101,914 235.422,915 148.225,916 145.122,918 0.605,919 0.352,920 0.178,921 0.095,922 26,923 13,924 0.053,925 3,926 1,927 1.087,928 4.107,929 302.067,930 0.087,931 23,932 158,935 1,936 22.253,937 8.532,938 4.505,940 148.225,941 13.43,942 4.115,946 2.474,948 32.897,949 528.769,950 47,953 -3.736,954 36.771,957 -0.391,960 55.04,961 60.744,962 0.308,963 0.686,964 0.859,965 0.922,966 0.937,967 0.937,968 5.145,969 1.657,970 6.075,971 5.933,972 4.654,973 5.226,974 3.149,975 6.954,976 4.551,977 6.408,978 1.499,979 7.693,980 4.488,981 4.511,982 5.359,983 0.325,984 8.127,985 4.307,986 7.772,987 1.419,988 9.417,989 4.089,990 6.365,991 7.548,992 5.06,993 11.175,994 6.146,995 9.174,996 1.163,997 11.203,998 3.863,999 6.986,1000 8.452,1001 0.74,1002 13.12,1003 6.655,1004 10.608,1005 1,1006 13.028,1007 2.785,1008 8.387,1009 10.202,1010 7.189,1011 15.765,1012 8.032,1013 12.064,1014 0.803,1015 14.88,1016 2.275,1017 9.328,1018 11.434,1019 1.168,1020 18.015,1021 8.866,1022 13.538,1023 0.154,1024 16.752,1025 1.986,1026 10.576,1027 13.033,1028 9.348,1029 20.542,1030 10.072,1031 3.412,1032 0.031,1033 18.639,1034 0.363,1035 11.654,1036 14.416,1037 1.605,1038 22.922,1039 11.052,1040 3.082,1041 12.338,1042 20.539,1043 0.075,1044 12.854,1045 15.962,1046 11.511,1047 25.416,1048 12.192,1049 2.96,1050 10.465,1051 22.449,1052 4.731,1053 13.994,1054 17.418,1055 2.049,1056 27.857,1057 13.24,1058 2.703,1059 9.592,1060 24.368,1061 4.045,1062 15.182,1063 18.948,1064 13.675,1065 30.346,1066 14.356,1067 2.473,1068 8.651,1069 26.294,1070 3.994,1071 16.351,1072 20.443,1073 2.494,1074 32.817,1075 15.436,1076 2.259,1077 7.936,1078 28.226,1079 3.607,1080 17.541,1081 21.972,1082 15.838,1083 35.309,1084 16.547,1085 1.881,1086 6.084,1087 30.165,1088 3.117,1089 18.727,1090 23.488,1091 2.938,1092 37.796,1093 17.644,1094 13080,1095 23918,1096 22.482,1097 37.034,1098 53.403,1099 57.297,1100 55.588,1101 53.125,1102 52.994,1103 70.349,1104 11.123,1105 161.848,1106 50.296,1107 5.786,1108 7.194,1109 6.803,1110 5.38,1111 5.412,1112 7.731,1113 5.9,1114 20.259,1115 5.132,1116 19.829,1117 1.526,1118 1.637,1119 1.588,1120 1.518,1121 1.514,1122 2.01,1123 0.318,1124 4.624,1125 1.437,1126 4.108,1127 4.099,1128 4.737,1129 4.104,1130 8.201,1131 4.025,1132 4.01,1133 4.02,1134 3.984,1135 3.947,1136 7.715,1137 3.94,1138 3.814,1139 3.848,1140 3.838,1141 3.699,1142 7.427,1143 3.686,1144 3.72,1145 3.712,1146 3.72,1147 3.642,1148 6.999,1149 3.6,1150 3.512,1151 3.566,1152 3.429,1153 3.34,1154 5.176,1155 3.344,1156 3.213,1157 3.264,1158 3.115,1159 2.999,1160 4.843,1161 3.001,1162 3.131,1163 3.212,1164 2.947,1165 2.977,1166 4.562,1167 2.958,1168 3.064,1169 3.146,1170 2.94,1171 2.898,1172 4.541,1173 2.907,1174 0.139,1175 0.148,1176 0.208,1177 0.123,1178 0.097,1179 4.864,1180 0.135,1181 5.194,1182 0.084,1183 7.276,1184 0.353,1185 4.307,1186 0.089,1187 3.412,1188 4.731,1189 2.95,1190 12.338,1191 3.132,1192 1.995,1193 2.006,1194 2.057,1195 2.069,1196 1.258,1197 2.088,1198 1.968,1199 1.95,1200 2,1201 2.044,1202 1.212,1203 2.053,1204 1.727,1205 1.694,1206 1.838,1207 1.872,1208 1.07,1209 1.872,1210 1.635,1211 1.641,1212 1.78,1213 1.823,1214 0.908,1215 1.83,1216 1.511,1217 1.462,1218 1.612,1219 1.688,1220 0.892,1221 1.734,1222 1.187,1223 1.13,1224 1.51,1225 1.42,1226 0.608,1227 1.443,1228 1.162,1229 1.088,1230 1.426,1231 1.374,1232 0.569,1233 1.404,1234 0.975,1235 0.909,1236 1.239,1237 1.252,1238 0.23,1239 1.26,1240 4.263,1242 5.631,1244 7.185,1245 2.708,1246 8.82,1247 5.198,1248 10.497,1250 2.343,1252 14.684,1254 5.664,1256 0.852,1258 5.81,1261 1.568,1267 35.762,1268 95.86,1269 213.338,1270 266.848,1271 286.499,1272 291.254,1273 291.254,1274 87.328,1275 8.029,1276 102.59,1277 110.97,1278 25,1279 12.805,1280 4.459,1281 3.7,1282 51.878,1283 136,1284 150,1285 0.186,1286 221.244,1287 390.66,1288 531.595,1289 35489,1290 1.9,1291 23.043,1292 0.72,1293 0.576,1294 22.423,1295 18.448,1296 15.147,1297 0.433,1298 0.337,1299 9.922,1300 13.777,1301 9.461,1302 7.809,1303 15.614,1304 11.801,1305 14.831,1306 0.285,1307 0.186,1308 15.803,1309 9.676,1310 12.145,1311 0.179,1312 0.096,1313 12.286,1314 6.542,1315 9.811,1316 0.114,1317 0.052,1318 9.708,1319 4.466,1320 7.747,1321 0.071,1322 0.028,1323 8.155,1324 3.057,1325 0.292,1326 104.494,1327 0.211,1328 29.711,1329 0.511,1330 174,1331 610.516,1332 225.765,1333 580.504,1334 769.95,1335 534,1336 207,1337 528.276,1338 267.079,1339 562.257,1340 818.04,1341 524,1342 5}
{0 CHEMBL2333436,1 1.609,2 9.577,3 4.583,4 21.003,5 105.972,6 7.819,7 0.586,8 3.953,9 4.057,10 3.734,11 3.575,12 4.973,13 3.517,14 4.512,15 4.678,16 4.075,17 3.986,18 5.708,19 3.92,20 4.724,21 4.894,22 4.206,23 4.163,24 5.831,25 4.088,26 4.859,27 5.03,28 4.152,29 4.196,30 6.086,31 4.106,32 4.83,33 5.045,34 3.934,35 4.127,36 5.836,37 3.986,38 4.756,39 4.999,40 3.736,41 3.934,42 5.77,43 3.81,44 4.498,45 4.7,46 3.632,47 3.805,48 5.524,49 3.687,50 4.524,51 4.756,52 3.537,53 3.787,54 5.499,55 3.619,56 0.089,57 0.714,58 12.129,59 4.755,60 14.105,61 5.738,62 0.306,63 1.175,64 19.933,65 7.786,66 43.781,67 9.861,68 0.159,69 1.442,70 28.657,71 10.367,72 25.666,73 12.676,74 0.507,75 1.557,76 28.719,77 11.007,78 68.168,79 13.59,80 0.15,81 1.485,82 31.511,83 12.343,84 40.649,85 15.645,86 0.35,87 1.342,88 30.475,89 10.262,90 57.018,91 13.03,92 0.216,93 1.076,94 19.975,95 7.597,96 35.342,97 9.733,98 0.12,99 1.094,100 22.949,101 8.87,102 28.217,103 11.505,104 30,105 44,106 0.272,107 0.577,108 0.742,109 0.827,110 0.837,111 0.837,112 3.306,113 1.055,114 -4.49,115 -4.41,116 -4.16,118 42.6,119 2,120 1,123 1,124 1,138 7,139 4,140 2,141 1,148 1,159 1,163 13,166 3,167 4,173 17,177 5,184 17,187 6,188 8,195 13,200 9,208 9,213 11,221 7,225 8,233 6,237 8,245 4,249 7,257 2,260 936,261 17.513,262 17.513,263 17.513,264 17.513,265 17.513,266 15.353,267 17.551,268 9.76,269 17.818,270 14.121,271 14.121,272 14.121,273 14.121,274 14.121,275 10.572,276 17.803,277 4.401,278 14.609,279 3.945,280 2.139,281 1.163,282 0.66,283 0.601,284 0.601,285 3.997,288 1,289 1,290 540,291 3.082,293 46.433,294 172.578,297 81.187,298 86.812,301 1.533,302 27.119,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 55.5,314 249,315 5.04,316 4.757,317 7.804,318 4.584,319 3.651,320 4.88,321 0.4,322 14.325,323 3.395,324 4.375,325 3.116,326 6.688,327 3.946,328 2.963,329 4.073,331 10.597,332 2.91,333 4.181,334 2.873,335 6.311,336 3.773,337 2.802,338 3.795,340 9.308,341 2.715,342 3.965,343 2.809,344 6.092,345 3.557,346 2.589,347 3.518,349 8.715,350 2.502,351 3.672,352 2.548,353 5.301,354 3.333,355 2.342,356 3.041,358 6.768,359 2.312,360 3.055,361 2.01,362 5.173,363 2.743,364 1.788,365 2.206,367 5.521,368 1.7,369 2.923,370 1.539,371 4.499,372 2.48,373 1.484,374 2.1,376 4.149,377 1.477,378 2.794,379 1.365,380 4.36,381 2.298,382 1.322,383 1.889,385 3.736,386 1.287,387 2.5,388 1.026,389 3.979,390 2,391 1,392 1.5,394 2.275,395 1,396 2.336,397 1,398 3.61,399 1.849,400 0.888,401 1.261,403 2.203,404 0.851,405 2.065,406 0.768,407 3.414,408 1.655,409 0.694,410 0.902,411 1.904,412 0.665,413 1.654,414 0.595,415 3.057,416 1.48,417 0.485,418 0.549,419 0.761,420 0.482,421 1.543,422 0.535,423 2.84,424 1.357,425 0.378,426 0.431,427 0.59,428 0.369,429 1.016,430 -0.033,431 2.598,432 0.698,433 -0.283,434 -0.347,435 -0.624,436 -0.276,437 1,438 -0.264,439 2.45,440 0.437,441 -0.541,442 -0.666,443 -1.217,444 -0.526,445 12.7,446 0.488,447 0.79,448 0.03,449 35.75,450 1.375,451 19.5,452 0.75,453 16.25,454 0.625,455 21.147,456 0.813,457 27.5,458 0.585,459 27.276,460 1.049,461 6.611,462 0.254,463 5.857,464 0.225,465 0.171,466 0.066,467 0.339,471 0.422,472 1.273,473 0.81,474 1.209,475 0.642,476 0.96,477 0.658,478 0.96,479 0.722,480 0.76,481 0.539,482 0.751,483 0.914,484 1.115,485 1.042,486 1.107,487 0.774,488 0.888,489 1.216,490 0.985,491 1.022,492 0.986,493 1.437,494 1.089,495 0.756,496 1.183,497 1.074,498 1.209,499 0.765,500 1.152,501 1.334,502 0.892,503 1.039,504 0.879,505 1.271,506 0.91,507 1.267,508 1.034,509 1.001,510 0.933,511 1.169,512 1.1,513 0.686,514 1.134,515 1.075,516 1.184,517 0.555,518 1.202,519 6,520 0.144,521 4.444,522 2.403,523 2.508,524 1.219,525 0.778,526 0.411,527 0.271,528 0.213,529 7092,530 17884,531 2.069,532 44.7,533 5,534 12,536 1,539 3,542 1.695,543 1.891,544 3.178,545 -0.76,550 75.634,551 1.609,552 3.416,553 4.391,554 4.895,555 4.953,556 4.953,557 2.69,558 4.316,559 4.668,560 3.338,561 1084.96,562 8.113,563 12762.1,565 1,568 261.066,569 1.693,570 4.603,571 0.207,572 0.013,573 0.101,574 0.048,575 0.055,576 0.033,577 0.025,578 0.015,579 0.012,580 0.013,581 0.522,582 0.33,583 1,584 0.923,585 124.118,586 0.225,587 -0.117,588 0.24,589 -0.094,590 -0.143,591 0.008,592 0.281,593 0.138,594 0.205,595 0.206,596 0.251,597 0.184,598 -0.009,599 -0.038,600 0.056,601 -0.022,602 0.067,603 0.088,604 0.065,605 0.045,606 -0.142,607 -0.07,608 -0.072,609 -0.175,611 -0.225,612 -0.092,613 -0.19,614 0.008,615 -0.143,616 -0.186,617 0.072,618 -0.073,619 0.059,620 -0.105,621 0.053,622 -0.234,623 -0.032,624 -0.17,625 -0.045,626 -0.164,627 -0.164,628 -0.015,629 -0.168,630 -0.113,631 -0.191,632 0.046,633 -0.196,634 4.477,635 5.794,636 0.731,637 20.769,638 1,639 1.119,640 3.258,641 10.612,642 0.69,643 3.401,644 3.807,645 4.174,646 4.477,647 4.779,648 4.977,649 5.136,650 5.252,651 5.357,652 5.451,653 5.553,654 0.647,655 367.51,656 3.401,657 4.99,658 5.894,659 6.823,660 7.75,661 8.687,662 9.623,663 10.565,664 11.505,665 12.451,666 6.4,672 1,674 1,676 1,681 8,682 1,686 7,687 1,688 17,705 47,706 19,707 2,708 29,710 50,711 20,712 15,713 5,714 7,717 4,718 7,721 2,727 1,729 15,730 5,733 2,736 1,737 2,744 1,747 21,748 4,750 6,751 1,755 3,760 0.5,761 2,771 1,778 1,779 3,782 1,783 1,803 2,805 1,807 3,811 26,815 1,817 2,822 1,833 4.3,836 2,841 13.75,842 9.517,843 5.667,844 3.096,847 3.327,848 1.427,849 1.023,850 4.074,851 11.127,852 3.701,853 4.398,854 5.036,855 5.658,856 6.236,857 6.657,858 7.102,859 7.544,860 7.96,861 8.344,862 1,863 50,864 9.863,865 4.514,866 7.753,867 18.625,868 15.943,869 2.253,870 58.583,873 1,874 247.193,875 131.682,876 19.958,878 44.313,880 5.807,881 125.875,882 291.506,883 19.958,884 26.047,885 4.64,886 72.141,887 72.747,888 29.392,889 2.757,890 235.422,892 247.193,893 145.833,894 44.313,895 5.807,897 211.88,898 79.626,900 33.115,901 96.055,902 22.47,904 247.193,905 64.271,906 131.682,908 5.807,909 247.193,910 24.447,911 104.723,913 60.976,914 247.193,915 64.271,916 131.682,918 0.598,919 0.379,920 0.2,921 0.112,922 24,923 11,924 0.06,925 3,926 2,927 1.211,928 3.583,929 239.276,930 0.211,931 19,932 116.211,935 1,936 17.169,937 6.169,938 2.572,940 62.495,941 15.865,942 4.281,946 5.999,947 1.753,949 443.146,950 39.5,953 -3.56,954 25.588,960 46.989,961 52.571,962 0.29,963 0.615,964 0.791,965 0.881,966 0.892,967 0.892,968 4.978,969 1.322,970 5.948,971 4.149,972 4.489,973 5.085,974 0.278,975 6.901,976 4.419,977 6.253,978 1,979 7.608,980 3.736,981 4.369,982 5.231,984 8.246,985 4.224,986 7.636,987 0.888,988 9.383,989 2.275,990 6.263,991 7.466,992 0.05,993 11.383,994 6.098,995 9.066,996 0.694,997 11.226,998 2.203,999 6.967,1000 8.429,1002 13.544,1003 6.707,1004 10.532,1005 0.485,1006 13.115,1007 1.904,1008 8.398,1009 10.195,1010 0.008,1011 16.312,1012 8.105,1013 12.025,1014 0.378,1015 15.037,1016 0.761,1017 9.435,1018 11.492,1020 18.777,1021 9.044,1022 13.537,1023 -0.283,1024 16.982,1025 0.59,1026 10.732,1027 13.109,1028 0.001,1029 21.456,1030 10.288,1031 3.651,1032 -0.541,1033 18.947,1034 -0.624,1035 11.908,1036 14.553,1038 24.037,1039 11.369,1040 2.963,1041 14.325,1042 20.927,1043 -1.217,1044 13.176,1045 16.125,1047 26.697,1048 12.568,1049 2.802,1050 10.597,1051 22.92,1052 4.88,1053 14.41,1054 17.636,1056 29.325,1057 13.713,1058 2.589,1059 9.308,1060 24.922,1061 4.073,1062 15.679,1063 19.2,1065 31.982,1066 14.906,1067 2.342,1068 8.715,1069 26.934,1070 3.795,1071 16.941,1072 20.743,1074 34.629,1075 16.082,1076 1.788,1077 6.768,1078 28.952,1079 3.518,1080 18.217,1081 22.31,1083 37.287,1084 17.278,1085 1.484,1086 5.521,1087 30.976,1088 3.041,1089 19.493,1090 23.87,1092 39.942,1093 18.471,1094 6878,1095 11153,1096 18.898,1097 32.426,1098 44.792,1099 45.55,1100 47.747,1101 44.827,1102 44.771,1103 60.29,1104 0.8,1105 141.702,1106 43.329,1107 5.922,1108 6.757,1109 7.355,1110 5.69,1111 5.651,1112 7.88,1113 0.8,1114 23.154,1115 5.395,1116 14.291,1117 1.545,1118 1.571,1119 1.646,1120 1.546,1121 1.544,1122 2.079,1123 0.028,1124 4.886,1125 1.494,1126 4.194,1127 4.198,1128 4.758,1129 4.144,1130 7.715,1131 4.095,1132 3.951,1133 3.973,1134 3.959,1135 3.91,1136 6.999,1137 3.884,1138 3.703,1139 3.757,1140 3.779,1141 3.647,1142 4.934,1143 3.617,1144 3.658,1145 3.658,1146 3.631,1147 3.461,1148 4.77,1149 3.439,1150 3.363,1151 3.435,1152 3.194,1153 3.23,1154 4.545,1155 3.206,1156 3.277,1157 3.366,1158 3.074,1159 3.096,1160 4.041,1161 3.075,1162 3.067,1163 3.122,1164 2.924,1165 2.864,1166 3.961,1167 2.831,1168 2.854,1169 2.925,1170 2.692,1171 2.735,1172 3.92,1173 2.715,1174 0.174,1175 0.164,1176 0.269,1177 0.158,1178 0.126,1179 5.04,1180 0.168,1181 4.757,1182 0.014,1183 7.804,1184 0.494,1185 4.584,1186 0.117,1187 3.651,1188 4.88,1189 0.4,1190 14.325,1191 3.395,1192 2.042,1193 2.034,1194 2.105,1195 2.109,1196 1.303,1197 2.125,1198 1.891,1199 1.883,1200 1.964,1201 1.977,1202 1.192,1203 2.002,1204 1.619,1205 1.629,1206 1.837,1207 1.832,1208 1.009,1209 1.836,1210 1.572,1211 1.49,1212 1.718,1213 1.718,1214 0.929,1215 1.76,1216 1.385,1217 1.318,1218 1.59,1219 1.56,1220 0.746,1221 1.603,1222 1.218,1223 1.137,1224 1.46,1225 1.45,1226 0.616,1227 1.483,1228 1.043,1229 0.962,1230 1.265,1231 1.328,1232 0.313,1233 1.327,1234 0.886,1235 0.854,1236 1.181,1237 1.1,1238 0.256,1239 1.128,1240 4.078,1242 5.46,1243 2.398,1244 7.059,1245 4.727,1246 8.758,1247 6.88,1248 10.515,1250 5.693,1256 1.621,1261 1.344,1267 30.422,1268 75.634,1269 160.554,1270 206.395,1271 230.046,1272 232.801,1273 232.801,1274 46.806,1275 7.8,1276 55.2,1277 63.58,1278 23,1279 12.944,1280 4.322,1281 3.524,1282 37.913,1283 85,1284 112,1285 0.224,1286 189.131,1287 320.39,1288 453.239,1289 23849,1291 18.474,1292 0.711,1293 0.612,1294 18.724,1295 15.916,1296 12.468,1297 0.43,1298 0.352,1299 8.785,1300 11.314,1301 8.359,1302 6.977,1303 13.257,1304 10.195,1305 11.629,1306 0.264,1307 0.19,1308 12.953,1309 8.366,1310 10.779,1311 0.168,1312 0.106,1313 12.119,1314 6.803,1315 8.811,1316 0.101,1317 0.055,1318 9.965,1319 4.811,1320 7.312,1321 0.062,1322 0.03,1323 8.496,1324 3.562,1325 0.34,1326 85.323,1327 0.23,1328 24.428,1329 0.652,1330 146,1331 395.267,1332 196.745,1333 408.1,1334 572.99,1335 378,1336 181,1337 415.2,1338 243.008,1339 458.9,1340 681.46,1341 432,1342 5}
{0 CHEMBL2333445,1 1.667,2 9.417,3 4.165,4 17.35,5 96.078,6 8.279,7 0.63,8 3.836,9 3.933,10 3.673,11 3.478,12 4.899,13 3.428,14 4.375,15 4.519,16 4.008,17 3.897,18 5.642,19 3.837,20 4.58,21 4.729,22 4.118,23 4.056,24 5.739,25 3.98,26 4.719,27 4.887,28 4.009,29 4.03,30 6.014,31 3.949,32 4.643,33 4.869,34 3.673,35 3.89,36 5.69,37 3.757,38 4.446,39 4.705,40 3.434,41 3.625,42 5.402,43 3.503,44 4.078,45 4.276,46 3.42,47 3.475,48 5.083,49 3.373,50 4.148,51 4.346,52 3.362,53 3.472,54 5.242,55 3.337,56 0.1,57 0.632,58 9.962,59 4.05,60 14.443,61 4.573,62 0.301,63 1.021,64 15.722,65 6.707,66 42.178,67 8.043,68 0.133,69 1.24,70 23.695,71 9.305,72 24.147,73 10.764,74 0.516,75 1.342,76 24.551,77 9.566,78 72.363,79 11.178,80 0.231,81 1.212,82 24.888,83 9.736,84 44.557,85 12.378,86 0.272,87 0.998,88 20.624,89 7.32,90 41.244,91 9.685,92 0.095,93 0.744,94 12.198,95 5.052,96 12.774,97 6.435,98 0.114,99 0.782,100 15.272,101 5.902,102 19.059,103 7.039,104 18,105 41,106 0.289,107 0.614,108 0.752,109 0.826,110 0.838,111 0.838,112 3.23,113 1.025,114 -4.03,115 -3.98,116 -3.77,118 43.9,119 1,120 1,123 1,138 7,139 4,140 2,142 1,147 1,161 1,163 13,166 3,167 3,173 17,177 3,182 1,184 17,187 3,188 7,191 3,193 1,195 12,200 7,205 2,208 8,213 6,218 2,221 5,225 6,230 2,233 4,237 6,242 2,245 2,249 6,254 1,260 708,261 16.143,262 16.143,263 16.143,264 16.143,265 16.143,266 13.984,267 12.808,268 9.048,269 16.385,270 13.21,271 13.21,272 13.21,273 13.21,274 13.21,275 9.753,276 14.383,277 4.157,278 13.627,279 3.69,280 1.815,281 1.022,282 0.592,283 0.525,284 0.525,285 3.922,288 1,289 1,290 496,291 2.828,293 42.533,294 157.106,297 74.406,298 79.124,301 1.5,302 25.842,304 1,305 1,306 1,307 1,308 0.6,309 0.5,310 1,311 1,312 0.87,313 51.5,314 226,315 5.023,316 4.754,317 7.787,318 4.564,319 3.632,320 4.859,321 0.4,322 14.208,323 3.374,324 4.351,325 3.081,326 6.525,327 3.935,328 2.946,329 4.047,331 10.117,332 2.908,333 4.084,334 2.816,335 6.179,336 3.661,337 2.674,338 3.682,340 8.88,341 2.63,342 3.859,343 2.64,344 6.092,345 3.456,346 2.495,347 3.378,349 8.491,350 2.406,351 3.67,352 2.528,353 5.296,354 3.331,355 2.342,356 3.037,358 6.764,359 2.297,360 2.942,361 1.639,362 4.505,363 2.501,364 1.514,365 2.116,367 4.299,368 1.493,369 2.873,370 1.434,371 4.444,372 2.396,373 1.418,374 2.02,376 3.756,377 1.384,378 2.5,379 1.223,380 4.183,381 2,382 1,383 1.5,385 2.592,386 1,387 2.406,388 1,389 3.541,390 1.953,391 0.99,392 1.362,394 2.275,395 0.947,396 2.287,397 0.822,398 3.414,399 1.749,400 0.791,401 1.174,403 2.096,404 0.755,405 2.065,406 0.764,407 3.383,408 1.642,409 0.67,410 0.892,411 1.705,412 0.65,413 1.653,414 0.576,415 2.889,416 1.477,417 0.482,418 0.548,419 0.759,420 0.48,421 1.017,422 -0.044,423 2.737,424 0.69,425 -0.293,426 -0.363,427 -0.65,428 -0.286,429 1,430 -0.266,431 2.483,432 0.394,433 -0.588,434 -0.747,435 -1.382,436 -0.574,437 0.767,438 -0.576,439 2.442,440 0.157,441 -0.831,442 -1.111,443 -2.3,444 -0.816,445 11.7,446 0.488,447 0.739,448 0.031,449 34.5,450 1.438,451 19.5,452 0.813,453 15,454 0.625,455 17.281,456 0.72,457 24.9,458 0.607,459 25.165,460 1.049,461 6.487,462 0.27,463 5.032,464 0.21,465 0.142,466 0.071,467 0.333,471 0.441,472 1.149,473 0.792,474 1.147,475 0.64,476 0.882,477 0.607,478 0.904,479 0.723,480 0.754,481 0.55,482 0.752,483 0.801,484 1.202,485 1.081,486 1.242,487 0.779,488 0.991,489 1.191,490 0.988,491 1.052,492 1.022,493 1.421,494 1.106,495 0.84,496 1.063,497 0.935,498 1.036,499 0.84,500 1.1,501 0.959,502 0.805,503 0.728,504 0.682,505 0.853,506 0.835,507 0.682,508 1.086,509 0.822,510 0.926,511 0.448,512 1.01,513 0.879,514 1.202,515 1.225,516 1.271,517 0.687,518 1.244,519 5.5,520 0.115,521 4.222,522 2.056,523 2.103,524 0.934,525 0.555,526 0.321,527 0.259,528 0.168,529 5982,530 16105,531 2.099,532 41.5,533 5,534 10,535 1,537 1,542 1.67,543 1.933,544 3.165,545 -0.301,547 1,550 68.359,551 1.667,552 3.543,553 4.335,554 4.766,555 4.833,556 4.833,557 2.705,558 4.085,559 4.554,560 3.304,561 912.014,562 7.867,563 10147.8,565 1,567 1,568 219.66,569 1.666,570 4.495,571 0.204,572 0.013,573 0.103,574 0.046,575 0.053,576 0.032,577 0.024,578 0.015,579 0.014,580 0.013,581 0.515,582 0.5,583 1,584 0.813,585 111.758,586 0.193,587 -0.021,588 0.234,589 -0.063,590 -0.147,591 0.037,592 0.274,593 0.167,594 0.169,595 0.201,596 0.237,597 0.159,598 0.02,599 -0.179,600 0.005,601 -0.144,602 0.058,603 -0.017,604 0.073,605 0.002,606 -0.174,607 -0.112,608 -0.053,609 -0.198,610 -0.041,611 -0.154,612 -0.06,613 -0.109,614 -0.026,615 -0.093,616 -0.091,617 0.125,618 0.099,619 0.173,620 -0.063,621 0.161,622 -0.043,623 -0.07,624 0.015,625 -0.019,626 0.016,627 -0.053,628 -0.083,629 -0.194,630 -0.192,631 -0.249,632 0.026,633 -0.265,634 4.454,635 5.519,636 0.792,637 18.25,638 1.005,639 1.116,640 2.798,641 7.827,642 0.705,643 3.332,644 3.738,645 4.094,646 4.382,647 4.654,648 4.828,649 4.984,650 5.106,651 5.209,652 5.283,653 5.401,654 0.668,655 339.45,656 3.332,657 4.92,658 5.82,659 6.744,660 7.663,661 8.594,662 9.521,663 10.456,664 11.387,665 12.325,666 7.3,672 1,674 1,676 1,681 8,682 1,683 1,686 7,688 17,705 41,706 19,707 2,708 27,710 44,711 18,712 15,713 5,714 7,717 4,718 7,721 1,727 1,729 15,730 3,733 2,736 1,737 2,744 1,747 17,748 4,749 1,750 6,751 1,755 3,760 0.5,761 2,771 1,778 1,779 3,782 1,783 1,803 2,805 1,807 2,811 24,815 1,817 1,822 1,833 4.9,836 2,841 12.417,842 8.067,843 5.139,844 2.522,847 3.335,848 1.438,849 1.047,850 3.428,851 10.943,852 3.651,853 4.347,854 4.976,855 5.587,856 6.139,857 6.551,858 7.007,859 7.452,860 7.865,861 8.231,862 1,863 45,864 9.093,865 4.221,866 7.816,867 17.027,868 14.684,869 2.316,870 55.583,873 1,874 188.338,875 120.751,876 34.845,878 44.313,880 5.807,881 114.944,882 232.651,883 34.845,884 17.222,885 2.535,886 81.189,887 60.976,888 37.988,889 11.771,890 176.567,892 188.338,893 149.788,894 44.313,895 5.807,897 188.338,898 44.313,900 30.779,901 102.346,902 22.47,904 188.338,905 79.158,906 120.751,908 5.807,909 188.338,910 22.341,911 94.121,912 16.663,913 60.976,914 188.338,915 79.158,916 120.751,918 0.602,919 0.376,920 0.196,921 0.104,922 23,923 10,924 0.045,925 2,926 2,927 1.211,928 3.482,929 212.806,930 0.211,931 19,932 104.039,935 1,936 15.279,937 5.385,938 2.268,940 62.495,941 15.645,942 4.16,943 2.676,946 5.591,948 16.663,949 388.246,950 37.5,953 -3.538,954 25.039,960 41.222,961 45.74,962 0.311,963 0.661,964 0.809,965 0.89,966 0.902,967 0.902,968 4.922,969 1,970 5.872,971 3.756,972 4.419,973 5.034,974 0.278,975 6.817,976 4.354,977 6.195,978 0.99,979 7.528,980 2.592,981 4.29,982 5.156,984 8.16,985 4.15,986 7.576,987 0.791,988 9.3,989 2.275,990 6.188,991 7.411,992 0.05,993 11.291,994 6.031,995 9.003,996 0.67,997 11.143,998 2.096,999 6.889,1000 8.359,1002 13.453,1003 6.634,1004 10.467,1005 0.482,1006 13.033,1007 1.705,1008 8.321,1009 10.133,1010 0.008,1011 16.218,1012 8.035,1013 11.958,1014 -0.293,1015 14.956,1016 0.759,1017 9.356,1018 11.422,1020 18.682,1021 8.968,1022 13.47,1023 -0.588,1024 16.903,1025 -0.65,1026 10.654,1027 13.042,1028 0.001,1029 21.36,1030 10.213,1031 3.632,1032 -0.831,1033 18.87,1034 -1.382,1035 11.828,1036 14.482,1038 23.939,1039 11.289,1040 2.946,1041 14.208,1042 20.852,1043 -2.3,1044 13.095,1045 16.056,1047 26.595,1048 12.487,1049 2.674,1050 10.117,1051 22.846,1052 4.859,1053 14.329,1054 17.564,1056 29.219,1057 13.628,1058 2.495,1059 8.88,1060 24.851,1061 4.047,1062 15.596,1063 19.128,1065 31.872,1066 14.818,1067 2.342,1068 8.491,1069 26.864,1070 3.682,1071 16.856,1072 20.669,1074 34.513,1075 15.99,1076 1.514,1077 6.764,1078 28.884,1079 3.378,1080 18.129,1081 22.234,1083 37.165,1084 17.183,1085 1.418,1086 4.299,1087 30.909,1088 3.037,1089 19.402,1090 23.792,1092 39.814,1093 18.371,1094 5737,1095 9645,1096 17.8,1097 28.904,1098 42.096,1099 42.613,1100 43.883,1101 41.953,1102 41.91,1103 57.227,1104 0.8,1105 131.886,1106 40.649,1107 5.905,1108 6.754,1109 7.338,1110 5.67,1111 5.632,1112 7.859,1113 0.8,1114 23.026,1115 5.374,1116 12.1,1117 1.559,1118 1.578,1119 1.625,1120 1.554,1121 1.552,1122 2.12,1123 0.03,1124 4.885,1125 1.506,1126 4.181,1127 4.182,1128 4.756,1129 4.136,1130 7.715,1131 4.084,1132 3.95,1133 3.97,1134 3.953,1135 3.91,1136 6.999,1137 3.881,1138 3.697,1139 3.732,1140 3.738,1141 3.648,1142 5.002,1143 3.615,1144 3.569,1145 3.598,1146 3.59,1147 3.334,1148 4.781,1149 3.326,1150 3.362,1151 3.431,1152 3.194,1153 3.231,1154 4.545,1155 3.204,1156 3.087,1157 3.151,1158 2.931,1159 2.873,1160 4.041,1161 2.842,1162 2.854,1163 2.925,1164 2.723,1165 2.735,1166 3.924,1167 2.717,1168 2.847,1169 2.911,1170 2.687,1171 2.726,1172 3.674,1173 2.715,1174 0.186,1175 0.176,1176 0.288,1177 0.169,1178 0.135,1179 5.023,1180 0.18,1181 4.754,1182 0.015,1183 7.787,1184 0.526,1185 4.564,1186 0.125,1187 3.632,1188 4.859,1189 0.4,1190 14.208,1191 3.374,1192 2.037,1193 2.03,1194 2.103,1195 2.099,1196 1.29,1197 2.117,1198 1.887,1199 1.88,1200 1.953,1201 1.97,1202 1.181,1203 1.998,1204 1.627,1205 1.633,1206 1.72,1207 1.755,1208 0.936,1209 1.779,1210 1.396,1211 1.326,1212 1.597,1213 1.64,1214 0.752,1215 1.638,1216 1.256,1217 1.166,1218 1.533,1219 1.532,1220 0.622,1221 1.552,1222 1.196,1223 1.117,1224 1.326,1225 1.431,1226 0.312,1227 1.454,1228 0.9,1229 0.883,1230 1.181,1231 1.107,1232 0.253,1233 1.134,1234 0.886,1235 0.821,1236 1.126,1237 1.062,1238 0.218,1239 1.107,1240 4.007,1242 5.389,1243 2.398,1244 6.986,1245 4.595,1246 8.683,1247 6.653,1248 10.436,1250 3.698,1256 1.004,1261 1.31,1267 27.369,1268 68.359,1269 145.253,1270 177.743,1271 195.395,1272 198.15,1273 198.15,1274 41.004,1275 7.608,1276 66.06,1277 74.44,1278 23,1279 12.823,1280 4.322,1281 3.524,1282 33.864,1283 78,1284 96,1285 0.222,1286 169.946,1287 285.79,1288 406.429,1289 19145,1291 16.897,1292 0.704,1293 0.594,1294 17.147,1295 14.262,1296 11.519,1297 0.427,1298 0.342,1299 7.824,1300 10.398,1301 7.459,1302 6.212,1303 12.308,1304 9.226,1305 10.901,1306 0.266,1307 0.19,1308 12.225,1309 7.791,1310 10.022,1311 0.17,1312 0.107,1313 11.373,1314 6.315,1315 8.186,1316 0.104,1317 0.055,1318 9.351,1319 4.373,1320 6.602,1321 0.063,1322 0.03,1323 7.703,1324 3.074,1325 0.339,1326 79.556,1327 0.237,1328 22.903,1329 0.64,1330 136,1331 379.955,1332 185.718,1333 394.127,1334 549.85,1335 364,1336 168,1337 393.555,1338 228.648,1339 438.527,1340 648.44,1341 412,1342 5.745}
{0 CHEMBL2333595,1 1.709,2 9.037,3 4.332,4 18.769,5 98.802,6 7.86,7 0.5,8 3.974,9 4.098,10 3.586,11 3.46,12 5.119,13 3.47,14 4.53,15 4.718,16 4.012,17 3.875,18 5.69,19 3.87,20 4.738,21 4.93,22 4.111,23 4.015,24 5.914,25 4.003,26 4.836,27 5.042,28 4.113,29 4.031,30 6.124,31 4.009,32 4.828,33 5.055,34 3.989,35 4.025,36 5.891,37 3.974,38 4.79,39 5.007,40 3.922,41 4.028,42 5.847,43 3.955,44 4.821,45 5.05,46 3.852,47 3.993,48 5.893,49 3.907,50 4.786,51 5.025,52 3.742,53 3.868,54 5.933,55 3.776,56 0.083,57 0.815,58 8.796,59 3.847,60 8.571,61 5.022,62 0.443,63 1.301,64 18.387,65 6.699,66 27.144,67 9.087,68 0.449,69 1.532,70 23.488,71 8.359,72 47.33,73 11.11,74 0.726,75 1.581,76 26.839,77 8.314,78 89.681,79 11.507,80 0.624,81 1.559,82 27.319,83 8.51,84 50.488,85 11.933,86 0.524,87 1.492,88 25.487,89 8.828,90 43.216,91 12.352,92 0.537,93 1.51,94 27.367,95 9.467,96 61.111,97 12.957,98 0.559,99 1.386,100 27.765,101 9.417,102 78.244,103 12.776,104 40,105 45,106 0.29,107 0.663,108 0.838,109 0.869,110 0.869,111 0.869,112 3.342,113 0.889,114 -4.88,115 -4.79,116 -4.5,118 40.4,119 2,120 2,123 1,124 1,138 3,139 2,140 1,143 1,147 1,148 2,151 1,152 1,155 1,163 7,166 5,167 2,170 3,173 7,176 2,177 4,180 1,184 3,187 5,188 9,191 1,195 2,199 2,200 7,203 1,208 3,212 1,213 8,218 1,221 6,225 6,230 3,233 5,237 10,242 4,245 3,249 4,254 1,260 1015,261 18.008,262 18.008,263 18.008,264 18.008,265 18.008,266 16.024,267 19.175,268 10.336,269 18.419,270 14.738,271 14.738,272 14.738,273 14.738,274 14.738,275 11.457,276 19.119,277 4.847,278 15.442,279 3.846,280 1.646,281 0.617,282 0.431,283 0.431,284 0.431,285 4.031,288 1,289 1,290 525,291 3,293 87.413,294 135.526,296 71.871,297 87.622,300 118.002,301 1.374,302 35.119,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 60,314 244,315 4.837,316 3.857,317 7.143,318 4.374,319 3.438,320 4.801,321 1.713,322 12.486,323 3.224,324 4.4,325 3.436,326 6.723,327 4.05,328 3.082,329 4.021,330 1.001,331 10.884,332 2.988,333 4.092,334 3.288,335 6.209,336 3.688,337 2.734,338 3.59,339 0.514,340 9.005,341 2.59,342 3.71,343 3.023,344 5.896,345 3.354,346 2.394,347 2.997,349 7.85,350 2.29,351 3.542,352 2.747,353 5.324,354 3.133,355 2.18,356 2.844,358 6.459,359 2.06,360 3.346,361 2.497,362 5.138,363 2.958,364 2.004,365 2.57,367 5.903,368 1.891,369 3.06,370 2.074,371 4.974,372 2.66,373 1.69,374 2.219,376 5.161,377 1.633,378 2.989,379 1.803,380 4.71,381 2.584,382 1.612,383 2.155,385 4.682,386 1.56,387 2.69,388 1.491,389 4.132,390 2.346,391 1.383,392 1.762,394 3.399,395 1.324,396 2.504,397 1.3,398 3.802,399 2.168,400 1.195,401 1.498,403 2.799,404 1.157,405 1.983,406 1.131,407 3.381,408 1.642,409 0.694,410 0.838,411 1.682,412 0.655,413 1.895,414 0.896,415 3.345,416 1.494,417 0.497,418 0.637,419 1.19,420 0.488,421 1.352,422 0.768,423 2.913,424 1.065,425 0.1,426 0.12,427 0.205,428 0.096,429 1.193,430 0.332,431 2.628,432 0.92,433 -0.042,434 -0.05,435 -0.091,436 -0.039,437 1,438 0.146,439 2.427,440 0.531,441 -0.512,442 -0.621,443 -1.241,444 -0.472,445 12.452,446 0.461,447 0.84,448 0.031,449 34.5,450 1.278,451 15.5,452 0.574,453 19,454 0.704,455 23.746,456 0.879,457 29.548,458 0.629,459 27.372,460 1.014,461 6.676,462 0.247,463 6.242,464 0.231,465 0.197,467 0.458,470 1,471 0.658,472 1.412,473 0.699,474 1.188,475 0.514,476 0.992,477 0.521,478 0.883,479 0.641,480 0.826,481 0.463,482 0.772,483 0.89,484 1.153,485 0.801,486 1.027,487 0.874,488 0.918,489 0.881,490 1.006,491 0.956,492 0.97,493 0.787,494 0.969,495 0.916,496 0.942,497 1.04,498 0.936,499 0.745,500 0.983,501 0.735,502 0.899,503 1.046,504 1.066,505 0.635,506 1.113,507 0.882,508 0.972,509 1.09,510 1.131,511 0.869,512 1.153,513 0.999,514 1.064,515 1.057,516 1.185,517 1.074,518 1.157,519 5.5,520 0.062,521 3.778,522 2.986,523 2.319,524 1.452,525 0.841,526 0.72,527 0.384,528 0.28,529 7553,530 22767,531 2.053,532 42.6,533 8,534 8,535 1,537 1,539 2,542 1.709,543 1.862,544 3.131,545 -0.272,547 1,550 80.307,551 1.709,552 3.909,553 4.937,554 5.123,555 5.123,556 5.123,557 2.68,558 4.607,559 4.722,560 3.286,561 1153.54,562 8.247,563 14093.6,565 1,567 1,568 261.066,569 1.53,570 4.656,571 0.183,572 0.006,573 0.084,574 0.061,575 0.049,576 0.035,577 0.022,578 0.021,579 0.013,580 0.014,581 0.487,582 0.17,583 1,584 1.187,585 130.094,586 -0.049,587 -0.308,588 0.057,589 -0.135,590 -0.036,591 -0.038,592 0.209,593 0.142,594 0.226,595 0.154,596 0.104,597 0.177,598 -0.01,599 -0.121,600 0.106,601 -0.024,602 -0.03,603 0.049,604 0.05,605 -0.041,606 -0.022,607 -0.032,608 0.091,609 -0.041,610 -0.081,611 0.052,612 -0.102,613 0.016,614 -0.049,615 -0.028,616 -0.03,617 0.014,618 -0.146,619 -0.079,620 -0.012,621 -0.127,622 -0.062,623 -0.03,624 -0.147,625 -0.132,626 -0.065,627 -0.151,628 -0.036,629 -0.14,630 -0.062,631 -0.177,632 -0.038,633 -0.139,634 2.164,635 5.552,636 0.667,637 23.059,638 1.016,639 1.14,640 3.655,641 13.358,642 0.659,643 3.434,644 3.829,645 4.19,646 4.554,647 4.844,648 5.094,649 5.298,650 5.476,651 5.602,652 5.631,653 5.5,654 0.641,655 369.44,656 3.434,657 5.017,658 5.916,659 6.847,660 7.774,661 8.717,662 9.655,663 10.605,664 11.55,665 12.502,666 10.6,673 2,674 2,676 1,680 1,681 4,682 1,686 6,687 1,688 15,704 1,705 47,706 17,707 1,708 30,710 50,711 19,712 11,713 3,714 3,715 1,717 4,718 7,720 1,721 2,727 2,729 13,730 6,733 2,737 2,740 2,744 1,745 1,747 20,748 6,749 1,750 8,753 2,755 5,758 1,760 0.5,761 2,778 2,779 2,781 1,782 1,785 1,803 2,807 3,809 1,811 27,817 3,818 1,822 1,832 1,833 4.3,836 2,841 14.5,842 9.61,843 5.861,844 3.038,847 3.058,848 1.389,849 1.01,850 4.368,851 10.928,852 3.701,853 4.376,854 5.055,855 5.759,856 6.325,857 6.869,858 7.376,859 7.782,860 8.204,861 8.497,862 1,863 49,864 10.048,865 4.436,866 7.981,867 18.811,868 15.694,869 2.481,870 67,873 1,874 223.651,875 104.298,876 41.106,878 50.29,879 14.96,881 104.298,882 273.941,883 56.066,884 26.047,885 28.31,886 37.476,887 71.78,888 19.964,889 38.848,890 211.88,892 223.651,893 145.404,894 65.25,897 215.069,898 73.832,900 50.432,901 78.187,902 16.786,904 238.611,905 91.396,906 104.298,909 223.651,910 40.775,911 69.833,912 18.011,913 82.035,914 223.651,915 106.356,916 104.298,918 0.593,919 0.36,920 0.204,921 0.12,922 24,923 12,924 0.08,925 4,926 2,927 1.222,928 3.647,929 252.017,930 0.222,931 18,932 128.382,936 17.897,937 6.59,938 2.783,939 0.587,940 103.171,941 6.491,942 4.577,946 2.921,947 2.021,948 18.011,949 434.305,950 39.5,954 24.311,957 -0.974,960 47.745,961 53.572,962 0.308,963 0.704,964 0.889,965 0.922,966 0.922,967 0.922,968 4.982,969 1.612,970 5.948,971 5.161,972 4.511,973 5.063,974 2.123,975 6.866,976 4.416,977 6.234,978 1.383,979 7.576,980 4.682,981 4.29,982 5.112,983 1.305,984 7.953,985 4.138,986 7.587,987 1.195,988 9.304,989 3.399,990 6.205,991 7.377,992 2.693,993 11.135,994 6.006,995 8.979,996 0.694,997 11.089,998 2.799,999 6.792,1000 8.258,1001 2.473,1002 13.052,1003 6.532,1004 10.405,1005 0.497,1006 12.91,1007 1.682,1008 8.227,1009 10.049,1010 3.51,1011 15.774,1012 7.918,1013 11.856,1014 0.1,1015 14.756,1016 1.19,1017 9.169,1018 11.303,1019 3.63,1020 18.032,1021 8.797,1022 13.327,1023 -0.042,1024 16.621,1025 0.205,1026 10.44,1027 12.931,1028 4.453,1029 20.604,1030 10.017,1031 3.438,1032 -0.512,1033 18.501,1034 -0.091,1035 11.535,1036 14.353,1037 4.762,1038 23.005,1039 11.048,1040 3.082,1041 12.486,1042 20.393,1043 -1.241,1044 12.756,1045 15.926,1046 5.462,1047 25.527,1048 12.212,1049 2.734,1050 10.884,1051 22.294,1052 4.801,1053 13.917,1054 17.422,1055 5.873,1056 27.989,1057 13.309,1058 2.394,1059 9.005,1060 24.203,1061 4.021,1062 15.126,1063 18.98,1064 6.504,1065 30.498,1066 14.457,1067 2.18,1068 7.85,1069 26.119,1070 3.59,1071 16.316,1072 20.51,1073 6.97,1074 32.986,1075 15.583,1076 2.004,1077 6.459,1078 28.04,1079 2.997,1080 17.525,1081 22.066,1082 7.562,1083 35.494,1084 16.729,1085 1.69,1086 5.903,1087 29.967,1088 2.844,1089 18.73,1090 23.613,1091 8.059,1092 37.996,1093 17.868,1094 7393,1095 13005,1096 19.422,1097 30.966,1098 46.567,1099 48.522,1100 49.555,1101 46.07,1102 46.01,1103 60.104,1104 6.457,1105 143.41,1106 43.914,1107 5.782,1108 5.857,1109 7.002,1110 5.461,1111 5.438,1112 7.801,1113 3.02,1114 20.276,1115 5.224,1116 16.204,1117 1.552,1118 1.617,1119 1.652,1120 1.536,1121 1.534,1122 2.003,1123 0.215,1124 4.78,1125 1.464,1126 4.215,1127 4.267,1128 4.199,1129 4.037,1130 8.201,1131 4.069,1132 3.898,1133 3.927,1134 3.858,1135 3.798,1136 7.447,1137 3.811,1138 3.703,1139 3.763,1140 3.631,1141 3.528,1142 7.411,1143 3.528,1144 3.577,1145 3.644,1146 3.424,1147 3.36,1148 5.044,1149 3.382,1150 3.229,1151 3.303,1152 3.126,1153 3.025,1154 4.611,1155 3.013,1156 3.182,1157 3.264,1158 3.073,1159 2.979,1160 4.24,1161 2.988,1162 3.141,1163 3.225,1164 2.978,1165 2.867,1166 4.111,1167 2.896,1168 3.009,1169 3.064,1170 2.84,1171 2.844,1172 3.871,1173 2.84,1174 0.161,1175 0.129,1176 0.238,1177 0.146,1178 0.115,1179 4.837,1180 0.16,1181 3.857,1182 0.057,1183 7.143,1184 0.416,1185 4.374,1186 0.107,1187 3.438,1188 4.801,1189 1.713,1190 12.486,1191 3.224,1192 1.943,1193 1.918,1194 2.041,1195 2.043,1196 1.29,1197 2.041,1198 1.725,1199 1.68,1200 1.966,1201 1.96,1202 1.16,1203 1.931,1204 1.717,1205 1.658,1206 1.795,1207 1.912,1208 0.902,1209 1.906,1210 1.467,1211 1.394,1212 1.645,1213 1.731,1214 0.829,1215 1.707,1216 1.383,1217 1.324,1218 1.588,1219 1.603,1220 0.68,1221 1.605,1222 1.202,1223 1.123,1224 1.532,1225 1.419,1226 0.589,1227 1.463,1228 1.1,1229 1.021,1230 1.354,1231 1.406,1232 0.446,1233 1.402,1234 1.004,1235 0.913,1236 1.285,1237 1.256,1238 0.353,1239 1.282,1240 4.111,1242 5.485,1243 3.045,1244 7.055,1245 5.533,1246 8.727,1247 7.758,1248 10.457,1250 5.529,1252 13.552,1256 2.621,1257 2.322,1261 1.33,1267 30.134,1268 80.307,1269 183.707,1270 232.046,1271 240.801,1272 240.801,1273 240.801,1274 53.701,1275 7.869,1276 77.09,1277 77.09,1278 22,1279 12.991,1280 4.17,1281 3.392,1282 39.846,1283 89,1284 93,1285 0.23,1286 183.194,1287 312.65,1288 438.754,1289 24894,1290 2.1,1291 19.292,1292 0.715,1293 0.571,1294 18.422,1295 15.414,1296 12.918,1297 0.431,1298 0.296,1299 8.728,1300 12.277,1301 8.476,1302 7.071,1303 12.524,1304 8.892,1305 12.119,1306 0.269,1307 0.15,1308 11.485,1309 6.751,1310 10.64,1311 0.164,1312 0.076,1313 10.32,1314 4.915,1315 9.354,1316 0.1,1317 0.037,1318 9.011,1319 3.469,1320 7.619,1321 0.06,1322 0.019,1323 7.47,1324 2.411,1325 0.344,1326 82.042,1327 0.227,1328 25.096,1329 0.685,1330 150,1331 510.495,1332 170.665,1333 464.269,1334 633.49,1335 432,1336 185,1337 477.24,1338 206.884,1339 473.461,1340 708.3,1341 445,1342 6.305}
{0 CHEMBL2333602,1 1.574,2 10.971,3 5.289,4 27.974,5 133.737,6 7.793,7 0.625,8 4.223,9 4.348,10 3.843,11 3.759,12 5.339,13 3.757,14 4.765,15 4.942,16 4.259,17 4.193,18 5.853,19 4.174,20 4.973,21 5.157,22 4.352,23 4.345,24 6.052,25 4.309,26 5.096,27 5.295,28 4.375,29 4.387,30 6.284,31 4.34,32 5.109,33 5.331,34 4.299,35 4.393,36 6.095,37 4.324,38 5.096,39 5.305,40 4.265,41 4.41,42 6.083,43 4.332,44 5.143,45 5.362,46 4.244,47 4.418,48 6.113,49 4.329,50 5.176,51 5.404,52 4.234,53 4.393,54 6.171,55 4.298,56 0.068,57 0.978,58 11.332,59 4.9,60 8.393,61 6.383,62 0.422,63 1.595,64 22.457,65 8.527,66 25.9,67 11.605,68 0.31,69 1.862,70 28.407,71 11.076,72 30.16,73 14.938,74 0.64,75 2.05,76 33.587,77 11.711,78 86.006,79 16.035,80 0.487,81 2.062,82 34.889,83 12.27,84 39.282,85 17.252,86 0.414,87 2.037,88 33.525,89 12.412,90 42.226,91 17.042,92 0.375,93 2.08,94 35.998,95 13.411,96 46.69,97 18.508,98 0.418,99 2.092,100 38.27,101 14.194,102 55.454,103 19.618,104 29,105 60,106 0.249,107 0.643,108 0.825,109 0.877,110 0.882,111 0.882,112 3.589,113 0.879,114 -5.04,115 -4.94,116 -4.63,118 43.3,119 2,120 2,123 1,124 1,138 6,139 5,141 1,143 1,147 1,148 3,151 1,152 1,155 1,161 1,163 14,166 5,167 3,170 3,172 2,173 17,176 2,177 6,180 1,182 2,184 14,187 5,188 12,191 1,193 2,195 10,199 2,200 11,203 1,205 2,208 10,212 1,213 14,218 3,221 11,225 12,230 4,233 9,236 1,237 15,240 1,242 5,245 8,248 1,249 10,252 1,254 3,257 5,260 2183,261 23.938,262 23.938,263 23.938,264 23.938,265 23.938,266 20.913,267 17.548,268 13.761,269 24.351,270 19.697,271 19.697,272 19.697,273 19.697,274 19.697,275 14.826,276 17.469,277 6.449,278 20.378,279 4.333,280 1.848,281 0.696,282 0.371,283 0.338,284 0.338,285 4.305,289 1,290 860,291 3.24,293 185.199,294 261.757,296 95.193,297 245.848,300 157.116,301 1.633,302 30.683,305 1,306 0.5,307 1,308 0.8,309 0.5,310 1,311 1,312 0.83,313 75.5,314 384,315 4.838,316 3.857,317 7.144,318 4.376,319 3.439,320 4.803,321 1.713,322 12.49,323 3.234,324 4.587,325 3.437,326 6.753,327 4.157,328 3.168,329 4.515,330 1.001,331 11.027,332 3.129,333 4.384,334 3.291,335 6.67,336 4.012,337 3.043,338 4.021,339 0.514,340 10.731,341 2.953,342 4.09,343 3.135,344 6.213,345 3.678,346 2.718,347 3.601,349 9.034,350 2.596,351 3.764,352 2.906,353 5.905,354 3.385,355 2.415,356 3.172,358 7.931,359 2.339,360 3.653,361 2.617,362 5.719,363 3.287,364 2.309,365 2.927,367 7.541,368 2.248,369 3.431,370 2.368,371 5.27,372 3.037,373 2.068,374 2.688,376 6.214,377 1.989,378 3.096,379 2.08,380 5.107,381 2.705,382 1.729,383 2.324,385 5.375,386 1.685,387 3.06,388 1.836,389 4.835,390 2.638,391 1.673,392 2.296,394 4.953,395 1.604,396 3.048,397 1.55,398 4.601,399 2.537,400 1.549,401 2.218,403 4.44,404 1.53,405 2.956,406 1.518,407 4.156,408 2.475,409 1.486,410 2.158,411 3.548,412 1.468,413 2.632,414 1.491,415 4.015,416 2.346,417 1.383,418 1.669,419 3.353,420 1.324,421 2.5,422 1.222,423 3.776,424 2.074,425 1.102,426 1.5,427 2.689,428 1.069,429 2.468,430 1.089,431 3.406,432 1.97,433 1,434 1.458,435 2.231,436 0.968,437 1.99,438 1,439 3.381,440 1.62,441 0.663,442 0.82,443 1.637,444 0.631,445 16.467,446 0.47,447 0.956,448 0.027,449 47.75,450 1.364,451 23.5,452 0.671,453 24.25,454 0.693,455 32.048,456 0.916,457 36.333,458 0.606,459 39.734,460 1.135,461 9.195,462 0.263,463 7.779,464 0.222,465 0.132,467 0.437,471 0.735,472 1.368,473 0.723,474 1.052,475 0.542,476 0.907,477 0.571,478 0.908,479 0.702,480 0.805,481 0.486,482 0.773,483 0.815,484 1.133,485 0.809,486 1.016,487 0.815,488 0.931,489 0.927,490 1.053,491 0.979,492 0.992,493 0.856,494 0.989,495 0.828,496 0.986,497 0.969,498 0.958,499 0.624,500 0.97,501 0.923,502 1.046,503 1.082,504 1.06,505 0.759,506 1.084,507 0.916,508 1.073,509 1.071,510 1.112,511 0.819,512 1.112,513 0.91,514 1.116,515 1.032,516 1.163,517 0.952,518 1.132,519 6,520 0.218,521 4.889,522 3.299,523 2.562,524 1.724,525 1.11,526 0.87,527 0.584,528 0.388,529 17162,530 44634,531 2.155,532 41.7,533 8,534 11,535 1,536 1,537 2,539 2,542 1.774,543 2,544 3.425,545 0.191,550 94.454,551 1.574,552 4.059,553 5.211,554 5.536,555 5.569,556 5.569,557 2.883,558 5.015,559 5.102,560 3.601,561 2142.85,562 8.994,563 31695.6,568 354.413,569 1.449,570 5.055,571 0.15,572 0.006,573 0.081,574 0.051,575 0.04,576 0.029,577 0.019,578 0.016,579 0.011,580 0.009,581 0.412,582 0.17,583 0.75,584 0.987,585 184.999,586 -0.006,587 -0.186,588 0.069,589 -0.059,590 -0.034,591 0.001,592 0.265,593 0.215,594 0.178,595 0.166,596 0.105,597 0.155,598 0.053,599 -0.086,600 0.095,601 -0.013,602 0.014,603 0.035,604 0.111,605 -0.005,606 -0.035,607 -0.026,608 0.156,609 -0.047,610 -0.005,611 0.04,612 -0.02,613 0.021,614 0.01,615 0.006,616 -0.109,617 -0.019,618 -0.156,619 -0.065,620 -0.057,621 -0.106,622 -0.109,623 -0.082,624 -0.126,625 -0.106,626 -0.064,627 -0.114,628 -0.024,629 -0.164,630 -0.058,631 -0.152,632 -0.034,633 -0.121,634 2.138,635 5.755,636 0.771,637 33.982,638 1.005,639 1.127,640 3.811,641 14.525,642 0.68,643 3.714,644 4.111,645 4.5,646 4.868,647 5.153,648 5.389,649 5.624,650 5.823,651 5.971,652 6.105,653 6.734,654 0.655,655 467.58,656 3.714,657 5.303,658 6.213,659 7.143,660 8.073,661 9.012,662 9.951,663 10.894,664 11.837,665 12.784,666 11.7,673 2,674 3,676 2,680 3,681 8,682 2,683 1,686 7,687 1,688 25,705 60,706 27,707 2,708 40,710 65,711 26,712 18,713 6,714 6,715 1,717 6,718 10,720 1,721 2,727 2,729 20,730 6,733 2,737 2,740 2,747 25,748 6,749 2,750 9,753 2,755 7,758 1,760 0.5,761 2,771 1,778 3,779 3,781 1,782 2,785 1,803 3,807 3,811 35,817 3,818 1,822 1,833 3.3,836 2,841 17.5,842 12,843 7.528,844 3.842,847 5.184,848 1.57,849 1.054,850 5.185,851 14.274,852 4.016,853 4.716,854 5.438,855 6.154,856 6.727,857 7.256,858 7.803,859 8.266,860 8.692,861 9.139,862 1,863 65,864 12.965,865 5.725,866 7.714,867 24.82,868 21.127,869 2.214,870 77.5,874 270.735,875 143.742,876 74.432,878 50.29,881 143.742,882 321.025,883 74.432,884 26.047,885 28.31,886 65.905,887 100.214,888 45.498,889 26.032,890 247.193,892 270.735,893 218.174,894 50.29,897 247.193,898 73.832,900 76.143,901 108.583,902 33.449,904 270.735,905 124.722,906 143.742,909 270.735,910 42.743,911 107.309,912 34.674,913 83.738,914 270.735,915 124.722,916 143.742,918 0.593,919 0.368,920 0.212,921 0.12,922 33,923 15,924 0.077,925 5,926 3,927 1.222,928 4.359,929 373.909,930 0.222,931 27,932 179.525,936 21.928,937 8.276,938 3.37,939 2.708,940 104.873,941 16.395,942 8.944,943 3.042,946 6.11,947 2.151,948 34.674,949 539.199,950 54.5,954 24.888,957 -0.91,960 60.32,961 67.644,962 0.267,963 0.687,964 0.882,965 0.937,966 0.943,967 0.943,968 5.29,969 1.729,970 6.232,971 6.214,972 4.796,973 5.405,974 2.123,975 7.149,976 4.727,977 6.542,978 1.673,979 7.856,980 5.375,981 4.511,982 5.394,983 1.305,984 8.228,985 4.405,986 7.893,987 1.549,988 9.581,989 4.953,990 6.488,991 7.748,992 2.693,993 11.41,994 6.343,995 9.285,996 1.486,997 11.364,998 4.44,999 7.048,1000 8.604,1001 2.473,1002 13.32,1003 6.859,1004 10.713,1005 1.383,1006 13.184,1007 3.548,1008 8.505,1009 10.435,1010 3.51,1011 16.027,1012 8.278,1013 12.166,1014 1.102,1015 15.029,1016 3.353,1017 9.43,1018 11.674,1019 3.63,1020 18.27,1021 9.155,1022 13.638,1023 1,1024 16.893,1025 2.689,1026 10.707,1027 13.316,1028 4.453,1029 20.824,1030 10.391,1031 3.439,1032 0.663,1033 18.769,1034 2.231,1035 11.788,1036 14.724,1037 4.762,1038 23.207,1039 11.422,1040 3.168,1041 12.49,1042 20.657,1043 1.637,1044 13.005,1045 16.298,1046 5.462,1047 25.713,1048 12.594,1049 3.043,1050 11.027,1051 22.553,1052 4.803,1053 14.153,1054 17.781,1055 5.873,1056 28.157,1057 13.691,1058 2.718,1059 10.731,1060 24.457,1061 4.515,1062 15.354,1063 19.332,1064 6.504,1065 30.651,1066 14.843,1067 2.415,1068 9.034,1069 26.366,1070 4.021,1071 16.532,1072 20.849,1073 6.97,1074 33.124,1075 15.968,1076 2.309,1077 7.931,1078 28.28,1079 3.601,1080 17.732,1081 22.394,1082 7.562,1083 35.619,1084 17.116,1085 2.068,1086 7.541,1087 30.199,1088 3.172,1089 18.926,1090 23.928,1091 8.059,1092 38.108,1093 18.255,1094 15825,1095 25752,1096 26.876,1097 40.801,1098 62.393,1099 63.972,1100 64.934,1101 61.684,1102 61.712,1103 83.328,1104 6.457,1105 191.77,1106 59.703,1107 5.784,1108 5.857,1109 7.002,1110 5.463,1111 5.439,1112 7.803,1113 3.02,1114 20.281,1115 5.234,1116 17.617,1117 1.56,1118 1.599,1119 1.623,1120 1.542,1121 1.543,1122 2.083,1123 0.161,1124 4.794,1125 1.493,1126 4.227,1127 4.276,1128 4.208,1129 4.089,1130 7.447,1131 4.106,1132 4.104,1133 4.144,1134 4.073,1135 3.969,1136 7.411,1137 3.997,1138 3.859,1139 3.893,1140 3.813,1141 3.763,1142 5.104,1143 3.772,1144 3.699,1145 3.76,1146 3.622,1147 3.528,1148 5.036,1149 3.527,1150 3.575,1151 3.642,1152 3.423,1153 3.359,1154 4.689,1155 3.381,1156 3.354,1157 3.424,1158 3.263,1159 3.173,1160 4.371,1161 3.186,1162 3.228,1163 3.302,1164 3.122,1165 3.057,1166 4.25,1167 3.043,1168 3.17,1169 3.242,1170 3.05,1171 2.979,1172 4.113,1173 2.992,1174 0.121,1175 0.096,1176 0.179,1177 0.109,1178 0.086,1179 4.838,1180 0.12,1181 3.857,1182 0.043,1183 7.144,1184 0.312,1185 4.376,1186 0.081,1187 3.439,1188 4.803,1189 1.713,1190 12.49,1191 3.234,1192 2.031,1193 2.013,1194 2.107,1195 2.091,1196 1.303,1197 2.097,1198 1.846,1199 1.818,1200 1.986,1201 1.977,1202 1.252,1203 1.971,1204 1.724,1205 1.678,1206 1.928,1207 1.955,1208 1.08,1209 1.922,1210 1.711,1211 1.654,1212 1.795,1213 1.88,1214 0.902,1215 1.887,1216 1.467,1217 1.394,1218 1.646,1219 1.731,1220 0.83,1221 1.707,1222 1.389,1223 1.329,1224 1.589,1225 1.64,1226 0.681,1227 1.612,1228 1.316,1229 1.24,1230 1.532,1231 1.59,1232 0.605,1233 1.583,1234 1.161,1235 1.086,1236 1.423,1237 1.406,1238 0.467,1239 1.42,1240 4.394,1242 5.771,1243 3.434,1244 7.347,1245 5.861,1246 9.021,1247 8.032,1248 10.75,1250 5.856,1256 2.728,1257 2.401,1261 1.38,1267 39.321,1268 94.454,1269 243.545,1270 312.639,1271 332.149,1272 334.149,1273 334.149,1274 55.374,1275 9.091,1276 105.77,1277 105.77,1278 33,1279 13.276,1280 4.807,1281 3.954,1282 46.773,1283 139,1284 133,1285 0.162,1286 236.235,1287 392.6,1288 568.173,1289 124079,1291 24.267,1292 0.693,1293 0.566,1294 24.267,1295 19.793,1296 16.974,1297 0.424,1298 0.293,1299 11.547,1300 16.312,1301 11.227,1302 9.349,1303 16.974,1304 11.717,1305 15.724,1306 0.262,1307 0.149,1308 15.724,1309 8.958,1310 14.426,1311 0.162,1312 0.076,1313 14.426,1314 6.76,1315 12.809,1316 0.099,1317 0.038,1318 12.809,1319 4.84,1320 10.651,1321 0.062,1322 0.02,1323 10.651,1324 3.442,1325 0.249,1326 106.464,1327 0.193,1328 31.405,1329 0.466,1330 200,1331 554.362,1332 219.943,1333 541.56,1334 765.72,1335 508,1336 249,1337 598.006,1338 271.554,1339 604.721,1340 903.8,1341 570,1342 6.795}
{0 CHEMBL2333603,1 1.585,2 8.462,3 4.127,4 17.03,5 98.585,6 7.478,7 0.517,8 3.964,9 4.093,10 3.544,11 3.462,12 5.057,13 3.458,14 4.519,15 4.712,16 3.956,17 3.878,18 5.597,19 3.854,20 4.721,21 4.919,22 4.057,23 4.018,24 5.805,25 3.985,26 4.824,27 5.034,28 4.061,29 4.033,30 6.053,31 3.993,32 4.812,33 5.045,34 3.953,35 4.028,36 5.8,37 3.961,38 4.781,39 5.002,40 3.856,41 4.03,42 5.77,43 3.942,44 4.803,45 5.04,46 3.743,47 3.996,48 5.775,49 3.883,50 4.764,51 5.012,52 3.616,53 3.872,54 5.776,55 3.747,56 0.03,57 0.75,58 9.555,59 3.821,60 5.728,61 5.301,62 0.394,63 1.207,64 19.037,65 6.653,66 23.189,67 9.498,68 0.279,69 1.399,70 23.731,71 8.289,72 27.271,73 11.792,74 0.599,75 1.494,76 27.348,77 8.266,78 80.05,79 12.069,80 0.434,81 1.475,82 27.259,83 8.449,84 31.354,85 12.615,86 0.357,87 1.416,88 25.965,89 8.811,90 35.442,91 12.684,92 0.32,93 1.375,94 27.244,95 9.417,96 41.388,97 13.507,98 0.303,99 1.237,100 27.082,101 9.359,102 48.755,103 13.377,104 29,105 43,106 0.269,107 0.638,108 0.819,109 0.862,110 0.869,111 0.869,112 3.306,113 0.91,114 -4.5,115 -4.43,116 -4.17,118 40.4,119 2,120 2,123 1,124 1,138 4,139 2,143 1,147 1,148 2,151 1,152 1,155 1,163 9,166 5,167 2,170 3,173 9,176 2,177 4,180 1,184 5,187 5,188 9,191 1,195 2,199 2,200 8,203 1,208 3,212 1,213 9,218 1,221 6,225 7,230 3,233 6,237 10,242 4,245 4,249 6,254 2,257 1,260 896,261 17.56,262 17.56,263 17.56,264 17.56,265 17.56,266 15.601,267 17.548,268 10.203,269 17.909,270 14.254,271 14.254,272 14.254,273 14.254,274 14.254,275 11.046,276 17.469,277 4.773,278 14.837,279 3.969,280 1.792,281 0.729,282 0.474,283 0.431,284 0.431,285 3.998,288 1,289 1,290 474,291 2.915,293 82.087,294 127.618,296 67.478,297 82.115,300 110.745,301 1.349,302 24.961,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 56.5,314 220,315 4.836,316 3.857,317 7.143,318 4.373,319 3.437,320 4.801,321 1.713,322 12.486,323 3.223,324 4.385,325 3.435,326 6.721,327 4.039,328 3.072,329 3.977,330 1.001,331 10.874,332 2.977,333 4.044,334 3.278,335 6.2,336 3.649,337 2.69,338 3.527,339 0.514,340 8.953,341 2.563,342 3.682,343 2.91,344 5.888,345 3.332,346 2.366,347 2.941,349 7.813,350 2.277,351 3.444,352 2.598,353 5.273,354 3.046,355 2.078,356 2.704,358 6.225,359 1.997,360 3.101,361 2.081,362 5.107,363 2.71,364 1.735,365 2.296,367 5.372,368 1.69,369 3.06,370 1.836,371 4.833,372 2.638,373 1.674,374 2.218,376 4.945,377 1.605,378 2.86,379 1.493,380 4.137,381 2.414,382 1.414,383 2.014,385 3.345,386 1.414,387 2.632,388 1.491,389 3.77,390 2.346,391 1.383,392 1.669,394 3.002,395 1.324,396 2.468,397 1.22,398 3.578,399 2.074,400 1.102,401 1.458,403 2.605,404 1.069,405 1.976,406 1.088,407 3.381,408 1.616,409 0.66,410 0.814,411 1.622,412 0.628,413 1.889,414 0.86,415 3.344,416 1.492,417 0.497,418 0.635,419 1.19,420 0.487,421 1.298,422 0.724,423 2.842,424 1.062,425 0.094,426 0.11,427 0.181,428 0.091,429 1.09,430 0.167,431 2.569,432 0.813,433 -0.178,434 -0.215,435 -0.388,436 -0.176,437 1,438 0.029,439 2.411,440 0.531,441 -0.513,442 -0.642,443 -1.236,444 -0.515,445 12.167,446 0.468,447 0.734,448 0.028,449 33.75,450 1.298,451 15.5,452 0.596,453 18.25,454 0.702,455 22.335,456 0.859,457 28.033,458 0.596,459 25.644,460 0.986,461 6.472,462 0.249,463 6.052,464 0.233,465 0.178,467 0.427,471 0.739,472 1.605,473 0.756,474 1.19,475 0.534,476 1.002,477 0.506,478 0.901,479 0.698,480 0.823,481 0.457,482 0.792,483 0.829,484 1.208,485 0.777,486 1.028,487 0.829,488 0.916,489 0.979,490 1.08,491 0.985,492 0.971,493 0.878,494 0.968,495 0.883,496 1.008,497 0.987,498 0.94,499 0.638,500 0.957,501 0.963,502 1.043,503 1.127,504 1.071,505 0.786,506 1.108,507 0.968,508 1.021,509 1.142,510 1.133,511 0.893,512 1.156,513 1.003,514 1.092,515 1.069,516 1.186,517 1.098,518 1.156,519 4.5,520 0.037,521 3.556,522 2.799,523 2.128,524 1.341,525 0.751,526 0.592,527 0.331,528 0.193,529 6818,530 17524,531 2.078,532 44.7,533 8,534 9,535 1,537 1,539 2,542 1.7,543 1.902,544 3.053,545 -0.294,547 1,550 74.507,551 1.585,552 3.763,553 4.826,554 5.081,555 5.123,556 5.123,557 2.507,558 4.393,559 4.669,560 3.211,561 1043.7,562 8.141,563 12431.7,565 1,567 1,568 261.066,569 1.513,570 4.611,571 0.155,572 0.006,573 0.083,574 0.06,575 0.047,576 0.033,577 0.02,578 0.019,579 0.012,580 0.011,581 0.446,582 0.17,583 1,584 1.181,585 123.34,586 -0.037,587 -0.373,588 0.07,589 -0.136,590 -0.039,591 -0.037,592 0.337,593 0.247,594 0.215,595 0.159,596 0.123,597 0.157,598 0.081,599 -0.14,600 0.153,601 -0.025,602 0.018,603 0.056,604 0.145,605 -0.008,606 -0.014,607 -0.03,608 0.178,609 -0.044,610 -0.008,611 0.049,612 -0.031,613 0.012,614 0.008,615 -0.004,616 -0.12,617 0.001,618 -0.192,619 -0.079,620 -0.052,621 -0.132,622 -0.134,623 -0.036,624 -0.191,625 -0.131,626 -0.077,627 -0.159,628 -0.068,629 -0.187,630 -0.085,631 -0.178,632 -0.04,633 -0.142,634 2.123,635 5.426,636 0.692,637 21.231,638 1.005,639 1.133,640 3.273,641 10.71,642 0.66,643 3.401,644 3.784,645 4.159,646 4.522,647 4.812,648 5.05,649 5.268,650 5.434,651 5.541,652 5.549,653 5.29,654 0.633,655 351.45,656 3.401,657 4.977,658 5.878,659 6.806,660 7.735,661 8.677,662 9.618,663 10.567,664 11.514,665 12.466,666 10.6,673 2,674 2,676 1,680 1,681 5,682 1,686 5,687 1,688 15,705 47,706 17,707 1,708 29,710 50,711 19,712 11,713 2,714 4,715 1,717 4,718 7,720 1,721 2,727 2,729 13,730 6,733 2,737 2,740 2,744 1,747 21,748 5,749 1,750 7,753 2,755 5,758 1,760 0.5,761 2,778 2,779 2,781 1,782 1,785 1,803 2,807 3,811 26,817 3,818 1,822 1,833 4.3,836 2,841 13.667,842 9.55,843 5.694,844 3.058,847 3.04,848 1.391,849 1.01,850 4.174,851 10.818,852 3.676,853 4.337,854 5.026,855 5.731,856 6.294,857 6.826,858 7.35,859 7.739,860 8.137,861 8.407,862 0.833,863 47,864 9.647,865 4.193,866 7.782,867 18.39,868 15.325,869 2.282,870 59.333,873 1,874 235.422,875 104.653,876 41.106,878 50.29,881 104.653,882 285.712,883 41.106,884 26.047,885 28.31,886 46.952,887 71.78,888 10.843,889 23.888,890 223.651,892 235.422,893 145.76,894 50.29,897 211.88,898 73.832,900 50.432,901 78.542,902 16.786,904 235.422,905 91.396,906 104.653,909 235.422,910 31.654,911 79.309,912 18.011,913 67.075,914 235.422,915 91.396,916 104.653,918 0.588,919 0.362,920 0.207,921 0.121,922 23,923 11,924 0.08,925 4,926 2,927 1.222,928 3.589,929 239.55,930 0.222,931 18,932 120.211,936 17.009,937 6.381,938 2.609,939 0.679,940 88.21,941 10.122,942 4.634,946 4.094,947 2.135,948 18.011,949 431.472,950 38.5,954 24.32,957 -0.873,960 47.232,961 53.232,962 0.285,963 0.677,964 0.869,965 0.915,966 0.922,967 0.922,968 4.947,969 1.414,970 5.9,971 4.945,972 4.466,973 5.024,974 2.123,975 6.819,976 4.382,977 6.19,978 1.383,979 7.527,980 3.345,981 4.205,982 5.027,983 1.305,984 7.915,985 4.068,986 7.537,987 1.102,988 9.257,989 3.002,990 6.155,991 7.331,992 2.693,993 11.106,994 5.968,995 8.927,996 0.66,997 11.046,998 2.605,999 6.735,1000 8.199,1001 2.473,1002 13.036,1003 6.486,1004 10.353,1005 0.497,1006 12.873,1007 1.622,1008 8.185,1009 10.008,1010 3.51,1011 15.759,1012 7.885,1013 11.806,1014 0.094,1015 14.725,1016 1.19,1017 9.128,1018 11.261,1019 3.63,1020 18.024,1021 8.764,1022 13.281,1023 -0.178,1024 16.596,1025 0.181,1026 10.408,1027 12.898,1028 4.453,1029 20.596,1030 9.989,1031 3.437,1032 -0.513,1033 18.48,1034 -0.388,1035 11.506,1036 14.322,1037 4.762,1038 22.999,1039 11.022,1040 3.072,1041 12.486,1042 20.375,1043 -1.236,1044 12.73,1045 15.9,1046 5.462,1047 25.522,1048 12.188,1049 2.69,1050 10.874,1051 22.28,1052 4.801,1053 13.894,1054 17.398,1055 5.873,1056 27.985,1057 13.285,1058 2.366,1059 8.953,1060 24.191,1061 3.977,1062 15.105,1063 18.959,1064 6.504,1065 30.494,1066 14.435,1067 2.078,1068 7.813,1069 26.109,1070 3.527,1071 16.297,1072 20.492,1073 6.97,1074 32.983,1075 15.561,1076 1.735,1077 6.225,1078 28.032,1079 2.941,1080 17.508,1081 22.05,1082 7.562,1083 35.491,1084 16.708,1085 1.674,1086 5.372,1087 29.959,1088 2.704,1089 18.714,1090 23.598,1091 8.059,1092 37.993,1093 17.847,1094 6651,1095 10874,1096 19.016,1097 31.029,1098 44.892,1099 46.677,1100 47.578,1101 44.392,1102 44.404,1103 58.332,1104 6.457,1105 137.223,1106 42.689,1107 5.782,1108 5.857,1109 7.001,1110 5.46,1111 5.437,1112 7.801,1113 3.02,1114 20.272,1115 5.223,1116 14.317,1117 1.548,1118 1.61,1119 1.641,1120 1.531,1121 1.531,1122 2.011,1123 0.223,1124 4.732,1125 1.472,1126 4.215,1127 4.267,1128 4.198,1129 4.037,1130 7.447,1131 4.069,1132 3.889,1133 3.92,1134 3.834,1135 3.798,1136 7.411,1137 3.807,1138 3.701,1139 3.762,1140 3.622,1141 3.528,1142 5.047,1143 3.528,1144 3.576,1145 3.643,1146 3.424,1147 3.36,1148 4.716,1149 3.381,1150 3.229,1151 3.302,1152 3.123,1153 3.026,1154 4.259,1155 3.007,1156 3.171,1157 3.257,1158 3.041,1159 2.979,1160 4.114,1161 2.987,1162 3.14,1163 3.225,1164 2.96,1165 2.867,1166 3.903,1167 2.895,1168 2.998,1169 3.054,1170 2.823,1171 2.844,1172 3.864,1173 2.836,1174 0.167,1175 0.133,1176 0.246,1177 0.151,1178 0.119,1179 4.836,1180 0.166,1181 3.857,1182 0.059,1183 7.143,1184 0.431,1185 4.373,1186 0.111,1187 3.437,1188 4.801,1189 1.713,1190 12.486,1191 3.223,1192 1.948,1193 1.922,1194 2.059,1195 2.042,1196 1.29,1197 2.047,1198 1.726,1199 1.68,1200 1.97,1201 1.96,1202 1.166,1203 1.933,1204 1.718,1205 1.659,1206 1.796,1207 1.912,1208 0.903,1209 1.908,1210 1.467,1211 1.394,1212 1.646,1213 1.731,1214 0.831,1215 1.707,1216 1.387,1217 1.327,1218 1.589,1219 1.603,1220 0.681,1221 1.608,1222 1.207,1223 1.127,1224 1.551,1225 1.418,1226 0.603,1227 1.469,1228 1.101,1229 1.022,1230 1.36,1231 1.406,1232 0.462,1233 1.403,1234 1.006,1235 0.914,1236 1.294,1237 1.256,1238 0.356,1239 1.285,1240 4.078,1242 5.442,1243 3.045,1244 7.011,1245 5.533,1246 8.683,1247 7.758,1248 10.414,1250 5.834,1256 2.852,1257 2.365,1261 1.376,1267 29.751,1268 74.507,1269 176.853,1270 226.801,1271 238.801,1272 240.801,1273 240.801,1274 43.054,1275 7.778,1276 77.09,1277 77.09,1278 22,1279 12.955,1280 4.17,1281 3.392,1282 37.658,1283 83,1284 84,1285 0.235,1286 181.996,1287 306.58,1288 435.831,1289 22283,1291 18.422,1292 0.709,1293 0.581,1294 18.422,1295 15.113,1296 12.524,1297 0.432,1298 0.303,1299 8.653,1300 12.002,1301 8.383,1302 7.021,1303 12.524,1304 8.792,1305 11.485,1306 0.267,1307 0.154,1308 11.485,1309 6.607,1310 10.32,1311 0.164,1312 0.077,1313 10.32,1314 4.872,1315 9.011,1316 0.099,1317 0.038,1318 9.011,1319 3.415,1320 7.47,1321 0.061,1322 0.02,1323 7.47,1324 2.405,1325 0.35,1326 78.813,1327 0.229,1328 24.252,1329 0.706,1330 144,1331 416.384,1332 160.834,1333 402.111,1334 562.12,1335 376,1336 178,1337 433.907,1338 196.974,1339 436.814,1340 654.76,1341 411,1342 6.547}
{0 CHEMBL24828,1 1.715,2 12.633,3 5.087,4 25.882,5 118.666,6 8.804,7 0.515,8 4.096,9 4.21,10 3.809,11 3.624,12 5.183,13 3.608,14 4.654,15 4.831,16 4.207,17 4.022,18 5.692,19 3.985,20 4.896,21 5.087,22 4.303,23 4.185,24 5.942,25 4.112,26 5,27 5.239,28 4.249,29 4.119,30 5.993,31 4.028,32 4.9,33 5.149,34 4.082,35 4.02,36 5.885,37 3.947,38 4.725,39 4.904,40 4.108,41 4.046,42 5.806,43 3.985,44 4.877,45 5.093,46 4.17,47 4.064,48 5.938,49 3.991,50 4.807,51 5.035,52 4.136,53 4.001,54 5.805,55 3.888,56 0.058,57 0.853,58 9.037,59 4.983,60 7.077,61 6.16,62 0.356,63 1.361,64 21.772,65 8.436,66 26.488,67 10.434,68 0.51,69 1.694,70 35.268,71 11.548,72 40.534,73 14.399,74 0.653,75 1.701,76 43.941,77 12.799,78 59.27,79 16.162,80 0.799,81 1.495,82 35.628,83 10.733,84 59.961,85 14.498,86 0.337,87 1.441,88 25.124,89 9.744,90 30.079,91 12.223,92 0.614,93 1.604,94 31.754,95 10.393,96 58.941,97 13.134,98 0.6,99 1.394,100 30.973,101 10.363,102 50.053,103 13.272,104 18,105 46,106 0.284,107 0.627,108 0.815,109 0.857,110 0.857,111 0.857,112 3.44,113 0.972,114 -5,115 -4.9,116 -4.6,117 1,118 40.7,120 2,121 1,123 2,124 3,138 5,139 1,140 5,142 1,143 1,144 1,163 4,166 1,167 8,170 1,172 2,173 5,176 1,177 8,182 3,184 3,187 1,188 3,191 1,193 1,195 2,199 3,200 3,203 1,205 1,208 6,212 1,213 4,216 1,221 6,225 7,233 5,236 1,237 5,242 1,245 1,248 1,249 6,254 2,257 1,260 1484,261 20.334,262 20.334,263 20.334,264 20.334,265 20.334,266 18.245,267 25.914,268 11.895,269 21.132,270 16.224,271 16.224,272 16.224,273 16.224,274 16.224,275 13.028,276 33.11,277 5.597,278 17.491,279 4.04,280 1.974,281 0.836,282 0.584,283 0.584,284 0.584,285 4.138,288 1,289 1,290 819,291 3,294 348.882,298 134.1,301 2.233,302 30.309,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 65.25,314 379,315 4.577,316 3.313,317 6.59,318 4.104,319 3.14,320 4.513,321 0.86,322 10.547,323 3.026,324 4.234,325 3.216,326 6.11,327 3.801,328 2.862,329 3.883,330 0.86,331 8.93,332 2.672,333 3.982,334 2.915,335 5.997,336 3.611,337 2.661,338 3.488,339 0.8,340 8.482,341 2.542,342 3.609,343 2.799,344 5.409,345 3.515,346 2.568,347 2.875,348 0.4,349 7.143,350 2.41,351 3.511,352 2.673,353 5.198,354 3.04,355 2.153,356 2.699,358 6.281,359 1.941,360 3.362,361 2.419,362 4.937,363 3.024,364 2.096,365 2.613,367 5.707,368 1.905,369 3.116,370 2.205,371 4.89,372 2.861,373 1.952,374 2.242,376 5.661,377 1.659,378 2.99,379 2.025,380 4.529,381 2.534,382 1.615,383 2.087,385 4.533,386 1.464,387 2.833,388 1.708,389 4.133,390 2.359,391 1.417,392 1.965,394 3.629,395 1.323,396 2.678,397 1.47,398 3.903,399 2.238,400 1.34,401 1.732,403 3.135,404 1.195,405 2,406 1.099,407 3.414,408 1.984,409 1,410 1,411 2.275,412 0.983,413 1.955,414 1.077,415 3.32,416 1.667,417 0.754,418 0.877,419 1.833,420 0.678,421 1.692,422 0.971,423 3.08,424 1.434,425 0.553,426 0.608,427 1.132,428 0.478,429 1.551,430 0.682,431 2.844,432 1.186,433 0.308,434 0.373,435 0.625,436 0.25,437 1.121,438 0.23,439 2.683,440 0.85,441 -0.085,442 -0.091,443 -0.18,444 -0.078,445 14.886,446 0.496,447 0.729,448 0.024,449 37.5,450 1.25,451 17.5,452 0.583,453 20,454 0.667,455 28.331,456 0.944,457 32.514,458 0.602,459 27.054,460 0.902,461 7.11,462 0.237,463 7.419,464 0.247,465 0.176,467 0.329,470 1,471 0.754,472 1.279,473 0.508,474 0.997,475 0.576,476 0.951,477 1.046,478 0.917,479 0.585,480 0.751,481 0.653,482 0.796,483 0.926,484 1.124,485 0.889,486 1.07,487 0.799,488 1.065,489 1.022,490 1.025,491 0.635,492 0.948,493 0.935,494 0.96,495 0.927,496 0.675,497 0.343,498 0.601,499 0.73,500 0.688,501 0.887,502 1.163,503 0.625,504 1.044,505 0.782,506 1.063,507 1.274,508 1.001,509 0.571,510 0.854,511 1.163,512 0.959,513 0.933,514 0.935,515 0.725,516 0.89,517 0.809,518 1.007,519 6.5,520 0.148,521 3.556,522 1.5,523 2.053,524 0.958,525 0.647,526 0.592,527 0.431,528 0.214,529 12191,530 34433,531 2.087,532 44.4,534 17,536 1,537 1,539 5,542 1.728,543 1.957,544 3.589,545 -0.316,550 92.617,551 1.715,552 3.781,553 4.919,554 5.171,555 5.171,556 5.171,557 3.095,558 4.282,559 4.873,560 3.754,561 1632.89,562 8.504,563 22764.7,568 310.764,569 1.4,570 4.839,571 0.197,572 0.007,573 0.077,574 0.031,575 0.05,576 0.023,577 0.015,578 0.015,579 0.013,580 0.008,581 0.437,582 0.33,583 0.88,584 0.715,585 154.829,586 -0.037,587 -0.203,588 0.01,589 -0.088,590 -0.007,591 -0.023,592 -0.104,593 0.085,594 0.031,595 0.134,596 0.039,597 0.121,598 0.025,599 -0.119,600 -0.05,601 -0.115,602 0.066,603 -0.107,604 0.011,605 -0.089,606 0.051,607 -0.045,608 0.034,609 0.005,610 0.12,611 0.188,612 0.104,613 0.232,614 0.093,615 0.261,616 0.017,617 -0.167,618 -0.035,619 -0.135,620 0.04,621 -0.112,622 -0.132,623 0.013,624 0.007,625 0.016,626 -0.076,627 -0.033,628 0.026,629 -0.014,630 0.033,631 0.025,632 0.012,633 -0.047,634 2.041,635 6.264,636 0.733,637 33.431,638 1.01,639 1.133,640 3.771,641 14.22,642 0.678,643 3.526,644 3.85,645 4.111,646 4.357,647 4.644,648 4.7,649 4.796,650 4.963,651 5.124,652 5.153,653 7.163,654 0.643,655 475.4,656 3.526,657 5.069,658 5.916,659 6.79,660 7.656,661 8.534,662 9.408,663 10.289,664 11.167,665 12.051,666 7.4,669 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,699 1,703 2,704 2,705 54,706 17,707 2,708 33,709 1,710 57,711 22,712 14,713 7,714 5,717 4,718 5,724 2,725 1,727 2,729 14,730 8,731 1,745 1,747 24,748 7,749 1,750 8,751 1,755 4,760 0.75,761 2,774 1,779 4,783 1,800 1,803 3,806 1,807 2,809 1,811 30,817 5,818 1,819 2,821 1,822 1,832 2,833 3.7,838 2,841 15.333,842 10.302,843 6.611,844 3.191,847 3.402,848 1.434,849 0.984,850 6.714,851 11.247,852 3.75,853 4.357,854 4.936,855 5.52,856 6.139,857 6.448,858 6.827,859 7.277,860 7.715,861 7.887,862 0.889,863 48,864 11.116,865 4.707,866 7.714,867 21.322,868 17.465,869 2.214,870 66.417,874 270.735,875 121.617,876 100.66,878 22,879 14.96,881 167.571,882 292.735,883 69.666,884 19.279,885 13.873,886 47.381,887 45.342,888 81.89,889 17.288,890 258.964,891 45.954,892 270.735,893 176.323,894 36.96,896 45.954,897 226.84,898 80.855,900 45.771,901 96.981,902 33.571,903 45.954,904 285.695,905 76.706,906 167.571,909 270.735,910 46.338,911 78.404,912 63.965,913 70.531,914 270.735,915 91.666,916 167.571,918 0.582,919 0.339,920 0.179,921 0.105,922 22,923 10,924 0.105,925 6,926 1,927 1.091,928 4.147,929 266.994,930 0.091,931 22,932 143.207,936 21.29,937 9.461,938 5.045,939 1.424,940 91.666,941 9.969,942 8.662,946 2.39,948 18.011,949 529.972,950 41.5,960 54.523,961 61.161,962 0.298,963 0.657,964 0.855,965 0.899,966 0.899,967 0.899,968 4.992,969 1.615,970 5.9,971 5.661,972 4.533,973 5.043,974 1.656,975 6.693,976 4.393,977 6.191,978 1.417,979 7.449,980 4.533,981 4.111,982 4.902,983 0.325,984 7.545,985 3.884,986 7.497,987 1.34,988 9.094,989 3.629,990 6.116,991 7.263,992 1.308,993 10.62,994 5.877,995 8.837,996 1,997 10.793,998 3.135,999 6.479,1000 7.943,1001 0.268,1002 12.28,1003 6.17,1004 10.209,1005 0.754,1006 12.528,1007 2.275,1008 7.958,1009 9.807,1010 1.064,1011 14.876,1012 7.635,1013 11.604,1014 0.553,1015 14.287,1016 1.833,1017 8.696,1018 10.89,1019 0.188,1020 16.895,1021 8.317,1022 13.017,1023 0.308,1024 16.065,1025 1.132,1026 9.957,1027 12.544,1028 0.862,1029 19.32,1030 9.556,1031 3.14,1032 -0.085,1033 17.857,1034 0.625,1035 10.883,1036 13.831,1037 0.125,1038 21.507,1039 10.435,1040 2.862,1041 10.547,1042 19.661,1043 -0.18,1044 12.051,1045 15.391,1046 0.69,1047 23.87,1048 11.577,1049 2.661,1050 8.93,1051 21.475,1052 4.513,1053 13.072,1054 16.782,1055 0.082,1056 26.137,1057 12.555,1058 2.568,1059 8.482,1060 23.296,1061 3.883,1062 14.203,1063 18.302,1064 0.544,1065 28.48,1066 13.657,1067 2.153,1068 7.143,1069 25.125,1070 3.488,1071 15.273,1072 19.745,1073 0.054,1074 30.786,1075 14.688,1076 2.096,1077 6.281,1078 26.959,1079 2.875,1080 16.392,1081 21.249,1082 0.424,1083 33.126,1084 15.776,1085 1.952,1086 5.707,1087 28.798,1088 2.699,1089 17.487,1090 22.72,1091 0.035,1092 35.451,1093 16.835,1094 11623,1095 19846,1096 22.076,1097 36.597,1098 48.972,1099 49.994,1100 50.647,1101 49.003,1102 48.839,1103 61.91,1104 5.84,1105 139.826,1106 45.051,1107 5.577,1108 5.313,1109 6.117,1110 5.183,1111 5.14,1112 7.513,1113 1.72,1114 17.498,1115 5.026,1116 14.814,1117 1.484,1118 1.515,1119 1.535,1120 1.485,1121 1.48,1122 1.876,1123 0.177,1124 4.237,1125 1.365,1126 4.081,1127 4.109,1128 6.88,1129 3.98,1130 8.201,1131 3.993,1132 3.887,1133 3.934,1134 4.05,1135 3.836,1136 5.1,1137 3.824,1138 3.868,1139 3.907,1140 3.771,1141 3.724,1142 4.764,1143 3.719,1144 3.5,1145 3.54,1146 3.741,1147 3.278,1148 4.65,1149 3.312,1150 3.344,1151 3.42,1152 3.435,1153 3.11,1154 4.483,1155 3.114,1156 3.183,1157 3.255,1158 3.183,1159 2.986,1160 4.319,1161 2.98,1162 3.111,1163 3.206,1164 3.022,1165 2.941,1166 4.12,1167 2.91,1168 3.061,1169 3.135,1170 2.882,1171 2.873,1172 4.03,1173 2.855,1174 0.139,1175 0.1,1176 0.2,1177 0.124,1178 0.095,1179 4.577,1180 0.137,1181 3.313,1182 0.026,1183 6.59,1184 0.32,1185 4.104,1186 0.092,1187 3.14,1188 4.513,1189 0.86,1190 10.547,1191 3.026,1192 2.006,1193 1.985,1194 2.076,1195 2.128,1196 1.444,1197 2.109,1198 1.861,1199 1.839,1200 2.039,1201 2.028,1202 1.181,1203 2.041,1204 1.842,1205 1.788,1206 1.91,1207 1.94,1208 1.044,1209 1.941,1210 1.397,1211 1.352,1212 1.647,1213 1.661,1214 0.843,1215 1.646,1216 1.303,1217 1.224,1218 1.592,1219 1.576,1220 0.825,1221 1.587,1222 1.153,1223 1.069,1224 1.513,1225 1.412,1226 0.587,1227 1.429,1228 1.143,1229 1.064,1230 1.425,1231 1.376,1232 0.541,1233 1.428,1234 1.005,1235 0.937,1236 1.328,1237 1.241,1238 0.398,1239 1.28,1240 4.205,1242 5.525,1244 7.045,1246 8.656,1248 10.315,1249 3.268,1250 3.754,1252 14.264,1256 5.092,1257 3.053,1258 11.67,1260 0.532,1261 2.34,1267 34.718,1268 92.617,1269 204.158,1270 265.645,1271 279.254,1272 279.254,1273 279.254,1274 53.656,1275 7.845,1276 59.51,1277 59.51,1278 24,1279 12.585,1280 4.17,1281 3.248,1282 47.065,1283 129,1284 142,1285 0.179,1286 217.091,1287 372.83,1288 521.462,1289 29174,1290 3.7,1291 21.087,1292 0.703,1293 0.619,1294 21.217,1295 18.577,1296 14.529,1297 0.44,1298 0.324,1299 9.757,1300 13.258,1301 9.456,1302 7.827,1303 14.696,1304 10.687,1305 13.109,1306 0.285,1307 0.184,1308 13.396,1309 8.465,1310 11.028,1311 0.184,1312 0.099,1313 11.162,1314 5.911,1315 8.937,1316 0.116,1317 0.051,1318 8.796,1319 3.924,1320 7.643,1321 0.074,1322 0.029,1323 7.975,1324 2.944,1325 0.283,1326 100.45,1327 0.213,1328 28.486,1329 0.489,1330 158,1331 519.505,1332 241.478,1333 505.9,1334 674.14,1335 474,1336 185,1337 462.01,1338 232.1,1339 475.659,1340 694.84,1341 444,1342 6.737}
{0 CHEMBL249097,1 1.627,2 10.36,3 3.433,4 11.783,5 95.27,6 7.986,7 0.667,8 3.85,9 3.974,10 3.456,11 3.375,12 5.105,13 3.381,14 4.28,15 4.433,16 3.8,17 3.721,18 5.577,19 3.705,20 4.514,21 4.694,22 3.811,23 3.811,24 5.726,25 3.779,26 4.567,27 4.791,28 3.706,29 3.748,30 5.72,31 3.686,32 4.519,33 4.764,34 3.672,35 3.689,36 5.662,37 3.638,38 4.405,39 4.609,40 3.611,41 3.637,42 5.62,43 3.595,44 4.376,45 4.609,46 3.532,47 3.556,48 5.581,49 3.492,50 4.243,51 4.485,52 3.33,53 3.396,54 5.408,55 3.33,56 0.096,57 0.653,58 7.645,59 3.231,60 13.784,61 3.992,62 0.212,63 0.976,64 12.61,65 5.502,66 26.497,67 7.113,68 0.268,69 1.151,70 17.519,71 6.238,72 36.742,73 8.12,74 0.382,75 1.156,76 20.453,77 6.745,78 44.437,79 9.342,80 0.391,81 1.086,82 20.576,83 6.289,84 46.706,85 8.971,86 0.347,87 0.99,88 16.981,89 5.502,90 48.649,91 7.331,92 0.353,93 0.945,94 17.202,95 5.67,96 43.668,97 8.035,98 0.341,99 0.805,100 15.476,101 4.663,102 36.527,103 6.635,104 18,105 37,106 0.283,107 0.642,108 0.801,109 0.909,110 0.909,111 0.909,112 3.266,113 0.842,114 -3.58,115 -3.55,116 -3.38,118 42.9,119 1,138 8,139 2,140 3,141 1,143 1,146 1,151 1,156 1,157 1,158 1,163 7,166 1,167 3,169 1,170 4,172 8,173 8,175 1,177 2,182 7,184 5,186 2,188 7,191 1,192 2,193 5,195 2,197 1,200 7,203 1,204 1,205 2,207 1,208 2,211 1,213 5,216 1,218 5,221 3,224 2,225 2,227 2,228 2,230 4,233 2,237 1,240 1,241 1,242 2,245 5,249 1,252 1,253 1,254 1,256 1,257 8,259 1,260 895,261 16.602,262 16.602,263 16.602,264 16.602,265 16.602,266 14.181,267 24.548,268 9.845,269 16.868,270 13.345,271 13.345,272 13.345,273 13.345,274 13.345,275 9.785,276 41.929,277 4.72,278 13.819,279 3.766,280 1.697,281 0.78,282 0.161,283 0.161,284 0.161,285 3.947,287 1,288 1,289 1,290 547,291 2.915,294 252.639,301 1.706,302 25.736,304 1,305 1,306 1,307 1,308 0.6,310 1,311 1,312 0.8,313 54.5,314 259,315 4.271,316 3.503,317 6.104,318 3.877,319 2.911,320 3.911,321 0.98,322 8.94,323 2.828,324 4.208,325 3.082,326 5.984,327 3.828,328 2.835,329 3.812,330 0.4,331 8.535,332 2.812,333 4.027,334 2.862,335 5.632,336 3.58,337 2.635,338 3.624,339 0.4,340 7.75,341 2.472,342 3.63,343 2.563,344 5.256,345 3.258,346 2.289,347 2.947,349 6.639,350 2.213,351 3.445,352 2.379,353 4.922,354 3.04,355 2.086,356 2.761,358 5.693,359 1.98,360 3.26,361 2.134,362 4.817,363 2.837,364 1.888,365 2.514,367 5.378,368 1.783,369 2.85,370 1.742,371 4.157,372 2.414,373 1.43,374 1.979,376 3.732,377 1.405,378 2.79,379 1.526,380 3.763,381 2.312,382 1.318,383 1.888,385 3.012,386 1.304,387 2.647,388 1.21,389 3.493,390 2.111,391 1.167,392 1.714,394 2.601,395 1.099,396 2.53,397 1.157,398 3.436,399 2.016,400 1,401 1.475,403 2.323,404 1.01,405 1.556,406 0.583,407 3.002,408 1.252,409 0.293,410 0.356,411 0.682,412 0.279,413 1.294,414 0.158,415 2.854,416 0.94,421 1.103,422 0.131,423 2.369,424 0.754,425 -0.177,426 -0.215,427 -0.45,428 -0.163,429 0.787,430 0.092,431 2.254,432 0.325,433 -0.648,434 -0.86,435 -1.564,436 -0.619,437 0.691,438 -0.451,439 2,440 0.23,441 -0.74,442 -0.953,443 -1.962,444 -0.704,445 11.667,446 0.467,447 0.664,448 0.027,449 37.25,450 1.49,451 21,452 0.84,453 16.25,454 0.65,455 15.605,456 0.624,457 26.133,458 0.622,459 27.191,460 1.088,461 7.604,462 0.304,463 4.404,464 0.176,465 0.134,467 0.343,471 0.973,472 1.184,473 0.789,474 0.897,475 0.882,476 0.812,477 0.522,478 1.076,479 0.732,480 1.063,481 0.464,482 0.964,483 1.18,484 1.313,485 1.099,486 1.153,487 1.028,488 1.114,489 0.95,490 1.115,491 1.052,492 1.078,493 0.908,494 1.079,495 0.948,496 0.903,497 0.891,498 0.799,499 0.789,500 0.812,501 1.236,502 1.102,503 1.112,504 0.974,505 1.153,506 1.008,507 0.742,508 0.99,509 0.939,510 0.994,511 0.617,512 0.996,513 0.976,514 0.87,515 1.051,516 0.874,517 0.803,518 0.939,519 6,520 0.116,521 2.222,522 1.688,523 1.258,524 0.597,525 0.464,526 0.309,527 0.214,528 0.14,529 7253,530 22175,531 2.038,532 40.5,533 3,534 8,536 1,537 5,542 1.678,543 1.899,544 3.384,545 2.607,547 1,548 1,550 68.322,551 1.627,552 3.695,553 4.612,554 5.231,555 5.231,556 5.231,557 2.759,558 4.324,559 4.618,560 3.551,561 1065.32,562 7.975,563 13238.8,564 1,565 1,567 1,568 226.477,569 1.44,570 4.569,571 0.222,572 0.007,573 0.06,574 0.047,575 0.041,576 0.019,577 0.016,578 0.012,579 0.01,580 0.008,581 0.442,582 0.17,583 1,584 0.795,585 121.779,586 -0.179,587 -0.014,588 -0.013,589 0.092,590 -0.195,591 0.079,592 0.223,593 0.034,594 0.093,595 -0.066,596 0.178,597 -0.031,598 -0.212,599 -0.256,600 -0.198,601 -0.194,602 -0.14,603 -0.194,604 -0.018,605 -0.114,606 -0.078,607 -0.129,608 -0.058,609 -0.12,610 -0.026,611 0.084,612 0.119,613 0.145,614 0.019,615 0.163,616 -0.181,617 -0.079,618 -0.154,619 -0.028,620 -0.168,621 -0.076,622 0.144,623 0.001,624 0.048,625 -0.04,626 0.137,627 -0.021,628 -0.007,629 0.122,630 -0.042,631 0.061,632 0.023,633 0.024,634 2.167,635 4.255,636 0.72,637 21.456,638 1.011,639 1.129,640 2.347,641 5.507,642 0.679,643 3.332,644 3.638,645 3.829,646 4.043,647 4.263,648 4.205,649 4.263,650 4.357,651 4.431,652 4.477,653 6.403,654 0.659,655 335.4,656 3.332,657 4.86,658 5.68,659 6.538,660 7.375,661 8.232,662 9.074,663 9.932,664 10.775,665 11.633,666 11.9,673 1,674 2,676 2,681 9,682 2,686 7,688 18,693 1,699 2,702 1,705 42,706 19,707 2,708 27,710 44,711 18,712 16,713 5,714 7,715 1,717 3,718 3,721 1,729 17,730 1,733 1,737 1,740 1,743 1,744 1,747 17,748 7,749 5,750 7,755 5,760 1,761 2,774 1,779 3,803 3,807 1,811 25,812 1,816 1,818 2,833 4.8,835 1,836 1,841 13.167,842 7.6,843 5.472,844 2.211,847 3.437,848 1.487,849 0.977,850 4.933,851 10.491,852 3.638,853 4.241,854 4.751,855 5.284,856 5.82,857 5.879,858 6.176,859 6.559,860 6.938,861 7.278,862 0.857,863 36,864 9.147,865 3.832,866 7.953,867 16.974,868 13.383,869 2.453,870 61.333,873 1,874 141.253,875 114.499,876 102.49,878 67.828,881 114.499,882 209.081,883 102.49,884 8.825,885 32.897,886 75.81,887 117.875,888 56.954,889 4.227,890 129.482,892 141.253,893 216.989,894 67.828,897 141.253,898 67.828,900 88.69,901 94.727,902 33.571,904 141.253,905 170.318,906 114.499,909 141.253,910 20.816,911 93.683,912 36.022,913 134.297,914 141.253,915 170.318,916 114.499,918 0.582,919 0.324,920 0.167,921 0.096,922 17,923 8,924 0.114,925 5,927 1,928 3.724,929 197.725,931 18,932 116.096,936 16.894,937 7.3,938 4.321,940 170.318,941 15.16,942 8.54,946 3.877,948 111.602,949 426.07,950 37,954 11.255,957 -0.501,960 42.465,961 47.402,962 0.302,963 0.685,964 0.855,965 0.97,966 0.97,967 0.97,968 4.848,969 1.318,970 5.659,971 3.732,972 4.317,973 4.927,974 1.27,975 6.409,976 4.25,977 6.061,978 1.167,979 7.183,980 3.012,981 3.892,982 4.677,984 7.144,985 3.791,986 7.356,987 1,988 8.798,989 2.601,990 5.861,991 7.089,992 1.08,993 10.179,994 5.729,995 8.681,996 0.293,997 10.462,998 2.323,999 6.176,1000 7.561,1002 11.669,1003 6.02,1004 10.029,1006 12.158,1007 0.682,1008 7.645,1009 9.483,1010 1.025,1011 14.205,1012 7.461,1013 11.395,1014 -0.177,1015 13.874,1017 8.316,1018 10.316,1020 16.037,1021 8.113,1022 12.774,1023 -0.648,1024 15.605,1025 -0.45,1026 9.562,1027 11.999,1028 0.994,1029 18.366,1030 9.334,1031 2.911,1032 -0.74,1033 17.347,1034 -1.564,1035 10.415,1036 13.035,1038 20.366,1039 10.17,1040 2.835,1041 8.94,1042 19.097,1043 -1.962,1044 11.555,1045 14.583,1046 0.967,1047 22.604,1048 11.287,1049 2.635,1050 8.535,1051 20.854,1052 3.911,1053 12.503,1054 15.739,1056 24.688,1057 12.217,1058 2.289,1059 7.75,1060 22.617,1061 3.812,1062 13.592,1063 17.207,1064 0.942,1065 26.885,1066 13.287,1067 2.086,1068 6.639,1069 24.385,1070 3.624,1071 14.589,1072 18.437,1074 29.012,1075 14.266,1076 1.888,1077 5.693,1078 26.157,1079 2.947,1080 15.656,1081 19.857,1082 0.917,1083 31.192,1084 15.314,1085 1.43,1086 5.378,1087 27.932,1088 2.761,1089 16.679,1090 21.132,1092 33.34,1093 16.318,1094 7095,1095 12526,1096 17.8,1097 28.506,1098 40.278,1099 40.641,1100 41.061,1101 39.783,1102 39.702,1103 53.963,1104 3.56,1105 110.57,1106 38.37,1107 5.068,1108 5.503,1109 5.659,1110 4.95,1111 4.911,1112 6.911,1113 1.96,1114 15.19,1115 4.828,1116 13.058,1117 1.492,1118 1.505,1119 1.521,1120 1.473,1121 1.47,1122 1.999,1123 0.132,1124 4.095,1125 1.421,1126 3.991,1127 4.03,1128 3.944,1129 3.89,1130 7.437,1131 3.896,1132 3.915,1133 3.942,1134 3.862,1135 3.842,1136 6.471,1137 3.843,1138 3.767,1139 3.813,1140 3.722,1141 3.611,1142 5.029,1143 3.635,1144 3.355,1145 3.407,1146 3.286,1147 3.099,1148 4.897,1149 3.139,1150 3.204,1151 3.27,1152 3.061,1153 3.028,1154 4.674,1155 3.02,1156 3.09,1157 3.174,1158 2.976,1159 2.878,1160 4.622,1161 2.894,1162 2.971,1163 3.053,1164 2.847,1165 2.792,1166 4.079,1167 2.794,1168 2.717,1169 2.806,1170 2.562,1171 2.524,1172 3.97,1173 2.53,1174 0.158,1175 0.13,1176 0.226,1177 0.144,1178 0.108,1179 4.271,1180 0.145,1181 3.503,1182 0.036,1183 6.104,1184 0.331,1185 3.877,1186 0.105,1187 2.911,1188 3.911,1189 0.98,1190 8.94,1191 2.828,1192 1.926,1193 1.897,1194 2.024,1195 2.055,1196 1.133,1197 2.043,1198 1.903,1199 1.879,1200 2.005,1201 2.001,1202 1.091,1203 2.003,1204 1.704,1205 1.656,1206 1.801,1207 1.876,1208 0.782,1209 1.86,1210 1.227,1211 1.184,1212 1.527,1213 1.544,1214 0.577,1215 1.506,1216 1.201,1217 1.133,1218 1.403,1219 1.435,1220 0.295,1221 1.467,1222 1.025,1223 0.954,1224 1.236,1225 1.291,1226 0.244,1227 1.278,1228 0.938,1229 0.869,1230 1.18,1231 1.178,1232 0.221,1233 1.183,1234 0.698,1235 0.615,1236 1.027,1237 0.98,1239 0.992,1240 4.007,1242 5.313,1244 6.804,1246 8.375,1248 9.987,1250 1.928,1254 5.284,1255 9.613,1257 6.176,1267 27.697,1268 68.322,1269 155.193,1270 193.722,1271 219.722,1272 219.722,1273 219.722,1274 40.438,1275 7.054,1276 113.16,1277 113.16,1278 18,1279 12.188,1280 4.322,1281 3.459,1282 41.855,1283 97,1284 80,1285 0.211,1286 173.942,1287 296.36,1288 416.179,1289 11013,1291 17.811,1292 0.712,1293 0.541,1294 17.811,1295 13.523,1296 12.008,1297 0.445,1298 0.281,1299 7.474,1300 11.571,1301 7.283,1302 6.097,1303 12.008,1304 7.577,1305 11.062,1306 0.299,1307 0.148,1308 11.062,1309 5.46,1310 8.585,1311 0.191,1312 0.079,1313 8.585,1314 3.543,1315 6.861,1316 0.123,1317 0.04,1318 6.861,1319 2.25,1320 5.749,1321 0.082,1322 0.022,1323 5.749,1324 1.51,1325 0.335,1326 75.17,1327 0.237,1328 24.443,1329 0.571,1330 128,1331 395.153,1332 141.449,1333 390.503,1334 529.93,1335 362,1336 146,1337 392.3,1338 157.982,1339 399.756,1340 574.48,1341 375,1342 9}
{0 CHEMBL249697,1 1.437,2 7.316,3 1.761,4 3.1,5 76.664,6 7.093,7 0.714,8 3.69,9 3.839,10 3.224,11 3.19,12 4.767,13 3.172,14 4.205,15 4.411,16 3.589,17 3.567,18 5.202,19 3.531,20 4.386,21 4.615,22 3.648,23 3.681,24 5.395,25 3.624,26 4.446,27 4.695,28 3.586,29 3.681,30 5.378,31 3.609,32 4.341,33 4.568,34 3.465,35 3.618,36 5.314,37 3.534,38 4.36,39 4.611,40 3.224,41 3.548,42 5.303,43 3.415,44 4.271,45 4.552,46 2.73,47 3.342,48 5.081,49 3.119,50 4.082,51 4.442,52 2.203,53 2.933,54 4.749,55 2.65,56 0.039,57 0.587,58 7.979,59 2.761,60 7.893,61 4.178,62 0.141,63 0.905,64 14.364,65 4.628,66 14.081,67 7.141,68 0.278,69 1.037,70 17.776,71 5.514,72 24.113,73 8.461,74 0.179,75 1.047,76 19.171,77 5.597,78 21.424,79 9.019,80 0.184,81 0.966,82 16.879,83 5.178,84 20.287,85 8.103,86 0.242,87 0.914,88 17.665,89 5.385,90 25.449,91 8.387,92 0.123,93 0.74,94 16.434,95 5.646,96 19.862,97 8.709,98 0.137,99 0.509,100 14.76,101 4.658,102 20.489,103 7.463,104 13,105 30,106 0.261,107 0.653,108 0.786,109 0.86,110 0.86,111 0.86,112 3.013,113 0.913,114 -2.81,115 -2.82,116 -2.73,118 38.9,119 2,124 2,138 3,139 1,141 1,142 1,143 1,148 2,154 1,156 1,157 1,158 1,163 4,166 1,167 3,170 1,173 4,176 2,177 5,180 2,181 1,183 1,184 2,188 4,193 1,195 1,200 4,202 1,203 1,205 3,208 2,213 2,215 2,216 2,218 1,221 2,230 2,235 1,242 3,247 3,254 1,259 1,260 358,261 12.939,262 12.939,263 12.939,264 12.939,265 12.939,266 11.187,267 12.293,268 7.685,269 13.229,270 10.341,271 10.341,272 10.341,273 10.341,274 10.341,275 7.647,276 14.709,277 3.61,278 10.859,279 3.733,280 1.576,281 0.841,282 0.431,283 0.431,284 0.431,285 3.69,287 1,288 1,289 1,290 296,291 2.55,293 28.063,294 70.074,297 51.709,298 59.623,301 1.208,302 11.761,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 40.5,314 139,315 4.786,316 3.354,317 6.991,318 4.251,319 3.312,320 4.874,321 0.4,322 11.909,323 3.111,324 4.078,325 2.707,326 6.007,327 3.594,328 2.62,329 3.81,331 8.489,332 2.547,333 3.766,334 2.562,335 5.683,336 3.331,337 2.395,338 3.245,340 7.507,341 2.241,342 3.47,343 2.232,344 4.957,345 3.054,346 2.07,347 2.848,349 5.788,350 2.034,351 3.011,352 1.764,353 4.602,354 2.535,355 1.573,356 2.238,358 4.435,359 1.511,360 2.685,361 1.614,362 4.164,363 2.463,364 1.515,365 1.722,367 3.518,368 1.433,369 2.353,370 1.213,371 3.691,372 2.02,373 1.083,374 1.329,376 2.338,377 1.012,378 2.33,379 0.835,380 3.385,381 1.776,382 0.832,383 1.246,385 2.164,386 0.784,387 1.567,388 0.603,389 2.86,390 1.269,391 0.345,392 0.397,394 0.647,395 0.318,396 1.128,397 0.14,398 2.632,399 0.842,400 -0.11,401 -0.133,403 -0.219,404 -0.104,405 0.994,406 -0.179,407 2.344,408 0.555,409 -0.4,410 -0.522,411 -1.034,412 -0.381,413 0.575,414 -0.498,415 2.288,416 0.218,417 -0.737,418 -0.87,419 -1.65,420 -0.703,421 0.439,422 -0.809,423 2,424 0.066,425 -0.916,426 -1.245,427 -2.54,428 -0.896,429 0.13,430 -1.011,431 1.818,432 -0.204,433 -1.164,434 -1.381,435 -2.702,436 -1.116,437 -0.011,438 -1.169,439 1.478,440 -0.287,441 -1.265,442 -1.761,443 -3.54,444 -1.233,445 9,446 0.474,447 0.469,448 0.025,449 25.5,450 1.342,451 12.5,452 0.658,453 13,454 0.684,455 13.699,456 0.721,457 20.4,458 0.567,459 16.112,460 0.848,461 5.03,462 0.265,463 4.173,464 0.22,465 0.156,467 0.378,471 1.113,472 1.453,473 0.855,474 1.086,475 1.211,476 0.96,477 0.936,478 1.179,479 0.767,480 0.929,481 0.815,482 0.842,483 0.988,484 0.882,485 0.914,486 0.865,487 0.84,488 0.877,489 1.231,490 1.109,491 0.933,492 0.908,493 0.972,494 0.885,495 1.295,496 1.12,497 1.167,498 1.087,499 0.894,500 1.106,501 1.327,502 0.962,503 1.374,504 1.16,505 1.207,506 1.255,507 0.85,508 1.2,509 1.306,510 1.436,511 1.055,512 1.433,513 0.595,514 0.749,515 0.823,516 0.876,517 0.826,518 0.88,519 3.5,521 2.222,522 1.375,523 1.454,524 0.656,525 0.418,526 0.174,527 0.057,528 0.036,529 2834,530 6570,531 2.081,532 47.2,533 3,534 7,536 1,537 3,538 3,542 1.611,543 1.932,544 2.825,545 1.148,547 1,548 1,550 51.718,551 1.437,552 3.594,553 4.329,554 4.739,555 4.739,556 4.739,557 2.479,558 3.827,559 4.213,560 2.931,561 501.252,562 7.219,563 4721,564 1,565 1,567 1,568 186.117,569 1.462,570 4.171,571 0.167,573 0.074,574 0.044,575 0.05,576 0.026,577 0.023,578 0.019,579 0.011,580 0.018,581 0.433,582 0.67,583 1,584 1.315,585 79.957,586 -0.109,587 -0.209,588 0.048,589 -0.032,590 -0.217,591 0.019,592 0.126,593 -0.054,594 0.181,595 0.071,596 0.063,597 0.124,598 0.179,599 0.219,600 0.055,601 0.096,602 0.072,603 0.064,604 -0.146,605 -0.077,606 0.041,607 0.052,608 -0.075,609 0.069,610 -0.202,611 -0.031,612 -0.214,613 -0.116,614 -0.036,615 -0.158,616 -0.233,617 0.075,618 -0.411,619 -0.21,620 -0.202,621 -0.315,622 -0.11,623 -0.311,624 -0.358,625 -0.435,626 -0.137,627 -0.43,628 0.116,629 -0.049,630 0.189,631 0.085,632 0.185,633 0.137,634 0.931,635 1.645,636 0.684,637 12.554,638 0.995,639 1.138,640 1.582,641 2.504,642 0.655,643 3.091,644 3.434,645 3.761,646 4.111,647 4.394,648 4.511,649 4.625,650 4.718,651 4.635,652 4.419,653 4.312,654 0.619,655 255.36,656 3.091,657 4.635,658 5.509,659 6.418,660 7.324,661 8.245,662 9.162,663 10.086,664 11.007,665 11.933,666 13.9,667 1,671 1,674 1,676 2,680 3,681 4,682 2,686 3,688 15,699 1,705 36,706 15,707 1,708 21,710 38,711 14,712 10,713 3,714 3,717 3,718 6,721 3,729 10,730 4,744 1,747 17,748 4,749 3,750 5,753 1,755 5,760 0.333,770 1,778 1,779 2,782 1,783 1,797 1,803 1,807 2,811 19,812 1,817 2,818 1,841 9.833,842 7.017,843 4.222,844 2.124,847 3.249,848 1.477,849 1.023,850 3.03,851 10.063,852 3.384,853 4.099,854 4.83,855 5.573,856 6.223,857 6.693,858 7.17,859 7.636,860 7.911,861 8.024,862 1,863 31,864 6.979,865 2.907,866 7.579,867 13.517,868 11.008,869 2.079,870 39.5,871 0.001,874 164.795,875 73.612,876 85.765,881 73.612,882 164.795,883 85.765,884 17.65,885 37.109,886 28.429,887 65.068,888 15.664,889 7.229,890 153.024,892 164.795,893 159.377,897 164.795,900 68.952,901 38.843,902 51.582,904 164.795,905 85.765,906 73.612,909 164.795,910 18.485,911 56.413,912 18.011,913 66.468,914 164.795,915 85.765,916 73.612,918 0.577,919 0.343,920 0.202,921 0.125,922 16,923 7,924 0.079,925 3,926 2,927 1.308,928 3.051,929 147.565,930 0.308,931 13,932 80.711,936 12.24,937 4.704,938 2.02,939 2.895,940 84.479,941 8.112,942 9.093,946 3.102,948 50.908,949 324.173,950 28.5,960 35.811,961 40.983,962 0.278,963 0.695,964 0.837,965 0.917,966 0.917,967 0.917,968 4.613,969 0.832,970 5.509,971 2.338,972 4.111,973 4.783,974 0.278,975 6.382,976 4.014,977 5.863,978 0.345,979 7.101,980 2.164,981 3.761,982 4.808,984 7.405,985 3.619,986 7.209,987 -0.11,988 8.797,989 0.647,990 5.746,991 7.195,992 0.05,993 10.575,994 5.542,995 8.601,996 -0.4,997 10.556,998 -0.219,999 6.236,1000 8.083,1002 12.461,1003 5.968,1004 10.029,1005 -0.737,1006 12.356,1007 -1.034,1008 7.706,1009 9.951,1010 0.008,1011 15.162,1012 7.382,1013 11.484,1014 -0.916,1015 14.185,1016 -1.65,1017 8.585,1018 11.226,1020 17.402,1021 8.187,1022 12.958,1023 -1.164,1024 16.035,1025 -2.54,1026 9.864,1027 12.904,1028 0.001,1029 19.95,1030 9.41,1031 3.312,1032 -1.265,1033 17.902,1034 -2.702,1035 10.919,1036 14.353,1038 22.333,1039 10.391,1040 2.62,1041 11.909,1042 19.783,1043 -3.54,1044 12.133,1045 15.962,1047 24.832,1048 11.545,1049 2.395,1050 8.489,1051 21.675,1052 4.874,1053 13.266,1054 17.487,1056 27.271,1057 12.606,1058 2.07,1059 7.507,1060 23.575,1061 3.81,1062 14.46,1063 19.074,1065 29.755,1066 13.738,1067 1.573,1068 5.788,1069 25.482,1070 3.245,1071 15.627,1072 20.631,1074 32.216,1075 14.836,1076 1.515,1077 4.435,1078 27.395,1079 2.848,1080 16.818,1081 22.212,1083 34.695,1084 15.963,1085 1.083,1086 3.518,1087 29.314,1088 2.238,1089 18.001,1090 23.783,1092 37.166,1093 17.078,1094 2858,1095 4446,1096 13.929,1097 23.597,1098 31.666,1099 31.612,1100 33.252,1101 31.444,1102 31.49,1103 43.418,1104 0.8,1105 93.594,1106 29.981,1107 5.579,1108 5.354,1109 6.852,1110 5.323,1111 5.312,1112 7.874,1113 0.8,1114 19.444,1115 5.111,1116 9.047,1117 1.508,1118 1.505,1119 1.583,1120 1.497,1121 1.5,1122 2.068,1123 0.038,1124 4.457,1125 1.428,1126 4.201,1127 4.246,1128 4.181,1129 4.062,1130 5.134,1131 4.085,1132 3.743,1133 3.786,1134 3.677,1135 3.636,1136 5.003,1137 3.643,1138 3.594,1139 3.686,1140 3.448,1141 3.372,1142 4.658,1143 3.377,1144 3.312,1145 3.391,1146 3.185,1147 3.144,1148 4.363,1149 3.142,1150 3.082,1151 3.177,1152 2.904,1153 2.901,1154 3.95,1155 2.888,1156 2.94,1157 3.059,1158 2.77,1159 2.749,1160 3.817,1161 2.747,1162 2.841,1163 2.921,1164 2.645,1165 2.583,1166 3.703,1167 2.581,1168 2.671,1169 2.794,1170 2.411,1171 2.359,1172 3.539,1173 2.354,1174 0.228,1175 0.16,1176 0.333,1177 0.202,1178 0.158,1179 4.786,1180 0.232,1181 3.354,1182 0.019,1183 6.991,1184 0.567,1185 4.251,1186 0.148,1187 3.312,1188 4.874,1189 0.4,1190 11.909,1191 3.111,1192 2.052,1193 2.019,1194 2.116,1195 2.186,1196 1.266,1197 2.164,1198 1.616,1199 1.555,1200 1.837,1201 1.839,1202 1.033,1203 1.846,1204 1.551,1205 1.489,1206 1.771,1207 1.727,1208 0.884,1209 1.745,1210 1.425,1211 1.353,1212 1.626,1213 1.645,1214 0.696,1215 1.645,1216 1.13,1217 1.056,1218 1.403,1219 1.347,1220 0.463,1221 1.378,1222 0.907,1223 0.822,1224 1.208,1225 1.249,1226 0.259,1227 1.24,1228 0.836,1229 0.717,1230 1.191,1231 1.131,1232 0.162,1233 1.166,1234 0.662,1235 0.537,1236 1.027,1237 0.956,1238 0.083,1239 0.985,1240 3.761,1242 5.094,1243 2.398,1244 6.637,1245 4.727,1246 8.293,1247 6.843,1248 10.014,1250 4.132,1254 5.541,1256 1.255,1257 3.238,1267 22.268,1268 51.718,1269 129.388,1270 155.853,1271 170.608,1272 170.608,1273 170.608,1274 20.527,1275 6.815,1276 68.24,1277 68.24,1278 17,1279 12.439,1280 4,1281 3.087,1282 27.561,1283 50,1284 59,1285 0.298,1286 139.29,1287 220.14,1288 331.628,1289 6817,1291 13.405,1292 0.706,1293 0.586,1294 13.405,1295 11.143,1296 9.203,1297 0.438,1298 0.304,1299 6.301,1300 8.874,1301 6.083,1302 5.102,1303 9.203,1304 6.388,1305 8.276,1306 0.276,1307 0.158,1308 8.276,1309 4.727,1310 7.051,1311 0.168,1312 0.076,1313 7.051,1314 3.191,1315 6.165,1316 0.103,1317 0.038,1318 6.165,1319 2.295,1320 5.355,1321 0.067,1322 0.02,1323 5.355,1324 1.629,1325 0.438,1326 57.386,1327 0.268,1328 18.391,1329 0.913,1330 102,1331 256.58,1332 111.381,1333 256.171,1334 367.36,1335 242,1336 123,1337 289.62,1338 133.685,1339 294.743,1340 437,1341 278,1342 5}
{0 CHEMBL249821,1 1.768,2 16.324,3 5.527,4 30.551,5 146.014,6 8.424,7 0.561,8 4.273,9 4.38,10 4.052,11 3.856,12 5.361,13 3.821,14 4.815,15 4.973,16 4.381,17 4.259,18 6.055,19 4.206,20 5.08,21 5.277,22 4.437,23 4.402,24 6.19,25 4.31,26 5.123,27 5.342,28 4.36,29 4.338,30 6.239,31 4.246,32 5.043,33 5.259,34 4.342,35 4.253,36 6.203,37 4.173,38 4.953,39 5.167,40 4.3,41 4.216,42 6.075,43 4.122,44 4.938,45 5.139,46 4.234,47 4.149,48 6.135,49 4.077,50 4.798,51 4.984,52 4.043,53 4.039,54 6.088,55 3.956,56 0.161,57 1.003,58 13.981,59 5.96,60 22.882,61 6.973,62 0.47,63 1.609,64 24.564,65 10.092,66 59.824,67 12.505,68 0.532,69 1.955,70 39.873,71 14.071,72 63.54,73 17.104,74 0.651,75 1.911,76 45.774,77 14.341,78 92.685,79 17.748,80 0.757,81 1.791,82 39.286,83 12.076,84 90.924,85 15.421,86 0.636,87 1.703,88 39.153,89 11.893,90 68.6,91 14.417,92 0.718,93 1.561,94 40.592,95 11.614,96 97.263,97 13.949,98 0.753,99 1.414,100 25.825,101 9.295,102 100.797,103 11.646,104 26,105 59,106 0.278,107 0.611,108 0.76,109 0.85,110 0.85,111 0.85,112 3.642,113 1.015,114 -4.22,115 -4.16,116 -3.93,118 40.6,119 1,120 2,124 4,138 9,139 3,140 4,142 2,146 1,159 1,163 10,166 2,167 4,170 4,172 4,173 12,176 1,177 10,180 2,182 6,184 13,188 14,193 4,195 8,199 2,200 11,205 8,208 5,213 8,216 2,217 1,218 2,221 5,225 11,228 1,230 2,233 9,236 4,237 2,240 4,242 1,245 12,248 2,252 2,254 2,257 8,260 2733,261 24.712,262 24.712,263 24.712,264 24.712,265 24.712,266 21.675,267 26.18,268 14.341,269 25.34,270 20.238,271 20.238,272 20.238,273 20.238,274 20.238,275 15.577,276 30.624,277 6.836,278 21.356,279 4.232,280 2.12,281 1.176,282 0.606,283 0.606,284 0.606,285 4.344,286 1,289 1,290 1323,291 3.937,293 127.283,294 481.161,298 185.318,301 2.692,302 44.817,305 0.75,306 0.67,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.75,313 80.333,314 604,315 4.844,316 4.683,317 7.293,318 4.292,319 3.375,320 4.697,321 0.8,322 12.404,323 3.076,324 4.585,325 3.271,326 6.593,327 4.128,328 3.153,329 4.519,330 0.4,331 10.507,332 3.065,333 4.299,334 3.078,335 6.364,336 3.854,337 2.901,338 3.982,340 9.654,341 2.757,342 3.951,343 2.85,344 5.564,345 3.547,346 2.592,347 3.482,349 7.625,350 2.478,351 3.67,352 2.763,353 5.353,354 3.464,355 2.537,356 3.149,358 6.997,359 2.352,360 3.539,361 2.487,362 5.166,363 3.209,364 2.247,365 2.876,367 6.328,368 2.154,369 3.507,370 2.316,371 5.082,372 3.077,373 2.121,374 2.774,376 5.982,377 2.028,378 3.396,379 2.185,380 5.028,381 2.925,382 1.961,383 2.541,385 5.773,386 1.882,387 3.252,388 2.035,389 4.873,390 2.773,391 1.869,392 2.524,394 5.346,395 1.627,396 3.065,397 1.834,398 4.772,399 2.61,400 1.645,401 2.274,403 4.869,404 1.567,405 2.646,406 1.469,407 4.043,408 2.37,409 1.391,410 1.715,411 3.216,412 1.36,413 2.5,414 1.209,415 3.664,416 2.15,417 1.168,418 1.5,419 2.993,420 1.141,421 2.45,422 1.105,423 3.636,424 2,425 1,426 1.442,427 2.405,428 1,429 2.401,430 1,431 3.414,432 1.91,433 0.941,434 1.357,435 2.275,436 0.909,437 1.963,438 0.997,439 3.326,440 1.857,441 0.905,442 0.938,443 1.997,444 0.859,445 17.948,446 0.485,447 1.063,448 0.029,449 50,450 1.351,451 26,452 0.703,453 24,454 0.649,455 32.402,456 0.876,457 39.652,458 0.62,459 41.051,460 1.109,461 9.439,462 0.255,463 8.342,464 0.225,465 0.123,466 0.046,467 0.301,471 0.655,472 1.284,473 0.71,474 1.099,475 0.721,476 0.896,477 0.637,478 1.061,479 0.747,480 0.915,481 0.489,482 0.901,483 0.96,484 1.078,485 1.032,486 1.071,487 0.828,488 1.012,489 1.187,490 1.089,491 1.047,492 1.012,493 1.205,494 0.946,495 1.12,496 1.075,497 0.921,498 0.889,499 1.159,500 0.932,501 1.01,502 1.008,503 1.143,504 1.042,505 0.865,506 0.931,507 1.353,508 1.028,509 1.181,510 1.088,511 1.588,512 0.947,513 1.116,514 0.963,515 0.875,516 0.923,517 1.409,518 1.104,519 9,520 0.252,521 4.667,522 2.597,523 2.258,524 1.316,525 1.06,526 0.706,527 0.308,528 0.319,529 25074,530 70625,531 2.093,532 42.2,533 3,534 17,537 3,539 4,542 1.774,543 1.956,544 3.932,545 0.836,550 113.142,551 1.768,552 3.88,553 4.824,554 5.394,555 5.394,556 5.394,557 3.368,558 4.831,559 5.176,560 4.175,561 2780.79,562 9.072,563 48145.1,568 384,569 1.531,570 5.134,571 0.22,572 0.008,573 0.079,574 0.044,575 0.042,576 0.026,577 0.022,578 0.015,579 0.008,580 0.01,581 0.473,582 0.33,583 0.63,584 0.531,585 208.552,586 0.042,587 -0.08,588 0.126,589 -0.034,590 -0.125,591 0.035,592 0.178,593 0.063,594 0.055,595 0.043,596 0.25,597 0.027,598 -0.069,599 -0.03,600 -0.053,601 -0.047,602 0.011,603 -0.037,604 -0.144,605 -0.112,606 -0.024,607 -0.009,608 -0.082,609 0.041,610 -0.04,611 -0.079,612 0.032,613 0.029,614 -0.064,615 0.017,616 -0.034,617 0.066,618 -0.041,619 0.014,620 -0.013,621 0.036,622 -0.107,623 -0.044,624 -0.074,625 -0.053,626 -0.148,627 0.023,628 0.069,629 0.056,630 -0.125,631 -0.041,632 -0.048,633 -0.194,634 4.499,635 5.622,636 0.73,637 53.793,638 1.011,639 1.126,640 2.992,641 8.955,642 0.692,643 3.738,644 4.094,645 4.344,646 4.585,647 4.804,648 4.898,649 5.056,650 5.193,651 5.333,652 5.421,653 9.488,654 0.658,655 539.11,656 3.738,657 5.303,658 6.155,659 7.041,660 7.908,661 8.796,662 9.669,663 10.559,664 11.436,665 12.327,666 9.4,668 1,669 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,699 1,702 1,704 1,705 64,706 25,707 3,708 41,710 68,711 26,712 19,713 9,714 9,717 5,718 6,719 1,721 1,724 2,727 2,729 19,730 7,733 2,736 1,737 2,747 27,748 9,749 3,750 11,751 2,755 6,760 0.8,761 3,776 1,778 1,779 4,783 1,800 1,803 4,805 1,807 1,808 1,811 37,815 1,816 1,817 6,818 2,822 1,832 1,833 4.7,835 1,836 2,841 18.917,842 11.643,843 7.903,844 3.848,847 4.454,848 1.521,849 1.001,850 7.495,851 13.003,852 4.016,853 4.677,854 5.236,855 5.82,856 6.425,857 6.772,858 7.245,859 7.709,860 8.191,861 8.549,862 0.909,863 59,864 13.916,865 6.252,866 7.843,867 26.122,868 21.995,869 2.343,870 86.694,874 282.506,875 136.963,876 87.652,877 39.149,878 86.996,880 5.807,881 131.155,882 408.651,883 87.652,884 8.825,885 13.492,886 107.499,887 137.108,888 42.788,889 1.899,890 282.506,891 39.149,892 282.506,893 218.807,894 86.996,895 44.956,897 235.422,898 134.081,900 66.045,901 102.651,902 95.068,904 282.506,905 174.648,906 176.112,908 5.807,909 282.506,910 37.044,911 97.236,912 34.416,913 176.256,914 282.506,915 174.648,916 176.112,918 0.593,919 0.341,920 0.176,921 0.093,922 29,923 13,924 0.118,925 8,926 1,927 1.074,928 4.837,929 353.041,930 0.074,931 27,932 182.75,935 1,936 25.679,937 10.799,938 5.967,939 1.25,940 174.648,941 14.965,942 13.079,946 4.124,948 77.099,949 633.266,950 54.5,953 -3.582,954 25.245,960 64.712,961 72.049,962 0.295,963 0.647,964 0.804,965 0.899,966 0.899,967 0.899,968 5.272,969 1.961,970 6.172,971 5.982,972 4.779,973 5.366,974 0.824,975 7.009,976 4.674,977 6.514,978 1.869,979 7.755,980 5.773,981 4.511,982 5.427,983 0.325,984 8.122,985 4.303,986 7.862,987 1.645,988 9.446,989 5.346,990 6.441,991 7.694,992 0.413,993 11.156,994 6.225,995 9.251,996 1.391,997 11.204,998 4.869,999 6.976,1000 8.562,1001 0.268,1002 13.112,1003 6.651,1004 10.675,1005 1.168,1006 13.007,1007 3.216,1008 8.413,1009 10.363,1010 0.246,1011 15.737,1012 8.071,1013 12.123,1014 1,1015 14.844,1016 2.993,1017 9.305,1018 11.586,1019 0.188,1020 18.022,1021 8.86,1022 13.592,1023 0.941,1024 16.706,1025 2.405,1026 10.566,1027 13.216,1028 0.157,1029 20.538,1030 10.086,1031 3.375,1032 0.905,1033 18.588,1034 2.275,1035 11.619,1036 14.603,1037 0.125,1038 22.949,1039 11.045,1040 3.153,1041 12.404,1042 20.486,1043 1.997,1044 12.82,1045 16.166,1046 0.102,1047 25.44,1048 12.195,1049 2.901,1050 10.507,1051 22.398,1052 4.697,1053 13.945,1054 17.628,1055 0.082,1056 27.903,1057 13.234,1058 2.592,1059 9.654,1060 24.32,1061 4.519,1062 15.13,1063 19.166,1064 0.067,1065 30.394,1066 14.356,1067 2.537,1068 7.625,1069 26.252,1070 3.982,1071 16.289,1072 20.663,1073 0.054,1074 32.879,1075 15.433,1076 2.247,1077 6.997,1078 28.191,1079 3.482,1080 17.473,1081 22.193,1082 0.043,1083 35.375,1084 16.546,1085 2.121,1086 6.328,1087 30.136,1088 3.149,1089 18.649,1090 23.707,1091 0.035,1092 37.872,1093 17.642,1094 23319,1095 39447,1096 27.334,1097 44.279,1098 61.426,1099 63.145,1100 62.612,1101 61.698,1102 61.58,1103 81.686,1104 2.4,1105 181.336,1106 58.347,1107 5.817,1108 6.683,1109 6.938,1110 5.374,1111 5.375,1112 7.697,1113 1.2,1114 19.56,1115 5.076,1116 18.759,1117 1.498,1118 1.54,1119 1.527,1120 1.505,1121 1.502,1122 1.992,1123 0.059,1124 4.423,1125 1.423,1126 4.117,1127 4.138,1128 4.735,1129 4.071,1130 7.717,1131 4.033,1132 4.046,1133 4.039,1134 4.102,1135 4.003,1136 6.999,1137 3.958,1138 3.86,1139 3.921,1140 3.925,1141 3.765,1142 6.471,1143 3.769,1144 3.839,1145 3.87,1146 3.725,1147 3.684,1148 5.167,1149 3.682,1150 3.673,1151 3.69,1152 3.712,1153 3.572,1154 4.887,1155 3.516,1156 3.402,1157 3.472,1158 3.362,1159 3.201,1160 4.706,1161 3.225,1162 3.302,1163 3.348,1164 3.327,1165 3.139,1166 4.445,1167 3.114,1168 3.189,1169 3.253,1170 3.169,1171 3.058,1172 4.356,1173 3.046,1174 0.118,1175 0.114,1176 0.178,1177 0.105,1178 0.082,1179 4.844,1180 0.115,1181 4.683,1182 0.02,1183 7.293,1184 0.303,1185 4.292,1186 0.075,1187 3.375,1188 4.697,1189 0.8,1190 12.404,1191 3.076,1192 2.037,1193 2.016,1194 2.093,1195 2.138,1196 1.245,1197 2.125,1198 1.958,1199 1.964,1200 1.983,1201 2.032,1202 1.214,1203 2.066,1204 1.81,1205 1.789,1206 1.886,1207 1.918,1208 1.211,1209 1.915,1210 1.644,1211 1.593,1212 1.86,1213 1.861,1214 1.122,1215 1.868,1216 1.577,1217 1.507,1218 1.852,1219 1.751,1220 0.993,1221 1.793,1222 1.448,1223 1.428,1224 1.556,1225 1.656,1226 0.838,1227 1.675,1228 1.302,1229 1.237,1230 1.544,1231 1.544,1232 0.608,1233 1.547,1234 1.199,1235 1.137,1236 1.378,1237 1.392,1238 0.553,1239 1.42,1240 4.419,1242 5.765,1243 2.398,1244 7.296,1245 4.443,1246 8.913,1247 6.26,1248 10.577,1250 1.914,1251 6.324,1255 9.853,1256 5.504,1257 5.758,1261 2.261,1267 42.082,1268 113.142,1269 248.338,1270 308.716,1271 345.245,1272 345.245,1273 345.245,1274 77.107,1275 8.548,1276 120.34,1277 128.72,1278 29,1279 12.858,1280 4.7,1281 3.858,1282 57.278,1283 213,1284 206,1285 0.129,1286 263.221,1287 450.01,1288 634.02,1289 74541,1290 1.6,1291 25.993,1292 0.703,1293 0.591,1294 26.743,1295 21.85,1296 17.781,1297 0.434,1298 0.338,1299 12.022,1300 16.095,1301 11.601,1302 9.583,1303 18.891,1304 13.876,1305 16.856,1306 0.286,1307 0.19,1308 18.55,1309 11.23,1310 13.82,1311 0.182,1312 0.107,1313 15.286,1314 8.158,1315 11.284,1316 0.116,1317 0.059,1318 12.426,1319 5.677,1320 8.962,1321 0.074,1322 0.03,1323 9.991,1324 3.658,1325 0.212,1326 122.413,1327 0.191,1328 34.587,1329 0.332,1330 200,1331 591.931,1332 269.995,1333 628.48,1334 848.86,1335 580,1336 235,1337 584.078,1338 308.282,1339 637.34,1340 928.93,1341 598,1342 8.886}
{0 CHEMBL250213,1 1.525,2 15.559,3 7.134,4 50.894,5 138.839,6 7.646,7 0.605,8 4.223,9 4.345,10 3.819,11 3.807,12 5.288,13 3.771,14 4.76,15 4.937,16 4.19,17 4.217,18 5.767,19 4.154,20 5.034,21 5.254,22 4.241,23 4.352,24 5.997,25 4.249,26 5.06,27 5.312,28 4.158,29 4.302,30 5.965,31 4.179,32 4.983,33 5.222,34 4.157,35 4.231,36 5.97,37 4.122,38 4.932,39 5.181,40 4.086,41 4.154,42 5.907,43 4.057,44 4.826,45 5.06,46 4.017,47 4.096,48 5.836,49 3.994,50 4.743,51 4.967,52 3.777,53 4.001,54 5.752,55 3.877,56 0.067,57 0.913,58 12.438,59 5.579,60 10.928,61 7.433,62 0.185,63 1.504,64 23.814,65 9.629,66 21.077,67 13.212,68 0.298,69 1.844,70 35.458,71 12.871,72 39.507,73 17.827,74 0.288,75 1.811,76 39.397,77 13.507,78 41.785,79 19.043,80 0.313,81 1.701,82 36.615,83 12.251,84 49.711,85 17.222,86 0.381,87 1.63,88 34.468,89 10.56,90 45.679,91 15.005,92 0.363,93 1.44,94 32.191,95 10.306,96 43.289,97 14.533,98 0.334,99 1.362,100 25.272,101 9.387,102 46.241,103 13.109,104 10,105 53,106 0.243,107 0.578,108 0.751,109 0.835,110 0.849,111 0.849,112 3.56,113 0.959,114 -6,115 -5.85,116 -5.44,118 43.5,119 1,120 4,124 3,138 9,139 4,140 3,142 2,146 1,159 1,163 14,166 1,167 5,170 2,172 4,173 17,176 1,177 7,180 1,182 4,184 17,188 11,193 3,195 12,200 13,205 7,208 7,213 10,218 3,221 7,225 8,228 1,230 2,233 13,237 5,240 3,242 1,245 13,249 1,254 2,257 8,260 2222,261 23.187,262 23.187,263 23.187,264 23.187,265 23.187,266 20.413,267 27.406,268 13.703,269 23.644,270 18.792,271 18.792,272 18.792,273 18.792,274 18.792,275 14.632,276 33.216,277 6.588,278 19.615,279 4.429,280 2.323,281 1.243,282 0.714,283 0.625,284 0.625,285 4.269,286 1,289 1,290 1169,291 3.082,293 113.062,294 426.239,298 163.019,301 2.709,302 24.45,305 0.75,306 0.67,307 1,308 0.8,309 0.5,310 1,311 1,312 0.82,313 71.833,314 529,315 4.585,316 3.271,317 6.593,318 4.129,319 3.153,320 4.519,321 0.8,322 10.507,323 3.075,324 4.299,325 3.079,326 6.364,327 3.856,328 2.902,329 3.982,330 0.4,331 9.654,332 2.759,333 4.059,334 2.874,335 5.599,336 3.665,337 2.687,338 3.652,340 7.723,341 2.635,342 3.745,343 2.823,344 5.364,345 3.473,346 2.543,347 3.199,349 7.029,350 2.367,351 3.563,352 2.603,353 5.307,354 3.341,355 2.387,356 2.908,358 6.874,359 2.269,360 3.53,361 2.487,362 5.141,363 3.159,364 2.194,365 2.812,367 6.206,368 2.113,369 3.433,370 2.26,371 5.067,372 3.013,373 2.041,374 2.654,376 5.828,377 1.984,378 3.338,379 2.164,380 4.918,381 2.879,382 1.937,383 2.535,385 5.685,386 1.817,387 3.224,388 1.97,389 4.862,390 2.752,391 1.837,392 2.491,394 5.317,395 1.599,396 2.646,397 1.466,398 4.043,399 2.402,400 1.414,401 1.715,403 3.218,404 1.394,405 2.5,406 1.209,407 3.664,408 2.15,409 1.168,410 1.5,411 3.011,412 1.142,413 2.45,414 1.031,415 3.609,416 2,417 1,418 1.449,419 2.405,420 1,421 2.401,422 1,423 3.414,424 1.928,425 0.952,426 1.357,427 2.275,428 0.928,429 1.995,430 0.992,431 3.226,432 1.902,433 0.929,434 0.977,435 2.073,436 0.902,437 1.618,438 0.744,439 3.027,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 16.548,446 0.487,447 0.797,448 0.023,449 44.75,450 1.316,451 23,452 0.676,453 21.75,454 0.64,455 30.142,456 0.887,457 35.652,458 0.575,459 33.054,460 0.972,461 8.415,462 0.248,463 8.132,464 0.239,465 0.094,467 0.326,471 0.801,472 1.192,473 0.685,474 0.954,475 0.816,476 0.905,477 0.716,478 1.08,479 0.736,480 0.951,481 0.491,482 0.933,483 0.948,484 1.077,485 0.926,486 1.007,487 0.824,488 1.015,489 0.908,490 1.025,491 0.916,492 0.938,493 0.799,494 0.925,495 0.84,496 1.163,497 0.922,498 1.037,499 0.693,500 0.975,501 1.238,502 0.966,503 0.936,504 0.832,505 1.079,506 0.859,507 0.887,508 0.998,509 1.015,510 0.998,511 0.804,512 0.943,513 0.949,514 1.098,515 0.932,516 1.098,517 1.151,518 1.169,519 7,520 0.144,521 3.333,522 1.847,523 2.018,524 0.969,525 0.856,526 0.45,527 0.279,528 0.236,529 20513,530 47904,531 2.145,532 45.2,533 5,534 15,537 2,539 6,542 1.752,543 2.04,544 3.868,545 0.147,550 94.563,551 1.525,552 3.631,553 4.711,554 5.24,555 5.329,556 5.329,557 3.349,558 4.418,559 5.052,560 4.106,561 2303.29,562 8.82,563 37540,568 369.16,569 1.286,570 5.033,571 0.184,572 0.006,573 0.063,574 0.036,575 0.043,576 0.021,577 0.02,578 0.011,579 0.009,580 0.009,581 0.401,582 0.17,583 0.63,584 0.459,585 186.951,586 0.007,587 -0.034,588 0.031,589 0.018,590 -0.03,591 0.03,592 0.08,593 0.026,594 0.051,595 0.01,596 0.16,597 0.016,598 -0.026,599 -0.047,600 -0.016,601 -0.037,602 0.04,603 -0.048,604 -0.026,605 -0.051,606 0.068,607 0.046,608 0.033,609 0.069,610 0.093,611 -0.171,612 0.077,613 -0.058,614 0.195,615 0.007,616 -0.106,617 0.073,618 0.042,619 0.103,620 -0.047,621 0.085,622 0.12,623 0.005,624 0.03,625 -0.015,626 0.15,627 0.035,628 0.034,629 -0.071,630 -0.151,631 -0.155,632 -0.059,633 -0.217,634 1.501,635 3.853,636 0.794,637 49.356,638 0.996,639 1.123,640 4.766,641 22.718,642 0.685,643 3.664,644 3.989,645 4.248,646 4.511,647 4.745,648 4.804,649 4.977,650 5.124,651 5.283,652 5.366,653 9.059,654 0.645,655 474.05,656 3.664,657 5.209,658 6.057,659 6.93,660 7.793,661 8.67,662 9.54,663 10.419,664 11.295,665 12.177,666 8.1,669 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,699 1,702 1,704 1,705 62,706 23,707 3,708 38,710 66,711 27,712 19,713 9,714 9,717 5,718 6,719 1,721 1,724 2,727 4,729 19,730 8,747 28,748 6,749 2,750 7,751 1,755 5,760 0.8,761 1,776 1,778 1,779 4,783 1,800 1,803 4,807 1,808 1,811 34,816 1,817 7,818 1,822 1,832 1,833 1.6,835 1,841 16.667,842 11.393,843 7.361,844 3.959,847 4.362,848 1.519,849 0.999,850 6.843,851 12.774,852 3.922,853 4.549,854 5.142,855 5.75,856 6.372,857 6.683,858 7.177,859 7.671,860 8.159,861 8.498,862 1,863 52,864 12.559,865 5.354,866 7.582,867 24.506,868 20.518,869 2.082,870 70.778,874 306.049,875 135.754,876 71.247,877 39.149,878 42.683,881 135.754,882 387.881,883 71.247,884 8.825,885 16.455,886 85.286,887 92.795,888 44.423,889 1.899,890 306.049,891 39.149,892 306.049,893 207,894 42.683,895 39.149,897 235.422,898 113.31,900 52.603,901 104.286,902 89.26,904 306.049,905 113.93,906 174.902,909 306.049,910 41.642,911 97.236,912 18.011,913 131.944,914 306.049,915 113.93,916 174.902,918 0.583,919 0.336,920 0.18,921 0.098,922 26,923 11,924 0.106,925 7,926 1,927 1.074,928 4.698,929 312.616,930 0.074,931 27,932 164.974,936 22.887,937 10.166,938 5.453,939 1.448,940 113.93,941 17.255,942 13.349,946 6.035,948 60.694,949 594.881,950 49.5,960 61.763,961 69.627,962 0.256,963 0.61,964 0.791,965 0.88,966 0.895,967 0.895,968 5.158,969 1.937,970 6.033,971 5.828,972 4.673,973 5.236,974 0.824,975 6.817,976 4.591,977 6.362,978 1.837,979 7.572,980 5.685,981 4.205,982 5.047,983 0.325,984 7.627,985 4.046,986 7.667,987 1.414,988 9.206,989 5.317,990 6.244,991 7.463,992 0.413,993 10.717,994 6.091,995 9.006,996 1.168,997 10.895,998 3.218,999 6.581,1000 8.09,1001 0.268,1002 12.358,1003 6.361,1004 10.376,1005 1,1006 12.622,1007 3.011,1008 8.072,1009 9.987,1010 0.246,1011 14.962,1012 7.855,1013 11.767,1014 0.952,1015 14.375,1016 2.405,1017 8.794,1018 11.021,1019 0.188,1020 16.977,1021 8.525,1022 13.176,1023 0.929,1024 16.148,1025 2.275,1026 10.059,1027 12.693,1028 0.157,1029 19.408,1030 9.782,1031 3.153,1032 0.618,1033 17.937,1034 2.073,1035 10.977,1036 13.945,1037 0.125,1038 21.597,1039 10.66,1040 2.902,1041 10.507,1042 19.74,1043 1.372,1044 12.147,1045 15.513,1046 0.102,1047 23.964,1048 11.815,1049 2.687,1050 9.654,1051 21.554,1052 4.519,1053 13.165,1054 16.882,1055 0.082,1056 26.232,1057 12.801,1058 2.543,1059 7.723,1060 23.377,1061 3.982,1062 14.298,1063 18.404,1064 0.067,1065 28.575,1066 13.916,1067 2.387,1068 7.029,1069 25.209,1070 3.652,1071 15.368,1072 19.833,1073 0.054,1074 30.879,1075 14.958,1076 2.194,1077 6.874,1078 27.047,1079 3.199,1080 16.49,1081 21.336,1082 0.043,1083 33.216,1084 16.059,1085 2.041,1086 6.206,1087 28.892,1088 2.908,1089 17.586,1090 22.798,1091 0.035,1092 35.537,1093 17.13,1094 18909,1095 29308,1096 25.948,1097 42.478,1098 56.428,1099 57.253,1100 57.15,1101 56.554,1102 56.403,1103 73.797,1104 2.4,1105 160.512,1106 53.944,1107 5.544,1108 5.271,1109 6.25,1110 5.199,1111 5.153,1112 7.519,1113 1.2,1114 17.403,1115 5.075,1116 13.797,1117 1.485,1118 1.507,1119 1.504,1120 1.488,1121 1.484,1122 1.942,1123 0.063,1124 4.224,1125 1.42,1126 4.098,1127 4.13,1128 4.105,1129 4.02,1130 6.471,1131 4.026,1132 3.942,1133 3.982,1134 3.933,1135 3.874,1136 5.167,1137 3.869,1138 3.857,1139 3.908,1140 3.855,1141 3.762,1142 4.887,1143 3.766,1144 3.824,1145 3.86,1146 3.711,1147 3.679,1148 4.739,1149 3.676,1150 3.501,1151 3.57,1152 3.403,1153 3.356,1154 4.45,1155 3.346,1156 3.38,1157 3.45,1158 3.341,1159 3.186,1160 4.342,1161 3.21,1162 3.194,1163 3.263,1164 3.259,1165 3.059,1166 4.189,1167 3.047,1168 3.023,1169 3.093,1170 3.049,1171 2.863,1172 4.13,1173 2.865,1174 0.121,1175 0.086,1176 0.173,1177 0.109,1178 0.083,1179 4.585,1180 0.119,1181 3.271,1182 0.021,1183 6.593,1184 0.277,1185 4.129,1186 0.081,1187 3.153,1188 4.519,1189 0.8,1190 10.507,1191 3.075,1192 2.036,1193 2.015,1194 2.095,1195 2.137,1196 1.311,1197 2.124,1198 1.929,1199 1.9,1200 2.056,1201 2.02,1202 1.244,1203 2.035,1204 1.809,1205 1.787,1206 1.89,1207 1.915,1208 1.211,1209 1.913,1210 1.63,1211 1.56,1212 1.86,1213 1.834,1214 1.075,1215 1.844,1216 1.577,1217 1.507,1218 1.85,1219 1.751,1220 0.993,1221 1.793,1222 1.364,1223 1.293,1224 1.606,1225 1.599,1226 0.876,1227 1.6,1228 1.276,1229 1.2,1230 1.55,1231 1.501,1232 0.606,1233 1.525,1234 1.195,1235 1.135,1236 1.375,1237 1.381,1238 0.493,1239 1.401,1240 4.344,1242 5.666,1243 2.398,1244 7.175,1245 4.443,1246 8.774,1247 6.26,1248 10.423,1250 1.984,1251 6.344,1255 9.853,1256 8.682,1257 3.267,1261 2.559,1267 39.971,1268 94.563,1269 225.105,1270 292.102,1271 324.896,1272 330.405,1273 330.405,1274 51.88,1275 8.412,1276 74.17,1277 74.17,1278 29,1279 12.713,1280 4.585,1281 3.644,1282 50.505,1283 185,1284 188,1285 0.131,1286 246.896,1287 420.22,1288 594.186,1289 63294,1290 1.6,1291 23.493,1292 0.691,1293 0.589,1294 23.993,1295 20.016,1296 16.547,1297 0.435,1298 0.32,1299 11.697,1300 15.825,1301 11.379,1302 9.425,1303 16.836,1304 12.151,1305 15.075,1306 0.284,1307 0.176,1308 15.446,1309 9.342,1310 12.626,1311 0.183,1312 0.097,1313 12.984,1314 6.69,1315 10.505,1316 0.117,1317 0.053,1318 10.792,1319 4.779,1320 8.617,1321 0.076,1322 0.027,1323 8.954,1324 3.052,1325 0.215,1326 105.371,1327 0.196,1328 32.392,1329 0.335,1330 182,1331 463.266,1332 209.42,1333 491.562,1334 676.46,1335 460,1336 213,1337 491.538,1338 237.196,1339 511.588,1340 746.07,1341 482,1342 8.319}
{0 CHEMBL250214,1 1.664,2 14.765,3 4.657,4 21.691,5 132.53,6 8.333,7 0.605,8 4.164,9 4.279,10 3.824,11 3.73,12 5.32,13 3.721,14 4.674,15 4.836,16 4.211,17 4.132,18 5.805,19 4.102,20 4.945,21 5.137,22 4.32,23 4.287,24 6.067,25 4.232,26 4.986,27 5.197,28 4.238,29 4.238,30 6.112,31 4.17,32 4.89,33 5.087,34 4.211,35 4.171,36 6.081,37 4.11,38 4.843,39 5.054,40 4.099,41 4.12,42 5.943,43 4.038,44 4.801,45 5.043,46 3.973,47 3.998,48 5.858,49 3.904,50 4.579,51 4.801,52 3.755,53 3.785,54 5.754,55 3.706,56 0.104,57 0.877,58 9.752,59 4.721,60 12.586,61 5.8,62 0.287,63 1.411,64 19.076,65 7.957,66 22.008,67 10.25,68 0.409,69 1.723,70 29.287,71 10.825,72 44.175,73 13.935,74 0.495,75 1.678,76 34.311,77 11.545,78 69.151,79 14.751,80 0.539,81 1.561,82 30.886,83 10.23,84 71.603,85 12.999,86 0.475,87 1.52,88 28.165,89 9.497,90 52.27,91 12.518,92 0.466,93 1.376,94 31.811,95 9.853,96 52.624,97 13.575,98 0.502,99 1.161,100 20.792,101 7.184,102 56.016,103 9.685,104 17,105 54,106 0.268,107 0.619,108 0.756,109 0.848,110 0.848,111 0.848,112 3.56,113 0.897,114 -4.42,115 -4.35,116 -4.11,118 43.9,119 1,124 4,138 9,139 4,140 3,142 2,146 1,151 1,159 1,163 11,166 2,167 4,170 2,172 4,173 14,176 1,177 10,180 2,182 4,184 13,188 14,193 3,195 8,200 11,203 1,205 7,208 5,213 8,216 2,218 4,221 5,225 6,228 1,230 4,233 9,236 4,237 2,240 2,242 1,245 9,248 2,253 1,254 2,257 7,260 2072,261 23.032,262 23.032,263 23.032,264 23.032,265 23.032,266 20.191,267 26.042,268 13.452,269 23.539,270 18.754,271 18.754,272 18.754,273 18.754,274 18.754,275 14.415,276 33.973,277 6.432,278 19.62,279 4.169,280 1.998,281 1.145,282 0.575,283 0.575,284 0.575,285 4.268,286 1,289 1,290 1107,291 3.082,294 544.573,298 160.068,301 2.471,302 34.564,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 73.333,314 502,315 4.585,316 3.693,317 6.593,318 4.129,319 3.153,320 4.519,321 1.2,322 10.507,323 3.075,324 4.301,325 3.271,326 6.391,327 3.959,328 2.976,329 3.982,330 0.4,331 9.671,332 2.924,333 4.26,334 3.078,335 6.364,336 3.853,337 2.899,338 3.801,339 0.4,340 9.651,341 2.756,342 3.893,343 2.777,344 5.569,345 3.539,346 2.588,347 3.286,348 0.293,349 7.627,350 2.46,351 3.655,352 2.488,353 5.256,354 3.24,355 2.288,356 3.07,358 6.517,359 2.171,360 3.507,361 2.473,362 5.141,363 3.129,364 2.172,365 2.865,367 6.166,368 2.073,369 3.4,370 2.319,371 5.067,372 3,373 2.029,374 2.761,376 5.819,377 1.968,378 3.276,379 2.189,380 4.935,381 2.88,382 1.937,383 2.523,385 5.672,386 1.819,387 3.203,388 2.054,389 4.865,390 2.754,391 1.841,392 2.368,394 5.318,395 1.6,396 2.692,397 1.798,398 4.043,399 2.424,400 1.478,401 1.716,403 3.306,404 1.393,405 2.645,406 1.667,407 3.893,408 2.15,409 1.168,410 1.67,411 3.213,412 1.142,413 2.5,414 1.208,415 3.664,416 2,417 1,418 1.5,419 2.405,420 1,421 2.401,422 1.146,423 3.414,424 1.967,425 1,426 1.357,427 2.275,428 0.965,429 2.12,430 1,431 3.351,432 1.912,433 0.942,434 1,435 2.136,436 0.911,437 2,438 0.998,439 3.247,440 1.788,441 0.783,442 0.97,443 1.91,444 0.776,445 16.281,446 0.479,447 0.87,448 0.026,449 47,450 1.382,451 24.5,452 0.721,453 22.5,454 0.662,455 27.598,456 0.812,457 35.319,458 0.62,459 37.456,460 1.102,461 9.317,462 0.274,463 7.157,464 0.211,465 0.116,467 0.362,471 0.788,472 1.209,473 0.633,474 0.911,475 0.707,476 0.84,477 0.702,478 1.048,479 0.693,480 0.884,481 0.539,482 0.863,483 0.965,484 1.041,485 0.9,486 0.975,487 0.852,488 0.965,489 1.261,490 1.053,491 1.015,492 0.963,493 1.404,494 0.956,495 1.149,496 1.12,497 1.041,498 1.022,499 1.273,500 1.001,501 0.979,502 1.064,503 1.035,504 1.025,505 0.878,506 1.071,507 0.783,508 1.038,509 1.002,510 1.039,511 0.68,512 0.978,513 0.836,514 0.979,515 0.846,516 0.952,517 0.836,518 1.042,519 7,520 0.165,521 4,522 2.438,523 2.284,524 0.993,525 0.889,526 0.545,527 0.287,528 0.245,529 19366,530 54342,531 2.127,532 40.4,533 3,534 17,537 3,542 1.754,543 2,544 3.81,545 0.84,550 94.827,551 1.664,552 3.835,553 4.688,554 5.258,555 5.258,556 5.258,557 3.268,558 4.477,559 5.057,560 4.016,561 2252.87,562 8.832,563 35726.9,568 332.475,569 1.379,570 5.023,571 0.184,572 0.006,573 0.074,574 0.043,575 0.045,576 0.02,577 0.021,578 0.014,579 0.009,580 0.009,581 0.425,582 0.17,583 0.75,584 0.513,585 185.328,586 -0.052,587 -0.053,588 0.018,589 0.022,590 -0.074,591 0.034,592 0.063,593 0.07,594 0.054,595 0.048,596 0.074,597 0.044,598 -0.056,599 0.002,600 -0.01,601 -0.017,602 -0.004,603 -0.019,604 -0.172,605 -0.08,606 -0.025,607 0.019,608 -0.135,609 0.019,610 -0.062,611 -0.118,612 -0.046,613 -0.049,614 -0.058,615 -0.047,616 -0.067,617 -0.029,618 -0.094,619 -0.072,620 -0.089,621 -0.118,622 0.091,623 -0.089,624 0.065,625 -0.04,626 0.084,627 0.046,628 0.167,629 0.048,630 -0.037,631 -0.03,632 0.104,633 -0.097,634 1.63,635 5.644,636 0.824,637 44.346,638 1.01,639 1.124,640 3.194,641 10.203,642 0.696,643 3.664,644 4.007,645 4.29,646 4.554,647 4.828,648 4.868,649 5.043,650 5.182,651 5.323,652 5.412,653 8.556,654 0.669,655 474.99,656 3.664,657 5.22,658 6.08,659 6.963,660 7.837,661 8.723,662 9.603,663 10.49,664 11.373,665 12.261,666 10.5,668 1,673 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,695 1,699 1,702 1,704 1,705 57,706 24,707 3,708 38,710 61,711 25,712 19,713 9,714 9,715 1,717 5,718 6,719 1,721 1,729 20,730 5,733 1,737 1,740 1,747 23,748 8,749 3,750 9,751 1,755 6,760 0.8,761 2,779 5,783 1,799 1,803 4,807 1,808 1,811 34,816 1,817 4,818 2,822 1,832 1,833 3.5,835 1,836 1,841 17,842 10.56,843 7.333,844 3.388,847 4.415,848 1.522,849 1.004,850 6.331,851 12.872,852 3.942,853 4.58,854 5.193,855 5.793,856 6.417,857 6.74,858 7.228,859 7.706,860 8.186,861 8.533,862 0.9,863 57,864 12.553,865 5.434,866 7.778,867 23.841,868 19.782,869 2.278,870 77.444,874 235.422,875 132.426,876 89.257,877 39.149,878 67.828,881 132.426,882 342.399,883 89.257,884 8.825,885 11.547,886 103.297,887 122.644,888 41.299,889 1.899,890 235.422,891 39.149,892 235.422,893 221.683,894 67.828,895 39.149,897 235.422,898 67.828,900 62.581,901 108.991,902 89.26,904 235.422,905 157.086,906 171.575,909 235.422,910 38.314,911 97.236,912 36.022,913 157.088,914 235.422,915 157.086,916 171.575,918 0.588,919 0.346,920 0.186,921 0.106,922 27,923 12,924 0.066,925 4,926 1,927 1.071,928 4.563,929 320.827,930 0.071,931 28,932 164.974,936 22.541,937 9.549,938 4.854,939 1.333,940 157.086,941 15.913,942 13.175,946 4.898,948 78.705,949 564.082,950 50.5,954 12.644,957 0.037,960 57.542,961 64.089,962 0.285,963 0.658,964 0.804,965 0.901,966 0.901,967 0.901,968 5.186,969 1.937,970 6.071,971 5.819,972 4.691,973 5.268,974 1.509,975 6.884,976 4.609,977 6.405,978 1.841,979 7.633,980 5.672,981 4.29,982 5.121,983 0.325,984 7.763,985 4.153,986 7.72,987 1.478,988 9.292,989 5.318,990 6.293,991 7.509,992 1.534,993 10.866,994 6.145,995 9.07,996 1.168,997 11.007,998 3.306,999 6.686,1000 8.165,1001 0.653,1002 12.554,1003 6.497,1004 10.45,1005 1,1006 12.758,1007 3.213,1008 8.165,1009 10.042,1010 1.742,1011 15.171,1012 7.963,1013 11.851,1014 1,1015 14.535,1016 2.405,1017 8.931,1018 11.091,1019 1.001,1020 17.207,1021 8.697,1022 13.27,1023 0.942,1024 16.33,1025 2.275,1026 10.195,1027 12.749,1028 1.993,1029 19.644,1030 9.943,1031 3.153,1032 0.783,1033 18.139,1034 2.136,1035 11.143,1036 14.006,1037 1.37,1038 21.835,1039 10.865,1040 2.976,1041 10.507,1042 19.959,1043 1.91,1044 12.316,1045 15.564,1046 2.264,1047 24.201,1048 12.018,1049 2.899,1050 9.671,1051 21.788,1052 4.519,1053 13.352,1054 16.932,1055 1.754,1056 26.463,1057 13.03,1058 2.588,1059 9.651,1060 23.624,1061 3.982,1062 14.489,1063 18.447,1064 2.551,1065 28.801,1066 14.146,1067 2.288,1068 7.627,1069 25.466,1070 3.801,1071 15.568,1072 19.874,1073 2.143,1074 31.095,1075 15.202,1076 2.172,1077 6.517,1078 27.313,1079 3.286,1080 16.692,1081 21.371,1082 2.851,1083 33.423,1084 16.304,1085 2.029,1086 6.166,1087 29.164,1088 3.07,1089 17.793,1090 22.83,1091 2.535,1092 35.734,1093 17.382,1094 17930,1095 30246,1096 25.66,1097 39.654,1098 57.585,1099 59.21,1100 58.7,1101 57.29,1102 57.188,1103 75.626,1104 4.586,1105 166.079,1106 54.657,1107 5.585,1108 5.693,1109 6.395,1110 5.199,1111 5.153,1112 7.519,1113 2.293,1114 17.403,1115 5.075,1116 15.858,1117 1.515,1118 1.558,1119 1.545,1120 1.508,1121 1.505,1122 1.99,1123 0.121,1124 4.37,1125 1.438,1126 4.098,1127 4.129,1128 4.105,1129 4.019,1130 7.428,1131 4.025,1132 3.948,1133 3.98,1134 3.937,1135 3.864,1136 6.471,1137 3.867,1138 3.849,1139 3.879,1140 3.877,1141 3.761,1142 5.167,1143 3.766,1144 3.761,1145 3.824,1146 3.652,1147 3.569,1148 4.887,1149 3.579,1150 3.43,1151 3.493,1152 3.385,1153 3.22,1154 4.716,1155 3.255,1156 3.232,1157 3.293,1158 3.338,1159 3.062,1160 4.448,1161 3.054,1162 3.175,1163 3.228,1164 3.156,1165 2.994,1166 4.377,1167 3.021,1168 3.111,1169 3.206,1170 3.043,1171 2.941,1172 4.184,1173 2.91,1174 0.121,1175 0.097,1176 0.173,1177 0.109,1178 0.083,1179 4.585,1180 0.119,1181 3.693,1182 0.032,1183 6.593,1184 0.277,1185 4.129,1186 0.081,1187 3.153,1188 4.519,1189 1.2,1190 10.507,1191 3.075,1192 2.036,1193 2.015,1194 2.094,1195 2.137,1196 1.254,1197 2.123,1198 1.917,1199 1.891,1200 2.022,1201 2.041,1202 1.244,1203 2.037,1204 1.808,1205 1.787,1206 1.934,1207 1.943,1208 1.081,1209 1.945,1210 1.722,1211 1.649,1212 1.885,1213 1.898,1214 0.993,1215 1.9,1216 1.341,1217 1.278,1218 1.555,1219 1.584,1220 0.825,1221 1.571,1222 1.209,1223 1.146,1224 1.513,1225 1.42,1226 0.606,1227 1.429,1228 1.153,1229 1.064,1230 1.394,1231 1.376,1232 0.427,1233 1.429,1234 1.096,1235 1.061,1236 1.248,1237 1.344,1238 0.344,1239 1.322,1240 4.344,1242 5.68,1244 7.216,1246 8.839,1248 10.508,1250 1.942,1251 6.325,1255 9.841,1256 3.071,1257 6.408,1261 1.857,1267 38.127,1268 94.827,1269 218.607,1270 267.191,1271 299.72,1272 299.72,1273 299.72,1274 58.7,1275 8.457,1276 103.27,1277 103.27,1278 30,1279 12.792,1280 4.644,1281 3.755,1282 50.42,1283 177,1284 170,1285 0.138,1286 235.574,1287 402.77,1288 566.561,1289 64391,1290 1.8,1291 23.656,1292 0.696,1293 0.568,1294 24.156,1295 19.303,1296 16.474,1297 0.434,1298 0.299,1299 10.877,1300 15.619,1301 10.605,1302 8.753,1303 16.763,1304 11.366,1305 15.145,1306 0.28,1307 0.159,1308 15.516,1309 8.612,1310 12.988,1311 0.18,1312 0.085,1313 13.347,1314 6.133,1315 10.749,1316 0.114,1317 0.045,1318 11.036,1319 4.257,1320 9.238,1321 0.074,1322 0.024,1323 9.575,1324 2.958,1325 0.225,1326 105.976,1327 0.197,1328 32.028,1329 0.361,1330 184,1331 533.335,1332 215.355,1333 553.475,1334 753.46,1335 516,1336 218,1337 543.006,1338 246.242,1339 560.807,1340 821.11,1341 528,1342 8.284}
{0 CHEMBL250625,1 1.772,2 14.8,3 4.923,4 24.235,5 137.311,6 8.645,7 0.59,8 4.196,9 4.295,10 3.998,11 3.818,12 5.306,13 3.776,14 4.731,15 4.871,16 4.358,17 4.238,18 5.966,19 4.177,20 5.039,21 5.216,22 4.476,23 4.41,24 6.187,25 4.319,26 5.109,27 5.307,28 4.377,29 4.35,30 6.292,31 4.263,32 4.995,33 5.188,34 4.291,35 4.235,36 6.236,37 4.169,38 4.885,39 5.095,40 4.154,41 4.156,42 6.005,43 4.065,44 4.83,45 5.064,46 4.067,47 4.037,48 5.9,49 3.938,50 4.626,51 4.84,52 3.895,53 3.842,54 5.866,55 3.756,56 0.15,57 0.9,58 12.061,59 5.705,60 23.388,61 6.301,62 0.336,63 1.47,64 21.454,65 9.881,66 58.023,67 11.616,68 0.488,69 1.89,70 39.458,71 14.419,72 69.05,73 16.34,74 0.718,75 1.886,76 46.086,77 14.87,78 113.445,79 16.852,80 0.763,81 1.689,82 35.936,83 11.822,84 107.91,85 14.234,86 0.567,87 1.589,88 30.356,89 10.352,90 64.237,91 13.137,92 0.537,93 1.442,94 33.846,95 10.39,96 63.594,97 13.851,98 0.585,99 1.23,100 22.422,101 7.749,102 71.14,103 10.098,104 26,105 57,106 0.283,107 0.631,108 0.78,109 0.846,110 0.846,111 0.846,112 3.588,113 1.015,114 -4.76,115 -4.67,116 -4.39,118 42.4,119 1,120 2,124 2,126 1,138 9,139 3,140 4,142 2,146 1,159 1,163 9,166 2,167 2,170 2,172 6,173 13,176 1,177 14,180 1,182 4,184 13,188 14,193 2,195 12,200 11,203 2,205 6,208 9,213 6,216 2,218 4,221 5,225 5,228 1,230 6,233 9,236 4,237 2,240 2,242 1,245 8,248 2,249 4,253 1,254 2,257 4,260 2200,261 23.374,262 23.374,263 23.374,264 23.374,265 23.374,266 20.36,267 26.311,268 13.492,269 24.078,270 19.242,271 19.242,272 19.242,273 19.242,274 19.242,275 14.608,276 33.617,277 6.42,278 20.486,279 4.11,280 1.934,281 1.005,282 0.589,283 0.589,284 0.589,285 4.292,286 1,289 1,290 1138,291 3.536,294 566.068,298 167.134,301 2.434,302 46.504,305 0.75,306 0.83,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.78,313 75.833,314 518,315 4.931,316 5.351,317 7.666,318 4.373,319 3.51,320 4.758,321 2.95,322 13.61,323 3.075,324 4.585,325 3.271,326 6.593,327 4.128,328 3.153,329 4.519,330 0.4,331 10.507,332 2.994,333 4.299,334 3.125,335 6.364,336 3.854,337 2.901,338 3.982,339 0.4,340 9.654,341 2.757,342 3.962,343 3.073,344 5.644,345 3.563,346 2.607,347 3.493,349 7.657,350 2.488,351 3.678,352 2.741,353 5.492,354 3.242,355 2.288,356 3.154,358 6.663,359 2.172,360 3.514,361 2.487,362 5.153,363 3.135,364 2.177,365 2.878,367 6.207,368 2.075,369 3.402,370 2.295,371 5.072,372 3.024,373 2.062,374 2.777,376 5.848,377 1.983,378 3.276,379 2.178,380 4.969,381 2.903,382 1.95,383 2.532,385 5.724,386 1.848,387 3.209,388 2.04,389 4.867,390 2.764,391 1.857,392 2.385,394 5.325,395 1.607,396 2.951,397 1.968,398 4.328,399 2.528,400 1.577,401 2.006,403 4.121,404 1.491,405 2.646,406 1.268,407 4.043,408 2.15,409 1.168,410 1.715,411 3.216,412 1.142,413 2.5,414 1.205,415 3.664,416 2.049,417 1.095,418 1.5,419 2.63,420 1.039,421 2.401,422 1.077,423 3.554,424 2,425 1,426 1.357,427 2.404,428 1,429 2.242,430 1,431 3.414,432 1.984,433 1,434 1.202,435 2.275,436 0.983,437 2,438 0.997,439 3.247,440 1.909,441 0.94,442 1,443 2.136,444 0.908,445 17.048,446 0.487,447 1.036,448 0.03,449 48.5,450 1.386,451 26,452 0.743,453 22.5,454 0.643,455 30.119,456 0.861,457 36.952,458 0.626,459 39.232,460 1.121,461 9.049,462 0.259,463 7.759,464 0.222,465 0.13,466 0.049,467 0.323,471 0.643,472 1.123,473 0.71,474 1.008,475 0.717,476 0.844,477 0.626,478 1.062,479 0.762,480 0.968,481 0.554,482 0.918,483 0.99,484 1.11,485 1.123,486 1.162,487 0.929,488 1.007,489 1.383,490 1.06,491 1.173,492 1.077,493 1.527,494 0.976,495 1.238,496 1.074,497 0.956,498 0.922,499 1.402,500 0.982,501 0.919,502 1.074,503 0.939,504 0.925,505 0.754,506 1.039,507 0.754,508 1.044,509 0.887,510 0.96,511 0.657,512 0.963,513 0.758,514 1.048,515 0.754,516 0.881,517 0.708,518 1.007,519 8.5,520 0.227,521 4.889,522 2.938,523 2.382,524 1.174,525 0.93,526 0.608,527 0.336,528 0.284,529 20503,530 60442,531 2.099,532 40.7,533 3,534 14,537 3,540 4,542 1.761,543 1.953,544 3.804,545 0.848,550 104.576,551 1.772,552 3.949,553 4.878,554 5.294,555 5.294,556 5.294,557 3.269,558 4.458,559 5.1,560 4.02,561 2391.96,562 8.919,563 38529.3,568 347.076,569 1.566,570 5.051,571 0.218,572 0.008,573 0.086,574 0.048,575 0.043,576 0.023,577 0.021,578 0.016,579 0.01,580 0.01,581 0.482,582 0.17,583 0.75,584 0.548,585 192.11,586 0.028,587 0.039,588 0.111,589 0.034,590 -0.124,591 0.063,592 0.128,593 0.031,594 0.059,595 0.023,596 0.185,597 0.013,598 -0.078,599 -0.061,600 -0.069,601 -0.068,602 -0.007,603 -0.026,604 -0.213,605 -0.082,606 -0.109,607 -0.034,608 -0.167,609 0.006,610 -0.083,611 -0.098,612 -0.059,613 -0.029,614 -0.126,615 -0.044,616 -0.053,617 -0.039,618 -0.08,619 -0.048,620 -0.058,621 -0.098,622 0.083,623 -0.084,624 0.083,625 -0.035,626 0.035,627 0.043,628 0.204,629 -0.009,630 0.023,631 -0.009,632 0.138,633 -0.077,634 4.272,635 5.905,636 0.8,637 44.694,638 1.012,639 1.121,640 3.53,641 12.462,642 0.704,643 3.689,644 4.06,645 4.344,646 4.595,647 4.86,648 4.913,649 5.081,650 5.204,651 5.342,652 5.438,653 8.605,654 0.67,655 510.06,656 3.689,657 5.263,658 6.129,659 7.026,660 7.908,661 8.806,662 9.694,663 10.593,664 11.484,665 12.383,666 8.5,668 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,699 1,702 1,704 1,705 59,706 25,707 3,708 39,710 63,711 25,712 19,713 9,714 9,717 5,718 6,719 1,721 1,724 3,727 3,729 19,730 6,733 2,736 1,737 2,747 24,748 8,749 3,750 10,751 2,755 5,760 0.8,761 3,779 5,783 1,799 1,803 4,805 1,807 1,808 1,811 35,814 1,816 1,817 4,818 2,821 1,832 1,833 5.1,835 1,836 2,841 17.917,842 10.776,843 7.444,844 3.52,847 4.458,848 1.524,849 1.003,850 6.538,851 12.961,852 3.98,853 4.659,854 5.247,855 5.832,856 6.445,857 6.784,858 7.262,859 7.724,860 8.203,861 8.56,862 0.9,863 61,864 13.171,865 6.013,866 7.872,867 24.648,868 21.104,869 2.372,870 83.028,874 247.193,875 132.99,876 86.133,877 39.149,878 86.996,880 6.046,881 126.944,882 373.338,883 86.133,884 8.825,885 9.28,886 109.343,887 137.108,888 39.664,889 1.899,890 247.193,891 39.149,892 247.193,893 213.077,894 86.996,895 45.195,897 200.109,898 134.081,900 60.315,901 102.651,902 95.306,904 247.193,905 173.129,906 172.139,908 6.046,909 247.193,910 32.833,911 94.111,912 36.022,913 176.256,914 247.193,915 173.129,916 172.139,918 0.596,919 0.352,920 0.185,921 0.104,922 29,923 13,924 0.079,925 5,926 1,927 1.071,928 4.565,929 337.409,930 0.071,931 28,932 169.525,935 1,936 23.803,937 9.614,938 4.92,939 1.265,940 173.129,941 15.196,942 13.092,946 4.305,948 78.705,949 592.461,950 52.5,953 -3.355,954 25.811,960 59.727,961 66.136,962 0.301,963 0.671,964 0.829,965 0.9,966 0.9,967 0.9,968 5.24,969 1.95,970 6.155,971 5.848,972 4.745,973 5.347,974 2.947,975 7.026,976 4.622,977 6.493,978 1.857,979 7.761,980 5.724,981 4.511,982 5.427,984 8.219,985 4.241,986 7.851,987 1.577,988 9.481,989 5.325,990 6.435,991 7.696,992 5.028,993 11.306,994 6.163,995 9.25,996 1.168,997 11.273,998 4.121,999 7.013,1000 8.583,1002 13.378,1003 6.566,1004 10.686,1005 1.095,1006 13.115,1007 3.216,1008 8.463,1009 10.387,1010 7.185,1011 16.081,1012 7.999,1013 12.149,1014 1,1015 14.996,1016 2.63,1017 9.404,1018 11.628,1020 18.487,1021 8.767,1022 13.633,1023 1,1024 16.905,1025 2.404,1026 10.69,1027 13.262,1028 9.348,1029 21.098,1030 10.001,1031 3.51,1032 0.94,1033 18.838,1034 2.275,1035 11.793,1036 14.664,1038 23.626,1039 10.943,1040 3.153,1041 13.61,1042 20.789,1043 2.136,1044 13.027,1045 16.233,1046 11.511,1047 26.221,1048 12.094,1049 2.901,1050 10.507,1051 22.756,1052 4.758,1053 14.2,1054 17.708,1056 28.795,1057 13.12,1058 2.607,1059 9.654,1060 24.735,1061 4.519,1062 15.423,1063 19.255,1064 13.675,1065 31.392,1066 14.239,1067 2.288,1068 7.657,1069 26.724,1070 3.982,1071 16.628,1072 20.764,1074 33.985,1075 15.304,1076 2.177,1077 6.663,1078 28.721,1079 3.493,1080 17.853,1081 22.304,1082 15.838,1083 36.587,1084 16.411,1085 2.062,1086 6.207,1087 30.725,1088 3.154,1089 19.075,1090 23.829,1092 39.188,1093 17.497,1094 19064,1095 32946,1096 25.948,1097 41.512,1098 59.327,1099 61.597,1100 60.778,1101 59.447,1102 59.299,1103 79.42,1104 7.5,1105 177.778,1106 55.751,1107 5.931,1108 7.351,1109 7.468,1110 5.486,1111 5.51,1112 7.758,1113 5.9,1114 21.567,1115 5.075,1116 17.983,1117 1.521,1118 1.579,1119 1.558,1120 1.524,1121 1.52,1122 2.036,1123 0.192,1124 4.558,1125 1.43,1126 4.137,1127 4.145,1128 4.749,1129 4.135,1130 7.713,1131 4.052,1132 4.066,1133 4.066,1134 4.101,1135 4.009,1136 6.999,1137 3.994,1138 3.857,1139 3.886,1140 3.925,1141 3.767,1142 6.471,1143 3.771,1144 3.785,1145 3.831,1146 3.731,1147 3.69,1148 5.167,1149 3.676,1150 3.541,1151 3.558,1152 3.552,1153 3.392,1154 4.887,1155 3.351,1156 3.374,1157 3.423,1158 3.361,1159 3.177,1160 4.705,1161 3.196,1162 3.19,1163 3.256,1164 3.325,1165 3.059,1166 4.445,1167 3.046,1168 3.111,1169 3.206,1170 3.048,1171 2.941,1172 4.349,1173 2.91,1174 0.126,1175 0.137,1176 0.197,1177 0.112,1178 0.09,1179 4.931,1180 0.122,1181 5.351,1182 0.076,1183 7.666,1184 0.349,1185 4.373,1186 0.079,1187 3.51,1188 4.758,1189 2.95,1190 13.61,1191 3.075,1192 2.039,1193 2.028,1194 2.094,1195 2.138,1196 1.474,1197 2.135,1198 2.005,1199 2.009,1200 2.034,1201 2.074,1202 1.244,1203 2.11,1204 1.817,1205 1.793,1206 1.959,1207 1.947,1208 1.115,1209 1.954,1210 1.778,1211 1.735,1212 1.885,1213 1.899,1214 0.993,1215 1.903,1216 1.4,1217 1.386,1218 1.554,1219 1.608,1220 0.825,1221 1.62,1222 1.28,1223 1.228,1224 1.513,1225 1.494,1226 0.707,1227 1.52,1228 1.192,1229 1.136,1230 1.386,1231 1.376,1232 0.605,1233 1.429,1234 1.153,1235 1.064,1236 1.311,1237 1.374,1238 0.381,1239 1.392,1240 4.369,1242 5.727,1244 7.286,1246 8.932,1248 10.623,1250 1.918,1251 6.32,1255 9.843,1256 2.685,1257 6.298,1260 -0.349,1267 39.534,1268 104.576,1269 232.998,1270 287.792,1271 312.321,1272 312.321,1273 312.321,1274 75.135,1275 8.502,1276 117.1,1277 125.48,1278 30,1279 12.907,1280 4.7,1281 3.858,1282 52.642,1283 184,1284 168,1285 0.139,1286 246.835,1287 421.71,1288 594.037,1289 67372,1290 1.7,1291 24.579,1292 0.702,1293 0.588,1294 25.329,1295 20.566,1296 16.808,1297 0.431,1298 0.338,1299 11.308,1300 15.208,1301 10.891,1302 8.976,1303 17.885,1304 13.192,1305 15.981,1306 0.28,1307 0.197,1308 17.671,1309 11.239,1310 13.516,1311 0.178,1312 0.116,1313 15.216,1314 8.783,1315 11.077,1316 0.113,1317 0.064,1318 12.46,1319 6.294,1320 9.386,1321 0.073,1322 0.035,1323 10.627,1324 4.441,1325 0.226,1326 115.71,1327 0.196,1328 32.689,1329 0.364,1330 192,1331 564.286,1332 262.367,1333 602.978,1334 814.1,1335 556,1336 229,1337 558.963,1338 301.871,1339 611.027,1340 892.59,1341 574,1342 8.387}
{0 CHEMBL255863,1 1.716,2 14.769,3 5.084,4 25.849,5 140.252,6 8.681,7 0.674,8 4.236,9 4.35,10 3.921,11 3.781,12 5.478,13 3.8,14 4.739,15 4.893,16 4.349,17 4.15,18 6.333,19 4.161,20 4.908,21 5.077,22 4.326,23 4.265,24 6.178,25 4.25,26 5.037,27 5.246,28 4.309,29 4.247,30 6.287,31 4.228,32 5.006,33 5.216,34 4.393,35 4.231,36 6.329,37 4.226,38 4.99,39 5.176,40 4.366,41 4.232,42 6.37,43 4.24,44 5.048,45 5.25,46 4.376,47 4.214,48 6.634,49 4.208,50 4.881,51 5.068,52 4.22,53 4.165,54 6.205,55 4.141,56 0.17,57 1.169,58 8.678,59 4.973,60 20.21,61 5.501,62 0.955,63 2.17,64 18.501,65 8.284,66 141.288,67 9.406,68 0.491,69 2.047,70 21.562,71 9.741,72 36.543,73 11.338,74 0.855,75 2.22,76 30.557,77 11.422,78 98.132,79 13.327,80 1.003,81 2.211,82 29.88,83 10.502,84 81.361,85 13.362,86 0.867,87 2.306,88 26.91,89 10.516,90 89.115,91 11.17,92 1.472,93 2.324,94 32.789,95 11.889,96 229.403,97 13.493,98 0.573,99 1.98,100 23.789,101 10.394,102 53.249,103 12.151,104 38,105 62,106 0.271,107 0.601,108 0.777,109 0.884,110 0.9,111 0.9,112 3.693,113 0.824,114 -4.91,115 -4.82,116 -4.52,118 45.9,119 2,130 1,138 9,139 4,140 3,141 3,142 2,146 1,147 1,151 1,153 1,163 9,166 2,167 9,170 3,172 5,173 10,177 6,182 6,184 6,187 1,188 13,191 1,193 5,195 4,200 10,203 1,204 1,205 2,208 7,212 2,213 7,216 2,218 2,221 10,224 2,225 2,228 2,230 3,233 14,236 1,237 4,242 1,245 11,249 13,252 1,254 3,257 7,260 3094,261 25.814,262 25.814,263 25.814,264 25.814,265 25.814,266 22.293,267 30.805,268 15.035,269 26.516,270 21.272,271 21.272,272 21.272,273 21.272,274 21.272,275 15.941,276 46.278,277 7.232,278 22.486,279 4.215,280 2.125,281 1.009,282 0.332,283 0.234,284 0.234,285 4.393,289 1,290 1254,291 4.062,293 114.279,294 548.768,301 2.26,302 57.195,305 0.75,306 0.83,307 0.83,308 0.5,310 0.83,311 1,312 0.68,313 87,314 576,315 4.516,316 4.461,317 7.125,318 4.212,319 3.338,320 4.104,321 3.825,322 11.744,323 2.993,324 4.341,325 3.578,326 6.23,327 3.965,328 2.986,329 3.987,330 1.058,331 9.365,332 2.921,333 4.247,334 3.065,335 6.194,336 3.853,337 2.904,338 3.889,339 0.4,340 9.271,341 2.802,342 4.213,343 3.035,344 6.156,345 3.814,346 2.867,347 3.686,349 9.107,350 2.624,351 3.94,352 2.856,353 5.884,354 3.599,355 2.624,356 3.318,358 8.158,359 2.555,360 3.765,361 2.59,362 5.369,363 3.341,364 2.389,365 3.207,367 7.021,368 2.252,369 3.687,370 2.418,371 5.267,372 3.229,373 2.28,374 3.079,376 6.633,377 2.147,378 3.38,379 2.249,380 4.994,381 3,382 2.039,383 2.664,385 5.878,386 1.957,387 3.207,388 1.888,389 4.546,390 2.733,391 1.775,392 2.493,394 4.537,395 1.698,396 2.882,397 1.829,398 4.413,399 2.451,400 1.521,401 2.009,403 4.415,404 1.398,405 2.854,406 1.804,407 4.165,408 2.412,409 1.441,410 1.972,411 3.71,412 1.387,413 2.715,414 1.54,415 4.08,416 2.225,417 1.24,418 1.806,419 3.324,420 1.209,421 2.709,422 1.262,423 3.993,424 2.206,425 1.212,426 1.72,427 3.127,428 1.196,429 2.566,430 1.23,431 3.541,432 2.074,433 1.119,434 1.592,435 2.791,436 1.062,437 2.5,438 1,439 3.429,440 1.961,441 1,442 1.5,443 2.387,444 0.958,445 17.99,446 0.461,447 1.192,448 0.031,449 56.75,450 1.455,451 30.5,452 0.782,453 26.25,454 0.673,455 30.899,456 0.792,457 40.81,458 0.669,459 50.805,460 1.303,461 11.496,462 0.295,463 7.156,464 0.183,465 0.122,466 0.028,467 0.328,469 3,471 0.624,472 1.087,473 0.632,474 1.01,475 0.588,476 0.869,477 0.46,478 0.785,479 0.665,480 0.88,481 0.388,482 0.848,483 0.76,484 1.049,485 0.956,486 1.154,487 0.62,488 1.121,489 1.06,490 1.016,491 1.05,492 1.021,493 1.025,494 1.022,495 0.706,496 0.779,497 0.767,498 0.854,499 0.79,500 0.838,501 1.259,502 1.119,503 1.112,504 1.034,505 1.253,506 1.017,507 1.072,508 0.938,509 1,510 0.903,511 1.176,512 0.93,513 0.878,514 1.073,515 0.946,516 1.157,517 0.837,518 1.102,519 10,520 0.33,521 4.444,522 2.535,523 2.388,524 1.514,525 1.2,526 0.895,527 0.468,528 0.398,529 25702,530 83160,531 2.073,532 36.1,533 3,534 9,535 1,536 4,537 2,538 3,542 1.794,543 1.926,544 3.82,545 0.187,550 104.655,551 1.716,552 3.806,553 4.922,554 5.599,555 5.697,556 5.697,557 3.234,558 4.888,559 5.259,560 4.011,561 2972.38,562 9.274,563 51240.4,568 361.775,569 1.568,570 5.205,571 0.233,572 0.008,573 0.072,574 0.042,575 0.041,576 0.024,577 0.02,578 0.015,579 0.009,580 0.008,581 0.471,582 0.17,583 0.75,584 0.686,585 219.503,586 -0.056,587 -0.147,588 0.029,589 -0.055,590 -0.102,591 -0.001,592 0.39,593 0.249,594 0.144,595 0.076,596 0.408,597 0.039,598 -0.096,599 -0.186,600 -0.141,601 -0.208,602 -0.017,603 -0.191,604 -0.136,605 -0.088,606 -0.079,607 -0.057,608 -0.117,609 -0.047,610 0.158,611 0.088,612 0.199,613 0.091,614 0.048,615 0.133,616 -0.171,617 -0.056,618 -0.175,619 -0.078,620 -0.154,621 -0.107,622 0.178,623 0.118,624 0.042,625 0.097,626 0.187,627 0.041,628 -0.045,629 -0.177,630 -0.032,631 -0.162,632 0.021,633 -0.111,634 5.851,635 6.105,636 0.744,637 46.154,638 1.025,639 1.139,640 3.679,641 13.535,642 0.691,643 3.784,644 4.143,645 4.369,646 4.615,647 4.868,648 4.927,649 5.088,650 5.176,651 5.273,652 5.323,653 8.641,654 0.685,655 529.57,656 3.784,657 5.352,658 6.196,659 7.083,660 7.946,661 8.831,662 9.701,663 10.586,664 11.46,665 12.344,666 11.5,673 1,674 2,676 4,681 14,682 4,686 10,687 1,688 29,694 1,699 1,705 61,706 30,707 2,708 43,710 65,711 28,712 24,713 6,714 6,715 1,717 5,718 5,721 3,726 1,729 25,730 3,733 1,737 1,740 1,745 3,747 22,748 10,749 2,750 11,753 1,755 7,760 1,761 1,773 1,774 1,778 1,779 4,803 5,807 2,809 3,811 39,818 2,823 1,832 3,833 1.6,836 1,841 20.25,842 11.762,843 8.278,844 3.41,847 5.103,848 1.603,849 1.019,850 7.146,851 13.567,852 4.086,853 4.721,854 5.288,855 5.865,856 6.4,857 6.641,858 7.065,859 7.408,860 7.777,861 8.076,862 0.9,863 61,864 14.942,865 6.945,866 8.105,867 26.449,868 21.427,869 2.605,870 101.583,874 235.422,875 188.634,876 105.063,878 25.145,879 44.88,881 188.634,882 260.567,883 149.943,884 17.65,885 18.011,886 94.334,887 152.695,888 118.458,889 13.67,890 176.567,891 7.76,892 235.422,893 293.697,894 70.025,897 235.422,898 70.025,900 106.504,901 120.051,902 67.142,904 280.302,905 130.208,906 188.634,909 243.182,910 33.13,911 149.644,912 36.022,913 137.167,914 235.422,915 175.088,916 188.634,918 0.594,919 0.333,920 0.172,921 0.1,922 30,923 14,924 0.092,925 6,927 1,928 4.832,929 388.098,931 29,932 201.376,936 26.09,937 10.683,938 6.14,940 173.189,941 21.707,942 16.954,946 3.407,947 1.466,948 36.022,949 599.144,950 58.5,954 13.105,957 -0.574,960 62.53,961 69.453,962 0.289,963 0.642,964 0.83,965 0.944,966 0.961,967 0.961,968 5.334,969 2.039,970 6.217,971 6.633,972 4.828,973 5.409,974 3.153,975 7.043,976 4.725,977 6.571,978 1.775,979 7.793,980 5.878,981 4.575,982 5.223,983 3.903,984 8.089,985 4.358,986 7.891,987 1.521,988 9.473,989 4.537,990 6.482,991 7.607,992 5.432,993 11.104,994 6.263,995 9.244,996 1.441,997 11.215,998 4.415,999 7.004,1000 8.172,1001 6.69,1002 12.95,1003 6.662,1004 10.624,1005 1.24,1006 12.998,1007 3.71,1008 8.431,1009 10.051,1010 8.059,1011 15.535,1012 8.072,1013 12.024,1014 1.212,1015 14.809,1016 3.324,1017 9.295,1018 10.98,1019 9.388,1020 17.711,1021 8.817,1022 13.438,1023 1.119,1024 16.642,1025 3.127,1026 10.543,1027 12.624,1028 10.734,1029 20.169,1030 10.025,1031 3.338,1032 1,1033 18.493,1034 2.791,1035 11.563,1036 13.75,1037 12.074,1038 22.49,1039 10.934,1040 2.986,1041 11.744,1042 20.357,1043 2.387,1044 12.745,1045 15.272,1046 13.416,1047 24.919,1048 12.055,1049 2.904,1050 9.365,1051 22.234,1052 4.104,1053 13.84,1054 16.509,1055 14.758,1056 27.306,1057 13.045,1058 2.867,1059 9.271,1060 24.12,1061 3.987,1062 15.004,1063 17.967,1064 16.1,1065 29.737,1066 14.131,1067 2.624,1068 9.107,1069 26.016,1070 3.889,1071 16.136,1072 19.266,1073 17.441,1074 32.158,1075 15.159,1076 2.389,1077 8.158,1078 27.92,1079 3.686,1080 17.298,1081 20.691,1082 18.783,1083 34.597,1084 16.232,1085 2.28,1086 7.021,1087 29.83,1088 3.318,1089 18.452,1090 22.027,1091 20.124,1092 37.035,1093 17.281,1094 24093,1095 43633,1096 28.433,1097 42.159,1098 66.416,1099 66.191,1100 65.954,1101 65.455,1102 65.288,1103 87.634,1104 10.567,1105 191.684,1106 61.873,1107 5.361,1108 6.461,1109 6.927,1110 5.283,1111 5.338,1112 7.104,1113 5.335,1114 18.855,1115 4.993,1116 20.985,1117 1.545,1118 1.539,1119 1.534,1120 1.522,1121 1.518,1122 2.038,1123 0.246,1124 4.458,1125 1.439,1126 4.066,1127 4.107,1128 4.029,1129 3.952,1130 8.513,1131 3.964,1132 3.979,1133 4.02,1134 3.94,1135 3.873,1136 7.999,1137 3.882,1138 3.906,1139 3.938,1140 3.859,1141 3.821,1142 7.999,1143 3.827,1144 3.78,1145 3.826,1146 3.74,1147 3.625,1148 7.429,1149 3.645,1150 3.669,1151 3.725,1152 3.615,1153 3.506,1154 5.05,1155 3.526,1156 3.428,1157 3.47,1158 3.407,1159 3.209,1160 4.963,1161 3.237,1162 3.271,1163 3.321,1164 3.234,1165 3.016,1166 4.84,1167 3.055,1168 3.09,1169 3.186,1170 2.959,1171 2.895,1172 4.687,1173 2.897,1174 0.105,1175 0.104,1176 0.166,1177 0.098,1178 0.078,1179 4.516,1180 0.095,1181 4.461,1182 0.089,1183 7.125,1184 0.273,1185 4.212,1186 0.07,1187 3.338,1188 4.104,1189 3.825,1190 11.744,1191 2.993,1192 1.959,1193 1.933,1194 2.045,1195 2.075,1196 1.17,1197 2.064,1198 1.915,1199 1.886,1200 1.996,1201 2.039,1202 1.134,1203 2.026,1204 1.88,1205 1.85,1206 1.976,1207 1.98,1208 1.027,1209 1.982,1210 1.609,1211 1.558,1212 1.753,1213 1.796,1214 0.829,1215 1.78,1216 1.535,1217 1.479,1218 1.729,1219 1.714,1220 0.692,1221 1.727,1222 1.357,1223 1.3,1224 1.566,1225 1.619,1226 0.634,1227 1.588,1228 1.305,1229 1.253,1230 1.466,1231 1.566,1232 0.521,1233 1.527,1234 1.092,1235 1.033,1236 1.272,1237 1.374,1238 0.305,1239 1.359,1240 4.466,1242 5.814,1243 2.398,1244 7.339,1245 4.595,1246 8.94,1247 6.555,1248 10.582,1250 3.581,1252 40.827,1257 5.712,1262 -4.601,1267 41.756,1268 104.655,1269 232.168,1270 300.226,1271 341.51,1272 347.51,1273 347.51,1274 85.784,1275 8.465,1276 97.62,1277 97.62,1278 29,1279 12.879,1280 4.954,1281 4.044,1282 61.503,1283 204,1284 206,1285 0.144,1286 253.629,1287 441.06,1288 610.615,1289 68091,1290 4.9,1291 27.57,1292 0.707,1293 0.535,1294 25.07,1295 20.861,1296 18.652,1297 0.434,1298 0.275,1299 11.601,1300 17.793,1301 11.329,1302 9.408,1303 17.441,1304 11.813,1305 18.024,1306 0.291,1307 0.142,1308 16.067,1309 8.805,1310 14.157,1311 0.181,1312 0.075,1313 13.168,1314 5.872,1315 11.472,1316 0.115,1317 0.039,1318 11.083,1319 3.874,1320 9.646,1321 0.075,1322 0.02,1323 8.933,1324 2.634,1325 0.229,1326 117.947,1327 0.188,1328 35.356,1329 0.383,1330 210,1331 808.96,1332 242.858,1333 710.72,1334 948.68,1335 660,1336 245,1337 687.524,1338 271.652,1339 681.67,1340 1009.01,1341 638,1342 5.959}
{0 CHEMBL256101,1 1.675,2 15.629,3 5.086,4 25.866,5 135.636,6 8.508,7 0.59,8 4.208,9 4.319,10 3.894,11 3.786,12 5.3,13 3.763,14 4.759,15 4.917,16 4.302,17 4.2,18 5.838,19 4.162,20 5.05,21 5.245,22 4.392,23 4.342,24 6.133,25 4.268,26 5.026,27 5.241,28 4.399,29 4.285,30 6.123,31 4.187,32 4.926,33 5.141,34 4.189,35 4.184,36 5.943,37 4.091,38 4.841,39 5.063,40 4.22,41 4.105,42 5.919,43 4.041,44 4.76,45 4.947,46 4.131,47 4.082,48 5.921,49 3.997,50 4.703,51 4.926,52 3.806,53 3.976,54 5.669,55 3.853,56 0.119,57 0.883,58 10.067,59 5.173,60 9.247,61 6.537,62 0.279,63 1.443,64 21.631,65 9.181,66 24.395,67 11.55,68 0.619,69 1.755,70 36.615,71 12.654,72 64.05,73 15.704,74 0.668,75 1.654,76 42.833,77 12.976,78 79.492,79 16.472,80 0.495,81 1.537,82 37.482,83 11.553,84 48.084,85 14.957,86 0.516,87 1.458,88 30.461,89 9.452,90 46.867,91 12.308,92 0.573,93 1.302,94 31.96,95 9.42,96 56.4,97 12.181,98 0.308,99 1.278,100 23.336,101 9.463,102 35.308,103 12.758,104 17,105 56,106 0.268,107 0.593,108 0.752,109 0.827,110 0.827,111 0.827,112 3.588,113 0.957,114 -2.37,115 -2.4,116 -2.35,118 43.3,119 1,120 2,124 4,138 9,139 3,140 4,142 2,146 1,159 1,163 10,165 1,166 1,167 4,170 2,172 2,173 14,175 2,176 1,177 8,179 1,180 1,182 2,184 12,185 2,188 10,189 1,193 1,195 14,200 12,203 1,205 3,208 6,211 2,213 6,218 1,221 7,222 2,223 2,224 2,225 9,230 1,233 13,234 2,236 1,237 2,244 1,245 12,249 1,254 4,255 1,257 4,260 2364,261 23.585,262 23.585,263 23.585,264 23.585,265 23.585,266 20.783,267 27.254,268 13.679,269 24.261,270 19.234,271 19.234,272 19.234,273 19.234,274 19.234,275 15.065,276 35.708,277 6.468,278 20.442,279 4.232,280 2.207,281 1.213,282 0.746,283 0.746,284 0.746,285 4.294,286 2,289 1,290 1204,291 3.464,293 116.017,294 442.994,298 169.406,301 2.704,302 34.356,305 0.75,306 0.83,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.78,313 75.167,314 547,315 4.605,316 3.624,317 6.971,318 4.209,319 3.279,320 4.526,321 1.121,322 11.772,323 3.083,324 4.365,325 3.397,326 6.749,327 4.157,328 3.19,329 4.074,330 0.86,331 10.965,332 3.046,333 4.279,334 3.107,335 6.459,336 3.9,337 2.957,338 3.652,339 0.4,340 9.979,341 2.767,342 4.058,343 2.918,344 5.6,345 3.643,346 2.684,347 3.279,349 7.727,350 2.571,351 3.732,352 2.684,353 5.322,354 3.314,355 2.389,356 3.175,358 6.912,359 2.202,360 3.457,361 2.623,362 5.127,363 3.032,364 2.08,365 2.811,367 6.067,368 1.974,369 3.411,370 2.246,371 5.067,372 2.96,373 1.986,374 2.777,376 5.801,377 1.911,378 3.268,379 2.139,380 4.901,381 2.809,382 1.879,383 2.566,385 5.563,386 1.753,387 3.232,388 1.973,389 4.841,390 2.707,391 1.861,392 2.481,394 5.104,395 1.441,396 2.722,397 1.613,398 3.93,399 2.444,400 1.461,401 1.828,403 3.131,404 1.435,405 2.5,406 1.362,407 3.899,408 2.222,409 1.241,410 1.5,411 3.034,412 1.204,413 2.48,414 1.318,415 3.648,416 2.049,417 1.116,418 1.48,419 2.448,420 1.03,421 2.427,422 1.1,423 3.618,424 2,425 1,426 1.395,427 2.411,428 1,429 2.176,430 1,431 3.414,432 1.935,433 0.98,434 1.164,435 2.275,436 0.927,437 1.621,438 0.744,439 3.345,440 1.591,441 0.618,442 0.618,443 1.464,444 0.6,445 17.095,446 0.488,447 0.944,448 0.027,449 46,450 1.314,451 23,452 0.657,453 23,454 0.657,455 31.925,456 0.912,457 36.905,458 0.615,459 35.197,460 1.006,461 8.88,462 0.254,463 8.02,464 0.229,465 0.132,466 0.023,467 0.292,471 0.608,472 1.227,473 0.569,474 0.925,475 0.568,476 0.875,477 0.899,478 1.086,479 0.652,480 0.886,481 0.7,482 0.866,483 1.287,484 0.986,485 0.919,486 0.885,487 1.436,488 0.933,489 1.106,490 1.028,491 0.878,492 0.872,493 1.2,494 0.907,495 1.105,496 1.124,497 1.104,498 1.023,499 0.792,500 0.99,501 1.134,502 0.961,503 0.771,504 0.722,505 0.773,506 0.766,507 0.934,508 1.035,509 1.228,510 1.164,511 1.037,512 1.107,513 0.641,514 1.096,515 0.718,516 1.066,517 0.832,518 1.144,519 8,520 0.21,521 4,522 2.694,523 1.858,524 1.219,525 0.958,526 0.398,527 0.357,528 0.22,529 21860,530 61265,531 2.116,532 41.7,533 3,534 17,537 1,539 4,542 1.759,543 1.991,544 3.842,545 -0.345,550 100.496,551 1.675,552 3.7,553 4.694,554 5.161,555 5.161,556 5.161,557 3.303,558 4.536,559 5.097,560 4.111,561 2445.76,562 8.905,563 40760,568 354.413,569 1.482,570 5.06,571 0.205,572 0.008,573 0.071,574 0.048,575 0.037,576 0.026,577 0.021,578 0.009,579 0.011,580 0.008,581 0.446,582 0.33,583 0.75,584 0.504,585 194.05,586 0.091,587 -0.058,588 0.03,589 -0.021,590 -0.017,591 0.001,592 -0.009,593 0.015,594 0.055,595 0.031,596 0.065,597 0.04,598 -0.133,599 0.027,600 -0.027,601 0.065,602 -0.132,603 0.006,604 -0.007,605 -0.062,606 0.13,607 0.115,608 0.004,609 0.075,610 -0.099,611 -0.131,612 -0.071,613 -0.043,614 -0.066,615 -0.013,616 -0.1,617 0.097,618 0.115,619 0.199,620 0.025,621 0.169,622 0.08,623 -0.005,624 -0.149,625 -0.182,626 0.028,627 -0.153,628 0.043,629 -0.097,630 -0.035,631 -0.122,632 -0.079,633 -0.155,634 1.641,635 5.403,636 0.771,637 50.049,638 1.009,639 1.123,640 1.135,641 1.289,642 0.7,643 3.689,644 4.043,645 4.304,646 4.564,647 4.754,648 4.836,649 4.99,650 5.147,651 5.293,652 5.38,653 9.178,654 0.666,655 510.46,656 3.689,657 5.252,658 6.107,659 6.997,660 7.863,661 8.755,662 9.627,663 10.52,664 11.395,665 12.289,666 8.3,674 1,676 3,678 1,679 1,680 2,681 9,682 3,686 8,688 23,699 1,703 1,704 2,705 60,706 23,707 3,708 39,710 64,711 26,712 19,713 9,714 9,717 5,718 6,719 2,721 1,724 2,727 2,729 19,730 7,747 25,748 6,749 1,750 9,751 2,755 5,756 1,759 1,760 0.8,761 2,776 1,778 1,779 4,783 1,803 4,807 1,808 2,811 35,817 6,818 1,819 1,824 1,832 2,833 3.3,838 1,840 1,841 17.583,842 11.195,843 7.514,844 3.812,847 4.391,848 1.519,849 0.989,850 6.876,851 12.851,852 3.942,853 4.58,854 5.168,855 5.773,856 6.366,857 6.697,858 7.182,859 7.683,860 8.152,861 8.492,862 1,863 56,864 12.943,865 5.594,866 7.711,867 24.796,868 20.717,869 2.211,870 77.389,874 282.506,875 140.835,876 68.122,877 78.297,878 37.836,881 140.835,882 398.64,883 68.122,884 8.825,885 42.815,886 85.286,887 50.112,888 57.857,889 1.899,890 282.506,891 78.297,892 282.506,893 208.958,894 37.836,895 78.297,897 262.258,898 58.084,900 49.002,901 109.844,902 128.409,904 282.506,905 105.958,906 219.133,909 282.506,910 46.724,911 94.111,912 18.011,913 166.245,914 282.506,915 105.958,916 219.133,918 0.591,919 0.344,920 0.183,921 0.092,922 28,923 12,924 0.109,925 7,926 1,927 1.074,928 4.698,929 328.115,930 0.074,931 27,932 165.525,936 23.927,937 10.059,938 5.401,939 1.396,940 105.958,941 16.817,942 13.264,946 5.646,948 18.011,949 607.598,950 50.5,960 60.531,961 67.366,962 0.284,963 0.626,964 0.795,965 0.874,966 0.874,967 0.874,968 5.197,969 1.879,970 6.12,971 5.801,972 4.727,973 5.268,974 1.499,975 6.961,976 4.61,977 6.424,978 1.861,979 7.702,980 5.563,981 4.443,982 5.156,983 0.81,984 8.093,985 4.221,986 7.753,987 1.461,988 9.39,989 5.104,990 6.392,991 7.511,992 1.332,993 11.113,994 6.17,995 9.116,996 1.241,997 11.142,998 3.131,999 6.919,1000 8.188,1001 1.011,1002 13.066,1003 6.601,1004 10.509,1005 1.116,1006 12.936,1007 3.034,1008 8.362,1009 10.05,1010 1.338,1011 15.661,1012 8.033,1013 11.922,1014 1,1015 14.761,1016 2.448,1017 9.246,1018 11.111,1019 1.17,1020 17.917,1021 8.831,1022 13.352,1023 0.98,1024 16.606,1025 2.411,1026 10.505,1027 12.764,1028 1.41,1029 20.392,1030 10.063,1031 3.279,1032 0.618,1033 18.469,1034 2.275,1035 11.545,1036 14.03,1037 1.334,1038 22.759,1039 11.029,1040 3.19,1041 11.772,1042 20.343,1043 1.464,1044 12.737,1045 15.588,1046 1.522,1047 25.201,1048 12.182,1049 2.957,1050 10.965,1051 22.228,1052 4.526,1053 13.845,1054 16.962,1055 1.508,1056 27.609,1057 13.224,1058 2.684,1059 9.979,1060 24.12,1061 4.074,1062 15.015,1063 18.479,1064 1.662,1065 30.045,1066 14.347,1067 2.389,1068 7.727,1069 26.018,1070 3.652,1071 16.154,1072 19.911,1073 1.69,1074 32.471,1075 15.424,1076 2.08,1077 6.912,1078 27.921,1079 3.279,1080 17.317,1081 21.411,1082 1.824,1083 34.909,1084 16.536,1085 1.986,1086 6.067,1087 29.828,1088 3.175,1089 18.471,1090 22.874,1091 1.88,1092 37.344,1093 17.631,1094 20240,1095 34170,1096 26.235,1097 42.029,1098 58.539,1099 59.251,1100 60.108,1101 58.678,1102 58.303,1103 75.69,1104 4.762,1105 171.498,1106 54.661,1107 5.564,1108 5.624,1109 6.545,1110 5.295,1111 5.279,1112 7.526,1113 1.981,1114 18.669,1115 5.083,1116 16.311,1117 1.501,1118 1.519,1119 1.541,1120 1.505,1121 1.495,1122 1.941,1123 0.122,1124 4.397,1125 1.402,1126 4.098,1127 4.13,1128 4.152,1129 4.025,1130 7.235,1131 4.028,1132 3.952,1133 4.009,1134 3.966,1135 3.833,1136 5.174,1137 3.836,1138 3.89,1139 3.923,1140 3.861,1141 3.772,1142 5.001,1143 3.772,1144 3.833,1145 3.858,1146 3.793,1147 3.722,1148 4.846,1149 3.729,1150 3.448,1151 3.509,1152 3.582,1153 3.236,1154 4.632,1155 3.259,1156 3.369,1157 3.44,1158 3.379,1159 3.177,1160 4.463,1161 3.183,1162 3.19,1163 3.262,1164 3.221,1165 3.059,1166 4.35,1167 3.045,1168 2.997,1169 3.052,1170 3.07,1171 2.849,1172 4.178,1173 2.838,1174 0.118,1175 0.093,1176 0.179,1177 0.108,1178 0.084,1179 4.605,1180 0.116,1181 3.624,1182 0.029,1183 6.971,1184 0.302,1185 4.209,1186 0.079,1187 3.279,1188 4.526,1189 1.121,1190 11.772,1191 3.083,1192 2.036,1193 2.016,1194 2.088,1195 2.135,1196 1.247,1197 2.121,1198 1.885,1199 1.86,1200 1.99,1201 2.006,1202 1.242,1203 2.001,1204 1.808,1205 1.787,1206 1.884,1207 1.933,1208 1.211,1209 1.922,1210 1.665,1211 1.595,1212 1.872,1213 1.886,1214 1.062,1215 1.892,1216 1.577,1217 1.507,1218 1.86,1219 1.751,1220 1.001,1221 1.793,1222 1.334,1223 1.269,1224 1.556,1225 1.583,1226 0.8,1227 1.571,1228 1.214,1229 1.146,1230 1.519,1231 1.465,1232 0.607,1233 1.483,1234 1.183,1235 1.116,1236 1.374,1237 1.377,1238 0.375,1239 1.401,1240 4.369,1242 5.714,1243 2.398,1244 7.248,1245 4.595,1246 8.869,1247 6.555,1248 10.536,1250 1.97,1251 12.776,1256 4.3,1257 3.186,1258 5.77,1263 -0.141,1267 39.986,1268 100.496,1269 221.997,1270 281.619,1271 309.659,1272 309.659,1273 309.659,1274 64.353,1275 8.459,1276 77,1277 77,1278 29,1279 12.819,1280 4.585,1281 3.644,1282 52.753,1283 194,1284 181,1285 0.13,1286 249.633,1287 426.92,1288 600.864,1289 66873,1290 3.3,1291 24.416,1292 0.698,1293 0.595,1294 25.416,1295 20.834,1296 16.9,1297 0.433,1298 0.319,1299 11.597,1300 15.733,1301 11.296,1302 9.285,1303 17.477,1304 12.441,1305 15.807,1306 0.282,1307 0.175,1308 16.549,1309 9.813,1310 13.181,1311 0.181,1312 0.097,1313 13.855,1314 7.061,1315 11.175,1316 0.118,1317 0.054,1318 12.027,1319 5.173,1320 8.488,1321 0.074,1322 0.026,1323 8.859,1324 2.956,1325 0.214,1326 111.662,1327 0.195,1328 33.082,1329 0.334,1330 190,1331 555.717,1332 237.508,1333 595.909,1334 797.54,1335 556,1336 224,1337 547.916,1338 265.335,1339 569.08,1340 835.47,1341 537,1342 8.224}
{0 CHEMBL259084,1 1.805,2 12.382,3 6.167,4 38.036,5 123.999,6 9.732,7 0.632,8 4.038,9 4.122,10 3.816,11 3.667,12 5.347,13 3.681,14 4.508,15 4.617,16 4.228,17 4.057,18 5.92,19 4.061,20 4.792,21 4.932,22 4.383,23 4.222,24 6.131,25 4.224,26 4.87,27 5.039,28 4.381,29 4.18,30 6.355,31 4.184,32 4.817,33 4.98,34 4.353,35 4.193,36 6.118,37 4.187,38 4.846,39 5.019,40 4.384,41 4.181,42 6.209,43 4.165,44 4.792,45 4.977,46 4.335,47 4.091,48 6.219,49 4.054,50 4.613,51 4.797,52 4.07,53 3.902,54 6.046,55 3.858,56 0.191,57 0.819,58 4.764,59 3.856,60 24.096,61 3.682,62 0.415,63 1.332,64 8.932,65 6.355,66 53.058,67 6.425,68 0.585,69 1.774,70 17.729,71 8.989,72 73.495,73 8.972,74 1.019,75 2.073,76 21.224,77 9.337,78 133.233,79 9.046,80 0.701,81 1.794,82 18.749,83 9.09,84 97.64,85 9.039,86 0.853,87 1.966,88 20.823,89 9.764,90 104.276,91 9.633,92 0.951,93 1.667,94 27.385,95 10.125,96 113.46,97 10.879,98 0.83,99 1.414,100 22.3,101 8.175,102 96.873,103 9.093,104 27,105 55,106 0.297,107 0.632,108 0.764,109 0.856,110 0.865,111 0.865,112 3.561,113 0.832,114 -5.59,115 -5.46,116 -5.09,118 51,124 1,138 10,139 5,140 4,141 1,142 1,146 1,150 1,151 1,160 1,162 1,163 10,164 1,166 1,167 7,170 3,172 3,173 15,174 2,177 6,182 4,184 11,185 2,187 2,188 12,193 5,195 7,200 10,205 2,206 1,208 7,213 6,216 2,217 1,218 2,221 11,225 2,226 2,230 1,233 14,236 2,237 6,240 2,242 1,245 12,249 3,254 2,257 8,258 2,260 2032,261 22.878,262 22.878,263 22.878,264 22.878,265 22.878,266 19.557,267 25.112,268 13.193,269 23.346,270 18.738,271 18.738,272 18.738,273 18.738,274 18.738,275 13.783,276 35.76,277 6.247,278 19.613,279 3.81,280 1.781,281 0.979,282 0.424,283 0.367,284 0.367,285 4.268,286 1,289 1,290 921,291 3.162,294 329.203,295 77.306,299 253.799,301 1.934,302 55.089,305 0.75,306 0.83,307 1,308 0.4,310 1,311 1,312 0.71,313 75.333,314 421,315 4.647,316 3.576,317 6.978,318 4.274,319 3.296,320 4.341,321 1.437,322 11.854,323 3.224,324 4.372,325 3.498,326 6.595,327 3.967,328 3.002,329 4.046,330 0.795,331 10.436,332 2.892,333 4.174,334 3.203,335 5.962,336 3.788,337 2.797,338 3.769,339 0.4,340 8.375,341 2.77,342 4.032,343 2.936,344 5.929,345 3.589,346 2.637,347 3.635,349 8.223,350 2.503,351 3.754,352 2.779,353 5.516,354 3.394,355 2.433,356 3.106,358 7.402,359 2.334,360 3.574,361 2.6,362 5.204,363 3.075,364 2.159,365 2.925,367 6.067,368 1.982,369 3.423,370 2.592,371 4.985,372 2.96,373 2.012,374 2.74,376 5.881,377 1.894,378 3.329,379 2.342,380 4.968,381 2.925,382 1.988,383 2.585,385 5.772,386 1.765,387 3.232,388 2.23,389 4.841,390 2.787,391 1.879,392 2.481,394 5.104,395 1.678,396 2.81,397 1.817,398 4.262,399 2.347,400 1.355,401 1.948,403 3.529,404 1.341,405 2.76,406 1.379,407 3.904,408 2.245,409 1.247,410 1.762,411 2.955,412 1.224,413 2.605,414 1.288,415 3.779,416 2.058,417 1.104,418 1.633,419 2.874,420 1.046,421 2.578,422 1.166,423 3.724,424 2.028,425 1.084,426 1.567,427 2.665,428 1.011,429 2.5,430 1,431 3.414,432 2,433 1,434 1.5,435 2.275,436 1,437 1.744,438 0.973,439 3.208,440 1.47,441 0.538,442 0.623,443 1.345,444 0.494,445 16.052,446 0.472,447 0.942,448 0.028,449 49.75,450 1.463,451 27.5,452 0.809,453 22.25,454 0.654,455 26.121,456 0.768,457 34.348,458 0.701,459 42.534,460 1.251,461 10.152,462 0.299,463 6.25,464 0.184,465 0.122,467 0.405,470 2,471 0.648,472 0.908,473 0.538,474 0.79,475 0.614,476 0.726,477 0.571,478 0.913,479 0.627,480 0.879,481 0.522,482 0.862,483 0.921,484 1.168,485 0.923,486 1.059,487 0.839,488 0.995,489 0.955,490 0.944,491 0.902,492 0.896,493 0.886,494 0.943,495 0.953,496 1.075,497 0.837,498 0.918,499 0.899,500 0.938,501 1.131,502 1.213,503 1.032,504 0.978,505 1.105,506 1.019,507 0.868,508 0.99,509 1.131,510 1.052,511 0.822,512 1.027,513 0.815,514 0.892,515 1.255,516 1.079,517 0.85,518 1.124,519 7,520 0.273,521 4.222,522 2.813,523 2.367,524 1.295,525 1.246,526 0.642,527 0.359,528 0.233,529 16087,530 58975,531 2.109,532 30.6,534 12,536 1,537 2,542 1.763,543 1.962,544 3.522,545 0.206,550 88.421,551 1.805,552 3.834,553 4.636,554 5.191,555 5.247,556 5.247,557 3.069,558 4.536,559 5.053,560 3.736,561 2095.78,562 8.88,563 30760.9,568 275.121,569 1.449,570 5.014,571 0.184,572 0.01,573 0.077,574 0.045,575 0.039,576 0.022,577 0.022,578 0.013,579 0.009,580 0.008,581 0.43,582 0.17,583 0.63,584 0.706,585 179.981,586 -0.07,587 -0.037,588 -0.005,589 0.044,590 -0.081,591 0.049,592 0.073,593 -0.007,594 0.008,595 -0.023,596 0.078,597 -0.043,598 -0.119,599 -0.196,600 -0.096,601 -0.142,602 -0.069,603 -0.097,604 0.007,605 0.097,606 -0.058,607 0.022,608 0.047,609 -0.028,610 -0.127,611 -0.11,612 -0.015,613 0.004,614 -0.107,615 -0.003,616 -0.105,617 -0.05,618 -0.048,619 -0.002,620 -0.127,621 -0.064,622 0.095,623 -0.002,624 0.114,625 -0.014,626 0.08,627 0.034,628 0.145,629 0.096,630 -0.073,631 -0.063,632 0.048,633 -0.088,634 2.69,635 6.647,636 0.794,637 37.311,638 1.033,639 1.121,640 4.358,641 18.992,642 0.735,643 3.664,644 4.025,645 4.331,646 4.635,647 4.934,648 5.1,649 5.283,650 5.468,651 5.628,652 5.79,653 7.157,654 0.731,655 476.89,656 3.664,657 5.231,658 6.103,659 7.002,660 7.892,661 8.798,662 9.697,663 10.606,664 11.51,665 12.421,666 8.2,674 1,675 1,676 2,681 11,682 2,686 11,688 24,690 1,696 1,699 1,704 3,705 49,706 26,707 3,708 38,710 53,711 25,712 22,713 8,714 10,715 2,717 5,718 8,719 1,729 24,730 1,733 2,737 1,739 1,740 2,745 2,747 15,748 8,749 2,750 9,751 1,755 4,760 0.6,761 2,774 1,779 4,780 1,784 2,801 1,803 3,808 1,809 2,811 34,816 1,817 1,818 1,832 3,833 4.1,835 1,836 1,841 17.333,842 9.062,843 7.306,844 2.788,847 4.626,848 1.539,849 1.023,850 5.724,851 13.208,852 3.97,853 4.625,854 5.239,855 5.854,856 6.456,857 6.788,858 7.244,859 7.716,860 8.176,861 8.639,862 1,863 63,864 12.643,865 5.702,866 8.141,867 23.015,868 19.144,869 2.641,870 89.778,874 153.024,875 154.665,876 68.367,877 39.149,878 67.828,879 29.92,881 154.665,882 260.001,883 98.288,885 2.106,886 94.762,887 116.837,888 87.028,889 31.819,890 141.253,891 39.149,892 153.024,893 223.033,894 97.748,895 39.149,897 182.945,898 67.828,900 50.605,901 138.856,902 72.72,904 182.945,905 136.196,906 193.814,909 153.024,910 50.855,911 103.81,912 18.011,913 187.254,914 153.024,915 166.116,916 193.814,918 0.592,919 0.349,920 0.191,921 0.109,922 28,923 13,924 0.075,925 4,926 2,927 1.148,928 4.306,929 341.506,930 0.148,931 27,932 162.974,936 21.998,937 8.847,938 4.261,940 166.116,941 16.41,942 8.955,946 1.983,948 60.694,949 512.954,950 52,954 11.063,956 4.501,957 -0.88,960 50.596,961 54.942,962 0.321,963 0.683,964 0.826,965 0.925,966 0.935,967 0.935,968 5.22,969 1.988,970 6.107,971 5.881,972 4.71,973 5.313,974 1.904,975 6.956,976 4.624,977 6.458,978 1.879,979 7.69,980 5.772,981 4.369,982 5.156,984 7.932,985 4.221,986 7.784,987 1.355,988 9.373,989 5.104,990 6.34,991 7.544,992 2.339,993 11.06,994 6.196,995 9.144,996 1.247,997 11.113,998 3.529,999 6.792,1000 8.163,1002 12.879,1003 6.607,1004 10.531,1005 1.104,1006 12.893,1007 2.955,1008 8.254,1009 10.038,1010 2.95,1011 15.545,1012 8.066,1013 11.94,1014 1.084,1015 14.7,1016 2.874,1017 9.075,1018 11.036,1020 17.725,1021 8.858,1022 13.366,1023 1,1024 16.527,1025 2.665,1026 10.339,1027 12.684,1028 3.627,1029 20.24,1030 10.111,1031 3.296,1032 0.538,1033 18.372,1034 2.275,1035 11.338,1036 13.884,1038 22.576,1039 11.087,1040 3.002,1041 11.854,1042 20.23,1043 1.345,1044 12.527,1045 15.421,1046 4.332,1047 25.043,1048 12.26,1049 2.797,1050 10.436,1051 22.099,1052 4.341,1053 13.611,1054 16.731,1056 27.446,1057 13.322,1058 2.637,1059 8.375,1060 23.977,1061 4.046,1062 14.776,1063 18.215,1064 5.048,1065 29.901,1066 14.469,1067 2.433,1068 8.223,1069 25.863,1070 3.769,1071 15.902,1072 19.585,1074 32.334,1075 15.574,1076 2.159,1077 7.402,1078 27.756,1079 3.635,1080 17.063,1081 21.046,1082 5.769,1083 34.789,1084 16.715,1085 2.012,1086 6.067,1087 29.654,1088 3.106,1089 18.21,1090 22.449,1092 37.236,1093 17.841,1094 15175,1095 29191,1096 25.372,1097 35.995,1098 58.124,1099 59.491,1100 59.757,1101 57.645,1102 57.351,1103 77.67,1104 5.263,1105 170.248,1106 54.576,1107 5.451,1108 5.576,1109 6.523,1110 5.346,1111 5.296,1112 7.341,1113 2.873,1114 19.521,1115 5.224,1116 17.759,1117 1.53,1118 1.566,1119 1.573,1120 1.517,1121 1.509,1122 2.044,1123 0.139,1124 4.48,1125 1.436,1126 4.08,1127 4.108,1128 4.095,1129 4.006,1130 8.21,1131 4.012,1132 3.928,1133 3.954,1134 3.891,1135 3.852,1136 8.191,1137 3.854,1138 3.866,1139 3.89,1140 3.868,1141 3.789,1142 7.475,1143 3.794,1144 3.703,1145 3.738,1146 3.767,1147 3.593,1148 6.351,1149 3.601,1150 3.376,1151 3.428,1152 3.386,1153 3.174,1154 5.051,1155 3.2,1156 3.263,1157 3.276,1158 3.243,1159 3.052,1160 4.889,1161 3.086,1162 2.988,1163 3.035,1164 3.156,1165 2.825,1166 4.689,1167 2.822,1168 2.937,1169 2.985,1170 2.913,1171 2.796,1172 4.608,1173 2.807,1174 0.122,1175 0.094,1176 0.184,1177 0.112,1178 0.087,1179 4.647,1180 0.114,1181 3.576,1182 0.038,1183 6.978,1184 0.312,1185 4.274,1186 0.085,1187 3.296,1188 4.341,1189 1.437,1190 11.854,1191 3.224,1192 1.969,1193 1.953,1194 2.023,1195 2.054,1196 1.18,1197 2.046,1198 1.91,1199 1.886,1200 2,1201 2.018,1202 1.091,1203 2.011,1204 1.856,1205 1.833,1206 1.937,1207 1.954,1208 1.059,1209 1.951,1210 1.699,1211 1.663,1212 1.8,1213 1.829,1214 0.927,1215 1.828,1216 1.284,1217 1.234,1218 1.423,1219 1.527,1220 0.459,1221 1.498,1222 1.146,1223 1.133,1224 1.253,1225 1.4,1226 0.323,1227 1.348,1228 0.931,1229 0.886,1230 1.181,1231 1.157,1232 0.225,1233 1.152,1234 0.886,1235 0.829,1236 1.148,1237 1.074,1238 0.218,1239 1.107,1240 4.344,1242 5.694,1244 7.238,1245 2.708,1246 8.872,1247 5.38,1248 10.554,1251 6.234,1252 29.294,1255 9.063,1256 0.109,1257 3.045,1267 35.797,1268 88.421,1269 187.848,1270 227.147,1271 254.366,1272 257.121,1273 257.121,1274 77.827,1275 8.582,1276 87.47,1277 87.47,1278 31,1279 12.937,1280 4.755,1281 3.907,1282 49.916,1283 144,1284 172,1285 0.17,1286 218.527,1287 387.63,1288 524.967,1289 68153,1290 6.1,1291 23.819,1292 0.701,1293 0.534,1294 22.579,1295 18.145,1296 16.402,1297 0.432,1298 0.277,1299 10.043,1300 15.476,1301 9.855,1302 8.084,1303 15.869,1304 10.537,1305 15.313,1306 0.278,1307 0.145,1308 14.657,1309 7.963,1310 12.973,1311 0.173,1312 0.074,1313 12.363,1314 5.587,1315 11.14,1316 0.109,1317 0.038,1318 10.478,1319 3.919,1320 9.422,1321 0.068,1322 0.021,1323 9.236,1324 2.837,1325 0.264,1326 106.198,1327 0.199,1328 31.06,1329 0.474,1330 186,1331 697.579,1332 221.325,1333 657.844,1334 870.54,1335 610,1336 223,1337 605.844,1338 251.391,1339 613.703,1340 905.2,1341 578,1342 6.585}
{0 CHEMBL261849,1 1.588,2 12.778,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.177,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.61,19 3.797,20 4.61,21 4.764,22 3.924,23 3.939,24 5.724,25 3.903,26 4.754,27 4.963,28 3.786,29 3.943,30 5.791,31 3.858,32 4.764,33 5.007,34 3.693,35 3.901,36 5.695,37 3.8,38 4.633,39 4.857,40 3.695,41 3.83,42 5.638,43 3.746,44 4.618,45 4.854,46 3.676,47 3.765,48 5.626,49 3.681,50 4.53,51 4.751,52 3.531,53 3.647,54 5.563,55 3.56,56 0.069,57 0.705,58 10.086,59 4.218,60 12.468,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 31.217,67 8.841,68 0.307,69 1.2,70 20.517,71 7.862,72 27.304,73 10.287,74 0.384,75 1.288,76 25.704,77 9.14,78 45.5,79 12.349,80 0.426,81 1.239,82 27.512,83 9.309,84 43.763,85 12.999,86 0.384,87 1.141,88 23.149,89 8.032,90 36.626,91 11.286,92 0.387,93 1.072,94 23.357,95 8.165,96 37.643,97 11.531,98 0.442,99 0.961,100 21.488,101 7.238,102 39.423,103 9.947,104 21,105 39,106 0.269,107 0.587,108 0.734,109 0.816,110 0.842,111 0.862,112 3.339,113 0.867,114 -3.7,115 -3.67,116 -3.49,118 40.8,120 1,123 2,124 1,138 7,139 3,140 3,141 1,143 1,146 1,156 2,157 2,158 2,163 9,166 1,167 7,169 3,170 3,172 1,173 9,175 1,176 1,177 10,182 1,184 6,186 1,188 8,190 1,191 1,192 1,193 2,194 2,195 2,197 2,198 1,200 7,205 3,208 4,211 3,212 1,213 5,218 2,221 7,223 2,224 2,225 2,227 1,228 1,230 2,233 7,235 2,236 2,237 1,239 1,240 1,242 1,245 5,247 1,248 1,249 2,251 1,252 1,257 4,260 1177,261 18.342,262 18.342,263 18.342,264 18.342,265 18.342,266 16.066,267 26.546,268 10.789,269 18.986,270 14.17,271 14.17,272 14.17,273 14.17,274 14.17,275 10.706,276 34.768,277 4.976,278 15.025,279 4.027,280 2.146,281 1.279,282 0.796,283 0.643,284 0.521,285 4.022,287 1,288 1,289 1,290 729,291 3,294 299.479,301 2.173,302 22.907,304 1,305 1,306 1,307 1,308 0.6,309 0.5,310 1,311 1,312 0.87,313 59,314 345,315 4.308,316 3.258,317 6.188,318 3.914,319 2.951,320 3.955,321 1.151,322 9.236,323 2.848,324 4.199,325 3.074,326 6.074,327 3.771,328 2.825,329 3.841,330 0.86,331 8.785,332 2.669,333 4.031,334 2.904,335 5.48,336 3.614,337 2.641,338 3.633,339 0.86,340 7.336,341 2.572,342 3.6,343 2.65,344 5.25,345 3.235,346 2.288,347 2.928,348 0.68,349 6.652,350 2.16,351 3.472,352 2.507,353 5.104,354 3.116,355 2.17,356 2.76,358 6.253,359 2.042,360 3.357,361 2.168,362 4.915,363 2.935,364 1.993,365 2.655,367 5.633,368 1.866,369 2.919,370 2.109,371 4.388,372 2.519,373 1.604,374 2.058,376 4.222,377 1.46,378 2.823,379 1.567,380 4.125,381 2.351,382 1.417,383 1.952,385 3.648,386 1.319,387 2.5,388 1.311,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.083,397 1.014,398 3.319,399 1.783,400 0.876,401 1.022,403 1.972,404 0.785,405 1.737,406 1,407 3.057,408 1.45,409 0.562,410 0.639,411 1.036,412 0.493,413 1.61,414 0.936,415 2.871,416 1.318,417 0.415,418 0.473,419 0.799,420 0.369,421 1.509,422 0.656,423 2.654,424 1.224,425 0.336,426 0.388,427 0.568,428 0.299,429 1.098,430 0.255,431 2.39,432 0.773,433 -0.16,434 -0.19,435 -0.33,436 -0.147,437 0.802,438 -0.133,439 2.358,440 0.433,441 -0.506,442 -0.615,443 -1.081,444 -0.464,445 12.6,446 0.467,447 0.588,448 0.022,449 38,450 1.407,451 20.5,452 0.759,453 17.5,454 0.648,455 18.751,456 0.694,457 29.4,458 0.6,459 28.244,460 1.046,461 7.932,462 0.294,463 5.152,464 0.191,465 0.143,467 0.317,471 0.994,472 1.249,473 0.814,474 1.105,475 1.167,476 0.943,477 1.252,478 0.802,479 0.86,480 0.848,481 0.833,482 0.809,483 1.065,484 1.268,485 1.058,486 1.233,487 0.911,488 1.158,489 1.114,490 1.057,491 1.162,492 1.178,493 1.069,494 1.182,495 1.095,496 0.914,497 1.002,498 0.926,499 1.012,500 0.951,501 0.873,502 1.021,503 0.978,504 1.024,505 0.923,506 1.017,507 0.761,508 0.957,509 0.824,510 1.001,511 0.638,512 0.944,513 1.102,514 1.002,515 1.04,516 1.047,517 0.96,518 1.052,519 6,520 0.144,521 2.889,522 1.25,523 1.529,524 0.764,525 0.505,526 0.438,527 0.271,528 0.172,529 9435,530 26932,531 2.035,532 44.9,533 2,534 15,536 1,537 4,542 1.697,543 1.906,544 3.607,545 1.698,546 1,547 1,550 77.82,551 1.588,552 3.469,553 4.336,554 4.818,555 4.972,556 5.094,557 3.115,558 4.403,559 4.722,560 3.779,561 1326.57,562 8.178,563 17729,565 1,567 1,568 275.121,569 1.399,570 4.685,571 0.207,572 0.008,573 0.074,574 0.031,575 0.046,576 0.025,577 0.016,578 0.015,579 0.011,580 0.009,581 0.442,582 0.17,583 1,584 0.862,585 136.523,586 -0.098,587 -0.053,588 0.034,589 -0.038,590 -0.21,591 0.022,592 -0.056,593 0.259,594 0.084,595 0.18,596 0.093,597 0.151,598 -0.036,599 -0.181,600 -0.151,601 -0.197,602 -0.046,603 -0.192,604 -0.115,605 -0.055,606 -0.205,607 -0.181,608 -0.108,609 -0.206,610 -0.127,611 0.011,612 -0.011,613 0.069,614 -0.108,615 0.052,616 0.02,617 -0.035,618 -0.018,619 -0.026,620 -0.025,621 -0.024,622 0.162,623 -0.024,624 0.159,625 0.001,626 0.221,627 0.064,628 0.044,629 -0.072,630 -0.038,631 -0.059,632 0.031,633 -0.072,634 1.504,635 2.401,636 0.667,637 28.571,638 1.007,639 1.13,640 2.474,641 6.123,642 0.658,643 3.401,644 3.689,645 3.912,646 4.094,647 4.317,648 4.29,649 4.331,650 4.431,651 4.543,652 4.595,653 7.249,654 0.632,655 366.46,656 3.401,657 4.92,658 5.746,659 6.597,660 7.438,661 8.29,662 9.136,663 9.989,664 10.838,665 11.692,666 8.2,670 2,676 2,681 8,682 2,686 8,688 18,698 2,703 3,705 49,706 18,707 2,708 29,710 51,711 20,712 16,713 5,714 7,717 3,718 3,727 1,729 16,730 4,743 1,744 1,747 22,748 7,749 4,750 7,755 4,760 1,761 3,774 1,779 3,803 3,807 2,811 27,812 2,817 2,819 3,833 6.1,838 3,841 14.167,842 9.233,843 6.139,844 2.508,847 3.125,848 1.437,849 0.969,850 6.242,851 10.275,852 3.664,853 4.256,854 4.785,855 5.284,856 5.818,857 5.858,858 6.062,859 6.445,860 6.857,861 7.187,862 0.889,863 40,864 9.878,865 4.013,866 7.753,867 18.659,868 14.486,869 2.253,870 60.833,873 1,874 211.88,875 133.788,876 99.365,878 33,881 133.788,882 244.879,883 99.365,884 21.766,885 7.127,886 132.128,887 45.342,888 67.334,889 4.227,890 200.109,892 211.88,893 233.154,894 33,897 211.88,898 33,900 18.073,901 181.509,902 33.571,904 211.88,905 132.365,906 133.788,909 211.88,910 36.641,911 97.147,913 132.365,914 211.88,915 132.365,916 133.788,918 0.572,919 0.336,920 0.171,921 0.094,922 17,923 8,924 0.137,925 7,927 1,928 3.953,929 215.802,931 18,932 124.382,936 19.109,937 8.819,938 4.949,940 132.365,941 15.119,942 7.978,946 5.508,948 65.794,949 478.033,950 38,960 49.342,961 55.358,962 0.283,963 0.618,964 0.772,965 0.858,966 0.885,967 0.907,968 4.871,969 1.417,970 5.714,971 4.222,972 4.369,973 4.942,974 2.019,975 6.463,976 4.265,977 6.07,978 1,979 7.239,980 3.648,981 3.892,982 4.691,984 7.235,985 3.753,986 7.365,987 0.876,988 8.856,989 2.275,990 5.916,991 7.113,992 1.963,993 10.249,994 5.73,995 8.692,996 0.562,997 10.524,998 1.972,999 6.217,1000 7.614,1002 11.791,1003 5.986,1004 10.045,1005 0.415,1006 12.224,1007 1.036,1008 7.7,1009 9.521,1010 2.01,1011 14.312,1012 7.44,1013 11.415,1014 0.336,1015 13.945,1016 0.799,1017 8.369,1018 10.384,1020 16.195,1021 8.06,1022 12.799,1023 -0.16,1024 15.682,1025 0.568,1026 9.62,1027 12.053,1028 2.133,1029 18.531,1030 9.285,1031 2.951,1032 -0.506,1033 17.431,1034 -0.33,1035 10.478,1036 13.116,1038 20.577,1039 10.092,1040 2.825,1041 9.236,1042 19.19,1043 -1.081,1044 11.621,1045 14.656,1046 2.31,1047 22.836,1048 11.209,1049 2.641,1050 8.785,1051 20.957,1052 3.955,1053 12.576,1054 15.836,1056 24.962,1057 12.115,1058 2.288,1059 7.336,1060 22.73,1061 3.841,1062 13.67,1063 17.301,1064 2.523,1065 27.189,1066 13.18,1067 2.17,1068 6.652,1069 24.509,1070 3.633,1071 14.676,1072 18.55,1074 29.356,1075 14.14,1076 1.993,1077 6.253,1078 26.293,1079 2.928,1080 15.75,1081 19.971,1082 2.759,1083 31.57,1084 15.181,1085 1.604,1086 5.633,1087 28.081,1088 2.76,1089 16.782,1090 21.264,1092 33.756,1093 16.17,1094 9211,1095 15682,1096 19.186,1097 32.239,1098 42.226,1099 43.138,1100 43.819,1101 42.075,1102 42.158,1103 55.606,1104 7.102,1105 116.829,1106 39.765,1107 5.146,1108 5.258,1109 5.743,1110 4.983,1111 4.951,1112 6.955,1113 2.302,1114 15.607,1115 4.848,1116 13.949,1117 1.456,1118 1.488,1119 1.511,1120 1.451,1121 1.454,1122 1.917,1123 0.245,1124 4.029,1125 1.371,1126 3.998,1127 4.025,1128 3.948,1129 3.908,1130 5.291,1131 3.913,1132 3.901,1133 3.929,1134 3.844,1135 3.827,1136 4.98,1137 3.826,1138 3.8,1139 3.839,1140 3.762,1141 3.644,1142 4.938,1143 3.669,1144 3.344,1145 3.387,1146 3.23,1147 3.114,1148 4.84,1149 3.136,1150 3.281,1151 3.344,1152 3.129,1153 3.021,1154 4.487,1155 3.037,1156 3.176,1157 3.258,1158 3.007,1159 2.925,1160 4.459,1161 2.931,1162 3.073,1163 3.168,1164 2.9,1165 2.813,1166 4.347,1167 2.81,1168 2.966,1169 3.078,1170 2.787,1171 2.735,1172 4.186,1173 2.715,1174 0.149,1175 0.112,1176 0.213,1177 0.135,1178 0.102,1179 4.308,1180 0.136,1181 3.258,1182 0.04,1183 6.188,1184 0.318,1185 3.914,1186 0.098,1187 2.951,1188 3.955,1189 1.151,1190 9.236,1191 2.848,1192 1.94,1193 1.92,1194 2.039,1195 2.053,1196 1.209,1197 2.047,1198 1.889,1199 1.866,1200 2,1201 1.993,1202 1.132,1203 1.994,1204 1.725,1205 1.685,1206 1.81,1207 1.906,1208 0.866,1209 1.883,1210 1.27,1211 1.224,1212 1.586,1213 1.558,1214 0.629,1215 1.563,1216 1.216,1217 1.148,1218 1.573,1219 1.528,1220 0.573,1221 1.542,1222 1.132,1223 1.056,1224 1.418,1225 1.421,1226 0.528,1227 1.425,1228 1.034,1229 0.948,1230 1.337,1231 1.343,1232 0.374,1233 1.345,1234 0.892,1235 0.821,1236 1.225,1237 1.243,1238 0.218,1239 1.26,1240 4.078,1242 5.371,1244 6.86,1246 8.434,1248 10.048,1250 3.252,1254 11.445,1256 1,1258 16.531,1267 30.971,1268 77.82,1269 169.985,1270 212.45,1271 236.101,1272 243.611,1273 249.611,1274 40.872,1275 7.149,1276 105.51,1277 105.51,1278 18,1279 12.248,1280 4.248,1281 3.322,1282 47.231,1283 117,1284 127,1285 0.196,1286 193.256,1287 331.39,1288 463.306,1289 12254,1291 19.225,1292 0.712,1293 0.567,1294 19.225,1295 15.307,1296 13.084,1297 0.451,1298 0.289,1299 8.215,1300 12.442,1301 7.954,1302 6.669,1303 13.084,1304 8.383,1305 11.371,1306 0.292,1307 0.152,1308 11.371,1309 5.937,1310 9.507,1311 0.194,1312 0.084,1313 9.507,1314 4.093,1315 7.403,1316 0.125,1317 0.044,1318 7.403,1319 2.614,1320 5.978,1321 0.081,1322 0.024,1323 5.978,1324 1.782,1325 0.314,1326 83.083,1327 0.228,1328 26.462,1329 0.516,1330 136,1331 431.121,1332 151.35,1333 410.493,1334 559.5,1335 386,1336 156,1337 407.517,1338 171.074,1339 416.214,1340 597.93,1341 386,1342 5}
{0 CHEMBL265777,1 1.654,2 16.705,3 1.999,4 3.996,5 159.778,6 7.544,7 0.261,8 4.505,9 4.616,10 4.146,11 4.01,12 5.646,13 3.971,14 5.066,15 5.222,16 4.468,17 4.401,18 6.426,19 4.344,20 5.391,21 5.581,22 4.552,23 4.592,24 6.556,25 4.511,26 5.512,27 5.733,28 4.6,29 4.642,30 6.671,31 4.544,32 5.506,33 5.718,34 4.617,35 4.657,36 6.712,37 4.567,38 5.547,39 5.75,40 4.66,41 4.659,42 6.773,43 4.589,44 5.58,45 5.786,46 4.686,47 4.671,48 6.966,49 4.595,50 5.569,51 5.785,52 4.588,53 4.657,54 6.906,55 4.546,56 0.309,57 1.158,58 21.071,59 8.806,60 51.35,61 10.133,62 0.911,63 1.813,64 36.293,65 14.524,66 159.127,67 17.934,68 1.251,69 2.323,70 52.534,71 18.323,72 172.881,73 23.318,74 1.469,75 2.488,76 60.994,77 20.716,78 178.858,79 27.178,80 1.236,81 2.53,82 62.623,83 21.181,84 198.899,85 26.797,86 1.552,87 2.589,88 64.484,89 19.686,90 236.291,91 25.546,92 2.073,93 2.61,94 67.245,95 20.532,96 338.359,97 26.98,98 1.941,99 2.581,100 65.291,101 21.261,102 325.513,103 28.261,104 166,105 66,106 0.251,107 0.597,108 0.792,109 0.85,110 0.867,111 0.867,112 3.81,113 1.035,114 -2.47,115 -2.5,116 -2.45,118 35.7,119 3,120 6,121 1,124 2,126 1,128 1,138 6,139 3,140 3,151 4,156 1,157 1,158 1,160 2,162 3,163 14,167 6,168 1,169 1,170 6,171 1,172 6,173 17,174 1,175 1,176 1,177 9,178 1,180 2,181 1,182 7,184 11,185 2,186 1,187 2,188 13,190 1,191 3,193 11,195 7,196 3,197 2,199 1,200 12,203 1,205 13,208 10,209 2,210 1,211 1,213 12,214 2,216 2,217 1,218 8,219 4,220 1,221 16,222 1,223 3,224 1,225 7,226 1,228 5,229 4,230 5,231 1,233 22,234 1,235 2,236 4,237 5,238 1,239 1,240 5,241 2,242 4,245 17,246 1,247 2,248 2,249 7,252 4,253 1,254 6,255 1,256 1,257 13,258 3,259 2,260 4546,261 27.857,262 27.857,263 27.857,264 27.857,265 27.857,266 25.613,267 29.313,268 16.265,269 28.117,270 22.7,271 22.7,272 22.7,273 22.7,274 22.7,275 19.049,276 34.3,277 7.753,278 23.124,279 4.739,280 2.45,281 1.164,282 0.783,283 0.67,284 0.67,285 4.482,290 1514,291 6.124,294 559.927,301 2.523,302 84.536,305 0.25,306 0.33,307 0.33,308 0.7,309 1,310 0.17,312 0.4,313 99.167,314 735,315 4.693,316 3.862,317 7.316,318 4.39,319 3.41,320 4.27,321 2.423,322 12.549,323 3.367,324 4.556,325 3.633,326 7.253,327 4.379,328 3.385,329 4.082,330 1.971,331 12.272,332 3.337,333 4.23,334 3.607,335 6.408,336 3.924,337 2.942,338 3.511,339 1.892,340 9.775,341 2.888,342 4,343 3.524,344 6.073,345 3.784,346 2.794,347 3.38,348 0.98,349 8.795,350 2.761,351 3.837,352 3.432,353 5.638,354 3.503,355 2.512,356 3.081,357 0.922,358 7.547,359 2.488,360 3.572,361 3.415,362 5.347,363 3.473,364 2.499,365 2.784,366 0.86,367 6.977,368 2.438,369 3.529,370 2.888,371 5.218,372 3.231,373 2.253,374 2.634,375 0.577,376 6.464,377 2.176,378 3.463,379 2.742,380 4.906,381 3.099,382 2.074,383 2.62,384 0.234,385 5.324,386 2.108,387 3.396,388 2.58,389 4.896,390 3.011,391 2.021,392 2.586,394 5.285,395 1.978,396 3.333,397 2.49,398 4.637,399 2.956,400 1.971,401 2.468,403 5.08,404 1.926,405 2.959,406 1.958,407 4.596,408 2.637,409 1.665,410 2.065,411 4.76,412 1.608,413 2.637,414 1.868,415 4.126,416 2.463,417 1.47,418 1.679,419 3.279,420 1.458,421 2.532,422 1.549,423 3.87,424 2.162,425 1.168,426 1.503,427 3.14,428 1.16,429 2.503,430 1.487,431 3.653,432 2.094,433 1.088,434 1.475,435 2.855,436 1.081,437 2.4,438 1.353,439 3.604,440 2.017,441 1,442 1.292,443 2.42,444 1.01,445 20.533,446 0.467,447 1.61,448 0.037,449 47.75,450 1.085,451 20.5,452 0.466,453 27.25,454 0.619,455 53.112,456 1.207,457 51.467,458 0.613,459 50.17,460 1.14,461 8.968,462 0.204,463 11.594,464 0.264,465 0.222,466 0.073,467 0.292,471 0.895,472 1.303,473 0.854,474 1.358,475 0.784,476 1.037,477 0.571,478 1.21,479 0.83,480 1.122,481 0.404,482 1.038,483 0.948,484 1.088,485 0.996,486 1.024,487 0.872,488 1.095,489 0.769,490 1.04,491 0.835,492 0.921,493 0.669,494 0.974,495 0.887,496 1.172,497 0.988,498 1.134,499 0.847,500 1.021,501 1.186,502 1.065,503 1.027,504 1.002,505 1.216,506 1.032,507 0.954,508 0.993,509 0.967,510 0.957,511 0.986,512 0.995,513 0.766,514 1.056,515 0.946,516 0.986,517 0.903,518 1.105,519 13,520 0.533,521 5.778,522 3.438,523 3.196,524 2.472,525 1.568,526 1.219,527 0.851,528 0.619,529 31968,530 100931,531 1.908,532 47.6,533 10,534 11,537 7,538 3,539 9,542 1.824,543 1.725,544 3.958,545 3.703,550 138.897,551 1.654,552 3.943,553 5.229,554 5.609,555 5.723,556 5.723,557 3.474,558 4.743,559 5.427,560 4.172,561 3946.37,562 9.627,563 74618.8,568 536.955,569 1.753,570 5.338,571 0.283,572 0.009,573 0.088,574 0.051,575 0.045,576 0.033,577 0.021,578 0.016,579 0.013,580 0.01,581 0.569,582 0.17,583 0.5,584 1.277,585 257.072,586 -0.164,587 0.021,588 0.117,589 -0.02,590 -0.138,591 0.058,592 0.23,593 -0.045,594 0.08,595 -0.017,596 0.281,597 0.014,598 -0.062,599 0.001,600 -0.086,601 -0.04,602 -0.065,603 -0.089,604 0.078,605 -0.033,606 0.083,607 0.026,608 0.047,609 0.036,610 -0.023,611 -0.134,612 -0.001,613 -0.072,614 0.008,615 -0.002,616 -0.18,617 -0.019,618 -0.071,619 -0.044,620 -0.165,621 -0.059,622 0.064,623 0.026,624 -0.006,625 -0.008,626 0.074,627 -0.022,628 0.133,629 -0.049,630 -0.024,631 -0.059,632 0.084,633 -0.111,634 5.701,635 6.476,636 0.409,637 63.165,638 1.016,639 1.133,640 1.244,641 1.547,642 0.639,643 3.85,644 4.205,645 4.357,646 4.575,647 4.796,648 4.836,649 4.963,650 4.984,651 5.056,652 5.094,653 9.507,654 0.609,655 633.7,656 3.85,657 5.416,658 6.236,659 7.124,660 7.971,661 8.86,662 9.721,663 10.61,664 11.478,665 12.368,666 3.6,673 3,681 6,686 6,688 12,693 1,703 2,705 84,706 17,707 2,708 46,710 86,711 30,712 12,713 6,714 6,715 1,717 3,718 3,721 3,724 5,725 1,727 7,729 16,730 14,731 2,733 5,737 5,740 4,742 1,747 40,748 13,749 7,750 14,751 1,755 3,760 1,761 10,767 1,769 1,779 3,790 2,792 1,801 3,803 3,807 3,811 44,812 1,816 3,817 8,818 2,819 2,821 2,823 1,833 11.9,834 2,835 1,836 5,838 2,841 25.5,842 15.217,843 9.486,844 4.873,846 1,847 2.197,848 1.277,849 0.901,850 12.418,851 10.115,852 4.06,853 4.595,854 4.973,855 5.45,856 5.948,857 6.121,858 6.401,859 6.506,860 6.661,861 6.742,862 1,863 68,864 17.262,865 8.186,866 8.236,867 30.331,868 24.981,869 2.736,870 120.389,874 389.694,875 143.149,876 68.919,878 259.79,880 1.248,881 143.149,882 648.236,883 68.919,884 26.476,885 93.311,886 132.369,887 178.55,888 42.4,890 388.446,892 388.446,893 212.068,894 259.79,895 1.248,897 282.506,898 291.466,899 74.264,900 119.786,901 92.281,902 1.248,904 388.446,905 328.708,906 143.149,907 1.248,908 1.248,909 388.446,910 59.816,911 83.333,912 36.022,913 292.687,914 388.446,915 328.708,916 144.397,918 0.593,919 0.313,920 0.159,921 0.094,922 27,923 16,924 0.163,925 14,927 1,928 4.969,929 434.926,931 18,932 232.215,936 35.543,937 15.373,938 10.589,940 328.708,941 8.648,946 0.491,948 185.866,949 861.552,950 57,954 60.738,957 -3.136,959 -4.895,960 85.341,961 95.201,962 0.259,963 0.617,964 0.818,965 0.878,966 0.895,967 0.895,968 5.342,969 2.074,970 6.29,971 6.464,972 4.89,973 5.283,974 3.36,975 7.143,976 4.855,977 6.57,978 2.021,979 7.892,980 5.324,981 4.796,982 5.338,983 2.848,984 8.401,985 4.766,986 7.906,987 1.971,988 9.611,989 5.285,990 6.592,991 7.401,992 4.46,993 11.398,994 6.525,995 9.274,996 1.665,997 11.4,998 5.08,999 7.245,1000 8.184,1001 4.705,1002 13.455,1003 7.18,1004 10.672,1005 1.47,1006 13.236,1007 4.76,1008 8.629,1009 9.854,1010 5.872,1011 16.095,1012 8.537,1013 12.093,1014 1.168,1015 15.105,1016 3.279,1017 9.597,1018 10.957,1019 6.442,1020 18.441,1021 9.5,1022 13.532,1023 1.088,1024 16.999,1025 3.14,1026 10.848,1027 12.488,1028 7.433,1029 20.986,1030 10.732,1031 3.41,1032 1,1033 18.911,1034 2.855,1035 11.952,1036 13.747,1037 8.154,1038 23.438,1039 11.826,1040 3.385,1041 12.549,1042 20.838,1043 2.42,1044 13.164,1045 15.221,1046 9.074,1047 25.958,1048 13.023,1049 2.942,1050 12.272,1051 22.777,1052 4.27,1053 14.327,1054 16.561,1055 9.871,1056 28.449,1057 14.174,1058 2.794,1059 9.775,1060 24.724,1061 4.082,1062 15.532,1063 18.011,1064 10.763,1065 30.964,1066 15.365,1067 2.512,1068 8.795,1069 26.678,1070 3.511,1071 16.722,1072 19.394,1073 11.6,1074 33.471,1075 16.543,1076 2.499,1077 7.547,1078 28.638,1079 3.38,1080 17.929,1081 20.834,1082 12.483,1083 35.987,1084 17.736,1085 2.253,1086 6.977,1087 30.602,1088 3.081,1089 19.132,1090 22.241,1091 13.34,1092 38.5,1093 18.926,1094 31769,1095 56964,1096 28.433,1097 53.71,1098 70.028,1099 72.865,1100 71.256,1101 69.092,1102 69.174,1103 83.842,1104 19.718,1105 203.501,1106 67.949,1107 5.693,1108 5.862,1109 7.118,1110 5.446,1111 5.41,1112 7.27,1113 4.104,1114 20.049,1115 5.367,1116 32.147,1117 1.522,1118 1.584,1119 1.549,1120 1.502,1121 1.504,1122 1.823,1123 0.429,1124 4.424,1125 1.477,1126 4.037,1127 4.061,1128 4.467,1129 4.073,1130 7.476,1131 3.958,1132 3.965,1133 3.979,1134 3.956,1135 3.918,1136 7.468,1137 3.9,1138 3.864,1139 3.918,1140 3.785,1141 3.761,1142 7.438,1143 3.744,1144 3.738,1145 3.772,1146 3.726,1147 3.643,1148 7.432,1149 3.573,1150 3.579,1151 3.63,1152 3.621,1153 3.476,1154 7.424,1155 3.412,1156 3.536,1157 3.538,1158 3.479,1159 3.375,1160 6.435,1161 3.31,1162 3.472,1163 3.48,1164 3.448,1165 3.261,1166 6.351,1167 3.301,1168 3.342,1169 3.392,1170 3.267,1171 3.148,1172 6.23,1173 3.148,1174 0.102,1175 0.084,1176 0.159,1177 0.095,1178 0.074,1179 4.693,1180 0.093,1181 3.862,1182 0.053,1183 7.316,1184 0.273,1185 4.39,1186 0.073,1187 3.41,1188 4.27,1189 2.423,1190 12.549,1191 3.367,1192 1.963,1193 1.945,1194 2.112,1195 2.07,1196 1.507,1197 2.077,1198 1.945,1199 1.928,1200 2.052,1201 2.028,1202 1.276,1203 2.05,1204 1.879,1205 1.827,1206 2.011,1207 2.001,1208 1.231,1209 2.023,1210 1.653,1211 1.616,1212 1.802,1213 1.859,1214 0.978,1215 1.847,1216 1.535,1217 1.484,1218 1.754,1219 1.752,1220 0.949,1221 1.754,1222 1.396,1223 1.374,1224 1.625,1225 1.687,1226 0.877,1227 1.652,1228 1.363,1229 1.347,1230 1.6,1231 1.557,1232 0.825,1233 1.589,1234 1.303,1235 1.24,1236 1.548,1237 1.546,1238 0.711,1239 1.554,1240 4.533,1242 5.878,1244 7.392,1246 8.988,1248 10.631,1250 4.637,1254 5.665,1255 28.46,1256 5.169,1257 5.42,1258 10.985,1260 -0.743,1262 -1.05,1267 51.145,1268 138.897,1269 331.189,1270 439.206,1271 471.18,1272 480.69,1273 480.69,1274 203.598,1275 7.918,1276 214.58,1277 224.39,1278 18,1279 12.901,1280 4.17,1281 3.585,1282 101.926,1283 249,1284 274,1285 0.194,1286 321.361,1287 583.01,1288 775.88,1289 32295,1291 32.656,1292 0.742,1293 0.589,1294 32.906,1295 25.894,1296 20.562,1297 0.447,1298 0.345,1299 14.185,1300 18.896,1301 13.648,1302 11.337,1303 21.457,1304 15.876,1305 20.438,1306 0.31,1307 0.198,1308 21.806,1309 13.06,1310 14.072,1311 0.183,1312 0.109,1313 14.805,1314 8.401,1315 11.324,1316 0.118,1317 0.061,1318 12.021,1319 5.895,1320 9.239,1321 0.077,1322 0.035,1323 9.841,1324 4.176,1325 0.31,1326 138.705,1327 0.188,1328 39.018,1329 0.517,1330 224,1331 776.188,1332 285.505,1333 739.71,1334 954.07,1335 676,1336 255,1337 631.193,1338 321.698,1339 663.399,1340 960.87,1341 618,1342 4.025}
{0 CHEMBL268825,1 1.543,2 15.424,3 6.673,4 44.525,5 133.729,6 7.797,7 0.622,8 4.18,9 4.299,10 3.799,11 3.759,12 5.239,13 3.731,14 4.718,15 4.891,16 4.161,17 4.152,18 5.728,19 4.101,20 4.965,21 5.179,22 4.209,23 4.271,24 5.93,25 4.181,26 4.952,27 5.187,28 4.121,29 4.211,30 5.881,31 4.104,32 4.905,33 5.136,34 4.063,35 4.135,36 5.869,37 4.039,38 4.812,39 5.049,40 4.03,41 4.052,42 5.797,43 3.973,44 4.699,45 4.911,46 3.95,47 4.024,48 5.721,49 3.926,50 4.665,51 4.896,52 3.702,53 3.945,54 5.565,55 3.811,56 0.043,57 0.872,58 11.389,59 5.224,60 8.934,61 6.878,62 0.21,63 1.424,64 22.599,65 8.926,66 22.112,67 11.897,68 0.374,69 1.706,70 33.132,71 11.674,72 37.147,73 15.81,74 0.258,75 1.631,76 34.909,77 11.957,78 37.276,79 16.446,80 0.344,81 1.557,82 34.041,83 11.01,84 41.456,85 15.037,86 0.382,87 1.463,88 29.495,89 9.033,90 40.685,91 12.481,92 0.382,93 1.3,94 27.62,95 8.858,96 38.561,97 12.325,98 0.203,99 1.26,100 23.079,101 9.155,102 26.973,103 12.847,104 5,105 51,106 0.248,107 0.57,108 0.746,109 0.84,110 0.846,111 0.846,112 3.531,113 0.945,114 -5.8,115 -5.66,116 -5.27,118 44.1,119 1,120 2,124 4,138 10,139 3,140 3,142 2,146 1,159 1,163 12,166 1,167 6,170 2,172 2,173 14,176 2,177 8,180 1,182 2,184 14,188 10,193 1,195 11,200 15,203 1,205 3,208 6,213 9,218 1,221 6,224 2,225 7,230 1,233 13,236 1,237 2,240 1,242 1,245 12,249 1,254 3,257 4,260 2062,261 22.739,262 22.739,263 22.739,264 22.739,265 22.739,266 19.991,267 25.234,268 13.565,269 23.296,270 18.309,271 18.309,272 18.309,273 18.309,274 18.309,275 14.221,276 33.505,277 6.506,278 19.274,279 4.34,280 2.336,281 1.245,282 0.657,283 0.623,284 0.623,285 4.243,286 1,289 1,290 1130,291 3,293 109.183,294 412.128,298 157.822,301 2.645,302 20.585,305 0.75,306 0.67,307 1,308 0.8,309 0.5,310 1,311 1,312 0.82,313 69.833,314 509,315 4.582,316 3.253,317 6.586,318 4.121,319 3.146,320 4.517,321 0.86,322 10.48,323 3.069,324 4.258,325 3.067,326 6.349,327 3.823,328 2.871,329 3.912,330 0.8,331 9.584,332 2.726,333 4.057,334 2.948,335 5.599,336 3.642,337 2.684,338 3.651,339 0.4,340 7.721,341 2.57,342 3.725,343 2.829,344 5.364,345 3.469,346 2.542,347 3.16,349 7.028,350 2.355,351 3.543,352 2.673,353 5.306,354 3.302,355 2.376,356 2.812,358 6.868,359 2.194,360 3.445,361 2.279,362 5.077,363 3.022,364 2.07,365 2.767,367 5.963,368 1.971,369 3.404,370 2.175,371 5.066,372 2.947,373 1.98,374 2.576,376 5.787,377 1.889,378 3.266,379 1.993,380 4.899,381 2.806,382 1.862,383 2.524,385 5.524,386 1.747,387 2.862,388 1.617,389 4.021,390 2.381,391 1.414,392 2.019,394 3.231,395 1.361,396 2.646,397 1.591,398 3.675,399 2.353,400 1.414,401 1.715,403 3.011,404 1.264,405 2.5,406 1.21,407 3.609,408 2.15,409 1.167,410 1.5,411 2.915,412 1.139,413 2.45,414 1.191,415 3.563,416 2,417 1,418 1.449,419 2.367,420 1,421 2.401,422 1,423 3.414,424 1.913,425 0.952,426 1.357,427 2.275,428 0.912,429 1.995,430 0.998,431 3.225,432 1.862,433 0.929,434 0.977,435 2.073,436 0.859,437 1.618,438 0.744,439 3.016,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 16.048,446 0.486,447 0.691,448 0.021,449 44.5,450 1.348,451 23,452 0.697,453 21.5,454 0.652,455 27.484,456 0.833,457 34.352,458 0.582,459 32.376,460 0.981,461 8.592,462 0.26,463 7.561,464 0.229,465 0.076,467 0.305,471 0.757,472 1.236,473 0.654,474 0.993,475 0.692,476 0.911,477 0.991,478 1.065,479 0.755,480 0.925,481 0.679,482 0.909,483 1.133,484 1.012,485 0.936,486 0.944,487 0.912,488 0.965,489 1.062,490 1.079,491 0.959,492 0.979,493 1.009,494 0.951,495 1.258,496 1.111,497 1.041,498 0.986,499 1.198,500 0.954,501 1.431,502 0.942,503 0.881,504 0.744,505 1.24,506 0.803,507 0.85,508 1.012,509 1.142,510 1.07,511 0.968,512 1.047,513 0.603,514 1.1,515 0.839,516 1.13,517 0.829,518 1.163,519 6,520 0.144,521 3.111,522 1.785,523 1.667,524 0.969,525 0.754,526 0.359,527 0.267,528 0.2,529 19162,530 45397,531 2.168,532 44.1,533 3,534 18,537 1,539 4,542 1.745,543 2.084,544 3.853,545 -0.382,550 91.043,551 1.543,552 3.547,553 4.637,554 5.226,555 5.26,556 5.26,557 3.351,558 4.597,559 5.009,560 4.082,561 2155.48,562 8.733,563 34364.2,568 347.076,569 1.182,570 4.999,571 0.162,572 0.006,573 0.061,574 0.036,575 0.037,576 0.023,577 0.018,578 0.009,579 0.009,580 0.008,581 0.37,582 0.17,583 0.63,584 0.398,585 179.854,586 0.046,587 -0.09,588 0.045,589 -0.039,590 0.034,591 0.004,592 0.024,593 0.027,594 0.038,595 0.018,596 0.151,597 0.016,598 -0.017,599 0.012,600 -0.009,601 0.016,602 0.083,603 -0.014,604 -0.055,605 -0.102,606 0.042,607 0.006,608 0.041,609 0.033,610 -0.057,611 -0.123,612 -0.013,613 -0.016,614 -0.024,615 0.01,616 -0.172,617 0.109,618 0.054,619 0.176,620 -0.074,621 0.122,622 0.138,623 0.024,624 -0.09,625 -0.093,626 0.118,627 -0.086,628 0.089,629 -0.108,630 -0.072,631 -0.163,632 -0.051,633 -0.176,634 1.209,635 2.38,636 0.818,637 47.073,638 0.998,639 1.122,640 4.568,641 20.868,642 0.69,643 3.638,644 3.951,645 4.22,646 4.477,647 4.691,648 4.762,649 4.934,650 5.081,651 5.226,652 5.308,653 8.9,654 0.652,655 460.02,656 3.638,657 5.176,658 6.023,659 6.893,660 7.753,661 8.627,662 9.495,663 10.372,664 11.245,665 12.125,666 8.5,669 1,674 1,676 3,679 1,680 2,681 10,682 3,686 7,688 23,699 1,703 1,704 1,705 59,706 23,707 3,708 37,710 63,711 26,712 19,713 8,714 10,717 5,718 6,719 1,721 1,724 2,727 2,729 19,730 7,747 26,748 6,749 1,750 7,751 1,755 5,760 0.8,761 1,776 1,778 1,779 4,783 1,800 1,803 4,807 1,808 1,811 33,817 6,818 1,819 1,822 1,832 1,833 1.7,838 1,841 15.833,842 10.943,843 7.194,844 3.715,847 4.333,848 1.52,849 1.015,850 6.609,851 12.658,852 3.902,853 4.516,854 5.115,855 5.721,856 6.331,857 6.644,858 7.143,859 7.633,860 8.107,861 8.438,862 1,863 50,864 12.168,865 5.141,866 7.534,867 23.748,868 19.658,869 2.034,870 67.111,874 294.278,875 146.811,876 71.247,877 39.149,878 11,881 146.811,882 344.426,883 71.247,884 8.825,885 15.979,886 94.762,887 50.112,888 57.481,889 1.899,890 294.278,891 39.149,892 294.278,893 218.058,894 11,895 39.149,897 247.193,898 58.084,900 52.126,901 115.82,902 89.26,904 294.278,905 82.246,906 185.96,909 294.278,910 43.223,911 106.712,912 18.011,913 100.26,914 294.278,915 82.246,916 185.96,918 0.579,919 0.336,920 0.182,921 0.094,922 25,923 10,924 0.111,925 7,926 1,927 1.074,928 4.654,929 299.221,930 0.074,931 27,932 156.465,936 21.936,937 9.942,938 5.208,939 1.544,940 82.246,941 19.685,942 13.366,946 5.895,948 18.011,949 562.484,950 48.5,960 58.88,961 66.212,962 0.262,963 0.603,964 0.788,965 0.888,966 0.894,967 0.894,968 5.128,969 1.862,970 5.989,971 5.787,972 4.635,973 5.204,974 1.324,975 6.767,976 4.537,977 6.324,978 1.414,979 7.522,980 5.524,981 4.111,982 4.956,983 0.325,984 7.573,985 3.935,986 7.621,987 1.414,988 9.153,989 3.231,990 6.196,991 7.42,992 0.958,993 10.671,994 6.015,995 8.956,996 1.167,997 10.844,998 3.011,999 6.509,1000 8.02,1001 0.268,1002 12.323,1003 6.262,1004 10.323,1005 1,1006 12.573,1007 2.915,1008 8.023,1009 9.943,1010 0.736,1011 14.923,1012 7.769,1013 11.713,1014 0.952,1015 14.329,1016 2.367,1017 8.735,1018 10.965,1019 0.188,1020 16.945,1021 8.432,1022 13.121,1023 0.929,1024 16.106,1025 2.275,1026 10.009,1027 12.65,1028 0.57,1029 19.37,1030 9.695,1031 3.146,1032 0.618,1033 17.899,1034 2.073,1035 10.923,1036 13.897,1037 0.125,1038 21.56,1039 10.572,1040 2.871,1041 10.48,1042 19.704,1043 1.372,1044 12.096,1045 15.472,1046 0.439,1047 23.923,1048 11.73,1049 2.684,1050 9.584,1051 21.521,1052 4.517,1053 13.111,1054 16.839,1055 0.082,1056 26.189,1057 12.717,1058 2.542,1059 7.721,1060 23.346,1061 3.912,1062 14.245,1063 18.364,1064 0.334,1065 28.529,1066 13.833,1067 2.376,1068 7.028,1069 25.18,1070 3.651,1071 15.311,1072 19.794,1073 0.054,1074 30.831,1075 14.877,1076 2.07,1077 6.868,1078 27.019,1079 3.16,1080 16.432,1081 21.299,1082 0.252,1083 33.165,1084 15.979,1085 1.98,1086 5.963,1087 28.864,1088 2.812,1089 17.526,1090 22.762,1091 0.035,1092 35.483,1093 17.053,1094 17580,1095 27349,1096 25.542,1097 40.716,1098 54.735,1099 55.464,1100 55.326,1101 54.926,1102 54.699,1103 71.89,1104 4.12,1105 154.042,1106 51.917,1107 5.541,1108 5.253,1109 6.271,1110 5.208,1111 5.146,1112 7.517,1113 1.72,1114 17.375,1115 5.069,1116 10.924,1117 1.479,1118 1.499,1119 1.495,1120 1.484,1121 1.478,1122 1.943,1123 0.111,1124 4.163,1125 1.403,1126 4.095,1127 4.128,1128 4.101,1129 4.019,1130 5.17,1131 4.023,1132 3.918,1133 3.954,1134 3.927,1135 3.829,1136 4.93,1137 3.831,1138 3.852,1139 3.907,1140 3.84,1141 3.761,1142 4.848,1143 3.76,1144 3.82,1145 3.856,1146 3.711,1147 3.677,1148 4.477,1149 3.675,1150 3.446,1151 3.507,1152 3.387,1153 3.233,1154 4.389,1155 3.258,1156 3.363,1157 3.433,1158 3.287,1159 3.172,1160 4.328,1161 3.176,1162 3.19,1163 3.261,1164 3.215,1165 3.059,1166 4.263,1167 3.045,1168 2.976,1169 3.035,1170 3.046,1171 2.824,1172 4.122,1173 2.831,1174 0.124,1175 0.088,1176 0.178,1177 0.111,1178 0.085,1179 4.582,1180 0.122,1181 3.253,1182 0.023,1183 6.586,1184 0.283,1185 4.121,1186 0.083,1187 3.146,1188 4.517,1189 0.86,1190 10.48,1191 3.069,1192 2.038,1193 2.016,1194 2.099,1195 2.137,1196 1.246,1197 2.124,1198 1.885,1199 1.859,1200 1.99,1201 1.994,1202 1.211,1203 1.995,1204 1.812,1205 1.786,1206 1.912,1207 1.908,1208 1.152,1209 1.915,1210 1.591,1211 1.517,1212 1.86,1213 1.827,1214 1.055,1215 1.833,1216 1.577,1217 1.507,1218 1.826,1219 1.751,1220 1.003,1221 1.793,1222 1.332,1223 1.266,1224 1.556,1225 1.578,1226 0.787,1227 1.568,1228 1.209,1229 1.143,1230 1.509,1231 1.446,1232 0.607,1233 1.468,1234 1.172,1235 1.101,1236 1.374,1237 1.376,1238 0.376,1239 1.401,1240 4.317,1242 5.631,1243 2.398,1244 7.136,1245 4.443,1246 8.732,1247 6.26,1248 10.377,1250 2.023,1251 6.374,1256 6.663,1257 3.237,1258 5.88,1261 2.444,1267 38.444,1268 91.043,1269 209.279,1270 273.592,1271 308.321,1272 310.321,1273 310.321,1274 44.317,1275 8.326,1276 63.17,1277 63.17,1278 29,1279 12.663,1280 4.585,1281 3.644,1282 48.329,1283 176,1284 177,1285 0.131,1286 237.304,1287 402.92,1288 570.781,1289 57141,1290 1.7,1291 22.623,1292 0.686,1293 0.586,1294 23.123,1295 19.347,1296 16.153,1297 0.437,1298 0.315,1299 11.183,1300 15.367,1301 10.89,1302 9.008,1303 16.442,1304 11.656,1305 14.441,1306 0.283,1307 0.171,1308 14.812,1309 8.73,1310 12.283,1311 0.183,1312 0.093,1313 12.642,1314 6.25,1315 10.316,1316 0.119,1317 0.051,1318 10.638,1319 4.423,1320 8.152,1321 0.075,1322 0.025,1323 8.362,1324 2.666,1325 0.215,1326 103.339,1327 0.198,1328 31.643,1329 0.336,1330 176,1331 466.852,1332 204.859,1333 488.414,1334 675.65,1335 460,1336 206,1337 491.962,1338 231.912,1339 508.605,1340 743.8,1341 480,1342 7.658}
{0 CHEMBL278041,1 1.58,2 9.16,3 4.187,4 17.527,5 93.158,6 8.497,7 0.821,8 3.793,9 3.892,10 3.47,11 3.418,12 5.047,13 3.416,14 4.233,15 4.354,16 3.825,17 3.783,18 5.498,19 3.769,20 4.469,21 4.641,22 3.834,23 3.853,24 5.686,25 3.817,26 4.469,27 4.667,28 3.758,29 3.797,30 5.606,31 3.755,32 4.441,33 4.651,34 3.757,35 3.818,36 5.496,37 3.768,38 4.394,39 4.568,40 3.776,41 3.841,42 5.609,43 3.782,44 4.432,45 4.607,46 3.713,47 3.845,48 5.621,49 3.768,50 4.486,51 4.72,52 3.503,53 3.718,54 5.586,55 3.604,56 0.063,57 0.605,58 5.82,59 3.203,60 9.196,61 3.519,62 0.097,63 0.963,64 9.518,65 5.109,66 10.667,67 5.835,68 0.231,69 1.2,70 15.399,71 6.858,72 35.399,73 7.893,74 0.284,75 1.193,76 16.451,77 6.485,78 38.946,79 7.622,80 0.248,81 1.127,82 16.154,83 6.323,84 27.589,85 8.008,86 0.302,87 1.097,88 13.838,89 6.402,90 31.866,91 8.047,92 0.196,93 1.122,94 14.591,95 7.218,96 24.109,97 8.907,98 0.201,99 1.15,100 18.786,101 8.18,102 30.925,103 10.643,104 5,105 39,106 0.275,107 0.541,108 0.692,109 0.796,110 0.813,111 0.813,112 3.268,113 0.832,114 -4.77,115 -4.68,116 -4.4,118 51.3,138 10,139 3,140 2,141 2,142 1,148 1,154 1,163 10,167 4,170 1,172 4,173 9,177 6,182 7,184 5,188 6,193 5,195 6,203 1,205 2,208 14,212 1,213 1,216 1,217 1,221 18,225 3,233 12,237 4,242 2,245 4,249 2,254 4,260 925,261 17.154,262 17.154,263 17.154,264 17.154,265 17.154,266 14.445,267 3.784,268 10.202,269 17.429,270 13.846,271 13.846,272 13.846,273 13.846,274 13.846,275 9.895,276 1.825,277 4.905,278 14.339,279 3.705,280 2.179,281 1.313,282 0.718,283 0.615,284 0.615,285 3.967,288 1,289 1,290 501,291 2,293 66.493,294 238.298,301 1.299,302 24.666,304 1,305 1,306 1,307 1,308 0.4,310 1,311 1,312 0.77,313 54,314 229,315 4.567,316 3.208,317 6.747,318 4.171,319 3.203,320 4.3,322 11.08,323 3.103,324 4.119,325 2.899,326 6.079,327 3.728,328 2.744,329 3.726,331 8.826,332 2.698,333 3.976,334 2.771,335 5.772,336 3.554,337 2.573,338 3.568,340 7.837,341 2.525,342 3.723,343 2.479,344 5.077,345 3.265,346 2.312,347 3.238,349 6.17,350 2.193,351 3.55,352 2.423,353 5.02,354 3.139,355 2.192,356 2.906,358 5.992,359 2.062,360 3.201,361 1.832,362 4.657,363 2.716,364 1.764,365 2.485,367 4.826,368 1.671,369 2.872,370 1.445,371 4.175,372 2.353,373 1.414,374 2.038,376 3.52,377 1.323,378 2.5,379 1.118,380 3.91,381 2,382 1.04,383 1.5,385 2.901,386 1,387 2.5,388 1,389 3.457,390 2,391 1,392 1.5,394 2.275,395 1,396 2.5,397 1,398 3.414,399 1.993,400 1,401 1.5,403 2.275,404 0.986,405 2.5,406 1,407 3.414,408 1.984,409 1,410 1.5,411 2.202,412 0.983,413 2.277,414 0.815,415 3.247,416 1.718,417 0.795,418 1.171,419 2.136,420 0.732,421 1.155,422 0.311,423 2.607,424 0.765,425 -0.16,426 -0.199,427 -0.356,428 -0.144,429 1.099,430 0.088,431 2.546,432 0.691,433 -0.232,434 -0.293,435 -0.521,436 -0.21,437 0.755,438 -0.605,439 2.223,440 0.31,441 -0.65,442 -0.865,443 -1.517,444 -0.62,445 11.819,446 0.473,447 0.554,448 0.022,449 38.5,450 1.54,451 22.5,452 0.9,453 16,454 0.64,455 14.937,456 0.597,457 24.781,458 0.635,459 27.513,460 1.101,461 7.858,462 0.314,463 4.345,464 0.174,465 0.052,467 0.338,470 1,471 0.736,472 0.924,473 0.679,474 0.825,475 0.699,476 0.759,477 0.673,478 1.05,479 0.787,480 1.035,481 0.592,482 0.959,483 1.038,484 1.106,485 1.012,486 1.048,487 0.977,488 1.029,489 1.018,490 1.001,491 1.066,492 0.935,493 0.875,494 0.977,495 0.618,496 0.712,497 0.871,498 0.761,499 0.403,500 0.822,501 0.429,502 0.731,503 0.897,504 0.952,505 0.447,506 1.014,507 0.621,508 0.948,509 1.01,510 1.191,511 0.731,512 1.202,513 0.712,514 1.063,515 1.023,516 1.214,517 0.787,518 1.204,519 4.5,520 0.07,521 2.889,522 1.16,523 1.386,524 1.077,525 0.375,526 0.28,527 0.294,528 0.195,529 6899,530 21419,531 2.154,532 35.9,534 10,536 2,537 2,542 1.687,543 2.055,544 3.168,545 0.233,547 1,550 61.634,551 1.58,552 3.106,553 3.972,554 4.567,555 4.67,556 4.67,557 2.623,558 4.084,559 4.611,560 3.305,561 991.396,562 8.015,563 11822,565 1,566 1,567 1,568 206.131,569 1.26,570 4.592,571 0.161,572 0.008,573 0.074,574 0.031,575 0.04,576 0.03,577 0.01,578 0.008,579 0.012,580 0.011,581 0.385,582 0.33,583 1,584 0.477,585 118.685,586 -0.084,587 -0.021,588 0.01,589 0.063,590 -0.111,591 0.058,592 -0.009,593 -0.119,594 -0.049,595 -0.14,596 0.011,597 -0.115,598 -0.123,599 -0.132,600 -0.109,601 -0.101,602 -0.077,603 -0.102,604 -0.166,605 -0.05,606 -0.127,607 -0.012,608 -0.129,609 -0.044,610 -0.048,611 0.134,612 0.047,613 0.158,614 0.005,615 0.142,616 0.203,617 0.144,618 -0.038,619 -0.01,620 0.125,621 -0.068,622 0.071,623 -0.08,624 -0.12,625 -0.204,626 -0.015,627 -0.211,628 0.039,629 -0.19,630 0.025,631 -0.175,632 0.01,633 -0.105,634 1.955,635 5.274,636 0.92,637 21.28,638 1.011,639 1.116,640 3.541,641 12.537,642 0.717,643 3.367,644 3.689,645 3.97,646 4.248,647 4.533,648 4.644,649 4.779,650 4.934,651 5.069,652 5.043,653 5.563,654 0.701,655 331.37,656 3.367,657 4.905,658 5.759,659 6.637,660 7.515,661 8.404,662 9.293,663 10.188,664 11.083,665 11.983,666 7.7,674 1,676 2,681 12,682 2,683 1,686 8,688 23,702 1,704 1,705 39,706 23,707 2,708 28,710 42,711 20,712 20,713 4,714 8,717 4,718 4,729 20,744 1,745 1,747 14,748 4,749 2,750 5,753 1,755 3,760 1,761 1,773 1,778 1,779 3,803 4,809 1,811 25,816 1,832 1,833 2.6,835 1,841 12.167,842 6.993,843 5.444,844 2.194,847 3.35,848 1.462,849 1.024,850 3.945,851 10.595,852 3.701,853 4.341,854 4.964,855 5.583,856 6.164,857 6.506,858 6.979,859 7.462,860 7.93,861 8.255,862 1,863 38,864 9.185,865 3.969,866 7.893,867 17.231,868 14.158,869 2.393,870 59.833,874 141.253,875 139.376,876 50.357,878 42.683,879 14.96,881 139.376,882 183.937,883 65.317,886 94.762,887 102.125,888 56.315,889 17.717,890 117.711,892 141.253,893 189.733,894 57.643,897 156.213,898 42.683,900 39.965,901 116.197,902 33.571,904 156.213,905 93.04,906 139.376,909 141.253,910 26.519,911 112.857,912 16.786,913 91.215,914 141.253,915 108,916 139.376,918 0.58,919 0.333,920 0.179,921 0.109,922 20,923 8,924 0.071,925 3,927 1,928 3.72,929 214.737,931 23,932 104.096,936 15.401,937 6.404,938 3.112,940 91.215,941 20.258,942 8.754,943 3.333,946 4.743,948 59.469,949 388.63,950 39.5,960 39.447,961 43.535,962 0.299,963 0.588,964 0.752,965 0.864,966 0.884,967 0.884,968 4.911,969 1.04,970 5.733,971 3.52,972 4.369,973 5.027,975 6.535,976 4.302,977 6.128,978 1,979 7.281,980 2.901,981 3.892,982 4.691,984 7.413,985 3.776,986 7.43,987 1,988 8.93,989 2.275,990 5.948,991 7.239,993 10.53,994 5.827,995 8.769,996 1,997 10.641,998 2.275,999 6.312,1000 7.743,1002 12.285,1003 6.146,1004 10.14,1005 0.795,1006 12.392,1007 2.202,1008 7.818,1009 9.71,1011 14.917,1012 7.644,1013 11.534,1014 -0.16,1015 14.173,1016 2.136,1017 8.577,1018 10.631,1020 17.035,1021 8.362,1022 12.946,1023 -0.232,1024 15.976,1025 -0.356,1026 9.858,1027 12.329,1029 19.507,1030 9.629,1031 3.203,1032 -0.65,1033 17.796,1034 -0.521,1035 10.814,1036 13.48,1038 21.783,1039 10.546,1040 2.744,1041 11.08,1042 19.63,1043 -1.517,1044 12.004,1045 15.044,1047 24.201,1048 11.714,1049 2.573,1050 8.826,1051 21.474,1052 4.3,1053 13.058,1054 16.325,1056 26.546,1057 12.731,1058 2.312,1059 7.837,1060 23.327,1061 3.726,1062 14.214,1063 17.823,1065 28.949,1066 13.862,1067 2.192,1068 6.17,1069 25.188,1070 3.568,1071 15.318,1072 19.179,1074 31.324,1075 14.929,1076 1.764,1077 5.992,1078 27.054,1079 3.238,1080 16.466,1081 20.646,1083 33.723,1084 16.048,1085 1.414,1086 4.826,1087 28.926,1088 2.906,1089 17.594,1090 22.043,1092 36.113,1093 17.141,1094 6547,1095 11639,1096 19.186,1097 27.978,1098 42.715,1099 42.412,1100 43.082,1101 42.187,1102 42.072,1103 58.864,1105 120.077,1106 40.549,1107 5.262,1108 5.208,1109 6.549,1110 5.206,1111 5.203,1112 7.3,1114 18.235,1115 5.103,1116 9.29,1117 1.526,1118 1.515,1119 1.539,1120 1.507,1121 1.503,1122 2.102,1124 4.288,1125 1.448,1126 4.088,1127 4.124,1128 4.056,1129 3.986,1130 8.201,1131 3.998,1132 3.872,1133 3.895,1134 3.818,1135 3.809,1136 6.471,1137 3.807,1138 3.829,1139 3.865,1140 3.772,1141 3.74,1142 5.028,1143 3.743,1144 3.595,1145 3.65,1146 3.545,1147 3.413,1148 4.835,1149 3.441,1150 2.964,1151 2.987,1152 2.918,1153 2.822,1154 4.601,1155 2.837,1156 2.854,1157 2.925,1158 2.768,1159 2.735,1160 4.461,1161 2.715,1162 2.854,1163 2.925,1164 2.687,1165 2.735,1166 3.777,1167 2.715,1168 2.854,1169 2.925,1170 2.687,1171 2.735,1172 3.674,1173 2.715,1174 0.163,1175 0.115,1176 0.241,1177 0.149,1178 0.114,1179 4.567,1180 0.154,1181 3.208,1183 6.747,1184 0.396,1185 4.171,1186 0.111,1187 3.203,1188 4.3,1190 11.08,1191 3.103,1192 1.926,1193 1.902,1194 2.012,1195 2.02,1196 1.119,1197 2.019,1198 1.9,1199 1.877,1200 1.997,1201 1.996,1202 1.081,1203 1.997,1204 1.811,1205 1.779,1206 1.921,1207 1.923,1208 0.97,1209 1.925,1210 1.3,1211 1.242,1212 1.423,1213 1.563,1214 0.466,1215 1.528,1216 1.217,1217 1.181,1218 1.274,1219 1.391,1220 0.33,1221 1.357,1222 0.886,1223 0.821,1224 1.181,1225 1.062,1226 0.218,1227 1.107,1228 0.886,1229 0.821,1230 1.181,1231 1.062,1232 0.218,1233 1.107,1234 0.886,1235 0.821,1236 1.181,1237 1.062,1238 0.218,1239 1.107,1240 4.043,1242 5.361,1243 2.398,1244 6.876,1245 4.727,1246 8.474,1247 6.862,1248 10.115,1252 13.274,1255 9.472,1267 27.323,1268 61.634,1269 121.137,1270 154.911,1271 178.131,1272 182.131,1273 182.131,1274 36.524,1275 7.245,1276 61.8,1277 61.8,1278 23,1279 12.507,1280 4.585,1281 3.644,1282 35.604,1283 81,1284 91,1285 0.214,1286 166.42,1287 280.34,1288 397.824,1289 11732,1290 2.6,1291 17.225,1292 0.689,1293 0.526,1294 16.355,1295 13.148,1296 12.204,1297 0.436,1298 0.277,1299 7.673,1300 11.82,1301 7.539,1302 6.24,1303 11.81,1304 7.763,1305 10.997,1306 0.282,1307 0.144,1308 10.375,1309 5.599,1310 9.348,1311 0.18,1312 0.076,1313 8.938,1314 3.931,1315 7.648,1316 0.111,1317 0.039,1318 7.496,1319 2.673,1320 6.576,1321 0.071,1322 0.02,1323 6.346,1324 1.857,1325 0.326,1326 75.981,1327 0.228,1328 23.908,1329 0.624,1330 134,1331 431.884,1332 145.485,1333 402.495,1334 550.06,1335 376,1336 158,1337 407.547,1338 168.927,1339 410.619,1340 598.6,1341 388,1342 5}
{0 CHEMBL288441,1 1.692,2 14.556,3 4.883,4 23.847,5 142.137,6 8.162,7 0.436,8 4.273,9 4.384,10 3.916,11 3.784,12 5.376,13 3.77,14 4.831,15 5.013,16 4.276,17 4.168,18 5.83,19 4.139,20 5.047,21 5.227,22 4.462,23 4.366,24 6.1,25 4.306,26 5.171,27 5.39,28 4.438,29 4.411,30 6.182,31 4.3,32 5.173,33 5.417,34 4.323,35 4.353,36 6.121,37 4.252,38 5.067,39 5.27,40 4.381,41 4.327,42 6.127,43 4.251,44 5.082,45 5.292,46 4.382,47 4.291,48 6.218,49 4.216,50 4.969,51 5.165,52 4.319,53 4.22,54 6.095,55 4.143,56 0.069,57 0.928,58 12.114,59 5.76,60 11.444,61 7.328,62 0.459,63 1.455,64 27.478,65 9.309,66 28.265,67 11.987,68 0.67,69 1.759,70 37.048,71 12.412,72 44.354,73 16.176,74 0.747,75 1.885,76 48.447,77 15.391,78 65.448,79 20.506,80 0.786,81 1.823,82 47.666,83 15.1,84 61.843,85 20.601,86 0.545,87 1.697,88 38.227,89 13.209,90 51.397,91 17.233,92 0.835,93 1.649,94 44.73,95 12.79,96 81.487,97 16.75,98 0.591,99 1.526,100 34.875,101 12.092,102 61.341,103 15.781,104 46,105 54,106 0.269,107 0.578,108 0.758,109 0.819,110 0.844,111 0.858,112 3.616,113 0.956,114 -2.61,115 -2.63,116 -2.56,118 40,120 1,123 3,124 6,138 4,139 2,140 7,141 1,142 1,151 1,163 1,167 9,172 3,173 4,176 2,177 6,182 3,184 5,187 3,188 2,191 3,193 1,195 5,199 1,200 5,203 1,205 1,208 6,213 8,216 1,221 4,224 3,225 7,233 4,236 4,237 5,242 1,245 2,248 1,249 5,257 1,260 2640,261 24.488,262 24.488,263 24.488,264 24.488,265 24.488,266 22.307,267 34.549,268 14.273,269 25.536,270 19.034,271 19.034,272 19.034,273 19.034,274 19.034,275 15.477,276 46.674,277 6.518,278 20.636,279 4.33,280 2.381,281 1.254,282 0.866,283 0.712,284 0.619,285 4.31,286 2,289 1,290 1115,291 3.742,294 447.348,298 171.585,301 2.469,302 35.703,305 0.75,306 0.83,307 0.67,308 0.9,309 0.5,310 0.83,311 1,312 0.78,313 78.167,314 524,315 4.641,316 4.073,317 6.744,318 4.181,319 3.209,320 4.576,321 2.035,322 11.06,323 3.122,324 4.356,325 3.389,326 6.254,327 3.898,328 2.975,329 4.047,330 0.86,331 9.396,332 2.714,333 4.121,334 3.291,335 6.128,336 3.692,337 2.75,338 3.649,339 0.86,340 8.973,341 2.58,342 3.712,343 3.03,344 5.738,345 3.539,346 2.618,347 3.095,348 0.86,349 7.555,350 2.409,351 3.696,352 2.944,353 5.593,354 3.271,355 2.381,356 3.022,357 0.8,358 7.155,359 2.127,360 3.618,361 2.869,362 5.412,363 3.159,364 2.199,365 2.643,366 0.8,367 7.12,368 2.046,369 3.356,370 2.49,371 4.889,372 3.027,373 2.116,374 2.617,375 0.4,376 5.696,377 1.928,378 3.12,379 2.318,380 4.869,381 2.826,382 1.885,383 2.239,385 5.397,386 1.766,387 3.058,388 2.29,389 4.569,390 2.606,391 1.711,392 2.118,394 4.732,395 1.479,396 2.992,397 2.215,398 4.338,399 2.475,400 1.56,401 1.821,403 3.968,404 1.405,405 2.748,406 1.905,407 3.731,408 2.195,409 1.257,410 1.407,411 2.927,412 1.166,413 2.414,414 1.642,415 3.54,416 1.967,417 1,418 1.289,419 2.275,420 0.965,421 2.058,422 1.476,423 3.414,424 1.779,425 0.954,426 1,427 2.202,428 0.751,429 2,430 1.146,431 3.306,432 1.595,433 0.711,434 0.968,435 1.396,436 0.6,437 1.819,438 1.023,439 3.093,440 1.518,441 0.612,442 0.72,443 1.318,444 0.545,445 17.429,446 0.484,447 0.831,448 0.023,449 45.25,450 1.257,451 21,452 0.583,453 24.25,454 0.674,455 35.284,456 0.98,457 39.571,458 0.609,459 37.538,460 1.043,461 8.985,462 0.25,463 8.441,464 0.234,465 0.191,467 0.333,471 0.833,472 1.513,473 0.608,474 1.108,475 0.563,476 0.979,477 1.305,478 0.972,479 0.709,480 0.683,481 0.682,482 0.71,483 0.971,484 1.108,485 0.882,486 0.996,487 0.662,488 0.976,489 0.764,490 0.99,491 0.836,492 1.008,493 0.734,494 1.026,495 0.794,496 0.859,497 0.739,498 0.856,499 0.746,500 0.836,501 1.09,502 1.073,503 0.804,504 0.917,505 0.966,506 0.913,507 1.22,508 0.902,509 1.054,510 0.911,511 1.181,512 0.895,513 0.897,514 1.096,515 0.821,516 1.053,517 0.848,518 1.018,519 7.5,520 0.264,521 4.444,522 2.125,523 2.596,524 1.278,525 0.973,526 0.833,527 0.537,528 0.341,529 19781,530 56853,531 2.04,532 44.6,534 25,536 1,537 1,540 2,542 1.775,543 1.895,544 3.765,545 -0.327,550 109.996,551 1.692,552 3.641,553 4.769,554 5.157,555 5.311,556 5.403,557 3.288,558 4.705,559 5.133,560 3.976,561 2504.59,562 9.031,563 40531.6,568 391.454,569 1.459,570 5.092,571 0.192,572 0.008,573 0.082,574 0.035,575 0.048,576 0.024,577 0.018,578 0.016,579 0.011,580 0.008,581 0.443,582 0.33,583 0.88,584 0.873,585 197.773,586 -0.041,587 -0.293,588 0.032,589 -0.131,590 0.044,591 -0.042,592 -0.217,593 0.142,594 0.06,595 0.244,596 -0.008,597 0.206,598 0.026,599 -0.025,600 0.003,601 -0.025,602 0.1,603 -0.026,604 0.115,605 0.004,606 0.077,607 -0.018,608 0.121,609 -0.03,610 0.099,611 0.086,612 0.134,613 0.12,614 0.097,615 0.17,616 -0.072,617 -0.066,618 0.067,619 0.059,620 0.025,621 0.059,622 -0.039,623 0.096,624 -0.005,625 0.066,626 0.064,627 0.063,628 0.126,629 -0.083,630 0.073,631 -0.072,632 0.19,633 -0.046,634 1.31,635 3.745,636 0.611,637 47.741,638 1.01,639 1.129,640 1.375,641 1.892,642 0.677,643 3.689,644 4.007,645 4.29,646 4.533,647 4.82,648 4.913,649 5.011,650 5.165,651 5.298,652 5.328,653 8.319,654 0.642,655 530.5,656 3.689,657 5.231,658 6.084,659 6.961,660 7.836,661 8.719,662 9.602,663 10.491,664 11.379,665 12.271,666 7.7,669 2,674 1,675 1,676 1,680 2,681 5,682 1,686 8,688 17,689 1,699 1,703 3,704 2,705 65,706 18,707 2,708 39,710 68,711 26,712 15,713 8,714 4,717 4,718 5,719 2,727 1,728 1,729 15,730 10,747 29,748 8,749 1,750 10,751 2,755 5,760 0.75,761 3,773 1,779 4,783 1,800 2,803 3,807 3,808 2,811 36,817 7,818 1,819 3,822 2,825 1,829 1,831 1,832 2,833 4.6,838 3,841 19,842 12.752,843 8.167,844 3.792,847 3.505,848 1.428,849 0.963,850 9.127,851 11.694,852 3.922,853 4.5,854 5.107,855 5.692,856 6.322,857 6.711,858 7.12,859 7.564,860 7.999,861 8.189,862 0.9,863 60,864 13.269,865 5.517,866 7.719,867 25.373,868 20.365,869 2.219,870 79.889,874 329.591,875 147.52,876 72.104,877 78.297,878 33,881 147.52,882 440.888,883 72.104,884 30.162,885 17.655,886 37.905,887 45.158,888 133.513,890 317.82,891 78.297,892 329.591,893 219.624,894 33,895 78.297,897 306.049,898 56.542,900 84.166,901 118.673,902 95.083,904 329.591,905 105.104,906 225.817,909 329.591,910 53.803,911 83.364,912 34.612,913 159.142,914 329.591,915 105.104,916 225.817,918 0.575,919 0.349,920 0.186,921 0.107,922 24,923 12,924 0.132,925 9,926 1,927 1.091,928 4.563,929 340.42,930 0.091,931 22,932 182.117,936 26.743,937 12.286,938 6.345,939 1.351,940 105.104,941 8.458,942 4.48,946 3.866,948 18.011,949 660.512,950 49.5,960 65.625,961 73.405,962 0.281,963 0.605,964 0.792,965 0.856,966 0.882,967 0.897,968 5.178,969 1.885,970 6.071,971 5.696,972 4.691,973 5.187,974 2.77,975 6.884,976 4.539,977 6.384,978 1.711,979 7.636,980 5.397,981 4.29,982 5.085,983 0.57,984 7.796,985 4.046,986 7.699,987 1.56,988 9.298,989 4.732,990 6.293,991 7.42,992 3.677,993 10.882,994 6.03,995 9.048,996 1.257,997 11.017,998 3.968,999 6.698,1000 8.155,1001 0.479,1002 12.597,1003 6.355,1004 10.43,1005 1,1006 12.771,1007 2.927,1008 8.165,1009 9.985,1010 4.983,1011 15.213,1012 7.807,1013 11.835,1014 0.954,1015 14.549,1016 2.275,1017 8.945,1018 11.11,1019 0.346,1020 17.281,1021 8.527,1022 13.258,1023 0.711,1024 16.346,1025 2.202,1026 10.201,1027 12.743,1028 6.381,1029 19.737,1030 9.765,1031 3.209,1032 0.612,1033 18.156,1034 1.396,1035 11.164,1036 14.059,1037 0.237,1038 21.97,1039 10.684,1040 2.975,1041 11.06,1042 19.977,1043 1.318,1044 12.337,1045 15.61,1046 7.798,1047 24.37,1048 11.836,1049 2.75,1050 9.396,1051 21.808,1052 4.576,1053 13.388,1054 17.02,1055 0.158,1056 26.683,1057 12.855,1058 2.618,1059 8.973,1060 23.646,1061 4.047,1062 14.531,1063 18.539,1064 9.218,1065 29.067,1066 13.978,1067 2.381,1068 7.555,1069 25.491,1070 3.649,1071 15.627,1072 19.997,1073 0.104,1074 31.419,1075 15.048,1076 2.199,1077 7.155,1078 27.343,1079 3.095,1080 16.762,1081 21.506,1082 10.638,1083 33.803,1084 16.164,1085 2.116,1086 7.12,1087 29.199,1088 3.022,1089 17.88,1090 22.988,1091 0.068,1092 36.175,1093 17.26,1094 19083,1095 32774,1096 25.66,1097 44.006,1098 58.42,1099 61.514,1100 60.367,1101 57.342,1102 57.166,1103 71.872,1104 13.229,1105 164.588,1106 52.328,1107 5.641,1108 6.073,1109 6.424,1110 5.25,1111 5.209,1112 7.576,1113 4.069,1114 18.287,1115 5.122,1116 20.414,1117 1.498,1118 1.577,1119 1.548,1120 1.47,1121 1.466,1122 1.843,1123 0.339,1124 4.22,1125 1.342,1126 4.102,1127 4.123,1128 4.131,1129 4.02,1130 6.82,1131 4.031,1132 3.898,1133 3.936,1134 4.026,1135 3.838,1136 5.075,1137 3.835,1138 3.858,1139 3.906,1140 3.736,1141 3.656,1142 4.997,1143 3.665,1144 3.62,1145 3.661,1146 3.611,1147 3.468,1148 4.688,1149 3.486,1150 3.502,1151 3.556,1152 3.555,1153 3.343,1154 4.656,1155 3.337,1156 3.268,1157 3.326,1158 3.363,1159 3.012,1160 4.493,1161 3.026,1162 3.236,1163 3.303,1164 3.212,1165 2.977,1166 4.474,1167 2.998,1168 3.19,1169 3.282,1170 3.119,1171 2.941,1172 4.387,1173 2.94,1174 0.119,1175 0.104,1176 0.173,1177 0.107,1178 0.082,1179 4.641,1180 0.117,1181 4.073,1182 0.052,1183 6.744,1184 0.284,1185 4.181,1186 0.08,1187 3.209,1188 4.576,1189 2.035,1190 11.06,1191 3.122,1192 2.038,1193 2.021,1194 2.082,1195 2.134,1196 1.336,1197 2.12,1198 1.853,1199 1.844,1200 2.014,1201 2.03,1202 1.233,1203 2.032,1204 1.799,1205 1.726,1206 1.889,1207 1.939,1208 1.12,1209 1.936,1210 1.571,1211 1.529,1212 1.818,1213 1.782,1214 1.045,1215 1.794,1216 1.476,1217 1.427,1218 1.626,1219 1.659,1220 0.825,1221 1.649,1222 1.198,1223 1.131,1224 1.561,1225 1.51,1226 0.671,1227 1.527,1228 1.181,1229 1.108,1230 1.542,1231 1.481,1232 0.641,1233 1.501,1234 1.162,1235 1.064,1236 1.513,1237 1.429,1238 0.572,1239 1.455,1240 4.369,1242 5.687,1244 7.209,1246 8.828,1248 10.5,1250 5.273,1251 12.604,1256 6.832,1257 3.261,1258 17.025,1261 4.805,1265 9.745,1266 2.19,1267 41.755,1268 109.996,1269 236.683,1270 309.97,1271 335.189,1272 345.189,1273 351.189,1274 72.029,1275 8.188,1276 82.88,1277 82.88,1278 24,1279 12.799,1280 4.248,1281 3.524,1282 62.202,1283 176,1284 220,1285 0.169,1286 263.95,1287 461.61,1288 635.797,1289 45361,1290 3.1,1291 25.656,1292 0.713,1293 0.614,1294 26.656,1295 22.118,1296 17.427,1297 0.447,1298 0.319,1299 11.512,1300 16.021,1301 11.105,1302 9.192,1303 18.004,1304 12.433,1305 15.234,1306 0.282,1307 0.175,1308 15.975,1309 9.432,1310 13.196,1311 0.183,1312 0.095,1313 13.903,1314 6.855,1315 10.596,1316 0.115,1317 0.051,1318 11.348,1319 4.657,1320 8.905,1321 0.072,1322 0.027,1323 9.35,1324 3.275,1325 0.269,1326 116.575,1327 0.197,1328 33.236,1329 0.455,1330 186,1331 582.527,1332 234.637,1333 613.408,1334 812.98,1335 574,1336 219,1337 540.271,1338 263.019,1339 569.569,1340 830.61,1341 530,1342 8.398}
{0 CHEMBL291759,1 1.617,2 16.125,3 3.683,4 13.562,5 156.65,6 7.213,7 0.25,8 4.459,9 4.58,10 4.101,11 3.976,12 5.428,13 3.933,14 5.07,15 5.258,16 4.421,17 4.401,18 6.182,19 4.335,20 5.332,21 5.549,22 4.451,23 4.576,24 6.318,25 4.473,26 5.417,27 5.646,28 4.391,29 4.596,30 6.397,31 4.475,32 5.42,33 5.669,34 4.394,35 4.542,36 6.369,37 4.422,38 5.368,39 5.608,40 4.416,41 4.532,42 6.325,43 4.423,44 5.378,45 5.619,46 4.407,47 4.568,48 6.398,49 4.451,50 5.435,51 5.676,52 4.394,53 4.596,54 6.363,55 4.462,56 0.104,57 1.201,58 20.975,59 7.657,60 16.592,61 10.189,62 0.647,63 1.952,64 37.713,65 12.908,66 75.861,67 17.882,68 0.654,69 2.351,70 52.571,71 17.81,72 71.023,73 24.039,74 0.579,75 2.447,76 53.866,77 18.705,78 91.359,79 26.088,80 0.745,81 2.374,82 55.743,83 18.069,84 93.219,85 25.654,86 0.803,87 2.332,88 53.555,89 17.544,90 83.049,91 24.723,92 0.725,93 2.392,94 51.476,95 17.653,96 120.965,97 25.625,98 0.736,99 2.52,100 55.97,101 18.527,102 87.967,103 26.28,104 47,105 63,106 0.247,107 0.563,108 0.776,109 0.836,110 0.867,111 0.867,112 3.717,113 1.071,114 -2.75,115 -2.76,116 -2.68,118 36.7,119 1,120 6,123 1,124 7,132 1,133 1,138 3,139 3,140 2,148 2,151 2,163 11,166 2,167 3,170 3,172 7,173 12,176 3,177 7,182 9,184 13,188 8,193 5,195 12,200 7,203 1,204 1,205 3,208 12,212 2,213 7,216 3,217 1,218 4,221 9,224 2,225 7,228 1,230 4,233 8,237 10,240 2,241 1,242 3,245 7,248 1,249 9,252 2,254 2,257 5,260 3742,261 27.004,262 27.004,263 27.004,264 27.004,265 27.004,266 25.004,267 32.392,268 15.729,269 27.658,270 21.607,271 21.607,272 21.607,273 21.607,274 21.607,275 18.093,276 33.571,277 7.314,278 22.565,279 4.686,280 2.616,281 1.222,282 0.829,283 0.627,284 0.627,285 4.419,289 1,290 1391,291 4.743,293 178.855,294 354.607,297 338.528,301 2.338,302 50.478,305 0.75,306 0.5,307 0.67,308 0.9,309 1,310 0.67,311 0.5,312 0.71,313 87.5,314 645,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 2.473,322 12.389,323 3.224,324 4.589,325 3.709,326 6.786,327 4.202,328 3.224,329 4.294,330 1.058,331 11.195,332 3.114,333 4.44,334 3.654,335 6.683,336 4.078,337 3.095,338 4.029,339 0.841,340 10.8,341 2.99,342 3.786,343 3.37,344 5.615,345 3.63,346 2.7,347 3.084,348 0.8,349 7.591,350 2.507,351 3.687,352 2.947,353 5.557,354 3.338,355 2.394,356 2.91,357 0.297,358 7.274,359 2.269,360 3.531,361 2.742,362 5.43,363 3.27,364 2.279,365 2.658,367 6.72,368 2.235,369 3.429,370 2.531,371 5.248,372 3.113,373 2.108,374 2.562,376 6.546,377 2.111,378 3.152,379 2.45,380 4.908,381 2.918,382 1.988,383 2.312,385 5.407,386 1.841,387 3.075,388 2.096,389 4.84,390 2.782,391 1.808,392 2.188,394 5.323,395 1.748,396 3.03,397 1.837,398 4.758,399 2.638,400 1.669,401 2.09,403 5.1,404 1.613,405 2.952,406 1.814,407 4.685,408 2.529,409 1.527,410 2.062,411 4.475,412 1.521,413 2.519,414 1.783,415 3.86,416 2.365,417 1.37,418 1.489,419 3.12,420 1.362,421 2.372,422 1.505,423 3.614,424 2.272,425 1.286,426 1.329,427 2.91,428 1.266,429 2.276,430 1.37,431 3.58,432 1.967,433 1.025,434 1.172,435 2.275,436 0.965,437 2.115,438 1.146,439 3.414,440 1.96,441 1,442 1.067,443 2.21,444 0.944,445 19,446 0.475,447 1.06,448 0.026,449 44.25,450 1.106,451 18,452 0.45,453 26.25,454 0.656,455 45.092,456 1.127,457 45.8,458 0.58,459 38.277,460 0.957,461 8.177,462 0.204,463 11.107,464 0.278,465 0.123,466 0.044,467 0.305,471 0.653,472 1.512,473 0.858,474 1.306,475 0.578,476 1.073,477 0.732,478 1.09,479 0.882,480 0.948,481 0.472,482 0.941,483 0.927,484 1.013,485 1.076,486 1.056,487 0.767,488 1.002,489 0.979,490 1.107,491 0.965,492 1.053,493 1.035,494 1.108,495 0.982,496 0.966,497 0.841,498 0.891,499 0.968,500 0.94,501 0.794,502 0.976,503 0.868,504 0.952,505 0.791,506 0.954,507 0.647,508 1.051,509 0.788,510 0.948,511 0.634,512 1.002,513 0.89,514 1.06,515 0.996,516 1.019,517 0.841,518 1.097,519 9,520 0.312,521 5.111,522 3.34,523 1.778,524 1.504,525 1.275,526 0.75,527 0.461,528 0.47,529 27190,530 71760,531 2.071,532 49.4,533 8,534 21,537 3,538 2,539 5,542 1.8,543 1.928,544 3.895,545 0.781,550 127.767,551 1.617,552 3.688,553 5.082,554 5.475,555 5.677,556 5.677,557 3.366,558 5.003,559 5.287,560 4.102,561 3199.94,562 9.339,563 56511,568 497.999,569 1.553,570 5.243,571 0.205,572 0.007,573 0.081,574 0.051,575 0.03,576 0.026,577 0.021,578 0.012,579 0.008,580 0.009,581 0.45,582 0.33,583 0.5,584 1.242,585 227.542,586 0.033,587 -0.192,588 0.176,589 -0.073,590 -0.067,591 0.016,592 0.156,593 0.077,594 0.066,595 0.085,596 0.205,597 0.064,598 -0.043,599 0.059,600 -0.059,601 0.009,602 0.026,603 0.016,604 -0.103,605 -0.097,606 -0.085,607 -0.084,608 -0.062,609 -0.104,610 -0.042,611 -0.002,612 0.062,613 0.047,614 -0.046,615 0.046,616 0.079,617 0.034,618 0.058,619 0.019,620 0.018,621 0.042,622 0.104,623 -0.042,624 0.056,626 0.142,627 0.007,628 -0.053,629 -0.03,630 -0.085,631 -0.057,632 -0.047,633 -0.106,634 4.55,635 5.973,636 0.6,637 53.533,638 1.003,639 1.133,640 1.521,641 2.313,642 0.644,643 3.807,644 4.159,645 4.443,646 4.71,647 4.942,648 5.081,649 5.293,650 5.455,651 5.509,652 5.649,653 9.042,654 0.605,655 569.8,656 3.807,657 5.371,658 6.232,659 7.127,660 8.01,661 8.912,662 9.805,663 10.711,664 11.612,665 12.521,666 6.3,668 1,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 79,706 16,707 1,708 44,710 83,711 29,712 10,713 3,714 3,715 3,717 5,718 7,721 1,724 4,727 6,729 14,730 15,733 5,736 1,737 4,738 1,740 3,747 39,748 9,749 3,750 11,751 1,755 5,760 0.6,761 5,775 1,778 2,779 3,782 2,790 1,793 1,795 1,796 1,800 2,803 3,805 1,807 2,811 40,815 1,817 13,818 2,819 1,822 2,833 6.3,836 4,838 1,841 20.75,842 14.483,843 8.792,844 5.183,847 3.136,848 1.353,849 0.991,850 9.129,851 12.01,852 4.016,853 4.593,854 5.104,855 5.629,856 6.119,857 6.521,858 6.964,859 7.357,860 7.639,861 8.011,862 0.909,863 65,864 15.181,865 6.79,866 7.802,867 29.005,868 24.726,869 2.302,870 92.083,874 423.76,875 127.827,876 57.45,878 105.603,880 5.807,881 122.02,882 529.362,883 57.45,884 17.222,885 50.445,886 60.117,887 106.499,888 51.084,889 5.513,890 423.76,892 423.76,893 179.47,894 105.603,895 5.807,897 364.904,898 164.458,900 98.709,901 71.284,902 15.284,904 423.76,905 163.053,906 127.827,908 5.807,909 423.76,910 66.893,911 61.375,912 51.201,913 105.603,914 423.76,915 163.053,916 127.827,918 0.584,919 0.344,920 0.18,921 0.096,922 30,923 14,924 0.133,925 11,926 2,927 1.167,928 4.925,929 401.339,930 0.167,931 24,932 204.877,935 1,936 29.027,937 12.58,938 6.554,940 146.267,941 4.712,943 3.608,946 6.194,948 51.201,949 714.639,950 54.5,953 -3.634,954 49.576,955 1.902,957 0.085,960 79.243,961 89.517,962 0.257,963 0.585,964 0.806,965 0.868,966 0.901,967 0.901,968 5.297,969 1.988,970 6.248,971 6.546,972 4.844,973 5.281,974 2.757,975 7.109,976 4.767,977 6.512,978 1.808,979 7.844,980 5.407,981 4.575,982 5.373,983 2.321,984 8.257,985 4.443,986 7.858,987 1.669,988 9.549,989 5.323,990 6.521,991 7.528,992 3.969,993 11.316,994 6.357,995 9.245,996 1.527,997 11.322,998 5.1,999 7.083,1000 8.475,1001 4.332,1002 13.304,1003 6.857,1004 10.673,1005 1.37,1006 13.139,1007 4.475,1008 8.529,1009 10.185,1010 5.574,1011 15.944,1012 8.275,1013 12.129,1014 1.286,1015 14.988,1016 3.12,1017 9.453,1018 11.474,1019 6.245,1020 18.245,1021 9.14,1022 13.606,1023 1.025,1024 16.861,1025 2.91,1026 10.723,1027 13.048,1028 7.307,1029 20.765,1030 10.377,1031 3.397,1032 1,1033 18.752,1034 2.275,1035 11.802,1036 14.471,1037 8.104,1038 23.179,1039 11.402,1040 3.224,1041 12.389,1042 20.658,1043 2.21,1044 13.013,1045 16.004,1046 9.085,1047 25.668,1048 12.575,1049 3.095,1050 11.195,1051 22.575,1052 4.71,1053 14.157,1054 17.482,1055 9.938,1056 28.124,1057 13.668,1058 2.7,1059 10.8,1060 24.501,1061 4.294,1062 15.351,1063 19.004,1064 10.88,1065 30.607,1066 14.82,1067 2.394,1068 7.591,1069 26.435,1070 4.029,1071 16.523,1072 20.507,1073 11.76,1074 33.081,1075 15.943,1076 2.279,1077 7.274,1078 28.375,1079 3.084,1080 17.714,1081 22.028,1082 12.683,1083 35.566,1084 17.09,1085 2.108,1086 6.72,1087 30.319,1088 2.91,1089 18.899,1090 23.544,1091 13.576,1092 38.05,1093 18.226,1094 25951,1095 42438,1096 29.126,1097 50.892,1098 66.09,1099 69.035,1100 68.783,1101 65.921,1102 65.911,1103 80.627,1104 10.938,1105 195.347,1106 63.467,1107 5.855,1108 6.684,1109 7.066,1110 5.397,1111 5.397,1112 7.71,1113 4.215,1114 19.645,1115 5.224,1116 22.143,1117 1.502,1118 1.569,1119 1.563,1120 1.498,1121 1.498,1122 1.832,1123 0.249,1124 4.44,1125 1.442,1126 4.144,1127 4.163,1128 4.735,1129 4.101,1130 7.717,1131 4.06,1132 4.036,1133 4.045,1134 4.05,1135 3.967,1136 7.433,1137 3.941,1138 3.868,1139 3.938,1140 3.864,1141 3.707,1142 7.428,1143 3.677,1144 3.798,1145 3.791,1146 3.759,1147 3.662,1148 6.999,1149 3.649,1150 3.625,1151 3.675,1152 3.51,1153 3.459,1154 4.831,1155 3.447,1156 3.544,1157 3.6,1158 3.41,1159 3.35,1160 4.683,1161 3.359,1162 3.441,1163 3.514,1164 3.31,1165 3.277,1166 4.48,1167 3.265,1168 3.322,1169 3.378,1170 3.214,1171 3.144,1172 4.351,1173 3.145,1174 0.11,1175 0.106,1176 0.166,1177 0.098,1178 0.077,1179 4.855,1180 0.107,1181 4.684,1182 0.056,1183 7.294,1184 0.282,1185 4.329,1186 0.073,1187 3.397,1188 4.71,1189 2.473,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.059,1195 2.042,1196 1.412,1197 2.059,1198 1.875,1199 1.834,1200 2.012,1201 2.021,1202 1.345,1203 2.042,1204 1.806,1205 1.74,1206 1.97,1207 1.985,1208 1.214,1209 2.005,1210 1.713,1211 1.679,1212 1.872,1213 1.871,1214 1.18,1215 1.876,1216 1.551,1217 1.527,1218 1.806,1219 1.785,1220 0.944,1221 1.785,1222 1.504,1223 1.473,1224 1.689,1225 1.719,1226 0.894,1227 1.744,1228 1.471,1229 1.417,1230 1.652,1231 1.69,1232 0.825,1233 1.695,1234 1.299,1235 1.241,1236 1.532,1237 1.543,1238 0.771,1239 1.538,1240 4.489,1242 5.832,1243 3.045,1244 7.363,1245 5.533,1246 8.979,1247 7.719,1248 10.64,1250 3.205,1256 11.535,1257 5.225,1258 5.077,1261 4.6,1267 47.824,1268 127.767,1269 291.369,1270 401.495,1271 432.489,1272 448.489,1273 448.489,1274 95.439,1275 8.873,1276 127.6,1277 135.98,1278 28,1279 13.039,1280 4.087,1281 3.524,1282 63.963,1283 209,1284 284,1285 0.142,1286 293.646,1287 523,1288 708.256,1289 111100,1291 28.277,1292 0.707,1293 0.604,1294 28.527,1295 24.162,1296 19.284,1297 0.438,1298 0.357,1299 14.147,1300 17.643,1301 13.703,1302 11.274,1303 20.105,1304 15.71,1305 17.704,1306 0.281,1307 0.199,1308 19.079,1309 12.521,1310 14.957,1311 0.178,1312 0.113,1313 16.096,1314 9.521,1315 12.219,1316 0.111,1317 0.061,1318 12.828,1319 6.721,1320 9.817,1321 0.071,1322 0.035,1323 10.352,1324 4.897,1325 0.228,1326 129.552,1327 0.185,1328 36.184,1329 0.379,1330 214,1331 619.827,1332 272.595,1333 607.503,1334 821.26,1335 564,1336 254,1337 568.718,1338 317.193,1339 606.419,1340 892.88,1341 571,1342 7.699}
{0 CHEMBL292930,1 1.654,2 14.553,3 3.083,4 9.504,5 147.133,6 7.421,7 0.262,8 4.39,9 4.508,10 4.056,11 3.914,12 5.396,13 3.876,14 4.991,15 5.172,16 4.385,17 4.352,18 6.169,19 4.289,20 5.272,21 5.484,22 4.407,23 4.534,24 6.286,25 4.429,26 5.373,27 5.608,28 4.338,29 4.549,30 6.34,31 4.424,32 5.35,33 5.597,34 4.343,35 4.483,36 6.325,37 4.363,38 5.297,39 5.537,40 4.357,41 4.451,42 6.303,43 4.344,44 5.268,45 5.506,46 4.349,47 4.46,48 6.336,49 4.358,50 5.292,51 5.506,52 4.352,53 4.507,54 6.297,55 4.392,56 0.138,57 1.128,58 19.053,59 7.009,60 21.646,61 9.126,62 0.618,63 1.85,64 33.772,65 11.943,66 86.957,67 16.357,68 0.645,69 2.253,70 48.981,71 16.927,72 78.054,73 22.611,74 0.626,75 2.343,76 51.547,77 17.988,78 96.335,79 25.019,80 0.721,81 2.229,82 51.716,83 17.219,84 100.951,85 24.195,86 0.82,87 2.159,88 50.149,89 16.435,90 98.4,91 22.881,92 0.77,93 2.149,94 46.192,95 15.521,96 127.186,97 22.345,98 0.697,99 2.26,100 47.166,101 16.202,102 91.137,103 22.222,104 45,105 61,106 0.256,107 0.588,108 0.769,109 0.835,110 0.869,111 0.869,112 3.668,113 1.052,114 -2.36,115 -2.39,116 -2.35,118 37,120 6,123 1,124 6,132 1,133 1,138 3,139 3,140 2,148 2,151 2,160 1,162 1,163 11,166 1,167 2,168 1,170 4,172 7,173 12,176 2,177 7,180 1,182 9,184 13,188 7,193 5,195 12,200 6,201 1,203 1,204 1,205 3,208 12,212 1,213 7,216 4,217 1,218 4,221 9,224 2,225 7,228 1,230 4,233 8,234 1,237 8,240 2,241 1,242 4,245 7,246 1,248 1,249 8,252 2,254 3,257 5,258 1,260 3178,261 25.427,262 25.427,263 25.427,264 25.427,265 25.427,266 23.374,267 30.301,268 14.654,269 25.892,270 20.658,271 20.658,272 20.658,273 20.658,274 20.658,275 17.125,276 31.952,277 6.885,278 21.431,279 4.536,280 2.397,281 1.229,282 0.805,283 0.586,284 0.586,285 4.37,289 1,290 1195,291 4.528,293 165.483,294 328.974,297 313.964,301 2.184,302 51.003,305 0.75,306 0.67,307 0.67,308 0.9,309 1,310 0.67,311 0.5,312 0.74,313 83.5,314 553,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 2.376,322 12.389,323 3.224,324 4.589,325 3.654,326 6.786,327 4.202,328 3.224,329 4.294,330 1.058,331 11.195,332 3.114,333 4.44,334 3.631,335 6.683,336 4.078,337 3.095,338 4.029,339 0.823,340 10.8,341 2.99,342 3.746,343 3.37,344 5.615,345 3.616,346 2.687,347 3.084,348 0.8,349 7.516,350 2.493,351 3.687,352 2.942,353 5.533,354 3.293,355 2.339,356 2.838,358 7.274,359 2.265,360 3.486,361 2.742,362 5.43,363 3.262,364 2.277,365 2.657,367 6.605,368 2.2,369 3.426,370 2.525,371 5.201,372 3.11,373 2.104,374 2.53,376 6.532,377 2.107,378 3.147,379 2.449,380 4.908,381 2.84,382 1.869,383 2.312,385 5.402,386 1.8,387 3.05,388 2.096,389 4.84,390 2.769,391 1.799,392 2.186,394 5.101,395 1.729,396 3.021,397 1.837,398 4.685,399 2.637,400 1.669,401 2.083,403 4.512,404 1.612,405 2.952,406 1.783,407 4.399,408 2.529,409 1.527,410 2.034,411 4.475,412 1.521,413 2.519,414 1.505,415 3.859,416 2.365,417 1.37,418 1.489,419 3.117,420 1.362,421 2.371,422 1.37,423 3.614,424 2.267,425 1.278,426 1.326,427 2.907,428 1.261,429 2.273,430 1.146,431 3.58,432 1.967,433 1,434 1.168,435 2.275,436 0.965,437 2,438 1.013,439 3.414,440 1.839,441 0.845,442 1,443 2.204,444 0.838,445 18,446 0.474,447 1.098,448 0.029,449 43,450 1.132,451 18,452 0.474,453 25,454 0.658,455 41.247,456 1.085,457 43.2,458 0.592,459 37.047,460 0.975,461 7.996,462 0.21,463 10.25,464 0.27,465 0.12,466 0.046,467 0.322,471 0.678,472 1.465,473 0.85,474 1.251,475 0.625,476 1.025,477 0.613,478 1.101,479 0.864,480 0.954,481 0.411,482 0.95,483 0.83,484 1.041,485 1.088,486 1.096,487 0.733,488 1.048,489 0.874,490 1.054,491 0.927,492 1.016,493 0.836,494 1.083,495 0.865,496 0.974,497 0.81,498 0.914,499 0.869,500 0.958,501 0.767,502 0.975,503 0.847,504 0.953,505 0.817,506 0.95,507 0.676,508 0.98,509 0.752,510 0.873,511 0.612,512 0.929,513 0.945,514 1.117,515 1.061,516 1.085,517 0.885,518 1.176,519 9,520 0.312,521 4.889,522 3.215,523 1.778,524 1.504,525 1.254,526 0.707,527 0.44,528 0.47,529 23168,530 65202,531 2.075,532 47.9,533 8,534 19,537 4,538 2,539 2,542 1.789,543 1.924,544 3.771,545 1.501,550 120.731,551 1.654,552 3.792,553 4.96,554 5.385,555 5.604,556 5.604,557 3.255,558 4.827,559 5.214,560 3.984,561 2800.96,562 9.2,563 46955.4,568 451.857,569 1.584,570 5.165,571 0.214,572 0.007,573 0.08,574 0.052,575 0.032,576 0.027,577 0.022,578 0.012,579 0.008,580 0.01,581 0.464,582 0.17,583 0.63,584 1.006,585 211.668,586 0.002,587 -0.156,588 0.166,589 -0.033,590 -0.076,591 0.039,592 0.17,593 0.08,594 0.056,595 0.078,596 0.232,597 0.053,598 -0.034,599 0.035,600 -0.09,601 -0.028,602 0.016,603 -0.026,604 -0.081,605 -0.064,606 -0.06,607 -0.057,608 -0.041,609 -0.075,610 -0.011,611 -0.021,612 0.079,613 0.031,614 -0.034,615 0.042,616 0.092,617 0.012,618 0.078,619 0.014,620 0.003,621 0.049,622 0.101,623 0.02,624 0.093,625 0.061,626 0.132,627 0.071,628 -0.088,629 -0.054,630 -0.159,631 -0.106,632 -0.076,633 -0.184,634 4.554,635 5.929,636 0.632,637 47.066,638 1.007,639 1.133,640 1.127,641 1.271,642 0.649,643 3.761,644 4.127,645 4.407,646 4.682,647 4.92,648 5.056,649 5.273,650 5.429,651 5.476,652 5.628,653 8.413,654 0.613,655 541.74,656 3.761,657 5.333,658 6.196,659 7.096,660 7.981,661 8.886,662 9.781,663 10.69,664 11.592,665 12.503,666 6.8,668 1,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 73,706 16,707 1,708 42,710 77,711 27,712 10,713 3,714 3,715 3,717 5,718 7,724 4,727 6,729 14,730 13,733 5,736 1,737 4,738 1,740 3,747 35,748 9,749 4,750 11,751 1,755 5,760 0.6,761 5,775 1,778 2,779 3,782 2,790 1,792 1,795 1,796 1,800 2,801 1,803 3,805 1,807 1,811 38,815 1,816 1,817 12,818 2,822 2,833 6.8,835 1,836 4,841 19.75,842 13.017,843 8.208,844 4.608,847 3.139,848 1.358,849 0.991,850 8.077,851 11.894,852 3.98,853 4.572,854 5.079,855 5.615,856 6.112,857 6.515,858 6.96,859 7.354,860 7.635,861 8.009,862 0.9,863 62,864 14.425,865 6.552,866 7.897,867 27.356,868 23.615,869 2.397,870 91.083,874 364.904,875 108.128,876 57.45,878 137.286,880 5.807,881 102.321,882 502.19,883 57.45,884 8.396,885 45.852,886 60.117,887 142.901,888 40.084,889 5.513,890 364.904,892 364.904,893 159.77,894 137.286,895 5.807,897 341.362,898 160.828,900 85.291,901 65.003,902 15.284,904 364.904,905 194.736,906 108.128,908 5.807,909 364.904,910 56.019,911 52.55,912 51.201,913 137.286,914 364.904,915 194.736,916 108.128,918 0.591,919 0.342,920 0.18,921 0.098,922 30,923 14,924 0.117,925 9,926 2,927 1.167,928 4.739,929 379.24,930 0.167,931 24,932 193.421,935 1,936 27.1,937 11.326,938 5.926,940 177.951,941 4.681,943 3.586,946 6.098,948 93.885,949 667.768,950 52.5,953 -3.637,954 48.646,955 1.884,957 -0.56,960 73.476,961 82.687,962 0.267,963 0.613,964 0.801,965 0.87,966 0.905,967 0.905,968 5.267,969 1.869,970 6.221,971 6.532,972 4.812,973 5.26,974 2.658,975 7.088,976 4.742,977 6.491,978 1.799,979 7.821,980 5.402,981 4.575,982 5.373,983 2.321,984 8.247,985 4.443,986 7.841,987 1.669,988 9.53,989 5.101,990 6.497,991 7.517,992 3.784,993 11.304,994 6.342,995 9.232,996 1.527,997 11.305,998 4.512,999 7.074,1000 8.471,1001 4.185,1002 13.299,1003 6.851,1004 10.662,1005 1.37,1006 13.125,1007 4.475,1008 8.513,1009 10.179,1010 5.313,1011 15.938,1012 8.265,1013 12.119,1014 1.278,1015 14.976,1016 3.117,1017 9.444,1018 11.471,1019 5.992,1020 18.242,1021 9.133,1022 13.597,1023 1,1024 16.851,1025 2.907,1026 10.713,1027 13.045,1028 6.974,1029 20.763,1030 10.371,1031 3.397,1032 0.845,1033 18.744,1034 2.275,1035 11.795,1036 14.47,1037 7.759,1038 23.178,1039 11.397,1040 3.224,1041 12.389,1042 20.652,1043 2.204,1044 13.007,1045 16.002,1046 8.677,1047 25.667,1048 12.571,1049 3.095,1050 11.195,1051 22.57,1052 4.71,1053 14.152,1054 17.481,1055 9.507,1056 28.123,1057 13.665,1058 2.687,1059 10.8,1060 24.497,1061 4.294,1062 15.347,1063 19.003,1064 10.397,1065 30.606,1066 14.817,1067 2.339,1068 7.516,1069 26.432,1070 4.029,1071 16.519,1072 20.506,1073 11.246,1074 33.081,1075 15.941,1076 2.277,1077 7.274,1078 28.372,1079 3.084,1080 17.711,1081 22.028,1082 12.123,1083 35.566,1084 17.088,1085 2.104,1086 6.605,1087 30.318,1088 2.838,1089 18.897,1090 23.543,1091 12.981,1092 38.05,1093 18.225,1094 22028,1095 37188,1096 27.739,1097 47.37,1098 63.646,1099 66.171,1100 65.941,1101 63.495,1102 63.459,1103 78.207,1104 10.115,1105 189.939,1106 61.351,1107 5.855,1108 6.684,1109 6.975,1110 5.397,1111 5.397,1112 7.71,1113 3.99,1114 19.645,1115 5.224,1116 21.327,1117 1.515,1118 1.575,1119 1.57,1120 1.512,1121 1.511,1122 1.862,1123 0.241,1124 4.522,1125 1.461,1126 4.144,1127 4.162,1128 4.735,1129 4.1,1130 7.717,1131 4.06,1132 4.036,1133 4.045,1134 4.049,1135 3.967,1136 7.474,1137 3.941,1138 3.864,1139 3.936,1140 3.864,1141 3.707,1142 7.429,1143 3.673,1144 3.798,1145 3.791,1146 3.753,1147 3.659,1148 6.999,1149 3.649,1150 3.597,1151 3.658,1152 3.467,1153 3.455,1154 6.351,1155 3.439,1156 3.496,1157 3.548,1158 3.394,1159 3.318,1160 4.831,1161 3.317,1162 3.38,1163 3.423,1164 3.282,1165 3.182,1166 4.683,1167 3.196,1168 3.299,1169 3.357,1170 3.182,1171 3.099,1172 4.368,1173 3.107,1174 0.116,1175 0.112,1176 0.174,1177 0.103,1178 0.081,1179 4.855,1180 0.112,1181 4.684,1182 0.057,1183 7.294,1184 0.295,1185 4.329,1186 0.077,1187 3.397,1188 4.71,1189 2.376,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.059,1195 2.041,1196 1.412,1197 2.059,1198 1.875,1199 1.834,1200 2.012,1201 2.021,1202 1.345,1203 2.042,1204 1.805,1205 1.739,1206 1.97,1207 1.985,1208 1.214,1209 2.005,1210 1.712,1211 1.678,1212 1.87,1213 1.868,1214 1.18,1215 1.874,1216 1.542,1217 1.523,1218 1.692,1219 1.733,1220 0.895,1221 1.751,1222 1.486,1223 1.451,1224 1.652,1225 1.712,1226 0.825,1227 1.707,1228 1.342,1229 1.307,1230 1.552,1231 1.605,1232 0.771,1233 1.584,1234 1.232,1235 1.174,1236 1.513,1237 1.503,1238 0.747,1239 1.482,1240 4.443,1242 5.796,1243 3.045,1244 7.334,1245 5.533,1246 8.954,1247 7.719,1248 10.619,1250 1.369,1255 9.017,1256 10.435,1257 5.199,1261 4.364,1267 44.77,1268 120.731,1269 276.846,1270 362.109,1271 393.102,1272 409.102,1273 409.102,1274 91.103,1275 8.755,1276 138.6,1277 146.98,1278 28,1279 13.019,1280 4.087,1281 3.524,1282 59.044,1283 185,1284 231,1285 0.149,1286 274.461,1287 488.4,1288 661.445,1289 94204,1291 26.863,1292 0.707,1293 0.592,1294 27.113,1295 22.494,1296 18.246,1297 0.434,1298 0.351,1299 13.189,1300 16.678,1301 12.798,1302 10.505,1303 19.067,1304 14.734,1305 17.204,1306 0.282,1307 0.199,1308 18.579,1309 12.11,1310 14.245,1311 0.176,1312 0.114,1313 15.384,1314 9.221,1315 11.706,1316 0.109,1317 0.061,1318 12.315,1319 6.523,1320 9.601,1321 0.071,1322 0.035,1323 10.136,1324 4.793,1325 0.237,1326 122.993,1327 0.19,1328 34.529,1329 0.403,1330 206,1331 600.241,1332 263.155,1333 593.915,1334 797.06,1335 548,1336 245,1337 548.294,1338 306.531,1339 588.486,1340 863.87,1341 553,1342 8}
{0 CHEMBL293712,1 1.585,2 12.886,3 3.413,4 11.651,5 140.898,6 7.11,7 0.282,8 4.34,9 4.467,10 3.99,11 3.88,12 5.27,13 3.826,14 4.952,15 5.147,16 4.31,17 4.321,18 6.024,19 4.245,20 5.217,21 5.437,22 4.337,23 4.5,24 6.17,25 4.383,26 5.333,27 5.579,28 4.233,29 4.5,30 6.258,31 4.357,32 5.263,33 5.529,34 4.237,35 4.421,36 6.133,37 4.281,38 5.199,39 5.443,40 4.289,41 4.404,42 6.135,43 4.289,44 5.229,45 5.468,46 4.297,47 4.427,48 6.289,49 4.318,50 5.247,51 5.47,52 4.296,53 4.473,54 6.206,55 4.346,56 0.102,57 1.093,58 19.332,59 6.787,60 15.125,61 9.222,62 0.487,63 1.796,64 33.828,65 11.626,66 61.904,67 16.337,68 0.352,69 2.175,70 46.745,71 16.51,72 52.337,73 22.385,74 0.487,75 2.249,76 50.21,77 17.43,78 77.674,79 24.526,80 0.46,81 2.098,82 47.465,83 16.263,84 57.437,85 23.368,86 0.458,87 2.041,88 45.067,89 15.513,90 56.104,91 21.81,92 0.658,93 2.08,94 44.784,95 15.026,96 112.445,97 21.749,98 0.529,99 2.192,100 45.943,101 15.695,102 64.912,103 21.988,104 28,105 57,106 0.248,107 0.555,108 0.74,109 0.822,110 0.858,111 0.858,112 3.589,113 1.083,114 -2.89,115 -2.89,116 -2.8,118 37.1,120 6,123 2,124 5,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 3,172 7,173 12,176 1,177 7,182 9,184 13,188 7,193 5,195 12,200 6,203 1,204 1,205 3,208 12,213 7,216 3,217 1,218 4,221 9,224 2,225 7,228 1,230 4,233 8,237 7,240 2,241 1,242 3,245 7,248 1,249 7,252 2,254 2,257 5,260 2437,261 23.565,262 23.565,263 23.565,264 23.565,265 23.565,266 21.72,267 28.699,268 13.506,269 24.033,270 19.158,271 19.158,272 19.158,273 19.158,274 19.158,275 15.936,276 31.006,277 6.332,278 19.92,279 4.544,280 2.589,281 1.407,282 0.879,283 0.65,284 0.65,285 4.293,289 1,290 982,291 4.062,293 146.271,294 292.5,297 278.565,301 1.953,302 38.424,305 1,306 0.83,307 1,308 1,309 1,310 1,311 1,312 0.98,313 75.5,314 451,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 1.058,322 12.389,323 3.224,324 4.589,325 3.654,326 6.786,327 4.202,328 3.224,329 4.294,330 0.8,331 11.195,332 3.114,333 4.44,334 3.37,335 6.683,336 4.078,337 3.095,338 4.029,339 0.8,340 10.8,341 2.99,342 3.687,343 2.944,344 5.615,345 3.539,346 2.618,347 3.084,349 7.277,350 2.411,351 3.619,352 2.742,353 5.433,354 3.274,355 2.282,356 2.66,358 7.152,359 2.262,360 3.431,361 2.503,362 5.409,363 3.121,364 2.136,365 2.613,367 6.552,368 2.117,369 3.16,370 2.442,371 4.911,372 3.014,373 2.079,374 2.313,376 5.697,377 1.923,378 3.095,379 2.096,380 4.886,381 2.784,382 1.809,383 2.19,385 5.399,386 1.756,387 3.031,388 1.837,389 4.839,390 2.638,391 1.669,392 2.105,394 5.1,395 1.613,396 2.952,397 1.783,398 4.685,399 2.529,400 1.527,401 2.071,403 4.475,404 1.521,405 2.519,406 1.502,407 3.859,408 2.365,409 1.37,410 1.489,411 3.117,412 1.362,413 2.371,414 1.37,415 3.613,416 2.269,417 1.281,418 1.325,419 2.906,420 1.264,421 2.271,422 1.146,423 3.579,424 1.967,425 1,426 1.168,427 2.275,428 0.965,429 2,430 0.992,431 3.414,432 1.839,433 0.844,434 1,435 2.202,436 0.837,437 1.777,438 0.898,439 3.279,440 1.65,441 0.673,442 0.731,443 1.671,444 0.656,445 16.833,446 0.481,447 0.991,448 0.028,449 39.5,450 1.129,451 16.5,452 0.471,453 23,454 0.657,455 37.867,456 1.082,457 39.567,458 0.565,459 32.248,460 0.921,461 7.161,462 0.205,463 9.691,464 0.277,465 0.119,466 0.05,467 0.315,471 0.633,472 1.487,473 0.876,474 1.269,475 0.593,476 1.052,477 0.739,478 1.036,479 0.882,480 0.902,481 0.465,482 0.909,483 0.876,484 1.084,485 1.089,486 1.136,487 0.714,488 1.059,489 1.045,490 1.027,491 0.945,492 0.987,493 1.042,494 1.063,495 0.72,496 0.928,497 0.739,498 0.872,499 0.711,500 0.902,501 0.682,502 1.039,503 0.813,504 1.009,505 0.723,506 0.962,507 0.835,508 0.978,509 0.772,510 0.865,511 0.794,512 0.922,513 1.025,514 1.111,515 1.045,516 1.073,517 0.976,518 1.149,519 8,520 0.312,521 4.889,522 2.965,523 1.578,524 1.386,525 1.133,526 0.675,527 0.416,528 0.47,529 18065,530 42004,531 2.099,532 50,533 8,534 20,537 3,538 2,539 2,542 1.771,543 1.953,544 3.61,545 0.82,550 110.949,551 1.585,552 3.54,553 4.722,554 5.251,555 5.479,556 5.479,557 3.106,558 4.786,559 5.098,560 3.793,561 2256.86,562 8.977,563 34973.9,568 429.05,569 1.566,570 5.051,571 0.205,572 0.008,573 0.086,574 0.051,575 0.032,576 0.028,577 0.021,578 0.012,579 0.008,580 0.01,581 0.461,582 0.33,583 0.75,584 0.841,585 188.43,586 0.064,587 -0.178,588 0.195,589 -0.055,590 -0.085,591 0.03,592 0.155,593 0.134,594 0.07,595 0.119,596 0.229,597 0.093,598 -0.05,599 -0.009,600 -0.074,601 -0.063,602 0.058,603 -0.032,604 -0.109,605 -0.056,606 -0.068,607 -0.041,608 -0.055,609 -0.07,610 0.069,611 0.024,612 0.143,613 0.07,614 0.038,615 0.096,616 0.148,617 -0.034,618 0.107,619 -0.027,620 0.068,621 0.043,622 0.132,623 0.015,624 0.084,625 0.06,626 0.185,627 0.062,628 -0.056,629 -0.051,630 -0.127,631 -0.102,632 -0.055,633 -0.162,634 4.519,635 5.899,636 0.686,637 38.947,638 0.997,639 1.132,640 1.658,641 2.748,642 0.649,643 3.689,644 4.06,645 4.357,646 4.625,647 4.875,648 5.004,649 5.209,650 5.384,651 5.451,652 5.598,653 7.51,654 0.605,655 497.73,656 3.689,657 5.263,658 6.133,659 7.034,660 7.926,661 8.832,662 9.732,663 10.642,664 11.548,665 12.461,666 7.1,668 1,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 70,706 15,707 1,708 39,710 74,711 26,712 10,713 3,714 3,715 3,717 5,718 7,724 4,727 6,729 13,730 13,733 4,736 1,737 3,738 1,740 2,747 35,748 7,749 3,750 9,751 1,755 5,760 0.6,761 3,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 2,803 3,805 1,807 2,811 35,815 1,817 11,818 2,822 2,833 4.3,836 3,841 17.917,842 12.9,843 7.542,844 4.492,847 3.064,848 1.358,849 1.014,850 7.088,851 11.612,852 3.902,853 4.508,854 5.047,855 5.585,856 6.094,857 6.5,858 6.945,859 7.345,860 7.631,861 8.005,862 0.889,863 58,864 13.301,865 6.017,866 7.698,867 25.685,868 22.296,869 2.198,870 76.917,874 376.675,875 113.509,876 57.45,878 69.458,880 5.807,881 107.701,882 446.133,883 57.45,884 16.793,885 43.746,886 60.117,887 74.163,888 40.084,889 5.513,890 376.675,892 376.675,893 165.151,894 69.458,895 5.807,897 353.133,898 93,900 83.186,901 72.489,902 15.284,904 376.675,905 126.908,906 113.509,908 5.807,909 376.675,910 53.004,911 60.946,912 51.201,913 69.458,914 376.675,915 126.908,916 113.509,918 0.593,919 0.352,920 0.18,921 0.1,922 29,923 13,924 0.095,925 7,926 2,927 1.167,928 4.49,929 344.96,930 0.167,931 24,932 173.525,935 1,936 24.572,937 10.095,938 5.077,940 110.122,941 4.765,943 3.624,946 6.456,948 51.201,949 617.092,950 48.5,953 -3.602,954 37.603,955 1.931,957 0.307,960 69.821,961 79.268,962 0.259,963 0.578,964 0.77,965 0.857,966 0.894,967 0.894,968 5.192,969 1.809,970 6.159,971 5.697,972 4.745,973 5.196,974 1.641,975 7.034,976 4.672,977 6.419,978 1.669,979 7.766,980 5.399,981 4.511,982 5.316,983 0.57,984 8.214,985 4.372,986 7.774,987 1.527,988 9.482,989 5.1,990 6.441,991 7.477,992 1.488,993 11.273,994 6.283,995 9.172,996 1.37,997 11.264,998 4.475,999 7.031,1000 8.443,1001 0.479,1002 13.282,1003 6.804,1004 10.609,1005 1.281,1006 13.09,1007 3.117,1008 8.472,1009 10.16,1010 1.47,1011 15.924,1012 8.223,1013 12.074,1014 1,1015 14.947,1016 2.906,1017 9.413,1018 11.458,1019 0.346,1020 18.234,1021 9.102,1022 13.56,1023 0.844,1024 16.827,1025 2.275,1026 10.685,1027 13.037,1028 1.501,1029 20.757,1030 10.343,1031 3.397,1032 0.673,1033 18.725,1034 2.202,1035 11.774,1036 14.465,1037 0.237,1038 23.174,1039 11.376,1040 3.224,1041 12.389,1042 20.636,1043 1.671,1044 12.987,1045 15.999,1046 1.556,1047 25.664,1048 12.553,1049 3.095,1050 11.195,1051 22.557,1052 4.71,1053 14.137,1054 17.479,1055 0.158,1056 28.122,1057 13.651,1058 2.618,1059 10.8,1060 24.487,1061 4.294,1062 15.334,1063 19.002,1064 1.626,1065 30.605,1066 14.806,1067 2.282,1068 7.277,1069 26.424,1070 4.029,1071 16.509,1072 20.506,1073 0.104,1074 33.08,1075 15.932,1076 2.136,1077 7.152,1078 28.366,1079 3.084,1080 17.702,1081 22.027,1082 1.706,1083 35.565,1084 17.081,1085 2.079,1086 6.552,1087 30.312,1088 2.66,1089 18.889,1090 23.543,1091 0.068,1092 38.049,1093 18.219,1094 17032,1095 26347,1096 25.948,1097 45.461,1098 59.259,1099 61.141,1100 61.442,1101 59.064,1102 59.026,1103 72.683,1104 5.317,1105 178.049,1106 56.977,1107 5.855,1108 6.684,1109 6.975,1110 5.397,1111 5.397,1112 7.71,1113 2.117,1114 19.645,1115 5.224,1116 18.109,1117 1.519,1118 1.568,1119 1.575,1120 1.514,1121 1.513,1122 1.864,1123 0.136,1124 4.565,1125 1.461,1126 4.143,1127 4.162,1128 4.735,1129 4.1,1130 7.717,1131 4.059,1132 4.036,1133 4.045,1134 4.049,1135 3.967,1136 7.429,1137 3.941,1138 3.849,1139 3.927,1140 3.864,1141 3.707,1142 6.999,1143 3.659,1144 3.798,1145 3.791,1146 3.726,1147 3.646,1148 4.831,1149 3.646,1150 3.576,1151 3.644,1152 3.426,1153 3.447,1154 4.683,1155 3.428,1156 3.45,1157 3.522,1158 3.331,1159 3.297,1160 4.405,1161 3.284,1162 3.312,1163 3.368,1164 3.217,1165 3.133,1166 4.151,1167 3.136,1168 3.167,1169 3.271,1170 2.97,1171 2.941,1172 4.09,1173 2.928,1174 0.124,1175 0.12,1176 0.187,1177 0.111,1178 0.087,1179 4.855,1180 0.121,1181 4.684,1182 0.027,1183 7.294,1184 0.318,1185 4.329,1186 0.083,1187 3.397,1188 4.71,1189 1.058,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.059,1195 2.036,1196 1.412,1197 2.059,1198 1.874,1199 1.834,1200 2.014,1201 2.021,1202 1.339,1203 2.041,1204 1.8,1205 1.733,1206 1.97,1207 1.984,1208 1.212,1209 2.004,1210 1.709,1211 1.672,1212 1.872,1213 1.864,1214 1.175,1215 1.872,1216 1.535,1217 1.518,1218 1.692,1219 1.722,1220 0.889,1221 1.749,1222 1.481,1223 1.439,1224 1.652,1225 1.701,1226 0.825,1227 1.7,1228 1.271,1229 1.212,1230 1.543,1231 1.529,1232 0.764,1233 1.517,1234 1.181,1235 1.098,1236 1.513,1237 1.448,1238 0.705,1239 1.465,1240 4.369,1242 5.727,1243 3.045,1244 7.273,1245 5.533,1246 8.901,1247 7.719,1248 10.572,1250 3.568,1256 12.104,1257 5.242,1261 4.919,1267 42.34,1268 110.949,1269 247.815,1270 330.546,1271 367.54,1272 383.54,1273 383.54,1274 72.496,1275 8.548,1276 101.3,1277 109.68,1278 28,1279 12.976,1280 4,1281 3.392,1282 52.006,1283 153,1284 190,1285 0.16,1286 259.804,1287 456.16,1288 625.681,1289 71047,1291 24.579,1292 0.702,1293 0.612,1294 24.829,1295 21.431,1296 16.853,1297 0.432,1298 0.361,1299 12.564,1300 15.42,1301 12.118,1302 9.996,1303 17.674,1304 14.083,1305 15.813,1306 0.277,1307 0.206,1308 17.189,1309 11.744,1310 13.609,1311 0.177,1312 0.117,1313 14.748,1314 8.994,1315 10.901,1316 0.108,1317 0.062,1318 11.51,1319 6.232,1320 9.132,1321 0.07,1322 0.036,1323 9.667,1324 4.669,1325 0.251,1326 113.56,1327 0.196,1328 32.032,1329 0.443,1330 192,1331 500.356,1332 244.394,1333 504.682,1334 691.58,1335 468,1336 230,1337 484.275,1338 288.263,1339 528.117,1340 777.43,1341 496,1342 8}
{0 CHEMBL296185,1 1.619,2 12.235,3 3.144,4 9.883,5 133.922,6 7.344,7 0.289,8 4.291,9 4.407,10 3.97,11 3.835,12 5.241,13 3.789,14 4.902,15 5.077,16 4.284,17 4.27,18 6.013,19 4.202,20 5.158,21 5.371,22 4.302,23 4.429,24 6.14,25 4.322,26 5.225,27 5.455,28 4.205,29 4.427,30 6.197,31 4.3,32 5.185,33 5.432,34 4.219,35 4.375,36 6.099,37 4.245,38 5.17,39 5.41,40 4.272,41 4.364,42 6.121,43 4.256,44 5.171,45 5.398,46 4.28,47 4.377,48 6.266,49 4.28,50 5.189,51 5.401,52 4.28,53 4.425,54 6.179,55 4.309,56 0.099,57 1.01,58 17.768,59 6.578,60 15.232,61 8.49,62 0.496,63 1.66,64 31.487,65 11.427,66 63.094,67 15.176,68 0.446,69 2.012,70 44.429,71 15.555,72 55.404,73 20.514,74 0.489,75 2.065,76 44.542,77 15.733,78 74.542,79 21.585,80 0.448,81 1.97,82 43.416,83 15.484,84 55.906,85 21.609,86 0.501,87 1.967,88 43.947,89 15.153,90 58.631,91 20.92,92 0.686,93 1.969,94 41.914,95 14.216,96 113.048,97 20.074,98 0.534,99 2.084,100 42.607,101 14.817,102 63.847,103 20.222,104 19,105 55,106 0.256,107 0.588,108 0.78,109 0.84,110 0.86,111 0.86,112 3.561,113 1.072,114 -2.68,115 -2.7,116 -2.63,118 37.9,120 6,123 1,124 5,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 3,172 7,173 12,176 1,177 7,182 9,184 13,188 7,193 5,195 12,200 6,203 1,204 1,205 3,208 12,213 7,216 3,217 1,218 4,221 9,224 2,225 7,228 1,230 4,233 8,237 7,240 2,241 1,242 3,245 7,248 1,249 7,252 2,254 2,257 5,260 2210,261 23.118,262 23.118,263 23.118,264 23.118,265 23.118,266 21.272,267 27.047,268 13.42,269 23.626,270 18.692,271 18.692,272 18.692,273 18.692,274 18.692,275 15.47,276 27.332,277 6.297,278 19.506,279 4.426,280 2.331,281 1.122,282 0.739,283 0.617,284 0.617,285 4.267,289 1,290 909,291 4,293 140.17,294 281.171,297 267.281,301 1.806,302 40.828,305 1,306 0.83,307 1,308 1,309 0.5,310 1,311 1,312 0.9,313 74,314 416,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 1.058,322 12.389,323 3.224,324 4.589,325 3.654,326 6.786,327 4.202,328 3.224,329 4.294,330 0.86,331 11.195,332 3.114,333 4.44,334 3.37,335 6.683,336 4.078,337 3.095,338 4.029,339 0.8,340 10.8,341 2.99,342 3.687,343 2.885,344 5.615,345 3.438,346 2.521,347 3.084,349 7.275,350 2.313,351 3.525,352 2.742,353 5.43,354 3.272,355 2.28,356 2.657,358 6.966,359 2.257,360 3.426,361 2.464,362 5.339,363 3.111,364 2.106,365 2.519,367 6.55,368 2.11,369 3.142,370 2.175,371 4.908,372 2.797,373 1.821,374 2.31,376 5.402,377 1.772,378 3.036,379 2.088,380 4.84,381 2.641,382 1.673,383 2.183,385 5.101,386 1.616,387 2.955,388 1.837,389 4.685,390 2.529,391 1.549,392 2.079,394 4.475,395 1.521,396 2.573,397 1.783,398 3.871,399 2.458,400 1.527,401 1.573,403 3.319,404 1.41,405 2.512,406 1.492,407 3.67,408 2.364,409 1.37,410 1.484,411 3.032,412 1.362,413 2.362,414 1.37,415 3.594,416 2.154,417 1.208,418 1.274,419 2.79,420 1.128,421 2.196,422 1.256,423 3.547,424 1.952,425 1,426 1.134,427 2.169,428 0.946,429 2,430 0.977,431 3.247,432 1.821,433 0.831,434 1,435 2.136,436 0.82,437 1.748,438 0.898,439 3.214,440 1.616,441 0.645,442 0.698,443 1.58,444 0.624,445 16.267,446 0.478,447 0.885,448 0.026,449 38.75,450 1.14,451 16.5,452 0.485,453 22.25,454 0.654,455 35.666,456 1.049,457 38.333,458 0.581,459 31.313,460 0.921,461 7.049,462 0.207,463 9.41,464 0.277,465 0.092,466 0.051,467 0.301,471 0.652,472 1.408,473 0.85,474 1.253,475 0.599,476 1.022,477 0.822,478 1.066,479 0.893,480 0.94,481 0.515,482 0.941,483 0.902,484 1.059,485 1.074,486 1.081,487 0.736,488 1.006,489 0.99,490 1.039,491 0.966,492 0.991,493 1.079,494 1.08,495 0.696,496 1,497 0.763,498 0.933,499 0.734,500 0.967,501 0.667,502 1.018,503 0.791,504 0.976,505 0.71,506 0.935,507 0.825,508 0.989,509 0.775,510 0.858,511 0.802,512 0.925,513 0.959,514 1.125,515 1.053,516 1.084,517 0.969,518 1.17,519 7,520 0.251,521 4.444,522 2.903,523 1.387,524 1.331,525 1.092,526 0.651,527 0.383,528 0.403,529 16628,530 41887,531 2.12,532 48.5,533 8,534 17,537 3,538 2,539 2,542 1.765,543 1.99,544 3.55,545 0.84,550 106.834,551 1.619,552 3.713,553 4.923,554 5.306,555 5.427,556 5.427,557 3.017,558 4.558,559 5.057,560 3.728,561 2091.53,562 8.898,563 31613.5,568 398.93,569 1.501,570 5.017,571 0.184,572 0.007,573 0.081,574 0.052,575 0.028,576 0.027,577 0.021,578 0.012,579 0.008,580 0.009,581 0.429,582 0.33,583 0.75,584 0.812,585 180.912,586 0.044,587 -0.127,588 0.192,589 -0.047,590 -0.084,591 0.039,592 0.11,593 0.074,594 0.044,595 0.085,596 0.202,597 0.054,598 -0.053,599 -0.004,600 -0.057,601 -0.019,602 0.05,603 0.01,604 -0.123,605 -0.038,606 -0.098,607 -0.046,608 -0.073,609 -0.089,610 0.054,611 -0.033,612 0.109,613 0.02,614 0.023,615 0.042,616 0.122,617 -0.023,618 0.122,619 -0.006,620 0.061,621 0.068,622 0.095,623 0.012,624 0.07,625 0.059,626 0.168,627 0.055,628 -0.067,629 -0.051,630 -0.152,631 -0.123,632 -0.064,633 -0.192,634 4.521,635 5.864,636 0.706,637 36.412,638 1.002,639 1.13,640 1.453,641 2.113,642 0.654,643 3.664,644 4.025,645 4.331,646 4.605,647 4.844,648 4.977,649 5.198,650 5.375,651 5.434,652 5.568,653 7.241,654 0.614,655 484.68,656 3.664,657 5.231,658 6.103,659 7.002,660 7.894,661 8.801,662 9.702,663 10.613,664 11.52,665 12.435,666 6.1,668 1,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 66,706 15,707 1,708 38,710 70,711 25,712 10,713 3,714 3,715 3,717 5,718 7,724 4,727 6,729 13,730 12,733 4,736 1,737 3,738 1,740 2,747 32,748 7,749 3,750 9,751 1,755 4,760 0.6,761 4,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 1,802 1,803 3,805 1,807 1,811 34,815 1,817 11,818 2,819 1,822 1,833 6.1,836 3,837 1,841 17.083,842 11.867,843 7.375,844 4.258,847 3.059,848 1.361,849 1.016,850 6.85,851 11.527,852 3.882,853 4.486,854 5.035,855 5.578,856 6.085,857 6.494,858 6.943,859 7.343,860 7.628,861 8,862 1,863 56,864 12.926,865 5.877,866 7.748,867 24.806,868 21.514,869 2.248,870 76.417,874 341.362,875 110.086,876 54.326,878 80.458,880 5.807,881 104.278,882 421.82,883 54.326,884 8.396,885 48.72,886 60.117,887 85.162,888 36.96,889 5.513,890 341.362,892 341.362,893 158.604,894 80.458,895 5.807,897 317.82,898 93,899 11,900 85.035,901 64.093,902 15.284,904 341.362,905 134.783,906 110.086,908 5.807,909 341.362,910 57.977,911 49.426,912 51.201,913 80.458,914 341.362,915 134.783,916 110.086,918 0.588,919 0.351,920 0.184,921 0.099,922 28,923 12,924 0.1,925 7,926 2,927 1.167,928 4.428,929 332.592,930 0.167,931 24,932 166.974,935 1,936 23.617,937 9.861,938 4.856,940 117.998,941 4.741,943 3.604,946 6.372,948 51.201,949 586.231,950 47.5,953 -3.604,954 37.522,955 1.916,957 0.289,960 66.163,961 74.564,962 0.268,963 0.614,964 0.814,965 0.878,966 0.898,967 0.898,968 5.163,969 1.673,970 6.12,971 5.402,972 4.71,973 5.173,974 1.737,975 6.997,976 4.634,977 6.387,978 1.549,979 7.725,980 5.101,981 4.443,982 5.286,983 0.325,984 8.184,985 4.316,986 7.743,987 1.527,988 9.443,989 4.475,990 6.402,991 7.463,992 1.622,993 11.252,994 6.245,995 9.143,996 1.37,997 11.229,998 3.319,999 6.986,1000 8.432,1001 0.268,1002 13.272,1003 6.769,1004 10.585,1005 1.208,1006 13.061,1007 3.032,1008 8.44,1009 10.154,1010 1.587,1011 15.916,1012 8.195,1013 12.054,1014 1,1015 14.923,1016 2.79,1017 9.384,1018 11.455,1019 0.188,1020 18.23,1021 9.08,1022 13.543,1023 0.831,1024 16.809,1025 2.169,1026 10.662,1027 13.035,1028 1.592,1029 20.754,1030 10.324,1031 3.397,1032 0.645,1033 18.71,1034 2.136,1035 11.755,1036 14.463,1037 0.125,1038 23.173,1039 11.363,1040 3.224,1041 12.389,1042 20.624,1043 1.58,1044 12.972,1045 15.998,1046 1.624,1047 25.663,1048 12.541,1049 3.095,1050 11.195,1051 22.549,1052 4.71,1053 14.125,1054 17.479,1055 0.082,1056 28.121,1057 13.643,1058 2.521,1059 10.8,1060 24.48,1061 4.294,1062 15.324,1063 19.002,1064 1.676,1065 30.605,1066 14.799,1067 2.28,1068 7.275,1069 26.419,1070 4.029,1071 16.501,1072 20.505,1073 0.054,1074 33.08,1075 15.927,1076 2.106,1077 6.966,1078 28.362,1079 3.084,1080 17.696,1081 22.027,1082 1.742,1083 35.565,1084 17.076,1085 1.821,1086 6.55,1087 30.31,1088 2.657,1089 18.884,1090 23.543,1091 0.035,1092 38.049,1093 18.216,1094 15616,1095 25062,1096 25.542,1097 43.148,1098 57.541,1099 59.81,1100 59.245,1101 57.397,1102 57.402,1103 71.067,1104 5.437,1105 171.761,1106 55.258,1107 5.855,1108 6.684,1109 7.096,1110 5.433,1111 5.397,1112 7.71,1113 2.117,1114 19.645,1115 5.224,1116 15.628,1117 1.514,1118 1.574,1119 1.559,1120 1.51,1121 1.511,1122 1.87,1123 0.143,1124 4.52,1125 1.454,1126 4.143,1127 4.16,1128 4.735,1129 4.1,1130 7.717,1131 4.059,1132 4.036,1133 4.045,1134 4.048,1135 3.967,1136 7.429,1137 3.941,1138 3.812,1139 3.873,1140 3.864,1141 3.707,1142 6.999,1143 3.651,1144 3.796,1145 3.791,1146 3.685,1147 3.6,1148 4.831,1149 3.609,1150 3.56,1151 3.621,1152 3.418,1153 3.43,1154 4.683,1155 3.413,1156 3.422,1157 3.486,1158 3.306,1159 3.272,1160 4.625,1161 3.259,1162 3.304,1163 3.361,1164 3.194,1165 3.119,1166 4.151,1167 3.122,1168 3.111,1169 3.206,1170 2.908,1171 2.941,1172 4.092,1173 2.91,1174 0.128,1175 0.123,1176 0.192,1177 0.114,1178 0.089,1179 4.855,1180 0.124,1181 4.684,1182 0.028,1183 7.294,1184 0.326,1185 4.329,1186 0.085,1187 3.397,1188 4.71,1189 1.058,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.056,1195 2.023,1196 1.411,1197 2.059,1198 1.873,1199 1.833,1200 1.989,1201 2.007,1202 1.305,1203 2.022,1204 1.771,1205 1.718,1206 1.963,1207 1.976,1208 1.204,1209 1.985,1210 1.685,1211 1.649,1212 1.84,1213 1.851,1214 1.131,1215 1.853,1216 1.52,1217 1.51,1218 1.677,1219 1.718,1220 0.877,1221 1.742,1222 1.466,1223 1.423,1224 1.65,1225 1.677,1226 0.825,1227 1.679,1228 1.245,1229 1.189,1230 1.513,1231 1.51,1232 0.762,1233 1.487,1234 1.153,1235 1.068,1236 1.466,1237 1.376,1238 0.694,1239 1.429,1240 4.344,1242 5.694,1243 3.045,1244 7.238,1245 5.533,1246 8.865,1247 7.719,1248 10.537,1250 1.384,1256 11.058,1257 5.223,1258 5.461,1261 2.45,1267 40.507,1268 106.834,1269 245.059,1270 324.891,1271 350.175,1272 358.175,1273 358.175,1274 70.108,1275 8.468,1276 107.29,1277 115.67,1278 28,1279 12.949,1280 4,1281 3.392,1282 49.757,1283 144,1284 165,1285 0.164,1286 247.413,1287 436.65,1288 595.449,1289 63986,1291 23.709,1292 0.697,1293 0.6,1294 23.959,1295 20.393,1296 16.459,1297 0.433,1298 0.357,1299 12.058,1300 14.994,1301 11.69,1302 9.588,1303 17.28,1304 13.581,1305 15.192,1306 0.276,1307 0.201,1308 16.567,1309 11.053,1310 13.198,1311 0.176,1312 0.113,1313 14.337,1314 8.501,1315 10.759,1316 0.109,1317 0.06,1318 11.368,1319 5.986,1320 8.848,1321 0.07,1322 0.034,1323 9.383,1324 4.343,1325 0.255,1326 111.5,1327 0.198,1328 31.215,1329 0.456,1330 186,1331 518.446,1332 239.524,1333 514.042,1334 701.14,1335 478,1336 223,1337 485.151,1338 281.812,1339 525.288,1340 775.86,1341 495,1342 7.523}
{0 CHEMBL296468,1 1.706,2 11.8,3 2.284,4 5.216,5 101.699,6 7.767,7 0.37,8 3.979,9 4.1,10 3.665,11 3.55,12 4.99,13 3.47,14 4.551,15 4.736,16 4.127,17 3.973,18 5.51,19 3.851,20 4.782,21 4.99,22 3.999,23 4.025,24 5.719,25 3.878,26 4.895,27 5.161,28 3.92,29 3.959,30 5.827,31 3.792,32 4.614,33 4.87,34 3.825,35 3.766,36 5.612,37 3.614,38 4.288,39 4.455,40 3.875,41 3.739,42 5.319,43 3.56,44 4.388,45 4.617,46 3.622,47 3.732,48 5.218,49 3.493,50 4.129,51 4.299,52 3.55,53 3.559,54 5.096,55 3.378,56 0.023,57 0.759,58 11.51,59 5.054,60 7.549,61 6.286,62 0.278,63 1.247,64 28.591,65 9.346,66 26.577,67 11.26,68 0.297,69 1.401,70 33.279,71 10.879,72 34.528,73 13.753,74 0.565,75 1.39,76 39.808,77 11.762,78 59.771,79 14.875,80 0.453,81 1.155,82 31.374,83 8.604,84 47.285,85 10.791,86 0.28,87 0.985,88 24.271,89 7.881,90 25.889,91 8.452,92 0.298,93 1.03,94 34.79,95 10.196,96 21.236,97 10.966,98 0.13,99 0.81,100 20.114,101 6.957,102 17.688,103 7.67,104 18,105 38,106 0.292,107 0.602,108 0.762,109 0.769,110 0.769,111 0.769,112 3.266,113 1.141,114 -3.55,115 -3.52,116 -3.36,118 34.7,119 3,120 2,121 1,122 1,124 3,141 2,148 1,149 1,151 1,154 1,155 1,163 5,166 1,167 3,170 2,172 4,173 5,177 9,182 3,187 1,188 5,193 1,195 1,200 4,203 1,204 1,208 3,212 2,213 1,221 4,228 3,230 1,233 3,237 1,245 3,248 2,249 5,254 2,260 932,261 16.419,262 16.419,263 16.419,264 16.419,265 16.419,266 15.14,267 26.932,268 9.68,269 17.048,270 13.351,271 13.351,272 13.351,273 13.351,274 13.351,275 11.287,276 36.798,277 4.651,278 14.413,279 3.909,280 2.106,281 1.169,282 1.128,283 1.128,284 1.128,285 3.941,287 1,288 1,289 1,290 625,291 3.808,293 156.977,294 94.674,301 2,302 23.413,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 54,314 295,315 4.469,316 4.438,317 7.118,318 4.324,319 3.327,320 3.913,321 3.272,322 11.698,323 3.319,324 4.158,325 3.714,326 6.056,327 3.826,328 2.864,329 3.744,330 1.907,331 8.732,332 2.803,333 3.901,334 3.55,335 5.63,336 3.537,337 2.662,338 3.093,339 0.4,340 7.783,341 2.377,342 3.764,343 3.025,344 5.4,345 3.41,346 2.465,347 3.018,348 0.149,349 7.151,350 2.214,351 3.209,352 2.474,353 4.909,354 2.885,355 1.995,356 2.362,358 5.721,359 1.779,360 2.876,361 2.279,362 4.427,363 2.595,364 1.672,365 1.879,367 4.185,368 1.505,369 2.727,370 2.14,371 4.159,372 2.39,373 1.423,374 1.782,376 3.835,377 1.365,378 2.242,379 1.609,380 3.45,381 1.995,382 1.036,383 1.167,385 2.476,386 0.983,387 2.17,388 1.358,389 3.302,390 1.984,391 1,392 1.043,394 2.136,395 0.98,396 2.159,397 1.077,398 3.273,399 1.65,400 0.756,401 1.014,403 1.811,404 0.666,405 2,406 0.946,407 3.247,408 1.604,409 0.692,410 1,411 1.686,412 0.625,413 1.691,414 0.695,415 3.103,416 1.255,417 0.447,418 0.545,419 1.109,420 0.352,421 0.997,422 0.454,423 2.645,424 0.58,425 -0.353,426 -0.42,427 -0.95,428 -0.318,429 0.447,430 0.164,431 2.528,432 0.262,433 -0.75,434 -0.824,435 -1.619,436 -0.688,437 0.372,438 -0.323,439 2.123,440 0.108,441 -0.805,442 -0.972,443 -2.339,444 -0.78,445 12.433,446 0.497,447 0.757,448 0.03,449 26.75,450 1.07,451 10.5,452 0.42,453 16.25,454 0.65,455 26.424,456 1.057,457 28.367,458 0.579,459 15.677,460 0.627,461 4.316,462 0.173,463 7.599,464 0.304,465 0.147,466 0.04,467 0.241,471 0.826,472 1.328,473 0.768,474 0.982,475 0.633,476 1.001,477 0.701,478 1.057,479 0.796,480 0.945,481 0.553,482 0.906,483 1.139,484 1.232,485 1.001,486 1.159,487 1.094,488 1.179,489 1.356,490 0.855,491 0.806,492 0.76,493 1.358,494 0.808,495 1.229,496 0.814,497 0.973,498 0.834,499 1.538,500 0.797,501 1.19,502 1.113,503 1.51,504 1.302,505 1.169,506 1.121,507 0.535,508 1.121,509 1.958,510 1.724,511 0.462,512 1.129,513 1.131,514 1.318,515 1.527,516 1.428,517 1.198,518 1.238,519 6.5,520 0.09,521 2.667,522 1.507,523 1.296,524 0.511,525 0.375,526 0.293,527 0.185,528 0.2,529 8015,530 19920,531 2.028,532 49,533 9,534 6,536 2,537 2,538 1,539 4,542 1.672,543 1.887,544 3.515,545 0.352,546 1,547 1,550 83.595,551 1.706,552 3.509,553 4.446,554 4.486,555 4.486,556 4.486,557 2.953,558 4.134,559 4.617,560 3.731,561 1119.21,562 7.942,563 14422.1,565 1,567 1,568 275.121,569 1.571,570 4.56,571 0.241,572 0.006,573 0.07,574 0.047,575 0.045,576 0.02,577 0.015,578 0.013,579 0.009,580 0.011,581 0.477,582 0.33,583 1,584 0.795,585 124.003,586 -0.047,587 -0.12,588 0.077,589 0.031,590 -0.025,591 0.02,592 0.184,593 0.059,594 0.209,595 0.107,596 0.134,597 0.101,598 -0.083,599 -0.227,600 -0.066,601 -0.185,602 -0.089,603 -0.198,604 -0.067,605 0.013,606 0.123,607 0.137,608 -0.038,609 0.135,610 -0.041,611 0.192,612 0.084,613 0.138,614 -0.063,615 0.139,616 -0.078,617 0.123,618 -0.07,619 0.039,620 -0.112,621 -0.088,622 0.13,623 0.03,624 -0.26,625 -0.191,626 0.062,627 -0.007,628 -0.183,629 -0.162,630 -0.2,631 -0.128,632 -0.136,633 -0.177,634 1.588,635 5.249,636 0.64,637 24.531,638 1.001,639 1.131,640 2.316,641 5.362,642 0.67,643 3.332,644 3.664,645 3.829,646 4.007,647 4.078,648 4.078,649 4.078,650 4.174,651 4.248,652 4.317,653 7.128,654 0.615,655 380.59,656 3.332,657 4.875,658 5.694,659 6.561,660 7.397,661 8.262,662 9.104,663 9.968,664 10.814,665 11.676,666 8.2,668 1,673 1,676 2,681 2,682 2,684 1,685 1,686 4,688 10,705 49,706 11,708 27,710 51,711 17,712 6,717 3,718 3,721 3,722 1,724 2,725 1,727 2,729 7,730 10,731 1,733 1,737 1,740 1,743 1,744 1,747 24,748 6,749 2,750 8,751 2,755 4,760 1,761 2,765 1,778 2,779 1,790 1,799 1,803 3,804 1,805 2,807 3,811 25,817 5,818 2,820 1,821 1,823 1,827 1,833 4.1,836 1,838 1,841 13.25,842 9.567,843 5.361,844 2.963,847 1.801,848 1.259,849 0.938,850 6.182,851 8.746,852 3.526,853 4.052,854 4.486,855 4.95,856 5.048,857 5.236,858 5.361,859 5.659,860 5.968,861 6.285,862 0.875,863 32,864 9.286,865 3.894,866 7.643,867 18.061,868 14.9,869 2.143,870 53.583,874 258.964,875 133.922,876 69.593,878 34.652,880 63.497,881 70.425,882 293.617,883 69.593,884 26.476,885 28.191,886 18.011,887 91.983,888 28.103,889 5.449,890 298.919,892 258.964,893 140.017,894 34.652,895 63.497,897 211.88,898 81.737,900 96.293,901 10.153,902 33.571,903 63.497,904 258.964,905 104.245,906 133.922,909 258.964,910 89.352,911 44.57,912 36.022,913 68.223,914 258.964,915 104.245,916 133.922,918 0.59,919 0.321,920 0.158,921 0.079,922 18,923 8,924 0.118,925 6,927 1,928 3.82,929 192.522,931 16,932 107.342,933 2,936 18.869,937 8.191,938 5.284,940 104.245,941 3.591,942 8.642,944 5.797,945 1.492,946 3.302,948 36.022,949 497.131,950 33,954 12.249,957 0.079,960 49.051,961 55.404,962 0.304,963 0.625,964 0.792,965 0.799,966 0.799,967 0.799,968 4.783,969 1.036,970 5.714,971 3.835,972 4.344,973 4.736,974 3.36,975 6.518,976 4.218,977 5.978,978 1,979 7.28,980 2.476,981 4.111,982 4.575,983 1.593,984 7.644,985 4.011,986 7.285,987 0.756,988 8.959,989 2.136,990 5.994,991 6.808,992 5.512,993 10.597,994 5.803,995 8.625,996 0.692,997 10.709,998 1.811,999 6.567,1000 7.459,1001 3.032,1002 12.55,1003 6.426,1004 9.999,1005 0.447,1006 12.506,1007 1.686,1008 7.971,1009 9.173,1010 7.829,1011 15.115,1012 7.776,1013 11.393,1014 -0.353,1015 14.337,1016 1.109,1017 8.879,1018 10.182,1019 4.409,1020 17.376,1021 8.731,1022 12.803,1023 -0.75,1024 16.193,1025 -0.95,1026 10.122,1027 11.686,1028 10.185,1029 19.847,1030 9.95,1031 3.327,1032 -0.805,1033 18.069,1034 -1.619,1035 11.177,1036 12.866,1037 5.75,1038 22.226,1039 11.039,1040 2.864,1041 11.698,1042 19.961,1043 -2.339,1044 12.366,1045 14.279,1046 12.551,1047 24.679,1048 12.223,1049 2.662,1050 8.732,1051 21.866,1052 3.913,1053 13.489,1054 15.543,1055 7.068,1056 27.104,1057 13.367,1058 2.465,1059 7.783,1060 23.781,1061 3.744,1062 14.666,1063 16.917,1064 14.92,1065 29.556,1066 14.546,1067 1.995,1068 7.151,1069 25.704,1070 3.093,1071 15.821,1072 18.223,1073 8.374,1074 32,1075 15.715,1076 1.672,1077 5.721,1078 27.634,1079 3.018,1080 16.999,1081 19.581,1082 17.291,1083 34.454,1084 16.898,1085 1.423,1086 4.185,1087 29.57,1088 2.362,1089 18.171,1090 20.908,1091 9.674,1092 36.907,1093 18.079,1094 7787,1095 12486,1096 17.682,1097 32.841,1098 41.398,1099 44.023,1100 40.594,1101 40.509,1102 40.678,1103 49.121,1104 11.457,1105 116.645,1106 37.934,1107 5.469,1108 6.331,1109 6.92,1110 5.526,1111 5.327,1112 6.55,1113 6.545,1114 18.723,1115 5.255,1116 13.074,1117 1.533,1118 1.63,1119 1.503,1120 1.5,1121 1.507,1122 1.819,1123 0.424,1124 4.32,1125 1.405,1126 3.964,1127 3.99,1128 4.312,1129 3.884,1130 7.428,1131 3.831,1132 3.886,1133 3.93,1134 3.906,1135 3.753,1136 5.134,1137 3.747,1138 3.764,1139 3.794,1140 3.749,1141 3.699,1142 4.83,1143 3.664,1144 3.535,1145 3.595,1146 3.532,1147 3.378,1148 4.361,1149 3.366,1150 3.314,1151 3.363,1152 3.293,1153 3.065,1154 4.238,1155 3.085,1156 3.111,1157 3.206,1158 3.179,1159 2.941,1160 3.819,1161 2.91,1162 3.004,1163 3.067,1164 2.866,1165 2.914,1166 3.794,1167 2.849,1168 2.874,1169 3.009,1170 2.604,1171 2.618,1172 3.605,1173 2.57,1174 0.166,1175 0.164,1176 0.264,1177 0.16,1178 0.123,1179 4.469,1180 0.145,1181 4.438,1182 0.121,1183 7.118,1184 0.433,1185 4.324,1186 0.123,1187 3.327,1188 3.913,1189 3.272,1190 11.698,1191 3.319,1192 1.836,1193 1.783,1194 2.039,1195 2.019,1196 1.39,1197 2.029,1198 1.774,1199 1.732,1200 1.988,1201 1.925,1202 1.203,1203 1.946,1204 1.509,1205 1.505,1206 1.565,1207 1.655,1208 0.892,1209 1.66,1210 1.364,1211 1.316,1212 1.513,1213 1.637,1214 0.825,1215 1.607,1216 1.246,1217 1.213,1218 1.477,1219 1.411,1220 0.614,1221 1.429,1222 1.153,1223 1.064,1224 1.417,1225 1.376,1226 0.493,1227 1.411,1228 1.109,1229 1.062,1230 1.417,1231 1.353,1232 0.469,1233 1.343,1234 1.034,1235 0.988,1236 1.356,1237 1.239,1238 0.469,1239 1.308,1240 4.007,1242 5.333,1243 3.045,1244 6.817,1245 5.283,1246 8.367,1247 7.273,1248 9.953,1250 6.306,1256 4.242,1257 6.212,1259 1.619,1260 0.087,1262 -0.035,1267 30.157,1268 83.595,1269 171.927,1270 217.837,1271 219.837,1272 219.837,1273 219.837,1274 47.806,1275 6.945,1276 80.05,1277 133.59,1278 16,1279 12.228,1280 3.585,1281 2.807,1282 42.16,1283 108,1284 90,1285 0.189,1286 194.455,1287 329.18,1288 466.229,1289 9880,1291 17.864,1292 0.715,1293 0.657,1294 18.571,1295 16.428,1296 11.915,1297 0.441,1298 0.38,1299 8.514,1300 10.638,1301 8.023,1302 6.704,1303 12.777,1304 10.272,1305 11.476,1306 0.302,1307 0.249,1308 12.82,1309 9.461,1310 8.559,1311 0.19,1312 0.137,1313 10.051,1314 6.147,1315 6.671,1316 0.124,1317 0.079,1318 8.233,1319 4.261,1320 4.753,1321 0.082,1322 0.05,1323 6.206,1324 2.923,1325 0.307,1326 83.323,1327 0.238,1328 24.931,1329 0.49,1330 130,1331 373.148,1332 198.068,1333 396.987,1334 537,1335 372,1336 148,1337 362.019,1338 201.5,1339 392.607,1340 572.45,1341 366,1342 5}
{0 CHEMBL298566,1 1.548,2 12.886,3 3.658,4 13.38,5 140.02,6 7.11,7 0.282,8 4.335,9 4.451,10 3.976,11 3.91,12 5.275,13 3.846,14 4.95,15 5.125,16 4.31,17 4.356,18 6.009,19 4.27,20 5.267,21 5.489,22 4.342,23 4.509,24 6.251,25 4.392,26 5.315,27 5.552,28 4.232,29 4.49,30 6.283,31 4.353,32 5.235,33 5.489,34 4.234,35 4.431,36 6.121,37 4.289,38 5.219,39 5.461,40 4.286,41 4.422,42 6.157,43 4.304,44 5.229,45 5.461,46 4.297,47 4.437,48 6.295,49 4.329,50 5.255,51 5.474,52 4.293,53 4.479,54 6.237,55 4.355,56 0.098,57 1.034,58 18.935,59 7.523,60 17.719,61 9.539,62 0.309,63 1.755,64 33.926,65 13.113,66 54.935,67 17.338,68 0.425,69 2.197,70 49.73,71 17.452,72 72.779,73 23.166,74 0.59,75 2.217,76 49.548,77 17.358,78 89.213,79 23.836,80 0.397,81 2.08,82 45.633,83 16.704,84 56.347,85 23.401,86 0.46,87 2.065,88 46.053,89 16.267,90 62.695,91 22.474,92 0.609,93 2.085,94 44.643,95 15.533,96 114.411,97 21.918,98 0.557,99 2.198,100 46.493,101 15.988,102 74.307,103 21.984,104 28,105 57,106 0.243,107 0.57,108 0.762,109 0.834,110 0.864,111 0.864,112 3.589,113 1.118,114 -3.84,115 -3.8,116 -3.61,118 38.6,119 1,120 8,124 4,126 1,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 4,170 1,172 9,173 13,177 9,182 7,184 13,188 7,191 1,193 3,195 16,200 5,203 1,204 1,205 2,208 16,213 6,216 3,218 4,221 12,224 2,225 6,230 6,233 11,237 7,240 2,242 5,245 11,248 1,249 5,252 1,254 2,257 12,260 2437,261 23.565,262 23.565,263 23.565,264 23.565,265 23.565,266 21.72,267 29.287,268 13.506,269 24.231,270 19.158,271 19.158,272 19.158,273 19.158,274 19.158,275 15.936,276 31.874,277 6.332,278 20.07,279 4.581,280 2.493,281 1.264,282 0.804,283 0.611,284 0.611,285 4.293,289 1,290 982,291 4.062,293 146.271,294 292.5,297 278.565,301 1.953,302 45.01,305 1,306 0.83,307 1,308 1,309 1,310 1,311 1,312 0.98,313 75.5,314 451,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.215,324 4.589,325 3.657,326 6.786,327 4.19,328 3.224,329 4.294,330 1.058,331 11.195,332 3.095,333 4.44,334 3.37,335 6.683,336 4.065,337 3.095,338 4.029,339 0.8,340 10.8,341 2.821,342 3.687,343 2.902,344 5.615,345 3.557,346 2.618,347 3.084,349 7.277,350 2.455,351 3.619,352 2.889,353 5.433,354 3.272,355 2.282,356 2.66,358 7.152,359 2.253,360 3.431,361 2.587,362 5.409,363 3.12,364 2.136,365 2.613,367 6.552,368 2.109,369 3.16,370 2.475,371 4.911,372 3.033,373 2.079,374 2.313,376 5.697,377 1.958,378 3.095,379 2.418,380 4.886,381 2.783,382 1.809,383 2.19,385 5.399,386 1.754,387 3.031,388 2.094,389 4.839,390 2.634,391 1.669,392 2.105,394 5.1,395 1.606,396 2.952,397 1.835,398 4.685,399 2.516,400 1.527,401 2.071,403 4.475,404 1.494,405 2.519,406 1.506,407 3.859,408 2.365,409 1.37,410 1.489,411 3.117,412 1.362,413 2.371,414 1.371,415 3.613,416 2.269,417 1.281,418 1.325,419 2.906,420 1.264,421 2.271,422 1.097,423 3.579,424 1.984,425 1,426 1.168,427 2.275,428 0.983,429 2,430 1.077,431 3.414,432 1.838,433 0.844,434 1,435 2.202,436 0.836,437 1.777,438 0.996,439 3.279,440 1.649,441 0.673,442 0.731,443 1.671,444 0.655,445 16.867,446 0.482,447 0.991,448 0.028,449 38.75,450 1.107,451 16.5,452 0.471,453 22.25,454 0.636,455 39.565,456 1.13,457 39.533,458 0.565,459 30.551,460 0.873,461 6.532,462 0.187,463 10.321,464 0.295,465 0.109,466 0.049,467 0.32,471 0.654,472 1.291,473 0.894,474 1.177,475 0.655,476 1.02,477 0.678,478 1.185,479 0.945,480 1.086,481 0.541,482 1.024,483 1.013,484 1.055,485 1.069,486 1.055,487 0.878,488 0.992,489 1.1,490 0.983,491 0.979,492 0.937,493 1.06,494 1.038,495 0.619,496 0.989,497 0.75,498 0.923,499 0.643,500 0.952,501 0.685,502 1.03,503 0.808,504 0.973,505 0.703,506 0.938,507 0.849,508 1.017,509 0.79,510 0.879,511 0.789,512 0.938,513 1.072,514 1.096,515 1.063,516 1.024,517 0.98,518 1.116,519 8,520 0.312,521 4.889,522 2.965,523 1.578,524 1.386,525 1.133,526 0.675,527 0.416,528 0.47,529 18065,530 43060,531 2.099,532 50,533 8,534 13,537 3,538 2,539 5,540 4,542 1.771,543 1.953,544 3.61,545 0.792,550 108.388,551 1.548,552 3.637,553 4.865,554 5.326,555 5.518,556 5.518,557 3.106,558 4.786,559 5.098,560 3.793,561 2256.86,562 8.977,563 34973.9,568 429.05,569 1.566,570 5.051,571 0.205,572 0.008,573 0.086,574 0.051,575 0.032,576 0.028,577 0.021,578 0.012,579 0.008,580 0.01,581 0.461,582 0.33,583 0.75,584 0.841,585 188.43,586 0.024,587 -0.026,588 0.169,589 0.038,590 -0.09,591 0.066,592 0.104,593 -0.038,594 0.034,595 -0.006,596 0.151,597 0.01,598 -0.087,599 -0.012,600 -0.049,601 -0.018,602 0.006,603 0.012,604 -0.115,605 0.012,606 -0.093,607 -0.007,608 -0.077,609 -0.063,610 0.08,611 -0.01,612 0.121,613 0.027,614 0.034,615 0.052,616 0.111,617 -0.024,618 0.109,619 -0.004,620 0.043,621 0.061,622 0.079,623 -0.009,624 0.063,625 0.039,626 0.125,627 0.041,628 -0.099,629 -0.025,630 -0.142,631 -0.072,632 -0.076,633 -0.145,634 4.281,635 5.898,636 0.686,637 38.947,638 0.998,639 1.127,640 2.607,641 6.799,642 0.652,643 3.689,644 4.06,645 4.357,646 4.625,647 4.875,648 5.004,649 5.209,650 5.384,651 5.451,652 5.598,653 7.51,654 0.608,655 497.72,656 3.689,657 5.263,658 6.133,659 7.034,660 7.926,661 8.832,662 9.732,663 10.642,664 11.548,665 12.461,666 4.3,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 70,706 15,707 1,708 39,710 74,711 27,712 10,713 3,714 3,715 3,717 5,718 7,721 1,724 7,727 9,729 13,730 14,733 4,736 1,737 3,738 1,740 2,747 35,748 6,749 3,750 8,751 1,755 3,760 0.6,761 4,763 1,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 1,801 1,803 3,805 1,807 1,811 35,814 1,816 1,817 12,818 1,821 1,822 1,833 5.7,834 1,836 3,841 17.917,842 12.483,843 7.542,844 4.783,847 3.064,848 1.358,849 0.986,850 7.115,851 11.612,852 3.902,853 4.508,854 5.047,855 5.585,856 6.094,857 6.5,858 6.945,859 7.345,860 7.631,861 8.005,862 0.889,863 58,864 13.323,865 6.099,866 7.764,867 25.73,868 22.731,869 2.264,870 79.25,874 376.675,875 107.537,876 37.921,878 112.141,880 6.046,881 101.491,882 488.816,883 37.921,884 8.825,885 45.504,886 86.634,887 74.163,888 36.96,889 5.513,890 376.675,892 376.675,893 139.412,894 112.141,895 6.046,897 270.735,898 175.398,899 42.683,900 74.239,901 55.697,902 15.522,904 376.675,905 150.062,906 107.537,908 6.046,909 376.675,910 54.761,911 49.855,912 34.796,913 112.141,914 376.675,915 150.062,916 107.537,918 0.593,919 0.352,920 0.18,921 0.1,922 29,923 13,924 0.095,925 7,926 2,927 1.167,928 4.49,929 344.96,930 0.167,931 24,932 173.525,935 1,936 24.609,937 10.119,938 5.092,940 133.276,941 4.886,943 3.609,946 6.504,948 77.48,949 634.274,950 48.5,953 -3.365,954 37.802,955 1.925,957 0.314,960 69.829,961 78.896,962 0.253,963 0.593,964 0.794,965 0.869,966 0.9,967 0.9,968 5.192,969 1.809,970 6.159,971 5.697,972 4.745,973 5.196,974 3.073,975 7.034,976 4.66,977 6.419,978 1.669,979 7.766,980 5.399,981 4.511,982 5.316,983 0.325,984 8.214,985 4.322,986 7.774,987 1.527,988 9.482,989 5.1,990 6.441,991 7.477,992 5.046,993 11.273,994 6.249,995 9.172,996 1.37,997 11.264,998 4.475,999 7.031,1000 8.443,1001 0.268,1002 13.282,1003 6.726,1004 10.609,1005 1.281,1006 13.09,1007 3.117,1008 8.472,1009 10.16,1010 7.187,1011 15.924,1012 8.157,1013 12.074,1014 1,1015 14.947,1016 2.906,1017 9.413,1018 11.458,1019 0.188,1020 18.234,1021 9.001,1022 13.56,1023 0.844,1024 16.827,1025 2.275,1026 10.685,1027 13.037,1028 9.348,1029 20.757,1030 10.246,1031 3.397,1032 0.673,1033 18.725,1034 2.202,1035 11.774,1036 14.465,1037 0.125,1038 23.174,1039 11.257,1040 3.224,1041 12.389,1042 20.636,1043 1.671,1044 12.987,1045 15.999,1046 11.511,1047 25.664,1048 12.432,1049 3.095,1050 11.195,1051 22.557,1052 4.71,1053 14.137,1054 17.479,1055 0.082,1056 28.122,1057 13.516,1058 2.618,1059 10.8,1060 24.487,1061 4.294,1062 15.334,1063 19.002,1064 13.675,1065 30.605,1066 14.668,1067 2.282,1068 7.277,1069 26.424,1070 4.029,1071 16.509,1072 20.506,1073 0.054,1074 33.08,1075 15.785,1076 2.136,1077 7.152,1078 28.366,1079 3.084,1080 17.702,1081 22.027,1082 15.838,1083 35.565,1084 16.931,1085 2.079,1086 6.552,1087 30.312,1088 2.66,1089 18.889,1090 23.543,1091 0.035,1092 38.049,1093 18.064,1094 17032,1095 26553,1096 25.948,1097 45.665,1098 59.259,1099 62.294,1100 61.442,1101 59.157,1102 59.026,1103 72.683,1104 9.617,1105 178.049,1106 56.687,1107 5.855,1108 7.244,1109 6.975,1110 5.364,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.215,1116 18.109,1117 1.519,1118 1.597,1119 1.575,1120 1.517,1121 1.513,1122 1.864,1123 0.247,1124 4.565,1125 1.454,1126 4.15,1127 4.164,1128 4.741,1129 4.132,1130 7.714,1131 4.071,1132 4.043,1133 4.05,1134 4.049,1135 3.977,1136 7.429,1137 3.952,1138 3.86,1139 3.923,1140 3.864,1141 3.746,1142 6.999,1143 3.702,1144 3.817,1145 3.81,1146 3.735,1147 3.693,1148 6.449,1149 3.688,1150 3.577,1151 3.64,1152 3.427,1153 3.459,1154 4.83,1155 3.439,1156 3.453,1157 3.516,1158 3.332,1159 3.318,1160 4.682,1161 3.306,1162 3.326,1163 3.379,1164 3.217,1165 3.154,1166 4.281,1167 3.158,1168 3.118,1169 3.206,1170 2.958,1171 2.941,1172 4.106,1173 2.91,1174 0.124,1175 0.134,1176 0.187,1177 0.11,1178 0.087,1179 4.855,1180 0.121,1181 5.244,1182 0.076,1183 7.294,1184 0.318,1185 4.298,1186 0.082,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.215,1192 1.985,1193 2.002,1194 2.064,1195 2.035,1196 1.419,1197 2.077,1198 1.877,1199 1.836,1200 2.032,1201 2.026,1202 1.385,1203 2.044,1204 1.823,1205 1.765,1206 1.979,1207 1.984,1208 1.296,1209 2.005,1210 1.727,1211 1.703,1212 1.88,1213 1.865,1214 1.214,1215 1.876,1216 1.61,1217 1.585,1218 1.786,1219 1.75,1220 1.018,1221 1.788,1222 1.503,1223 1.455,1224 1.684,1225 1.696,1226 0.868,1227 1.698,1228 1.262,1229 1.211,1230 1.513,1231 1.52,1232 0.825,1233 1.494,1234 1.155,1235 1.086,1236 1.47,1237 1.383,1238 0.71,1239 1.429,1240 4.369,1242 5.727,1243 3.045,1244 7.273,1245 5.533,1246 8.901,1247 7.719,1248 10.572,1250 1.629,1255 9.771,1256 11.009,1257 2.892,1260 -0.158,1261 2.431,1267 42.539,1268 108.388,1269 254.57,1270 340.546,1271 372.785,1272 386.295,1273 386.295,1274 80.688,1275 8.548,1276 106.26,1277 114.64,1278 28,1279 12.976,1280 4,1281 3.392,1282 52.006,1283 153,1284 190,1285 0.16,1286 259.804,1287 460.25,1288 625.681,1289 71047,1291 24.579,1292 0.702,1293 0.606,1294 24.829,1295 21.216,1296 16.853,1297 0.432,1298 0.373,1299 12.908,1300 15.518,1301 12.497,1302 10.244,1303 17.674,1304 14.539,1305 15.813,1306 0.277,1307 0.215,1308 17.189,1309 12.259,1310 13.609,1311 0.177,1312 0.123,1313 14.748,1314 9.435,1315 10.901,1316 0.108,1317 0.065,1318 11.51,1319 6.529,1320 9.132,1321 0.07,1322 0.037,1323 9.667,1324 4.832,1325 0.251,1326 112.91,1327 0.196,1328 32.032,1329 0.443,1330 192,1331 498.528,1332 242.807,1333 501.161,1334 681.82,1335 464,1336 230,1337 474.596,1338 284.815,1339 511.991,1340 755.01,1341 484,1342 7.699}
{0 CHEMBL300138,1 1.463,2 13.769,3 4.534,4 20.558,5 151.757,6 7.583,7 0.578,8 4.333,9 4.449,10 3.937,11 3.93,12 5.403,13 3.909,14 4.891,15 5.057,16 4.336,17 4.371,18 5.922,19 4.332,20 5.159,21 5.356,22 4.405,23 4.538,24 6.128,25 4.466,26 5.263,27 5.477,28 4.438,29 4.597,30 6.268,31 4.508,32 5.31,33 5.525,34 4.491,35 4.613,36 6.325,37 4.532,38 5.321,39 5.528,40 4.488,41 4.613,42 6.389,43 4.535,44 5.332,45 5.549,46 4.383,47 4.562,48 6.387,49 4.469,50 5.254,51 5.487,52 4.229,53 4.439,54 6.266,55 4.338,56 0.024,57 1.003,58 13.098,59 5.962,60 8.409,61 7.762,62 0.268,63 1.73,64 25.55,65 10.038,66 25.517,67 13.473,68 0.279,69 2.148,70 35.731,71 14.257,72 33.073,73 19.155,74 0.361,75 2.339,76 40.757,77 16.439,78 61.46,79 22.531,80 0.425,81 2.439,82 43.258,83 16.985,84 51.945,85 23.08,86 0.414,87 2.432,88 43.587,89 16.945,90 64.64,91 22.641,92 0.47,93 2.42,94 45.411,95 17.217,96 83.853,97 22.682,98 0.493,99 2.205,100 43.594,101 15.829,102 86.688,103 20.961,104 10,105 66,106 0.225,107 0.565,108 0.719,109 0.796,110 0.832,111 0.85,112 3.694,113 0.897,114 -4.04,115 -3.99,116 -3.78,118 47.1,120 2,123 1,124 3,126 1,133 2,138 11,139 4,141 1,142 1,147 2,148 2,151 2,163 15,167 14,170 2,172 2,173 16,176 1,177 12,182 2,184 13,187 2,188 9,193 2,195 16,199 2,200 9,203 2,205 2,208 17,212 2,213 11,218 4,221 14,224 2,225 14,230 4,233 11,237 11,245 8,248 1,249 9,252 1,257 11,260 3072,261 26.999,262 26.999,263 26.999,264 26.999,265 26.999,266 23.554,267 25.266,268 15.774,269 27.369,270 22.269,271 22.269,272 22.269,273 22.269,274 22.269,275 16.942,276 30.58,277 7.522,278 22.853,279 4.625,280 2.421,281 1.418,282 0.917,283 0.688,284 0.57,285 4.42,289 1,290 1220,291 2.915,293 243.269,294 429.132,297 290.794,301 2.146,302 30.791,305 0.75,306 0.67,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.75,313 82.5,314 537,315 4.828,316 3.839,317 7.192,318 4.426,319 3.434,320 4.717,321 1.2,322 12.678,323 3.407,324 4.647,325 3.339,326 6.862,327 4.189,328 3.219,329 4.604,330 0.916,331 11.457,332 3.126,333 4.366,334 3.257,335 6.577,336 3.943,337 2.969,338 3.945,339 0.8,340 10.363,341 2.887,342 3.942,343 3.154,344 6.041,345 3.657,346 2.704,347 3.457,348 0.172,349 8.5,350 2.579,351 3.747,352 3.004,353 5.694,354 3.468,355 2.495,356 3.016,358 7.686,359 2.42,360 3.54,361 2.655,362 5.562,363 3.205,364 2.217,365 2.846,367 7.198,368 2.197,369 3.395,370 2.417,371 5.278,372 3.076,373 2.125,374 2.702,376 6.187,377 2.007,378 3.342,379 2.303,380 5.064,381 2.957,382 1.974,383 2.626,385 5.967,386 1.932,387 3.314,388 2.04,389 4.979,390 2.847,391 1.877,392 2.466,394 5.314,395 1.809,396 3.149,397 1.903,398 4.761,399 2.678,400 1.648,401 2.307,403 4.702,404 1.685,405 2.916,406 1.582,407 4.515,408 2.522,409 1.543,410 2.062,411 4.185,412 1.509,413 2.843,414 1.472,415 4.31,416 2.377,417 1.394,418 1.923,419 3.557,420 1.367,421 2.777,422 1.447,423 3.653,424 2.32,425 1.324,426 1.857,427 3.031,428 1.316,429 2.655,430 1.216,431 3.595,432 2.167,433 1.178,434 1.709,435 2.78,436 1.163,437 2.528,438 1.122,439 3.584,440 2.045,441 1.067,442 1.507,443 2.716,444 1.041,445 18.667,446 0.479,447 0.935,448 0.024,449 52.75,450 1.353,451 26.5,452 0.679,453 26.25,454 0.673,455 35.82,456 0.918,457 39.533,458 0.581,459 44.945,460 1.152,461 10.362,462 0.266,463 8.718,464 0.224,465 0.063,467 0.386,471 0.71,472 1.287,473 0.74,474 1.001,475 0.518,476 0.891,477 0.847,478 1.037,479 0.868,480 0.869,481 0.517,482 0.856,483 0.954,484 0.997,485 0.962,486 0.976,487 0.811,488 0.965,489 0.707,490 1.026,491 0.915,492 1.024,493 0.547,494 0.996,495 0.876,496 1.012,497 0.912,498 1.011,499 0.95,500 0.974,501 1.113,502 1.069,503 0.995,504 1.062,505 1.219,506 1.023,507 1.389,508 1.04,509 1.118,510 1.081,511 1.574,512 1.077,513 1.557,514 1.002,515 1.117,516 0.973,517 1.773,518 0.998,519 6,520 0.224,521 4.222,522 3.91,523 2.248,524 1.668,525 1.266,526 0.829,527 0.536,528 0.355,529 25302,530 59288,531 2.216,532 42.6,534 21,535 2,536 1,537 1,540 4,542 1.797,543 2.108,544 3.685,545 -0.434,550 99.456,551 1.463,552 3.666,553 4.67,554 5.17,555 5.4,556 5.518,557 3.214,558 4.978,559 5.251,560 3.876,561 2871.9,562 9.281,563 46468.6,568 413.947,569 1.296,570 5.233,571 0.133,572 0.005,573 0.064,574 0.057,575 0.032,576 0.023,577 0.018,578 0.013,579 0.01,580 0.007,581 0.362,582 0.33,583 0.75,584 0.42,585 215.456,586 -0.009,587 -0.177,588 0.072,589 -0.037,590 -0.013,591 0.015,592 0.023,593 0.077,594 0.02,595 0.073,596 0.06,597 0.054,598 -0.062,599 0.031,600 -0.026,602 -0.015,603 -0.004,604 0.107,605 -0.033,606 0.037,607 -0.032,608 0.187,609 -0.007,610 0.109,611 -0.018,612 0.061,613 -0.028,614 0.036,615 0.004,616 0.017,617 -0.079,618 -0.017,619 -0.081,620 0.011,621 -0.056,622 -0.106,623 -0.068,624 -0.112,625 -0.1,626 -0.101,627 -0.108,628 -0.195,629 -0.045,630 -0.08,631 0.008,632 -0.196,633 -0.02,634 2.008,635 6.339,636 0.897,637 45.945,638 0.997,639 1.116,640 2.809,641 7.892,642 0.692,643 3.829,644 4.205,645 4.575,646 4.949,647 5.226,648 5.394,649 5.642,650 5.844,651 5.976,652 6.127,653 7.828,654 0.66,655 515.66,656 3.829,657 5.407,658 6.304,659 7.225,660 8.143,661 9.073,662 10.002,663 10.938,664 11.872,665 12.812,666 7.4,669 1,673 1,674 2,676 1,680 4,681 14,682 1,686 3,687 2,688 26,705 68,706 29,707 2,708 45,710 74,711 32,712 21,713 4,714 8,715 4,717 7,718 9,724 3,727 3,729 25,730 7,733 3,737 2,740 4,747 29,748 5,749 1,750 7,755 5,758 1,760 0.714,761 2,773 1,775 2,778 3,779 4,782 2,796 2,800 1,803 5,807 1,811 39,817 5,818 1,821 1,822 1,833 2.9,836 2,841 18.5,842 12.633,843 8.333,844 4.229,847 5.129,848 1.545,849 1.059,850 5.952,851 14.546,852 4.127,853 4.787,854 5.474,855 6.159,856 6.731,857 7.14,858 7.666,859 8.146,860 8.471,861 8.912,862 1,863 69,864 14.516,865 6.465,866 7.62,867 28.163,868 24.475,869 2.12,870 82.667,874 329.591,875 185.506,876 41.719,878 50.29,881 185.506,882 379.881,883 41.719,884 8.396,885 29.397,886 122.334,887 88.256,888 36.615,889 27.83,890 294.278,892 329.591,893 227.225,894 50.29,897 282.506,898 97.374,900 48.124,901 162.316,902 16.786,904 329.591,905 92.009,906 185.506,909 329.591,910 45.729,911 146.7,912 18.011,913 67.075,914 329.591,915 92.009,916 185.506,918 0.588,919 0.359,920 0.213,921 0.12,922 36,923 15,924 0.068,925 5,926 2,927 1.114,928 4.812,929 430.55,930 0.114,931 35,932 198.131,936 24.081,937 9.639,938 4.117,939 4.061,940 88.21,941 28.156,942 4.485,946 2.688,947 4.333,948 18.011,949 607.106,950 61,954 26.575,957 0.228,960 67.767,961 75.893,962 0.24,963 0.602,964 0.767,965 0.849,966 0.887,967 0.906,968 5.391,969 1.974,970 6.304,971 6.187,972 4.89,973 5.476,974 1.897,975 7.194,976 4.842,977 6.62,978 1.877,979 7.904,980 5.967,981 4.511,982 5.345,983 0.325,984 8.231,985 4.439,986 7.952,987 1.648,988 9.607,989 5.314,990 6.547,991 7.765,992 1.935,993 11.422,994 6.452,995 9.326,996 1.543,997 11.375,998 4.702,999 7.04,1000 8.538,1001 0.393,1002 13.347,1003 6.927,1004 10.739,1005 1.394,1006 13.184,1007 4.185,1008 8.535,1009 10.415,1010 2.104,1011 16.059,1012 8.402,1013 12.181,1014 1.324,1015 15.023,1016 3.557,1017 9.425,1018 11.611,1019 0.384,1020 18.334,1021 9.28,1022 13.646,1023 1.178,1024 16.885,1025 3.031,1026 10.719,1027 13.275,1028 2.35,1029 20.9,1030 10.559,1031 3.434,1032 1.067,1033 18.763,1034 2.78,1035 11.786,1036 14.663,1037 0.351,1038 23.313,1039 11.617,1040 3.219,1041 12.678,1042 20.654,1043 2.716,1044 13.01,1045 16.244,1046 2.642,1047 25.836,1048 12.829,1049 2.969,1050 11.457,1051 22.557,1052 4.717,1053 14.153,1054 17.715,1055 0.312,1056 28.306,1057 13.964,1058 2.704,1059 10.363,1060 24.468,1061 4.604,1062 15.357,1063 19.266,1064 2.962,1065 30.819,1066 15.159,1067 2.495,1068 8.5,1069 26.386,1070 3.945,1071 16.535,1072 20.774,1073 0.273,1074 33.314,1075 16.329,1076 2.217,1077 7.686,1078 28.31,1079 3.457,1080 17.737,1081 22.314,1082 3.298,1083 35.828,1084 17.523,1085 2.125,1086 7.198,1087 30.239,1088 3.016,1089 18.931,1090 23.838,1091 0.236,1092 38.337,1093 18.711,1094 22801,1095 35103,1096 31.035,1097 47.074,1098 70.136,1099 71.333,1100 71.263,1101 69.338,1102 69.375,1103 92.678,1104 6.178,1105 209.407,1106 67.753,1107 5.828,1108 5.839,1109 6.994,1110 5.47,1111 5.434,1112 7.717,1113 2.4,1114 20.534,1115 5.407,1116 14.388,1117 1.559,1118 1.585,1119 1.584,1120 1.541,1121 1.542,1122 2.06,1123 0.137,1124 4.653,1125 1.506,1126 4.212,1127 4.241,1128 4.181,1129 4.13,1130 7.45,1131 4.139,1132 4.102,1133 4.137,1134 4.065,1135 4.016,1136 7.408,1137 4.024,1138 3.908,1139 3.958,1140 3.835,1141 3.787,1142 4.962,1143 3.792,1144 3.782,1145 3.822,1146 3.743,1147 3.645,1148 4.892,1149 3.658,1150 3.738,1151 3.773,1152 3.637,1153 3.615,1154 4.881,1155 3.616,1156 3.444,1157 3.511,1158 3.33,1159 3.292,1160 4.356,1161 3.294,1162 3.383,1163 3.446,1164 3.287,1165 3.213,1166 4.317,1167 3.226,1168 3.17,1169 3.235,1170 3.04,1171 3.03,1172 4.214,1173 3.023,1174 0.107,1175 0.085,1176 0.16,1177 0.098,1178 0.076,1179 4.828,1180 0.105,1181 3.839,1182 0.027,1183 7.192,1184 0.282,1185 4.426,1186 0.076,1187 3.434,1188 4.717,1189 1.2,1190 12.678,1191 3.407,1192 1.968,1193 1.948,1194 2.083,1195 2.091,1196 1.434,1197 2.092,1198 1.94,1199 1.911,1200 2.038,1201 2.027,1202 1.2,1203 2.031,1204 1.877,1205 1.833,1206 2.005,1207 1.995,1208 1.146,1209 1.999,1210 1.797,1211 1.755,1212 1.938,1213 1.926,1214 1.044,1215 1.933,1216 1.681,1217 1.645,1218 1.798,1219 1.827,1220 0.946,1221 1.822,1222 1.492,1223 1.44,1224 1.654,1225 1.69,1226 0.825,1227 1.677,1228 1.299,1229 1.245,1230 1.513,1231 1.594,1232 0.794,1233 1.535,1234 1.26,1235 1.213,1236 1.506,1237 1.492,1238 0.691,1239 1.494,1240 4.511,1242 5.872,1243 3.434,1244 7.431,1245 5.938,1246 9.078,1247 8.138,1248 10.775,1250 1.965,1256 4.823,1257 2.587,1260 0.311,1261 2.454,1267 44.858,1268 99.456,1269 249.288,1270 317.529,1271 351.583,1272 367.193,1273 375.193,1274 63.491,1275 9.417,1276 75.92,1277 75.92,1278 39,1279 13.309,1280 4.907,1281 4.087,1282 50.379,1283 178,1284 229,1285 0.135,1286 266.952,1287 456.76,1288 643.123,1289 199345,1291 26.509,1292 0.68,1293 0.559,1294 26.509,1295 21.801,1296 19.081,1297 0.424,1298 0.299,1299 13.3,1300 18.516,1301 13.005,1302 10.704,1303 19.081,1304 13.449,1305 17.53,1306 0.266,1307 0.159,1308 17.53,1309 10.5,1310 15.698,1311 0.164,1312 0.085,1313 15.698,1314 8.17,1315 14.368,1316 0.103,1317 0.045,1318 14.368,1319 6.292,1320 12.105,1321 0.065,1322 0.025,1323 12.105,1324 4.594,1325 0.211,1326 118.309,1327 0.18,1328 34.804,1329 0.375,1330 222,1331 560.384,1332 237.114,1333 552.222,1334 777.99,1335 520,1336 273,1337 592.442,1338 289.671,1339 604.965,1340 899.54,1341 572,1342 5}
{0 CHEMBL300853,1 1.61,2 14.553,3 3.852,4 14.838,5 148.581,6 7.307,7 0.262,8 4.396,9 4.511,10 4.047,11 3.944,12 5.385,13 3.893,14 5.003,15 5.182,16 4.381,17 4.381,18 6.137,19 4.309,20 5.301,21 5.517,22 4.407,23 4.554,24 6.313,25 4.445,26 5.379,27 5.613,28 4.335,29 4.568,30 6.337,31 4.438,32 5.365,33 5.613,34 4.341,35 4.505,36 6.327,37 4.379,38 5.308,39 5.548,40 4.352,41 4.472,42 6.299,43 4.361,44 5.28,45 5.517,46 4.347,47 4.481,48 6.328,49 4.374,50 5.31,51 5.526,52 4.351,53 4.523,54 6.309,55 4.404,56 0.103,57 1.113,58 19.207,59 7.616,60 19.438,61 9.62,62 0.474,63 1.866,64 35.223,65 12.876,66 79.43,67 17.255,68 0.647,69 2.298,70 50.867,71 17.587,72 84.179,73 23.4,74 0.542,75 2.373,76 51.8,77 18.608,78 91.083,79 25.66,80 0.656,81 2.278,82 52.5,83 17.906,84 96.59,85 24.98,86 0.751,87 2.197,88 50.675,89 16.966,90 94.419,91 23.5,92 0.663,93 2.189,94 46.671,95 16.095,96 120.253,97 22.966,98 0.65,99 2.298,100 48.496,101 16.632,102 91.618,103 22.8,104 45,105 61,106 0.249,107 0.574,108 0.768,109 0.833,110 0.867,111 0.867,112 3.668,113 1.085,114 -3.29,115 -3.27,116 -3.14,118 37.8,119 1,120 6,124 7,132 1,133 1,138 3,139 3,140 2,148 2,151 2,160 1,162 1,163 11,166 1,167 2,168 1,170 2,172 7,173 12,176 2,177 9,180 1,182 7,184 13,188 7,193 3,195 14,200 6,201 1,203 1,204 1,205 2,208 14,212 1,213 7,216 4,218 3,221 10,224 2,225 7,230 5,233 9,234 1,237 9,240 2,242 3,245 7,246 1,248 1,249 8,252 2,254 2,257 6,258 1,260 3178,261 25.427,262 25.427,263 25.427,264 25.427,265 25.427,266 23.374,267 31.16,268 14.654,269 26.168,270 20.658,271 20.658,272 20.658,273 20.658,274 20.658,275 17.125,276 33.461,277 6.885,278 21.673,279 4.599,280 2.497,281 1.24,282 0.821,283 0.605,284 0.605,285 4.37,289 1,290 1195,291 4.528,293 165.483,294 328.974,297 313.964,301 2.184,302 51.567,305 0.75,306 0.67,307 0.67,308 0.9,309 1,310 0.83,311 1,312 0.83,313 83,314 553,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.215,324 4.589,325 3.657,326 6.786,327 4.19,328 3.224,329 4.294,330 2.376,331 11.195,332 3.095,333 4.44,334 3.631,335 6.683,336 4.065,337 3.095,338 4.029,339 1.058,340 10.8,341 2.821,342 3.746,343 3.37,344 5.615,345 3.616,346 2.687,347 3.084,348 0.823,349 7.516,350 2.493,351 3.687,352 2.942,353 5.533,354 3.292,355 2.339,356 2.838,357 0.8,358 7.274,359 2.257,360 3.486,361 2.889,362 5.43,363 3.26,364 2.277,365 2.657,367 6.605,368 2.198,369 3.426,370 2.587,371 5.201,372 3.106,373 2.104,374 2.53,376 6.532,377 2.097,378 3.147,379 2.524,380 4.908,381 2.84,382 1.869,383 2.312,385 5.402,386 1.798,387 3.05,388 2.446,389 4.84,390 2.767,391 1.799,392 2.186,394 5.101,395 1.727,396 3.021,397 2.094,398 4.685,399 2.633,400 1.669,401 2.083,403 4.512,404 1.605,405 2.952,406 1.835,407 4.399,408 2.516,409 1.527,410 2.034,411 4.475,412 1.494,413 2.519,414 1.507,415 3.859,416 2.365,417 1.37,418 1.489,419 3.117,420 1.362,421 2.371,422 1.371,423 3.614,424 2.267,425 1.278,426 1.326,427 2.907,428 1.261,429 2.273,430 1.146,431 3.58,432 1.967,433 1,434 1.168,435 2.275,436 0.965,437 2,438 1.097,439 3.414,440 1.839,441 0.845,442 1,443 2.204,444 0.837,445 18.1,446 0.476,447 1.098,448 0.029,449 42.75,450 1.125,451 18,452 0.474,453 24.75,454 0.651,455 42.331,456 1.114,457 43.1,458 0.582,459 35.964,460 0.946,461 7.696,462 0.203,463 10.551,464 0.278,465 0.12,466 0.046,467 0.32,471 0.655,472 1.396,473 0.868,474 1.215,475 0.614,476 1.03,477 0.631,478 1.161,479 0.928,480 1.039,481 0.432,482 0.983,483 0.897,484 0.999,485 1.096,486 1.051,487 0.809,488 1.019,489 0.871,490 1.059,491 0.933,492 1.019,493 0.837,494 1.087,495 0.863,496 0.963,497 0.812,498 0.904,499 0.862,500 0.951,501 0.782,502 0.976,503 0.855,504 0.942,505 0.818,506 0.943,507 0.698,508 1.007,509 0.766,510 0.889,511 0.622,512 0.942,513 1,514 1.121,515 1.068,516 1.059,517 0.925,518 1.151,519 9,520 0.312,521 4.889,522 3.215,523 1.778,524 1.504,525 1.254,526 0.707,527 0.44,528 0.47,529 23168,530 63038,531 2.075,532 48.6,533 8,534 18,537 3,538 2,539 5,542 1.789,543 1.924,544 3.771,545 0.791,550 119.167,551 1.61,552 3.713,553 4.97,554 5.388,555 5.605,556 5.605,557 3.255,558 4.827,559 5.214,560 3.984,561 2800.96,562 9.2,563 46955.4,568 459.5,569 1.584,570 5.165,571 0.214,572 0.007,573 0.08,574 0.052,575 0.032,576 0.027,577 0.022,578 0.012,579 0.008,580 0.01,581 0.464,582 0.33,583 0.75,584 1.006,585 211.668,586 0.007,587 -0.109,588 0.159,589 0.003,590 -0.067,591 0.044,592 0.129,593 0.013,594 0.039,595 0.03,596 0.204,597 0.035,598 -0.048,599 0.069,600 -0.089,601 -0.003,602 -0.002,603 -0.009,604 -0.077,605 -0.063,606 -0.066,607 -0.062,608 -0.041,609 -0.082,610 -0.006,611 -0.003,612 0.078,613 0.036,614 -0.032,615 0.043,616 0.082,617 0.017,618 0.071,619 0.021,621 0.051,622 0.08,623 0.001,624 0.08,625 0.042,626 0.119,627 0.054,628 -0.106,629 -0.059,630 -0.157,631 -0.092,632 -0.084,633 -0.168,634 4.304,635 5.944,636 0.632,637 47.066,638 1.003,639 1.13,640 2.056,641 4.229,642 0.65,643 3.761,644 4.127,645 4.407,646 4.682,647 4.92,648 5.056,649 5.273,650 5.429,651 5.476,652 5.628,653 8.413,654 0.612,655 540.75,656 3.761,657 5.333,658 6.196,659 7.096,660 7.981,661 8.886,662 9.781,663 10.69,664 11.592,665 12.503,666 5.4,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 74,706 16,707 1,708 42,710 78,711 28,712 10,713 3,714 3,715 3,717 5,718 7,721 1,724 4,727 6,729 14,730 14,733 5,736 1,737 4,738 1,740 3,747 36,748 8,749 3,750 10,751 1,755 4,760 0.6,761 5,775 1,778 2,779 3,782 2,790 1,792 1,795 1,796 1,800 2,801 1,803 3,805 1,807 1,811 38,814 1,816 1,817 13,818 1,822 2,833 6.8,835 1,836 4,841 19.75,842 13.267,843 8.208,844 4.9,847 3.139,848 1.358,849 0.988,850 8.105,851 11.894,852 3.98,853 4.572,854 5.079,855 5.615,856 6.112,857 6.515,858 6.96,859 7.354,860 7.635,861 8.009,862 0.9,863 62,864 14.422,865 6.547,866 7.871,867 27.54,868 23.937,869 2.371,870 90.083,874 388.446,875 109.695,876 41.045,878 137.286,880 6.046,881 103.649,882 525.733,883 41.045,884 8.825,885 46.752,886 43.951,887 142.901,888 40.084,889 5.513,890 388.446,892 388.446,893 144.694,894 137.286,895 6.046,897 329.591,898 196.142,900 78.611,901 56.607,902 15.522,904 388.446,905 178.331,906 109.695,908 6.046,909 388.446,910 56.919,911 52.979,912 34.796,913 137.286,914 388.446,915 178.331,916 109.695,918 0.591,919 0.342,920 0.18,921 0.098,922 30,923 14,924 0.115,925 9,926 2,927 1.167,928 4.739,929 379.24,930 0.167,931 24,932 193.421,935 1,936 27.138,937 11.35,938 5.941,940 161.546,941 4.846,943 3.598,946 6.325,948 77.48,949 676.472,950 52.5,953 -3.387,954 48.886,955 1.905,957 -0.509,960 74.258,961 83.603,962 0.259,963 0.598,964 0.8,965 0.868,966 0.903,967 0.903,968 5.267,969 1.869,970 6.221,971 6.532,972 4.812,973 5.26,974 3.455,975 7.088,976 4.724,977 6.491,978 1.799,979 7.821,980 5.402,981 4.575,982 5.373,983 2.321,984 8.247,985 4.39,986 7.841,987 1.669,988 9.53,989 5.101,990 6.497,991 7.517,992 5.275,993 11.304,994 6.299,995 9.232,996 1.527,997 11.305,998 4.512,999 7.074,1000 8.471,1001 4.185,1002 13.299,1003 6.77,1004 10.662,1005 1.37,1006 13.125,1007 4.475,1008 8.513,1009 10.179,1010 7.327,1011 15.938,1012 8.191,1013 12.119,1014 1.278,1015 14.976,1016 3.117,1017 9.444,1018 11.471,1019 5.992,1020 18.242,1021 9.029,1022 13.597,1023 1,1024 16.851,1025 2.907,1026 10.713,1027 13.045,1028 9.437,1029 20.763,1030 10.268,1031 3.397,1032 0.845,1033 18.744,1034 2.275,1035 11.795,1036 14.47,1037 7.759,1038 23.178,1039 11.274,1040 3.224,1041 12.389,1042 20.652,1043 2.204,1044 13.007,1045 16.002,1046 11.568,1047 25.667,1048 12.445,1049 3.095,1050 11.195,1051 22.57,1052 4.71,1053 14.152,1054 17.481,1055 9.507,1056 28.123,1057 13.527,1058 2.687,1059 10.8,1060 24.497,1061 4.294,1062 15.347,1063 19.003,1064 13.712,1065 30.606,1066 14.676,1067 2.339,1068 7.516,1069 26.432,1070 4.029,1071 16.519,1072 20.506,1073 11.246,1074 33.081,1075 15.792,1076 2.277,1077 7.274,1078 28.372,1079 3.084,1080 17.711,1081 22.028,1082 15.862,1083 35.566,1084 16.936,1085 2.104,1086 6.605,1087 30.318,1088 2.838,1089 18.897,1090 23.543,1091 12.981,1092 38.05,1093 18.068,1094 22028,1095 36534,1096 27.739,1097 48.125,1098 63.646,1099 67.229,1100 65.941,1101 63.588,1102 63.459,1103 78.207,1104 16.015,1105 189.939,1106 60.862,1107 5.855,1108 7.244,1109 6.975,1110 5.365,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.215,1116 21.327,1117 1.515,1118 1.601,1119 1.57,1120 1.514,1121 1.511,1122 1.862,1123 0.381,1124 4.522,1125 1.449,1126 4.15,1127 4.164,1128 4.741,1129 4.132,1130 7.714,1131 4.071,1132 4.043,1133 4.05,1134 4.049,1135 3.977,1136 7.474,1137 3.952,1138 3.864,1139 3.936,1140 3.864,1141 3.746,1142 7.429,1143 3.698,1144 3.817,1145 3.81,1146 3.753,1147 3.659,1148 6.999,1149 3.67,1150 3.597,1151 3.659,1152 3.467,1153 3.458,1154 6.351,1155 3.443,1156 3.499,1157 3.551,1158 3.395,1159 3.329,1160 4.83,1161 3.329,1162 3.386,1163 3.427,1164 3.284,1165 3.195,1166 4.682,1167 3.211,1168 3.311,1169 3.368,1170 3.183,1171 3.11,1172 4.368,1173 3.119,1174 0.116,1175 0.125,1176 0.174,1177 0.102,1178 0.081,1179 4.855,1180 0.112,1181 5.244,1182 0.07,1183 7.294,1184 0.295,1185 4.298,1186 0.077,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.215,1192 1.985,1193 2.002,1194 2.059,1195 2.041,1196 1.412,1197 2.077,1198 1.875,1199 1.835,1200 2.012,1201 2.027,1202 1.345,1203 2.042,1204 1.805,1205 1.741,1206 1.978,1207 1.985,1208 1.296,1209 2.005,1210 1.724,1211 1.695,1212 1.873,1213 1.87,1214 1.194,1215 1.878,1216 1.61,1217 1.584,1218 1.786,1219 1.753,1220 1.017,1221 1.79,1222 1.51,1223 1.462,1224 1.687,1225 1.722,1226 0.871,1227 1.712,1228 1.342,1229 1.307,1230 1.552,1231 1.605,1232 0.825,1233 1.584,1234 1.234,1235 1.176,1236 1.513,1237 1.504,1238 0.751,1239 1.484,1240 4.443,1242 5.796,1243 3.045,1244 7.334,1245 5.533,1246 8.954,1247 7.719,1248 10.619,1250 1.619,1255 9.02,1256 10.521,1257 2.884,1261 4.374,1267 45.275,1268 119.167,1269 274.744,1270 367.751,1271 398.745,1272 414.745,1273 414.745,1274 92.161,1275 8.755,1276 126.57,1277 134.95,1278 28,1279 13.019,1280 4.087,1281 3.524,1282 59.044,1283 185,1284 231,1285 0.149,1286 277.259,1287 494.7,1288 668.272,1289 94204,1291 26.863,1292 0.707,1293 0.597,1294 27.113,1295 22.701,1296 18.246,1297 0.434,1298 0.362,1299 13.52,1300 16.734,1301 13.098,1302 10.731,1303 19.067,1304 15.194,1305 17.204,1306 0.282,1307 0.208,1308 18.579,1309 12.698,1310 14.245,1311 0.176,1312 0.12,1313 15.384,1314 9.702,1315 11.706,1316 0.109,1317 0.063,1318 12.315,1319 6.748,1320 9.601,1321 0.071,1322 0.036,1323 10.136,1324 4.929,1325 0.237,1326 122.463,1327 0.19,1328 34.529,1329 0.403,1330 206,1331 585.908,1332 261.213,1333 580.807,1334 778.58,1335 536,1336 245,1337 536.103,1338 303.642,1339 572.602,1340 840.31,1341 539,1342 8}
{0 CHEMBL301143,1 1.663,2 10.906,3 2.366,4 5.599,5 124.567,6 7.61,7 0.306,8 4.209,9 4.32,10 3.924,11 3.756,12 5.184,13 3.718,14 4.814,15 4.982,16 4.247,17 4.193,18 5.967,19 4.136,20 5.056,21 5.254,22 4.267,23 4.351,24 6.085,25 4.257,26 5.137,27 5.36,28 4.182,29 4.341,30 6.152,31 4.23,32 5.069,33 5.302,34 4.233,35 4.293,36 6.044,37 4.196,38 5.058,39 5.26,40 4.301,41 4.33,42 6.09,43 4.252,44 5.171,45 5.391,46 4.265,47 4.361,48 6.29,49 4.259,50 5.19,51 5.428,52 4.185,53 4.333,54 6.142,55 4.203,56 0.112,57 0.933,58 15.736,59 5.909,60 16.053,61 7.393,62 0.519,63 1.532,64 28.062,65 10.251,66 61.895,67 13.257,68 0.454,69 1.85,70 39.624,71 14.075,72 52.667,73 18.02,74 0.546,75 1.916,76 40.411,77 14.212,78 76.123,79 19.118,80 0.494,81 1.81,82 38.195,83 13.313,84 53.043,85 18.326,86 0.456,87 1.872,88 37.088,89 13.059,90 49.561,91 17.583,92 0.813,93 1.967,94 41.033,95 14.237,96 117.96,97 19.757,98 0.639,99 1.941,100 44.324,101 15.316,102 71.647,103 20.567,104 19,105 53,106 0.268,107 0.625,108 0.814,109 0.843,110 0.854,111 0.854,112 3.503,113 1.048,114 -2.26,115 -2.3,116 -2.27,118 38.3,120 4,123 1,124 5,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 9,166 1,167 2,170 3,172 7,173 10,176 1,177 7,182 8,184 10,188 8,191 1,193 4,195 7,200 8,203 1,204 1,205 3,208 7,213 6,216 2,217 1,218 3,221 6,224 3,225 5,228 3,230 3,233 6,237 8,240 2,241 1,242 3,245 5,249 5,254 1,257 4,260 1712,261 21.703,262 21.703,263 21.703,264 21.703,265 21.703,266 19.858,267 25.538,268 12.49,269 22.203,270 17.709,271 17.709,272 17.709,273 17.709,274 17.709,275 14.497,276 27.558,277 5.875,278 18.512,279 4.244,280 2.029,281 0.858,282 0.679,283 0.613,284 0.613,285 4.209,288 1,289 1,290 767,291 3.742,293 127.07,294 248.23,297 243.342,301 1.48,302 40.52,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 70,314 349,315 4.855,316 4.684,317 7.294,318 4.33,319 3.397,320 4.71,321 1.058,322 12.389,323 3.225,324 4.592,325 3.654,326 6.792,327 4.208,328 3.231,329 4.295,330 0.916,331 11.225,332 3.116,333 4.442,334 3.398,335 6.686,336 4.081,337 3.099,338 4.029,339 0.86,340 10.814,341 2.991,342 3.688,343 2.884,344 5.636,345 3.431,346 2.507,347 3.084,348 0.172,349 7.426,350 2.327,351 3.553,352 2.742,353 5.473,354 3.252,355 2.263,356 2.692,358 7.01,359 2.23,360 3.372,361 2.424,362 5.279,363 3.071,364 2.072,365 2.489,367 6.363,368 2.055,369 3.105,370 2.17,371 4.889,372 2.748,373 1.778,374 2.274,376 5.324,377 1.721,378 3.021,379 1.991,380 4.821,381 2.63,382 1.664,383 2.142,385 5.056,386 1.604,387 2.942,388 1.836,389 4.684,390 2.529,391 1.527,392 2.062,394 4.475,395 1.521,396 2.519,397 1.782,398 3.815,399 2.365,400 1.438,401 1.493,403 3.158,404 1.362,405 2.45,406 1.379,407 3.625,408 2.311,409 1.369,410 1.448,411 2.989,412 1.247,413 2.353,414 1.256,415 3.587,416 1.952,417 1,418 1.214,419 2.367,420 0.946,421 2,422 1.211,423 3.441,424 1.886,425 0.899,426 1,427 2.136,428 0.883,429 1.853,430 0.899,431 3.247,432 1.693,433 0.72,434 0.809,435 1.886,436 0.698,437 1.545,438 0.894,439 3.204,440 1.319,441 0.391,442 0.43,443 0.538,444 0.361,445 15.267,446 0.477,447 0.885,448 0.028,449 37.75,450 1.18,451 16.5,452 0.516,453 21.25,454 0.664,455 31.7,456 0.991,457 35.733,458 0.596,459 30.802,460 0.963,461 7.024,462 0.22,463 8.435,464 0.264,465 0.098,466 0.055,467 0.321,471 0.654,472 1.4,473 0.827,474 1.238,475 0.6,476 0.988,477 0.831,478 1.032,479 0.872,480 0.897,481 0.519,482 0.895,483 0.91,484 1.109,485 1.098,486 1.122,487 0.752,488 1.034,489 0.986,490 1.034,491 0.94,492 0.968,493 1.088,494 1.056,495 0.763,496 0.965,497 0.723,498 0.849,499 0.765,500 0.875,501 0.75,502 1.162,503 0.891,504 1.084,505 0.753,506 1.051,507 0.743,508 1.013,509 0.832,510 0.96,511 0.739,512 1.061,513 0.898,514 1,515 0.92,516 0.993,517 0.827,518 1.056,519 7,520 0.236,521 4.222,522 2.778,523 1.582,524 1.438,525 0.922,526 0.64,527 0.425,528 0.328,529 13438,530 35397,531 2.127,532 46.7,533 6,534 17,537 3,538 2,542 1.751,543 1.99,544 3.404,545 0.884,547 1,550 99.766,551 1.663,552 3.878,553 5.048,554 5.228,555 5.294,556 5.294,557 2.801,558 4.5,559 4.973,560 3.551,561 1761.46,562 8.735,563 24945.7,568 354.413,569 1.54,570 4.926,571 0.194,572 0.008,573 0.08,574 0.051,575 0.033,576 0.028,577 0.017,578 0.013,579 0.009,580 0.009,581 0.443,582 0.33,583 0.88,584 0.844,585 165.297,586 0.033,587 -0.135,588 0.195,589 -0.053,590 -0.091,591 0.042,592 0.096,593 0.101,594 0.048,595 0.112,596 0.196,597 0.08,598 -0.064,599 -0.051,600 -0.087,601 -0.055,602 0.039,603 -0.023,604 -0.111,605 -0.039,606 -0.078,607 -0.037,608 -0.081,609 -0.074,610 0.03,611 0.023,612 0.148,613 0.091,614 0.009,615 0.122,616 0.045,617 -0.092,618 -0.007,619 -0.116,620 0.022,621 -0.066,622 0.154,623 -0.019,624 -0.007,625 -0.06,626 0.169,627 -0.088,628 -0.001,629 -0.043,630 -0.009,631 -0.048,632 -0.007,633 -0.067,634 4.522,635 5.825,636 0.75,637 29.344,638 1.007,639 1.129,640 1.035,641 1.071,642 0.66,643 3.611,644 3.989,645 4.304,646 4.595,647 4.86,648 5.011,649 5.242,650 5.429,651 5.485,652 5.598,653 6.532,654 0.624,655 456.62,656 3.611,657 5.187,658 6.066,659 6.974,660 7.874,661 8.789,662 9.698,663 10.616,664 11.53,665 12.451,666 6.7,668 1,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 60,706 15,707 1,708 36,710 64,711 23,712 10,713 3,714 3,715 3,717 5,718 7,724 4,727 4,729 13,730 10,733 4,736 1,737 3,738 1,740 2,744 1,747 28,748 7,749 3,750 9,751 1,755 4,760 0.6,761 4,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 1,802 1,803 3,805 1,807 1,811 32,815 1,817 9,818 2,819 1,822 1,833 6.7,836 3,837 1,841 16.083,842 10.867,843 6.875,844 3.758,847 3.054,848 1.364,849 1.027,850 5.885,851 11.434,852 3.839,853 4.463,854 5.021,855 5.578,856 6.1,857 6.52,858 6.974,859 7.378,860 7.662,861 8.031,862 1,863 54,864 12.169,865 5.593,866 7.794,867 23.173,868 20.181,869 2.294,870 73.417,873 1,874 294.278,875 105.017,876 54.326,878 80.458,880 5.807,881 99.209,882 374.735,883 54.326,884 8.396,885 43.651,886 60.117,887 85.162,888 36.96,889 5.513,890 294.278,892 294.278,893 153.535,894 80.458,895 5.807,897 294.278,898 69.458,899 11,900 79.966,901 64.093,902 15.284,904 294.278,905 134.783,906 105.017,908 5.807,909 294.278,910 52.908,911 49.426,912 51.201,913 80.458,914 294.278,915 134.783,916 105.017,918 0.593,919 0.354,920 0.187,921 0.104,922 28,923 12,924 0.078,925 5,926 2,927 1.167,928 4.194,929 314.571,930 0.167,931 24,932 154,935 1,936 21.714,937 8.673,938 4.16,940 117.998,941 4.715,943 3.581,946 6.202,948 51.201,949 534.078,950 45.5,953 -3.606,954 37.421,955 1.894,957 0.263,960 60.396,961 67.733,962 0.281,963 0.656,964 0.855,965 0.885,966 0.896,967 0.896,968 5.128,969 1.664,970 6.094,971 5.324,972 4.673,973 5.15,974 1.828,975 6.984,976 4.595,977 6.363,978 1.527,979 7.708,980 5.056,981 4.443,982 5.286,983 0.325,984 8.184,985 4.316,986 7.726,987 1.438,988 9.432,989 4.475,990 6.382,991 7.457,992 1.716,993 11.256,994 6.221,995 9.132,996 1.369,997 11.223,998 3.158,999 6.986,1000 8.432,1001 0.393,1002 13.275,1003 6.768,1004 10.578,1005 1,1006 13.058,1007 2.989,1008 8.433,1009 10.153,1010 1.672,1011 15.924,1012 8.183,1013 12.049,1014 0.899,1015 14.923,1016 2.367,1017 9.387,1018 11.455,1019 0.384,1020 18.237,1021 9.08,1022 13.541,1023 0.72,1024 16.81,1025 2.136,1026 10.663,1027 13.035,1028 1.667,1029 20.763,1030 10.32,1031 3.397,1032 0.391,1033 18.712,1034 1.886,1035 11.76,1036 14.464,1037 0.351,1038 23.181,1039 11.364,1040 3.231,1041 12.389,1042 20.627,1043 0.538,1044 12.977,1045 15.999,1046 1.688,1047 25.672,1048 12.541,1049 3.099,1050 11.225,1051 22.552,1052 4.71,1053 14.132,1054 17.48,1055 0.312,1056 28.13,1057 13.645,1058 2.507,1059 10.814,1060 24.484,1061 4.295,1062 15.332,1063 19.003,1064 1.729,1065 30.614,1066 14.801,1067 2.263,1068 7.426,1069 26.423,1070 4.029,1071 16.51,1072 20.507,1073 0.273,1074 33.088,1075 15.93,1076 2.072,1077 7.01,1078 28.366,1079 3.084,1080 17.706,1081 22.028,1082 1.786,1083 35.574,1084 17.08,1085 1.778,1086 6.363,1087 30.314,1088 2.692,1089 18.895,1090 23.544,1091 0.236,1092 38.058,1093 18.22,1094 12626,1095 20716,1096 24.156,1097 39.625,1098 54.992,1099 57.278,1100 56.613,1101 54.835,1102 54.842,1103 68.507,1104 6.014,1105 166.662,1106 52.702,1107 5.855,1108 6.684,1109 7.096,1110 5.433,1111 5.397,1112 7.71,1113 2.117,1114 19.645,1115 5.225,1116 14.894,1117 1.528,1118 1.591,1119 1.573,1120 1.523,1121 1.523,1122 1.903,1123 0.167,1124 4.629,1125 1.464,1126 4.142,1127 4.16,1128 4.735,1129 4.099,1130 7.717,1131 4.058,1132 4.036,1133 4.046,1134 4.05,1135 3.962,1136 7.429,1137 3.939,1138 3.8,1139 3.828,1140 3.864,1141 3.707,1142 6.999,1143 3.65,1144 3.764,1145 3.791,1146 3.641,1147 3.55,1148 4.835,1149 3.562,1150 3.514,1151 3.574,1152 3.397,1153 3.386,1154 4.685,1155 3.37,1156 3.325,1157 3.374,1158 3.248,1159 3.168,1160 4.614,1161 3.167,1162 3.143,1163 3.225,1164 2.976,1165 2.941,1166 4.151,1167 2.93,1168 3.111,1169 3.206,1170 2.907,1171 2.94,1172 4.09,1173 2.91,1174 0.135,1175 0.13,1176 0.203,1177 0.12,1178 0.094,1179 4.855,1180 0.131,1181 4.684,1182 0.029,1183 7.294,1184 0.344,1185 4.33,1186 0.09,1187 3.397,1188 4.71,1189 1.058,1190 12.389,1191 3.225,1192 1.964,1193 1.973,1194 2.05,1195 2.024,1196 1.403,1197 2.059,1198 1.868,1199 1.827,1200 1.974,1201 2.005,1202 1.243,1203 2.019,1204 1.75,1205 1.705,1206 1.939,1207 1.96,1208 1.2,1209 1.964,1210 1.638,1211 1.608,1212 1.75,1213 1.806,1214 0.972,1215 1.804,1216 1.5,1217 1.491,1218 1.653,1219 1.716,1220 0.825,1221 1.728,1222 1.328,1223 1.293,1224 1.513,1225 1.552,1226 0.772,1227 1.527,1228 1.181,1229 1.109,1230 1.505,1231 1.424,1232 0.722,1233 1.433,1234 1.153,1235 1.064,1236 1.443,1237 1.376,1238 0.672,1239 1.429,1240 4.29,1242 5.652,1243 3.045,1244 7.209,1245 5.533,1246 8.846,1247 7.719,1248 10.527,1250 1.379,1256 8.472,1257 5.201,1258 5.502,1261 2.393,1267 37.453,1268 99.766,1269 232.665,1270 302.904,1271 313.659,1272 317.659,1273 317.659,1274 63.74,1275 8.38,1276 107.29,1277 115.67,1278 28,1279 12.96,1280 4,1281 3.392,1282 45.399,1283 125,1284 123,1285 0.177,1286 228.229,1287 402.05,1288 548.638,1289 54815,1291 22.294,1292 0.697,1293 0.593,1294 22.544,1295 18.978,1296 15.459,1297 0.429,1298 0.349,1299 11.058,1300 13.998,1301 10.705,1302 8.771,1303 16.28,1304 12.581,1305 14.496,1306 0.274,1307 0.196,1308 15.872,1309 10.384,1310 12.654,1311 0.173,1312 0.109,1313 13.793,1314 7.982,1315 10.367,1316 0.106,1317 0.057,1318 10.975,1319 5.559,1320 8.712,1321 0.068,1322 0.032,1323 9.247,1324 4.104,1325 0.272,1326 105.5,1327 0.203,1328 29.335,1329 0.505,1330 178,1331 510.446,1332 231.524,1333 505.984,1334 689.74,1335 470,1336 215,1337 477.151,1338 273.978,1339 517.745,1340 765.76,1341 487,1342 7.398}
{0 CHEMBL301271,1 1.655,2 10.267,3 2.867,4 8.222,5 116.128,6 7.774,7 0.333,8 4.105,9 4.213,10 3.831,11 3.708,12 5.159,13 3.654,14 4.678,15 4.829,16 4.165,17 4.138,18 5.911,19 4.064,20 4.965,21 5.157,22 4.187,23 4.265,24 6.101,25 4.175,26 5.003,27 5.202,28 4.11,29 4.253,30 6.124,31 4.156,32 4.955,33 5.172,34 4.148,35 4.216,36 6.013,37 4.114,38 4.972,39 5.184,40 4.217,41 4.207,42 6.117,43 4.13,44 4.996,45 5.202,46 4.123,47 4.175,48 6.265,49 4.094,50 4.971,51 5.187,52 4.04,53 4.115,54 6.145,55 4.01,56 0.107,57 0.822,58 13.675,59 5.734,60 22.511,61 6.744,62 0.304,63 1.343,64 24.152,65 10.327,66 69.149,67 12.798,68 0.43,69 1.664,70 36.594,71 13.209,72 83.81,73 16.175,74 0.519,75 1.694,76 34.409,77 12.565,78 95.303,79 15.997,80 0.391,81 1.634,82 33.042,83 12.528,84 63.269,85 16.668,86 0.469,87 1.656,88 35.096,89 12.613,90 71.713,91 16.531,92 0.69,93 1.647,94 34.378,95 11.679,96 147.164,97 15.406,98 0.643,99 1.6,100 35.474,101 11.615,102 107.367,103 14.76,104 46,105 49,106 0.271,107 0.631,108 0.8,109 0.868,110 0.88,111 0.88,112 3.441,113 1.078,114 -3.13,115 -3.13,116 -3.01,118 40,119 1,120 6,124 1,132 1,133 1,138 3,139 3,140 2,148 2,151 2,156 1,157 1,158 1,163 11,166 1,167 2,169 1,170 2,172 8,173 12,175 1,177 9,182 8,184 13,186 1,188 7,193 4,195 14,197 1,200 5,203 1,204 1,205 3,208 14,211 1,213 6,216 3,217 1,218 5,220 1,221 10,223 2,224 2,225 6,230 8,233 9,235 3,237 7,240 2,242 4,245 7,247 2,248 1,249 5,251 1,252 2,253 1,254 2,256 1,257 6,259 1,260 1434,261 19.842,262 19.842,263 19.842,264 19.842,265 19.842,266 17.789,267 20.807,268 11.281,269 20.327,270 16.192,271 16.192,272 16.192,273 16.192,274 16.192,275 12.649,276 18.306,277 5.27,278 16.801,279 4.127,280 1.932,281 0.9,282 0.486,283 0.414,284 0.414,285 4.131,288 1,289 1,290 657,291 4.183,293 121.492,294 155.065,297 231.985,301 1.484,302 46.529,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 65.5,314 308,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.215,324 4.59,325 3.657,326 6.786,327 4.19,328 3.225,329 4.294,330 1.886,331 11.196,332 3.096,333 4.441,334 3.526,335 6.683,336 4.065,337 3.096,338 4.029,339 1.058,340 10.801,341 2.821,342 3.687,343 3.356,344 5.616,345 3.301,346 2.301,347 3.084,349 7.276,350 2.301,351 3.558,352 2.889,353 5.431,354 3.226,355 2.214,356 2.735,358 6.563,359 2.221,360 3.412,361 2.587,362 4.916,363 3.074,364 2.066,365 2.623,367 5.474,368 2.07,369 3.128,370 2.452,371 4.845,372 2.758,373 1.78,374 2.301,376 5.171,377 1.735,378 3.031,379 2.091,380 4.685,381 2.628,382 1.663,383 2.172,385 4.957,386 1.601,387 2.95,388 1.835,389 4.627,390 2.516,391 1.527,392 2.075,394 4.475,395 1.494,396 2.516,397 1.46,398 3.799,399 2.364,400 1.37,401 1.486,403 3.03,404 1.362,405 2.361,406 1.367,407 3.596,408 2.046,409 1.041,410 1.244,411 2.597,412 1.043,413 2.055,414 1.096,415 3.534,416 1.768,417 0.779,418 0.987,419 2.044,420 0.767,421 1.545,422 0.947,423 3.204,424 1.356,425 0.391,426 0.43,427 0.772,428 0.372,429 1.539,430 0.773,431 2.934,432 1.325,433 0.332,434 0.38,435 0.535,436 0.327,437 1.424,438 0.529,439 2.842,440 1.005,441 0.018,442 0.024,443 0.048,444 0.018,445 14.367,446 0.479,447 0.961,448 0.032,449 36.75,450 1.225,451 18,452 0.6,453 18.75,454 0.625,455 28.964,456 0.965,457 33.033,458 0.601,459 29.588,460 0.986,461 6.541,462 0.218,463 7.756,464 0.259,465 0.155,466 0.058,467 0.348,471 0.582,472 1.133,473 0.849,474 1.097,475 0.615,476 0.919,477 0.478,478 1.153,479 0.866,480 1.092,481 0.465,482 0.993,483 1.028,484 1.043,485 1.115,486 1.074,487 0.949,488 0.982,489 1.168,490 1.009,491 1.016,492 0.951,493 1.078,494 1.069,495 0.693,496 1.029,497 0.753,498 0.949,499 0.693,500 0.98,501 0.678,502 1.089,503 0.777,504 1.022,505 0.73,506 0.95,507 1.077,508 1.048,509 0.884,510 0.92,511 1.049,512 1.021,513 1.266,514 1.014,515 1.067,516 0.959,517 1.242,518 1.056,519 7.5,520 0.191,521 4.444,522 2.84,523 1.396,524 1.494,525 1.143,526 0.589,527 0.466,528 0.36,529 10609,530 30689,531 2.04,532 45.5,533 8,534 6,537 4,538 4,539 3,542 1.735,543 1.865,544 3.338,545 1.631,547 1,550 91.016,551 1.655,552 3.85,553 4.881,554 5.295,555 5.368,556 5.368,557 2.715,558 4.348,559 4.879,560 3.494,561 1519.68,562 8.546,563 20611.8,565 1,567 1,568 317.975,569 1.679,570 4.809,571 0.227,572 0.009,573 0.091,574 0.057,575 0.031,576 0.032,577 0.023,578 0.013,579 0.012,580 0.012,581 0.507,582 0.17,583 1,584 1.312,585 151.818,586 0.006,587 0.096,588 0.163,589 0.075,590 -0.092,591 0.096,592 0.209,593 -0.058,594 0.075,595 -0.01,596 0.196,597 0.024,598 -0.121,599 -0.014,600 -0.088,601 -0.018,602 -0.047,603 0.017,604 -0.2,605 -0.001,606 -0.16,607 -0.028,608 -0.131,609 -0.108,610 0.055,611 -0.044,612 0.102,613 -0.007,614 0.009,615 0.019,616 0.155,617 -0.087,618 0.129,619 -0.065,620 0.059,621 0.038,622 -0.008,623 -0.06,624 -0.044,625 -0.042,626 0.02,627 -0.079,628 -0.142,629 -0.008,630 -0.12,631 -0.039,632 -0.142,633 -0.119,634 4.304,635 5.67,636 0.6,637 26.933,638 1.007,639 1.124,640 1.9,641 3.611,642 0.67,643 3.526,644 3.912,645 4.205,646 4.489,647 4.745,648 4.92,649 5.124,650 5.283,651 5.298,652 5.38,653 6.291,654 0.635,655 427.57,656 3.526,657 5.106,658 5.979,659 6.891,660 7.789,661 8.707,662 9.616,663 10.537,664 11.451,665 12.374,666 5.5,673 2,674 1,681 3,683 1,686 7,688 11,705 55,706 16,707 1,708 33,710 58,711 22,712 10,713 3,714 3,715 3,717 4,718 6,721 1,724 4,727 6,729 14,730 8,733 5,736 1,737 4,738 1,740 3,744 1,747 25,748 6,749 4,750 8,751 1,755 3,760 0.5,761 4,775 1,778 2,779 2,782 2,789 1,790 1,795 1,796 1,803 2,805 1,807 1,811 30,812 1,814 1,817 7,818 1,833 7.3,836 4,841 16.083,842 10,843 6.458,844 3.583,847 3.08,848 1.385,849 1.018,850 5.605,851 11.089,852 3.795,853 4.44,854 4.981,855 5.539,856 6.067,857 6.496,858 6.943,859 7.34,860 7.615,861 7.973,862 0.857,863 50,864 11.402,865 5.275,866 8.003,867 21.318,868 18.544,869 2.503,870 75.083,873 1,874 247.193,875 100.856,876 67.693,878 94.603,880 6.046,881 94.81,882 341.796,883 67.693,884 8.825,885 67.015,886 43.951,887 104.012,888 33.835,889 5.513,890 247.193,892 247.193,893 162.503,894 94.603,895 6.046,897 211.88,898 129.916,900 92.626,901 60.401,902 15.522,904 247.193,905 162.296,906 100.856,908 6.046,909 247.193,910 48.079,911 46.73,912 34.796,913 127.5,914 247.193,915 162.296,916 100.856,918 0.596,919 0.346,920 0.178,921 0.102,922 25,923 12,924 0.103,925 6,926 2,927 1.222,928 3.946,929 280.868,930 0.222,931 18,932 145.207,935 1,936 20.891,937 8.049,938 3.998,940 145.511,941 4.709,943 3.434,946 5.549,948 67.693,949 510.345,950 43.5,953 -3.388,954 48.656,955 1.776,957 -0.223,960 55.411,961 61.82,962 0.286,963 0.666,964 0.844,965 0.916,966 0.928,967 0.928,968 5.08,969 1.663,970 6.023,971 5.171,972 4.595,973 5.127,974 3.272,975 6.923,976 4.528,977 6.339,978 1.527,979 7.648,980 4.957,981 4.443,982 5.316,983 1.593,984 8.159,985 4.286,986 7.712,987 1.37,988 9.382,989 4.475,990 6.319,991 7.457,992 5.144,993 11.218,994 6.151,995 9.126,996 1.041,997 11.181,998 3.03,999 6.967,1000 8.445,1001 2.98,1002 13.255,1003 6.691,1004 10.575,1005 0.779,1006 13.022,1007 2.597,1008 8.385,1009 10.156,1010 7.226,1011 15.902,1012 8.093,1013 12.049,1014 0.391,1015 14.892,1016 2.044,1017 9.363,1018 11.46,1019 4.33,1020 18.223,1021 8.972,1022 13.541,1023 0.332,1024 16.783,1025 0.772,1026 10.628,1027 13.037,1028 9.363,1029 20.749,1030 10.206,1031 3.397,1032 0.018,1033 18.69,1034 0.535,1035 11.737,1036 14.465,1037 5.648,1038 23.17,1039 11.235,1040 3.225,1041 12.389,1042 20.608,1043 0.048,1044 12.952,1045 16,1046 11.517,1047 25.662,1048 12.408,1049 3.096,1050 11.196,1051 22.536,1052 4.71,1053 14.112,1054 17.48,1055 6.944,1056 28.12,1057 13.502,1058 2.301,1059 10.801,1060 24.47,1061 4.294,1062 15.312,1063 19.002,1064 13.677,1065 30.604,1066 14.654,1067 2.214,1068 7.276,1069 26.411,1070 4.029,1071 16.493,1072 20.506,1073 8.228,1074 33.08,1075 15.777,1076 2.066,1077 6.563,1078 28.356,1079 3.084,1080 17.689,1081 22.028,1082 15.839,1083 35.565,1084 16.923,1085 1.78,1086 5.474,1087 30.305,1088 2.735,1089 18.879,1090 23.543,1091 9.506,1092 38.049,1093 18.059,1094 10340,1095 17738,1096 21.383,1097 36.858,1098 50.639,1099 54.326,1100 52.822,1101 50.475,1102 50.396,1103 65.145,1104 11.788,1105 154.655,1106 48.887,1107 5.801,1108 7.244,1109 6.975,1110 5.364,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.215,1116 17.649,1117 1.535,1118 1.646,1119 1.601,1120 1.53,1121 1.527,1122 1.974,1123 0.357,1124 4.687,1125 1.481,1126 4.147,1127 4.159,1128 4.741,1129 4.131,1130 7.714,1131 4.069,1132 4.042,1133 4.049,1134 4.047,1135 3.975,1136 7.437,1137 3.952,1138 3.818,1139 3.811,1140 3.864,1141 3.745,1142 7.429,1143 3.696,1144 3.638,1145 3.69,1146 3.524,1147 3.48,1148 6.999,1149 3.474,1150 3.491,1151 3.549,1152 3.388,1153 3.339,1154 4.888,1155 3.34,1156 3.334,1157 3.384,1158 3.242,1159 3.162,1160 4.822,1161 3.171,1162 3.117,1163 3.201,1164 2.957,1165 2.94,1166 4.682,1167 2.909,1168 3.106,1169 3.151,1170 2.932,1171 2.918,1172 4.106,1173 2.896,1174 0.147,1175 0.159,1176 0.221,1177 0.13,1178 0.103,1179 4.855,1180 0.143,1181 5.244,1182 0.089,1183 7.294,1184 0.375,1185 4.298,1186 0.097,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.215,1192 1.985,1193 2.002,1194 2.052,1195 2.029,1196 1.405,1197 2.077,1198 1.87,1199 1.831,1200 1.98,1201 1.99,1202 1.296,1203 2.013,1204 1.74,1205 1.714,1206 1.881,1207 1.892,1208 1.17,1209 1.895,1210 1.616,1211 1.595,1212 1.785,1213 1.76,1214 1.009,1215 1.794,1216 1.514,1217 1.475,1218 1.67,1219 1.728,1220 0.813,1221 1.711,1222 1.262,1223 1.219,1224 1.465,1225 1.531,1226 0.702,1227 1.498,1228 1.15,1229 1.086,1230 1.373,1231 1.397,1232 0.582,1233 1.399,1234 1.109,1235 1.06,1236 1.308,1237 1.322,1238 0.428,1239 1.369,1240 4.205,1242 5.572,1243 3.045,1244 7.125,1245 5.533,1246 8.761,1247 7.719,1248 10.444,1250 1.594,1254 5.369,1256 4.8,1257 2.806,1267 34.905,1268 91.016,1269 211.733,1270 268.465,1271 291.22,1272 295.22,1273 295.22,1274 75.203,1275 8.009,1276 125.88,1277 134.26,1278 22,1279 12.882,1280 4.087,1281 3.524,1282 46.737,1283 113,1284 109,1285 0.205,1286 216.308,1287 383.47,1288 519.551,1289 33454,1291 21.466,1292 0.716,1293 0.59,1294 21.716,1295 17.694,1296 14.297,1297 0.433,1298 0.359,1299 10.257,1300 13.025,1301 9.882,1302 8.123,1303 15.118,1304 11.862,1305 13.728,1306 0.28,1307 0.205,1308 15.103,1309 10.049,1310 11.401,1311 0.173,1312 0.115,1313 12.54,1314 7.598,1315 9.167,1316 0.104,1317 0.059,1318 9.776,1319 5.155,1320 7.647,1321 0.067,1322 0.033,1323 8.182,1324 3.738,1325 0.314,1326 97.252,1327 0.216,1328 27.767,1329 0.584,1330 164,1331 481.781,1332 213.863,1333 486.128,1334 652.32,1335 446,1336 197,1337 449.692,1338 249.651,1339 487.087,1340 713.26,1341 459,1342 7.523}
{0 CHEMBL31965,1 1.772,2 13.382,3 4.038,4 16.303,5 128.881,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.727,15 4.89,16 4.185,17 4.051,18 5.872,19 4.039,20 4.974,21 5.173,22 4.295,23 4.187,24 6.14,25 4.149,26 4.987,27 5.209,28 4.153,29 4.174,30 6.024,31 4.1,32 4.981,33 5.213,34 4.15,35 4.173,36 6.025,37 4.098,38 4.966,39 5.177,40 4.196,41 4.161,42 6.05,43 4.111,44 4.953,45 5.157,46 4.23,47 4.162,48 6.137,49 4.106,50 4.887,51 5.09,52 4.185,53 4.122,54 6.058,55 4.065,56 0.126,57 0.934,58 10.471,59 5.109,60 13.648,61 6.243,62 0.499,63 1.442,64 22.228,65 8.341,66 37.702,67 10.315,68 0.855,69 1.704,70 34.269,71 10.812,72 80.994,73 13.657,74 0.767,75 1.674,76 34.53,77 11.419,78 69.915,79 15.23,80 0.746,81 1.619,82 35.318,83 11.901,84 69.817,85 16.304,86 0.759,87 1.615,88 32.606,89 10.923,90 68.483,91 14.343,92 0.913,93 1.625,94 32.179,95 10.748,96 81.979,97 14.076,98 0.567,99 1.61,100 30.95,101 10.087,102 61.965,103 13.165,104 20,105 50,106 0.287,107 0.648,108 0.808,109 0.875,110 0.875,111 0.875,112 3.56,113 0.915,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,124 6,131 1,132 1,138 5,139 1,140 5,142 1,143 1,144 1,151 1,163 3,166 1,167 7,170 2,172 5,173 3,176 1,177 4,180 1,182 5,184 3,187 2,188 5,191 1,193 2,195 5,199 1,200 5,203 2,204 1,205 1,208 7,212 1,213 6,216 1,221 7,224 3,225 5,228 2,230 3,233 3,236 1,237 7,242 3,245 2,248 1,249 5,254 1,257 2,260 2324,261 23.162,262 23.162,263 23.162,264 23.162,265 23.162,266 20.866,267 31.688,268 13.905,269 23.947,270 18.231,271 18.231,272 18.231,273 18.231,274 18.231,275 14.648,276 45.905,277 6.598,278 19.543,279 4.11,280 1.881,281 0.892,282 0.475,283 0.475,284 0.475,285 4.258,286 1,289 1,290 975,291 3.808,294 419.253,298 162.198,301 2.369,302 42.335,305 1,306 0.83,307 0.83,308 0.8,309 0.5,310 1,311 1,312 0.85,313 75.333,314 455,315 4.578,316 3.49,317 6.588,318 4.109,319 3.141,320 4.514,321 1.058,322 10.55,323 3.039,324 4.219,325 3.311,326 6.08,327 3.767,328 2.839,329 3.872,330 0.86,331 8.858,332 2.628,333 4.026,334 3.2,335 5.947,336 3.624,337 2.682,338 3.519,339 0.86,340 8.306,341 2.514,342 3.662,343 2.907,344 5.367,345 3.437,346 2.521,347 2.973,348 0.8,349 6.965,350 2.307,351 3.536,352 2.874,353 5.34,354 3.273,355 2.296,356 2.822,357 0.4,358 6.809,359 2.234,360 3.518,361 2.464,362 5.068,363 3.124,364 2.174,365 2.647,367 6.047,368 2.017,369 3.314,370 2.186,371 4.926,372 2.828,373 1.867,374 2.521,376 5.516,377 1.782,378 3.009,379 2.125,380 4.446,381 2.618,382 1.693,383 2.227,385 4.366,386 1.555,387 2.82,388 2.062,389 4.041,390 2.447,391 1.533,392 1.948,394 3.523,395 1.4,396 2.725,397 1.929,398 3.907,399 2.319,400 1.414,401 1.765,403 3.368,404 1.217,405 2.575,406 1.494,407 3.697,408 2.251,409 1.356,410 1.58,411 3.08,412 1.203,413 2.308,414 1.342,415 3.457,416 2.085,417 1.154,418 1.296,419 2.637,420 1.064,421 2.199,422 1.256,423 3.247,424 1.952,425 1,426 1,427 2.136,428 0.946,429 2,430 0.868,431 3.194,432 1.503,433 0.571,434 0.716,435 1.385,436 0.527,437 1.723,438 0.794,439 2.905,440 1.345,441 0.383,442 0.507,443 0.771,444 0.363,445 16,446 0.471,447 0.729,448 0.021,449 43.5,450 1.279,451 20.5,452 0.603,453 23,454 0.676,455 29.189,456 0.859,457 37.4,458 0.634,459 36.241,460 1.066,461 8.856,462 0.26,463 7.673,464 0.226,465 0.115,467 0.306,470 1,471 0.748,472 1.32,473 0.63,474 1.102,475 0.586,476 0.954,477 1.008,478 1.076,479 0.783,480 0.934,481 0.635,482 0.91,483 1.065,484 1.051,485 0.919,486 0.94,487 0.822,488 0.936,489 0.86,490 0.942,491 0.885,492 0.975,493 0.793,494 1.005,495 0.607,496 0.749,497 0.766,498 0.917,499 0.512,500 0.902,501 0.95,502 0.909,503 0.777,504 0.895,505 0.762,506 0.912,507 0.889,508 0.869,509 0.835,510 0.847,511 0.801,512 0.917,513 0.923,514 1.137,515 1.037,516 1.107,517 0.996,518 1.072,519 6.5,520 0.252,521 3.333,522 1.688,523 1.942,524 0.847,525 0.889,526 0.628,527 0.447,528 0.319,529 17155,530 54173,531 2.077,532 42.4,534 20,536 1,537 2,540 2,542 1.763,543 1.962,544 3.68,545 0.235,550 104.576,551 1.772,552 4.002,553 4.991,554 5.408,555 5.408,556 5.408,557 3.253,558 4.771,559 5.051,560 3.881,561 2176.99,562 8.882,563 34026.1,568 347.076,569 1.333,570 5.026,571 0.176,572 0.007,573 0.067,574 0.032,575 0.042,576 0.018,577 0.018,578 0.013,579 0.01,580 0.008,581 0.39,582 0.33,583 0.88,584 0.962,585 183.346,586 -0.062,587 -0.212,588 0.03,589 -0.1,590 -0.042,591 -0.021,592 -0.092,593 -0.051,594 0.002,595 0.018,596 0.023,597 0.01,598 -0.06,599 -0.05,600 0.006,601 0.02,602 0.057,603 0.012,604 -0.019,605 -0.011,606 -0.01,607 -0.013,608 -0.027,609 -0.02,610 0.126,611 0.083,612 0.111,613 0.054,614 0.107,615 0.112,616 -0.047,617 -0.014,618 0.05,619 0.055,620 -0.035,621 0.058,622 0.054,623 0.037,624 0.044,625 0.105,626 0.051,627 0.041,628 -0.084,629 -0.148,630 -0.064,631 -0.132,632 -0.047,633 -0.106,634 2.176,635 5.52,636 0.647,637 43.765,638 1.018,639 1.135,640 2.83,641 8.01,642 0.671,643 3.638,644 3.932,645 4.174,646 4.407,647 4.682,648 4.745,649 4.898,650 5.056,651 5.176,652 5.231,653 7.881,654 0.648,655 485.99,656 3.638,657 5.165,658 5.999,659 6.86,660 7.715,661 8.584,662 9.45,663 10.325,664 11.197,665 12.077,666 8.5,669 1,673 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,699 1,703 1,704 2,705 59,706 19,707 2,708 37,710 62,711 24,712 14,713 7,714 5,715 3,717 4,718 5,719 1,727 1,729 17,730 7,733 2,734 1,737 1,738 1,740 1,745 1,747 25,748 9,749 2,750 10,751 1,755 5,760 0.75,761 3,774 1,779 4,783 1,790 1,794 1,795 1,800 1,802 1,803 3,808 1,809 1,811 34,817 7,818 2,819 2,822 1,832 2,833 5.1,836 1,837 1,838 1,841 17.333,842 10.469,843 7.611,844 3.466,847 3.428,848 1.428,849 0.979,850 8.298,851 11.435,852 3.882,853 4.443,854 4.999,855 5.558,856 6.177,857 6.501,858 6.928,859 7.391,860 7.808,861 8.012,862 1,863 52,864 12.575,865 5.326,866 7.9,867 23.634,868 18.979,869 2.4,870 81.611,874 270.735,875 139,876 72.717,877 39.149,878 47.145,879 14.96,881 139,882 357.029,883 87.677,885 56.406,886 56.857,887 86.192,888 68.849,889 17.288,890 258.964,891 39.149,892 270.735,893 211.717,894 62.105,895 39.149,897 262.153,898 59.687,899 11,900 72.537,901 96.132,902 82.196,904 285.695,905 119.862,906 178.149,909 270.735,910 57.757,911 68.6,912 36.022,913 150.591,914 270.735,915 134.822,916 178.149,918 0.572,919 0.33,920 0.17,921 0.099,922 22,923 10,924 0.145,925 9,926 1,927 1.091,928 4.516,929 309.677,930 0.091,931 22,932 168.974,936 24.361,937 11.581,938 6.435,939 1.258,940 134.822,941 9.208,942 8.649,946 1.49,948 36.022,949 583.706,950 47.5,951 3.516,954 12.051,955 1.188,957 -0.366,960 60.047,961 66.971,962 0.301,963 0.68,964 0.848,965 0.919,966 0.919,967 0.919,968 5.107,969 1.693,970 5.964,971 5.516,972 4.615,973 5.13,974 2.012,975 6.732,976 4.485,977 6.29,978 1.533,979 7.495,980 4.366,981 4.111,982 4.945,983 0.325,984 7.535,985 3.918,986 7.583,987 1.414,988 9.125,989 3.523,990 6.168,991 7.319,992 1.826,993 10.626,994 5.935,995 8.912,996 1.356,997 10.813,998 3.368,999 6.479,1000 7.982,1001 0.268,1002 12.263,1003 6.191,1004 10.276,1005 1.154,1006 12.54,1007 3.08,1008 7.986,1009 9.841,1010 1.742,1011 14.865,1012 7.661,1013 11.663,1014 1,1015 14.293,1016 2.637,1017 8.694,1018 10.914,1019 0.188,1020 16.873,1021 8.322,1022 13.07,1023 0.571,1024 16.065,1025 2.136,1026 9.967,1027 12.562,1028 1.707,1029 19.301,1030 9.561,1031 3.141,1032 0.383,1033 17.853,1034 1.385,1035 10.877,1036 13.844,1037 0.125,1038 21.484,1039 10.432,1040 2.839,1041 10.55,1042 19.653,1043 0.771,1044 12.05,1045 15.4,1046 1.708,1047 23.849,1048 11.573,1049 2.682,1050 8.858,1051 21.463,1052 4.514,1053 13.062,1054 16.788,1055 0.082,1056 26.115,1057 12.553,1058 2.521,1059 8.306,1060 23.281,1061 3.872,1062 14.195,1063 18.306,1064 1.735,1065 28.461,1066 13.656,1067 2.296,1068 6.965,1069 25.106,1070 3.519,1071 15.26,1072 19.748,1073 0.054,1074 30.768,1075 14.692,1076 2.174,1077 6.809,1078 26.938,1079 2.973,1080 16.38,1081 21.251,1082 1.783,1083 33.11,1084 15.785,1085 1.867,1086 6.047,1087 28.775,1088 2.822,1089 17.473,1090 22.721,1091 0.035,1092 35.438,1093 16.851,1094 16431,1095 29467,1096 24.849,1097 39.563,1098 54.543,1099 56.393,1100 55.64,1101 54.075,1102 53.92,1103 68.647,1104 7.957,1105 149.9,1106 50.172,1107 5.578,1108 5.49,1109 6.39,1110 5.212,1111 5.141,1112 7.514,1113 2.117,1114 17.491,1115 5.039,1116 16.082,1117 1.474,1118 1.524,1119 1.504,1120 1.461,1121 1.457,1122 1.855,1123 0.215,1124 4.051,1125 1.356,1126 4.085,1127 4.116,1128 4.077,1129 3.984,1130 8.201,1131 3.998,1132 3.89,1133 3.912,1134 3.982,1135 3.82,1136 7.43,1137 3.82,1138 3.821,1139 3.884,1140 3.698,1141 3.61,1142 5.088,1143 3.621,1144 3.643,1145 3.683,1146 3.588,1147 3.462,1148 4.858,1149 3.481,1150 3.539,1151 3.588,1152 3.433,1153 3.341,1154 4.692,1155 3.348,1156 3.366,1157 3.423,1158 3.333,1159 3.198,1160 4.638,1161 3.21,1162 3.118,1163 3.206,1164 3.237,1165 2.941,1166 4.619,1167 2.945,1168 3.111,1169 3.185,1170 3.013,1171 2.926,1172 4.368,1173 2.91,1174 0.124,1175 0.094,1176 0.178,1177 0.111,1178 0.085,1179 4.578,1180 0.122,1181 3.49,1182 0.029,1183 6.588,1184 0.285,1185 4.109,1186 0.082,1187 3.141,1188 4.514,1189 1.058,1190 10.55,1191 3.039,1192 2.013,1193 1.989,1194 2.064,1195 2.132,1196 1.292,1197 2.113,1198 1.856,1199 1.836,1200 1.976,1201 1.993,1202 1.193,1203 1.991,1204 1.754,1205 1.691,1206 1.925,1207 1.949,1208 1.069,1209 1.948,1210 1.57,1211 1.53,1212 1.776,1213 1.776,1214 1.033,1215 1.761,1216 1.504,1217 1.449,1218 1.744,1219 1.733,1220 0.825,1221 1.744,1222 1.313,1223 1.26,1224 1.513,1225 1.518,1226 0.566,1227 1.509,1228 1.153,1229 1.064,1230 1.445,1231 1.376,1232 0.499,1233 1.429,1234 1.041,1235 0.983,1236 1.27,1237 1.286,1238 0.396,1239 1.276,1240 4.317,1242 5.617,1244 7.112,1246 8.701,1248 10.342,1251 5.897,1252 13.52,1256 5.554,1257 5.913,1258 11.398,1261 2.334,1267 38.257,1268 104.576,1269 236.124,1270 294.447,1271 319.076,1272 319.076,1273 319.076,1274 70.861,1275 8.007,1276 88.61,1277 88.61,1278 24,1279 12.615,1280 4.322,1281 3.524,1282 56.733,1283 157,1284 178,1285 0.172,1286 237.63,1287 417.87,1288 571.578,1289 36201,1290 3.4,1291 23.916,1292 0.703,1293 0.567,1294 23.545,1295 19.277,1296 16.529,1297 0.447,1298 0.305,1299 10.725,1300 15.417,1301 10.537,1302 8.646,1303 16.407,1304 11.282,1305 14.513,1306 0.29,1307 0.162,1308 14.426,1309 8.098,1310 12.115,1311 0.189,1312 0.088,1313 11.715,1314 5.632,1315 9.491,1316 0.117,1317 0.047,1318 9.661,1319 3.771,1320 8.113,1321 0.076,1322 0.024,1323 8.022,1324 2.575,1325 0.271,1326 108.039,1327 0.201,1328 31.727,1329 0.466,1330 174,1331 619.122,1332 211.728,1333 590.4,1334 780.17,1335 552,1336 201,1337 533.473,1338 235.802,1339 539.07,1340 789.08,1341 507,1342 5.699}
{0 CHEMBL364623,1 1.819,2 10.4,3 3.603,4 12.979,5 97.841,6 9.12,7 0.63,8 3.822,9 3.934,10 3.602,11 3.435,12 5.006,13 3.396,14 4.297,15 4.459,16 4.027,17 3.782,18 5.494,19 3.727,20 4.439,21 4.603,22 4.037,23 3.828,24 5.648,25 3.769,26 4.482,27 4.666,28 3.977,29 3.828,30 5.681,31 3.731,32 4.471,33 4.67,34 3.896,35 3.787,36 5.697,37 3.664,38 4.378,39 4.597,40 3.99,41 3.729,42 5.514,43 3.591,44 4.165,45 4.312,46 3.67,47 3.594,48 5.407,49 3.464,50 4.068,51 4.284,52 3.243,53 3.268,54 5.158,55 3.182,56 0.065,57 0.642,58 6.143,59 3.411,60 6.148,61 3.931,62 0.241,63 1.006,64 14.318,65 5.867,66 19.843,67 7.174,68 0.337,69 1.101,70 19.646,71 6.368,72 29.941,73 6.802,74 0.367,75 1.084,76 21.274,77 7.467,78 35.072,79 8.722,80 0.468,81 1.038,82 25.289,83 7.74,84 48.118,85 8.695,86 0.372,87 0.948,88 25.498,89 8.011,90 48.504,91 8.779,92 0.307,93 0.861,94 24.736,95 7.124,96 28.167,97 6.55,98 0.22,99 0.705,100 12.356,101 4.404,102 22.221,103 5.394,104 26,105 38,106 0.318,107 0.674,108 0.773,109 0.877,110 0.877,111 0.877,112 3.266,113 0.97,114 -4.82,115 -4.73,116 -4.44,118 41.5,119 3,138 4,139 1,140 2,141 1,142 1,143 1,145 1,148 1,151 1,155 1,163 4,166 1,167 6,170 3,172 3,173 5,177 1,182 5,184 4,187 2,188 4,191 2,193 3,195 6,200 4,203 1,204 1,208 1,212 1,213 5,221 6,224 1,225 5,228 1,230 2,233 1,237 1,242 4,248 1,249 3,252 1,254 3,257 1,260 888,261 16.394,262 16.394,263 16.394,264 16.394,265 16.394,266 14.051,267 22.385,268 9.558,269 16.987,270 13.322,271 13.322,272 13.322,273 13.322,274 13.322,275 9.836,276 34.015,277 4.571,278 14.387,279 3.539,280 1.504,281 0.94,282 0.348,283 0.348,284 0.348,285 3.942,286 1,287 1,288 1,289 1,290 550,291 3,293 71.909,294 179.865,301 1.792,302 24.345,304 1,305 1,306 1,307 1,308 0.6,310 1,311 1,312 0.8,313 53.833,314 260,315 4.372,316 3.598,317 6.427,318 3.97,319 3.023,320 4.012,321 1.058,322 9.81,323 2.855,324 4.239,325 3.208,326 6.057,327 3.777,328 2.862,329 3.88,330 0.4,331 8.772,332 2.63,333 4.13,334 2.967,335 5.71,336 3.67,337 2.728,338 3.763,340 8.025,341 2.563,342 3.611,343 2.647,344 5.262,345 3.203,346 2.281,347 2.894,349 6.651,350 2.07,351 3.232,352 2.379,353 4.841,354 2.837,355 1.879,356 2.481,358 5.242,359 1.795,360 3.232,361 2.147,362 4.746,363 2.797,364 1.879,365 2.481,367 5.104,368 1.703,369 3.232,370 2.113,371 4.618,372 2.77,373 1.848,374 2.477,376 4.963,377 1.636,378 2.897,379 1.58,380 4.19,381 2.445,382 1.476,383 2.063,385 3.793,386 1.426,387 2.596,388 1.555,389 3.789,390 2.08,391 1.12,392 1.567,394 2.809,395 1.052,396 2.17,397 1.064,398 3.275,399 1.529,400 0.688,401 1.003,403 1.676,404 0.566,405 1.58,406 0.727,407 2.952,408 1.216,409 0.302,410 0.362,411 0.714,412 0.248,413 1.189,414 0.176,415 2.77,416 0.784,417 -0.117,418 -0.147,419 -0.349,420 -0.104,421 1,422 0.048,423 2.382,424 0.615,425 -0.347,426 -0.445,427 -0.757,428 -0.275,429 1,430 -0.071,431 2.352,432 0.568,433 -0.347,434 -0.445,435 -0.891,436 -0.334,437 0.707,438 -0.11,439 2.211,440 0.401,441 -0.546,442 -0.643,443 -1.314,444 -0.514,445 12.381,446 0.495,447 0.753,448 0.03,449 35,450 1.4,451 18.5,452 0.74,453 16.5,454 0.66,455 20.033,456 0.801,457 26.019,458 0.635,459 23.473,460 0.939,461 6.777,462 0.271,463 5.142,464 0.206,465 0.206,467 0.363,471 0.763,472 1.276,473 0.62,474 0.851,475 0.639,476 0.826,477 0.542,478 1.111,479 0.603,480 0.858,481 0.516,482 0.764,483 1.277,484 1.233,485 1.09,486 1.112,487 1.175,488 1.017,489 1.047,490 1.045,491 1.059,492 1.063,493 1.052,494 1.074,495 1.173,496 0.859,497 1.276,498 1.058,499 1.099,500 1.054,501 1.179,502 0.776,503 0.691,504 0.686,505 1.647,506 0.633,507 1.128,508 1.384,509 2.091,510 1.993,511 0.995,512 1.343,513 1.055,514 1.243,515 0.826,516 1.082,517 1.109,518 1.204,519 6.5,520 0.074,521 2.667,522 2.222,523 1.477,524 0.729,525 0.447,526 0.379,527 0.189,528 0.147,529 7314,530 23086,531 2.015,532 39,533 3,534 4,536 1,537 2,538 6,542 1.677,543 1.852,544 3.335,545 0.352,547 1,550 74.563,551 1.819,552 3.854,553 4.418,554 5.01,555 5.01,556 5.01,557 2.733,558 4.084,559 4.619,560 3.551,561 1065.37,562 7.967,563 13297.4,564 1,565 1,567 1,568 219.66,569 1.516,570 4.555,571 0.241,572 0.005,573 0.07,574 0.062,575 0.045,576 0.025,577 0.015,578 0.015,579 0.011,580 0.009,581 0.498,582 0.17,583 1,584 0.65,585 121.919,586 -0.09,587 -0.153,588 0.026,589 0.015,590 -0.107,591 0.015,592 0.256,593 -0.037,594 0.217,595 0.086,596 0.161,597 0.148,598 -0.197,599 -0.131,600 -0.128,601 -0.162,602 -0.178,603 -0.148,604 0.026,605 -0.049,606 -0.061,607 -0.104,608 0.03,609 -0.134,610 -0.026,611 0.128,612 -0.131,613 -0.031,614 0.058,615 -0.083,616 -0.028,617 0.168,618 0.407,619 0.474,620 -0.103,621 0.418,622 -0.089,623 -0.201,624 -0.582,625 -0.541,626 -0.001,627 -0.354,628 -0.099,629 -0.262,630 -0.131,631 -0.267,632 -0.126,633 -0.286,634 1.92,635 5.44,636 0.68,637 21.738,638 1.013,639 1.123,640 3.586,641 12.857,642 0.721,643 3.332,644 3.664,645 3.871,646 4.111,647 4.205,648 4.234,649 4.174,650 4.331,651 4.419,652 4.369,653 6.468,654 0.683,655 373.9,656 3.332,657 4.875,658 5.707,659 6.581,660 7.425,661 8.299,662 9.147,663 10.021,664 10.872,665 11.745,666 12.2,673 1,674 1,676 3,681 5,682 3,685 1,686 8,688 17,694 1,699 1,704 1,705 41,706 18,707 1,708 27,710 43,711 17,712 13,713 3,714 3,715 1,717 3,718 3,719 1,721 3,729 14,730 3,733 1,737 1,740 1,743 1,744 1,747 16,748 6,749 2,750 8,751 2,755 5,760 1,761 1,774 1,778 1,779 2,803 3,805 1,807 3,808 1,811 25,818 2,827 1,832 1,833 2.4,836 1,841 13.5,842 8.493,843 5.417,844 2.304,847 3.069,848 1.438,849 0.987,850 5.305,851 10.071,852 3.624,853 4.252,854 4.774,855 5.315,856 5.682,857 5.828,858 5.93,859 6.383,860 6.74,861 6.943,862 0.857,863 36,864 9.184,865 3.832,866 7.818,867 17.235,868 13.605,869 2.318,870 57.944,873 1,874 164.795,875 128.125,876 86.378,877 39.149,878 25.145,880 31.278,881 96.847,882 229.089,883 86.378,884 26.476,885 18.011,886 37.905,887 91.977,888 42.087,889 3.686,890 184.302,891 39.149,892 164.795,893 183.225,894 25.145,895 70.426,897 167.123,898 25.145,900 74.802,901 55.739,902 89.505,903 31.278,904 164.795,905 111.523,906 167.274,909 164.795,910 54.697,911 73.428,912 36.022,913 114.65,914 164.795,915 111.523,916 167.274,918 0.589,919 0.334,920 0.178,921 0.087,922 18,923 9,924 0.093,925 4,927 1,928 3.698,929 199.067,931 17,932 114.096,933 1,936 17.773,937 7.461,938 4.329,940 111.523,941 8.814,942 12.76,945 1.241,946 5.249,948 36.022,949 443.592,950 36.5,954 12.44,957 -0.253,960 41.538,961 46.056,962 0.339,963 0.719,964 0.825,965 0.935,966 0.935,967 0.935,968 4.854,969 1.476,970 5.707,971 4.963,972 4.344,973 4.938,974 1.27,975 6.491,976 4.196,977 6.083,978 1.12,979 7.255,980 3.793,981 4.007,982 4.796,984 7.298,985 3.784,986 7.395,987 0.688,988 8.894,989 2.809,990 5.922,991 7.13,992 1.27,993 10.361,994 5.64,995 8.736,996 0.302,997 10.584,998 1.676,999 6.33,1000 7.733,1002 11.946,1003 5.967,1004 10.103,1005 -0.117,1006 12.306,1007 0.714,1008 7.755,1009 9.567,1010 1.34,1011 14.525,1012 7.344,1013 11.487,1014 -0.347,1015 14.051,1016 -0.349,1017 8.511,1018 10.53,1020 16.461,1021 8.023,1022 12.885,1023 -0.347,1024 15.813,1025 -0.757,1026 9.737,1027 12.141,1028 1.423,1029 18.849,1030 9.2,1031 3.023,1032 -0.546,1033 17.588,1034 -0.891,1035 10.661,1036 13.29,1038 20.952,1039 10.05,1040 2.862,1041 9.81,1042 19.374,1043 -1.314,1044 11.8,1045 14.789,1046 1.51,1047 23.262,1048 11.139,1049 2.728,1050 8.772,1051 21.17,1052 4.012,1053 12.804,1054 16.037,1056 25.445,1057 12.074,1058 2.281,1059 8.025,1060 22.973,1061 3.88,1062 13.908,1063 17.477,1064 1.599,1065 27.724,1066 13.124,1067 1.879,1068 6.651,1069 24.782,1070 3.763,1071 14.951,1072 18.778,1074 29.948,1075 14.102,1076 1.879,1077 5.242,1078 26.597,1079 2.894,1080 16.04,1081 20.186,1082 1.69,1083 32.216,1084 15.136,1085 1.848,1086 5.104,1087 28.417,1088 2.481,1089 17.103,1090 21.517,1092 34.461,1093 16.136,1094 7146,1095 12872,1096 17.512,1097 29.557,1098 40.841,1099 41.779,1100 41.802,1101 40.215,1102 40.175,1103 53.967,1104 2.917,1105 115.118,1106 37.088,1107 5.213,1108 5.598,1109 5.973,1110 5.105,1111 5.023,1112 7.012,1113 2.117,1114 16.369,1115 4.855,1116 14.27,1117 1.513,1118 1.547,1119 1.548,1120 1.489,1121 1.488,1122 1.999,1123 0.108,1124 4.264,1125 1.374,1126 3.976,1127 4.007,1128 4.245,1129 3.909,1130 7.429,1131 3.892,1132 3.896,1133 3.937,1134 4.011,1135 3.819,1136 5.005,1137 3.79,1138 3.776,1139 3.798,1140 3.822,1141 3.689,1142 4.93,1143 3.678,1144 3.274,1145 3.34,1146 3.369,1147 3.086,1148 4.789,1149 3.068,1150 3.25,1151 3.328,1152 3.243,1153 3.048,1154 4.36,1155 3.052,1156 3.175,1157 3.255,1158 3.051,1159 3.009,1160 4.09,1161 3.01,1162 3.052,1163 3.138,1164 2.943,1165 2.848,1166 3.994,1167 2.846,1168 2.805,1169 2.835,1170 2.865,1171 2.662,1172 3.93,1173 2.658,1174 0.162,1175 0.133,1176 0.238,1177 0.147,1178 0.112,1179 4.372,1180 0.149,1181 3.598,1182 0.039,1183 6.427,1184 0.363,1185 3.97,1186 0.106,1187 3.023,1188 4.012,1189 1.058,1190 9.81,1191 2.855,1192 1.911,1193 1.888,1194 2.005,1195 1.998,1196 1.136,1197 2.007,1198 1.812,1199 1.764,1200 1.927,1201 1.995,1202 0.968,1203 1.977,1204 1.496,1205 1.497,1206 1.626,1207 1.652,1208 0.693,1209 1.631,1210 1.3,1211 1.244,1212 1.539,1213 1.524,1214 0.664,1215 1.549,1216 1.276,1217 1.193,1218 1.529,1219 1.5,1220 0.594,1221 1.521,1222 1.204,1223 1.129,1224 1.426,1225 1.407,1226 0.481,1227 1.458,1228 0.982,1229 0.913,1230 1.196,1231 1.248,1232 0.214,1233 1.25,1234 0.912,1235 0.857,1236 1.009,1237 1.065,1238 0.183,1239 1.114,1240 4.007,1242 5.333,1243 2.398,1244 6.83,1245 4.595,1246 8.409,1247 6.581,1248 10.029,1250 5.609,1251 6.15,1257 5.934,1267 27.997,1268 74.563,1269 158.011,1270 181.13,1271 205.395,1272 205.395,1273 205.395,1274 41.342,1275 7.002,1276 79.8,1277 108.04,1278 17,1279 12.29,1280 4.248,1281 3.392,1282 41.944,1283 98,1284 75,1285 0.21,1286 182.745,1287 306.63,1288 437.658,1289 10228,1290 2.4,1291 17.974,1292 0.719,1293 0.62,1294 18.828,1295 15.495,1296 11.919,1297 0.441,1298 0.323,1299 7.546,1300 10.799,1301 7.134,1302 5.981,1303 12.616,1304 8.732,1305 11.221,1306 0.295,1307 0.182,1308 12.26,1309 6.92,1310 8.754,1311 0.186,1312 0.098,1313 9.919,1314 4.617,1315 7.459,1316 0.124,1317 0.055,1318 8.574,1319 3.28,1320 5.106,1321 0.077,1322 0.027,1323 5.917,1324 1.762,1325 0.334,1326 81.435,1327 0.239,1328 24.483,1329 0.565,1330 130,1331 408.4,1332 184.572,1333 451.293,1334 607.48,1335 420,1336 150,1337 412.848,1338 196.512,1339 445.099,1340 647.33,1341 417,1342 8.699}
{0 CHEMBL377300,1 1.737,2 10.667,3 3.998,4 15.98,5 99.425,6 8.053,7 0.667,8 3.969,9 4.075,10 3.595,11 3.442,12 5.155,13 3.465,14 4.486,15 4.641,16 3.993,17 3.812,18 5.66,19 3.837,20 4.673,21 4.828,22 4.062,23 3.886,24 5.958,25 3.901,26 4.729,27 4.929,28 3.971,29 3.855,30 5.902,31 3.848,32 4.586,33 4.771,34 3.866,35 3.781,36 5.811,37 3.768,38 4.608,39 4.805,40 3.857,41 3.815,42 5.79,43 3.786,44 4.648,45 4.862,46 3.806,47 3.755,48 5.861,49 3.727,50 4.533,51 4.767,52 3.644,53 3.611,54 5.74,55 3.565,56 0.152,57 0.756,58 8.482,59 4.074,60 13.139,61 4.746,62 0.381,63 1.172,64 16.916,65 6.524,66 31.722,67 8.026,68 0.805,69 1.343,70 21.689,71 7.604,72 60.193,73 8.969,74 0.757,75 1.404,76 25.402,77 8.334,78 56.999,79 10.3,80 0.713,81 1.27,82 20.691,83 6.914,84 54.499,85 8.53,86 0.552,87 1.336,88 21.105,89 7.571,90 47.249,91 9.541,92 0.686,93 1.316,94 23.28,95 7.274,96 62.388,97 9.311,98 0.779,99 1.072,100 22.034,101 6.623,102 72.722,103 8.856,104 29,105 44,106 0.295,107 0.697,108 0.839,109 0.879,110 0.879,111 0.879,112 3.341,113 0.853,114 -4.07,115 -4.02,116 -3.81,118 41.3,119 3,124 1,126 1,138 3,139 2,140 3,143 1,144 1,147 1,148 3,159 1,163 3,166 2,167 3,172 5,173 2,176 3,177 8,180 1,182 1,184 3,187 2,188 5,195 2,199 2,200 3,203 1,205 1,208 3,213 6,216 1,218 1,221 4,225 5,228 2,233 3,237 6,240 3,242 1,245 1,249 2,252 1,254 1,257 1,260 1105,261 17.947,262 17.947,263 17.947,264 17.947,265 17.947,266 15.51,267 16.375,268 10.319,269 18.49,270 14.794,271 14.794,272 14.794,273 14.794,274 14.794,275 11.091,276 17.207,277 4.912,278 15.754,279 3.786,280 1.421,281 0.587,282 0.354,283 0.354,284 0.354,285 4.033,287 1,288 1,289 1,290 624,291 3.317,293 114.081,294 133.657,297 206.551,301 1.654,302 35.117,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 60.5,314 288,315 4.697,316 3.478,317 6.894,318 4.216,319 3.265,320 4.663,321 0.86,322 11.511,323 3.104,324 4.597,325 3.344,326 6.654,327 4.109,328 3.144,329 4.557,330 0.86,331 10.635,332 3.03,333 3.908,334 2.899,335 5.827,336 3.486,337 2.563,338 3.39,340 8.054,341 2.356,342 3.704,343 2.687,344 5.658,345 3.29,346 2.363,347 3.132,349 7.362,350 2.18,351 3.391,352 2.489,353 5.161,354 3.082,355 2.148,356 2.762,358 6.014,359 1.996,360 3.235,361 2.206,362 4.821,363 2.904,364 1.961,365 2.545,367 5.214,368 1.845,369 3.199,370 2.004,371 4.72,372 2.785,373 1.814,374 2.354,376 5.129,377 1.753,378 3.104,379 1.916,380 4.657,381 2.641,382 1.68,383 2.229,385 4.833,386 1.607,387 2.875,388 1.775,389 4.465,390 2.391,391 1.479,392 2.012,394 4.072,395 1.341,396 2.433,397 1.233,398 3.592,399 1.997,400 1.074,401 1.411,403 2.515,404 0.986,405 2.068,406 1.095,407 3.52,408 1.558,409 0.625,410 0.881,411 1.684,412 0.574,413 1.674,414 0.965,415 3.182,416 1.409,417 0.536,418 0.596,419 1.269,420 0.463,421 1.614,422 0.611,423 2.995,424 1.238,425 0.348,426 0.424,427 0.864,428 0.305,429 1.073,430 0.122,431 2.563,432 0.635,433 -0.28,434 -0.352,435 -0.723,436 -0.251,437 0.876,438 -0.085,439 2.351,440 0.548,441 -0.374,442 -0.453,443 -0.923,444 -0.342,445 12.386,446 0.459,447 0.822,448 0.03,449 35.25,450 1.306,451 17,452 0.63,453 18.25,454 0.676,455 22.503,456 0.833,457 29.614,458 0.644,459 26.603,460 0.985,461 7.059,462 0.261,463 5.877,464 0.218,465 0.171,467 0.436,470 1,471 0.8,472 1.164,473 0.708,474 1.113,475 0.736,476 0.933,477 0.903,478 1.076,479 0.679,480 0.96,481 0.694,482 0.797,483 1.116,484 1.081,485 0.972,486 1.018,487 1.038,488 0.972,489 1.229,490 1.071,491 0.947,492 0.944,493 1.012,494 0.892,495 1.104,496 1.029,497 1.069,498 0.969,499 1.051,500 0.995,501 1.025,502 1.204,503 1.01,504 1.114,505 1.236,506 1.07,507 1.159,508 1.065,509 1.08,510 0.979,511 1.144,512 1,513 0.938,514 0.9,515 0.978,516 0.852,517 1.049,518 0.897,519 6,520 0.139,521 3.333,522 2.799,523 1.743,524 0.896,525 0.67,526 0.505,527 0.311,528 0.2,529 8592,530 25146,531 2.075,532 41.3,533 3,534 6,535 1,536 1,537 2,538 3,539 3,542 1.702,543 1.906,544 3.355,545 0.304,547 1,550 79.908,551 1.737,552 4.102,553 4.936,554 5.17,555 5.17,556 5.17,557 2.883,558 4.533,559 4.724,560 3.526,561 1237.64,562 8.21,563 15509,565 1,567 1,568 254.084,569 1.506,570 4.668,571 0.2,572 0.009,573 0.076,574 0.064,575 0.044,576 0.025,577 0.019,578 0.015,579 0.011,580 0.01,581 0.472,582 0.33,583 1,584 1.155,585 132.838,586 -0.059,587 -0.103,588 0.044,589 -0.063,590 -0.111,591 0.001,592 -0.029,593 -0.092,594 0.187,595 0.042,596 0.015,597 0.147,598 0.049,599 -0.058,600 -0.038,601 -0.042,603 -0.063,604 -0.067,605 -0.043,606 0.059,607 0.039,608 -0.014,609 0.069,610 -0.013,611 0.062,612 -0.118,613 0.002,614 -0.032,615 -0.067,616 -0.05,617 -0.084,618 -0.068,619 -0.107,620 -0.096,621 -0.098,622 -0.101,623 -0.037,624 -0.087,625 -0.031,626 -0.041,627 -0.055,628 0.107,629 0.125,630 0.05,631 0.101,632 0.054,633 0.077,634 2.122,635 6.836,636 0.667,637 23.61,638 1.021,639 1.137,640 2.843,641 8.082,642 0.661,643 3.434,644 3.807,645 4.111,646 4.431,647 4.644,648 4.745,649 4.883,650 5.056,651 5.075,652 5.153,653 6.212,654 0.648,655 370.42,656 3.434,657 5.004,658 5.878,659 6.786,660 7.681,661 8.594,662 9.498,663 10.412,664 11.321,665 12.236,666 8.7,674 2,676 2,679 1,680 3,681 5,682 2,683 1,686 6,688 20,703 2,704 1,705 46,706 20,707 1,708 30,710 49,711 19,712 14,713 4,714 2,717 4,718 6,721 3,727 1,729 14,730 5,744 1,745 1,747 19,748 6,749 2,750 8,755 4,760 0.5,761 3,763 1,775 2,778 2,779 2,782 2,801 1,803 2,807 3,809 1,811 27,816 1,817 1,819 2,821 1,832 1,833 6.5,834 1,838 2,841 14.167,842 9.276,843 5.778,844 2.678,847 4.102,848 1.526,849 0.969,850 4.598,851 11.9,852 3.714,853 4.425,854 5.103,855 5.788,856 6.315,857 6.687,858 7.118,859 7.595,860 7.785,861 8.174,862 1,863 44,864 10.005,865 4.363,866 7.92,867 18.636,868 15.259,869 2.42,870 65.333,873 1,874 200.109,875 114.389,876 51.398,878 64.683,879 14.96,881 114.389,882 264.792,883 66.358,884 26.476,885 4.592,886 80.16,887 45.22,888 73.934,889 38.591,890 176.567,892 200.109,893 165.787,894 79.643,897 179.756,898 57.313,899 42.683,900 57.636,901 74.702,902 33.449,904 215.069,905 116.081,906 114.389,909 200.109,910 41.818,911 73.734,912 16.786,913 113.092,914 200.109,915 131.041,916 114.389,918 0.594,919 0.345,920 0.192,921 0.107,922 23,923 11,924 0.102,925 5,926 2,927 1.222,928 3.805,929 240.336,930 0.222,931 18,932 128.382,936 17.922,937 6.926,938 3.296,939 1.74,940 113.092,941 8.071,942 8.316,943 3.093,946 2.008,948 59.469,949 445.539,950 40,960 46.971,961 52.283,962 0.314,963 0.743,964 0.894,965 0.936,966 0.936,967 0.936,968 4.97,969 1.68,970 5.894,971 5.129,972 4.489,973 5.112,974 1.376,975 6.758,976 4.368,977 6.224,978 1.479,979 7.488,980 4.833,981 4.205,982 5.13,984 7.748,985 4.043,986 7.567,987 1.074,988 9.181,989 4.072,990 6.133,991 7.472,992 1.159,993 10.888,994 5.912,995 8.951,996 0.625,997 10.93,998 2.515,999 6.648,1000 8.329,1002 12.718,1003 6.387,1004 10.368,1005 0.536,1006 12.718,1007 1.684,1008 8.087,1009 10.171,1010 0.963,1011 15.389,1012 7.777,1013 11.811,1014 0.348,1015 14.532,1016 1.269,1017 8.965,1018 11.41,1020 17.569,1021 8.618,1022 13.273,1023 -0.28,1024 16.367,1025 0.864,1026 10.225,1027 13.06,1028 0.787,1029 20.078,1030 9.834,1031 3.265,1032 -0.374,1033 18.217,1034 -0.723,1035 11.267,1036 14.468,1038 22.401,1039 10.837,1040 3.144,1041 11.511,1042 20.081,1043 -0.923,1044 12.462,1045 16.043,1046 0.634,1047 24.853,1048 11.989,1049 2.563,1050 10.635,1051 21.954,1052 4.663,1053 13.575,1054 17.522,1056 27.234,1057 13.061,1058 2.363,1059 8.054,1060 23.836,1061 4.557,1062 14.749,1063 19.069,1064 0.504,1065 29.667,1066 14.192,1067 2.148,1068 7.362,1069 25.725,1070 3.39,1071 15.893,1072 20.577,1074 32.073,1075 15.293,1076 1.961,1077 6.014,1078 27.619,1079 3.132,1080 17.061,1081 22.114,1082 0.395,1083 34.501,1084 16.417,1085 1.814,1086 5.214,1087 29.517,1088 2.762,1089 18.218,1090 23.635,1092 36.918,1093 17.53,1094 8254,1095 14278,1096 19.709,1097 30.415,1098 46.328,1099 47.189,1100 48.027,1101 45.947,1102 45.999,1103 61.914,1104 3.44,1105 138.311,1106 43.083,1107 5.528,1108 5.478,1109 6.421,1110 5.318,1111 5.265,1112 7.663,1113 1.72,1114 18.834,1115 5.104,1116 15.066,1117 1.544,1118 1.573,1119 1.601,1120 1.532,1121 1.533,1122 2.064,1123 0.115,1124 4.61,1125 1.436,1126 4.156,1127 4.19,1128 4.131,1129 4.041,1130 8.201,1131 4.056,1132 4.079,1133 4.12,1134 4.053,1135 3.929,1136 6.451,1137 3.957,1138 3.631,1139 3.677,1140 3.507,1141 3.424,1142 5.167,1143 3.431,1144 3.505,1145 3.546,1146 3.426,1147 3.359,1148 4.92,1149 3.365,1150 3.349,1151 3.417,1152 3.256,1153 3.142,1154 4.651,1155 3.165,1156 3.085,1157 3.164,1158 2.953,1159 2.86,1160 4.474,1161 2.869,1162 2.99,1163 3.06,1164 2.899,1165 2.81,1166 4.12,1167 2.815,1168 2.951,1169 3.025,1170 2.736,1171 2.75,1172 4.058,1173 2.736,1174 0.157,1175 0.116,1176 0.23,1177 0.141,1178 0.109,1179 4.697,1180 0.155,1181 3.478,1182 0.029,1183 6.894,1184 0.384,1185 4.216,1186 0.103,1187 3.265,1188 4.663,1189 0.86,1190 11.511,1191 3.104,1192 1.92,1193 1.905,1194 1.978,1195 2.063,1196 1.125,1197 2.026,1198 1.777,1199 1.735,1200 1.87,1201 1.973,1202 1.067,1203 1.942,1204 1.631,1205 1.59,1206 1.837,1207 1.856,1208 0.985,1209 1.854,1210 1.605,1211 1.547,1212 1.806,1213 1.792,1214 0.886,1215 1.799,1216 1.493,1217 1.438,1218 1.689,1219 1.677,1220 0.725,1221 1.693,1222 1.057,1223 1.001,1224 1.367,1225 1.331,1226 0.464,1227 1.342,1228 0.989,1229 0.926,1230 1.263,1231 1.234,1232 0.342,1233 1.233,1234 0.919,1235 0.844,1236 1.239,1237 1.172,1238 0.324,1239 1.205,1240 4.111,1242 5.468,1243 3.045,1244 7.008,1245 5.476,1246 8.639,1247 7.627,1248 10.322,1250 5.339,1252 14.836,1255 9.419,1256 0.152,1258 11.394,1260 -0.597,1267 29.828,1268 79.908,1269 188.7,1270 227.064,1271 237.819,1272 237.819,1273 237.819,1274 49.96,1275 7.798,1276 84.67,1277 84.67,1278 22,1279 12.749,1280 4.392,1281 3.459,1282 40.178,1283 99,1284 105,1285 0.199,1286 180.396,1287 299.54,1288 431.927,1289 26295,1290 2.2,1291 19.129,1292 0.708,1293 0.561,1294 18.259,1295 15.155,1296 12.936,1297 0.431,1298 0.284,1299 8.357,1300 12.22,1301 8.1,1302 6.732,1303 12.508,1304 8.532,1305 12.287,1306 0.279,1307 0.148,1308 11.866,1309 6.53,1310 10.227,1311 0.17,1312 0.071,1313 9.604,1314 4.271,1315 8.849,1316 0.107,1317 0.036,1318 8.462,1319 3.007,1320 7.175,1321 0.07,1322 0.019,1323 6.829,1324 1.933,1325 0.309,1326 82.673,1327 0.225,1328 25.677,1329 0.556,1330 148,1331 525,1332 169.761,1333 471.776,1334 645.59,1335 442,1336 178,1337 487.218,1338 201.614,1339 480.361,1340 710.57,1341 451,1342 5}
{0 CHEMBL379218,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,118 44.9,119 1,120 1,124 1,126 1,138 9,139 4,140 1,141 2,142 1,148 1,156 1,157 1,158 1,161 1,163 13,167 4,172 3,173 16,175 1,176 1,177 7,179 1,180 1,182 3,184 12,186 1,188 5,193 4,195 5,197 2,200 7,205 4,208 3,211 3,213 6,215 1,216 1,218 3,221 3,223 2,224 1,225 3,228 1,230 1,233 4,235 1,236 1,237 3,240 1,242 2,245 7,247 2,249 2,254 2,257 9,259 2,260 1140,261 18.516,262 18.516,263 18.516,264 18.516,265 18.516,266 15.922,267 11.017,268 11.088,269 18.793,270 14.842,271 14.842,272 14.842,273 14.842,274 14.842,275 11.035,276 9.41,277 5.322,278 15.279,279 4.168,280 2.027,281 0.98,282 0.439,283 0.383,284 0.383,285 4.04,287 1,288 1,289 1,290 708,291 3.082,293 66.035,294 258.152,297 112.937,301 1.901,302 16.253,304 1,305 1,306 1,307 1,308 0.6,309 0.5,310 1,311 1,312 0.87,313 57,314 321,315 4.558,316 3.148,317 6.522,318 4.089,319 3.103,320 4.51,321 0.86,322 10.231,323 3.059,324 4.184,325 2.981,326 6.117,327 3.779,328 2.802,329 3.816,331 8.979,332 2.739,333 3.927,334 2.815,335 5.492,336 3.615,337 2.626,338 3.455,340 7.41,341 2.599,342 3.686,343 2.599,344 5.309,345 3.3,346 2.353,347 3.098,349 6.836,350 2.216,351 3.314,352 2.205,353 4.952,354 3.058,355 2.084,356 2.648,358 5.447,359 2.026,360 3.253,361 2.012,362 4.792,363 2.848,364 1.878,365 2.357,367 5.404,368 1.818,369 2.968,370 1.623,371 4.355,372 2.481,373 1.521,374 2.167,376 4.156,377 1.458,378 2.815,379 1.492,380 4.01,381 2.397,382 1.405,383 1.922,385 3.18,386 1.392,387 2.703,388 1.275,389 3.586,390 2.193,391 1.233,392 1.795,394 3.019,395 1.181,396 2.571,397 1.111,398 3.486,399 2.041,400 1.084,401 1.605,403 2.546,404 1.034,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,411 2.136,412 1,413 2.111,414 0.986,415 3.223,416 1.642,417 0.654,418 0.939,419 1.552,420 0.645,421 1.715,422 0.714,423 3.098,424 1.467,425 0.574,426 0.638,427 1.347,428 0.507,429 1.053,430 0.08,431 2.629,432 0.786,433 -0.187,434 -0.217,435 -0.455,436 -0.182,437 1.01,438 -0.208,439 2.514,440 0.631,441 -0.353,442 -0.461,443 -0.856,444 -0.345,445 12.933,446 0.479,447 0.571,448 0.021,449 37.25,450 1.38,451 20.5,452 0.759,453 16.75,454 0.62,455 19.934,456 0.738,457 27.867,458 0.569,459 25.777,460 0.955,461 7.475,462 0.277,463 5.712,464 0.212,465 0.07,467 0.309,471 0.899,472 1.021,473 0.817,474 0.944,475 1.072,476 0.88,477 1.154,478 1.117,479 0.91,480 1.003,481 0.977,482 0.945,483 1.128,484 1.059,485 1.091,486 1.082,487 1.077,488 1.087,489 1.183,490 1,491 1.022,492 1.002,493 1.011,494 1,495 1.022,496 1.081,497 0.974,498 1.064,499 1.01,500 1.021,501 1.371,502 1.093,503 1.056,504 1.072,505 1.268,506 1.044,507 1.275,508 0.887,509 0.986,510 0.898,511 1.104,512 0.909,513 0.839,514 0.978,515 0.937,516 0.981,517 0.847,518 0.974,519 5,520 0.129,521 2.667,522 1.417,523 1.142,524 0.663,525 0.415,526 0.333,527 0.152,528 0.143,529 10189,530 24084,531 2.142,532 44.9,534 12,536 2,537 3,538 3,539 2,542 1.696,543 2.051,544 3.544,545 0.872,546 1,547 1,550 70.906,551 1.447,552 3.587,553 4.634,554 5.176,555 5.232,556 5.232,557 2.967,558 4.459,559 4.728,560 3.729,561 1308.79,562 8.18,563 17472.8,565 1,567 1,568 275.121,569 1.218,570 4.706,571 0.167,572 0.007,573 0.065,574 0.036,575 0.035,576 0.021,577 0.014,578 0.012,579 0.006,580 0.007,581 0.369,582 0.33,583 1,584 0.454,585 136.221,586 0.02,587 0.112,588 0.046,589 0.055,590 -0.126,591 0.055,592 -0.092,593 -0.059,594 0.003,595 -0.006,596 -0.057,597 0.007,598 0.027,599 -0.044,600 -0.137,601 -0.1,602 -0.024,603 -0.131,604 -0.093,605 -0.055,606 -0.024,607 -0.018,608 -0.059,609 -0.014,610 -0.024,611 -0.116,612 0.008,613 -0.08,614 0.043,615 -0.038,616 -0.059,617 -0.128,618 -0.048,619 -0.104,620 -0.04,621 -0.082,622 -0.014,623 0.086,624 0.039,625 0.055,626 -0.017,627 0.053,628 0.203,629 -0.01,630 0.052,631 -0.001,632 0.156,633 0.007,634 1.402,635 2.392,636 0.778,637 26.617,638 0.994,639 1.121,640 2.351,641 5.529,642 0.68,643 3.434,644 3.738,645 3.989,646 4.234,647 4.431,648 4.431,649 4.575,650 4.691,651 4.7,652 4.754,653 7.121,654 0.644,655 358.48,656 3.434,657 4.963,658 5.802,659 6.666,660 7.52,661 8.388,662 9.25,663 10.121,664 10.987,665 11.861,666 8.2,667 1,674 1,676 2,680 2,681 11,682 2,683 1,686 5,688 22,703 1,705 49,706 22,707 2,708 30,710 52,711 22,712 18,713 4,714 8,717 4,718 5,721 1,727 2,729 18,730 4,744 1,747 22,748 4,749 3,750 5,755 4,760 0.75,761 1,771 1,773 1,778 1,779 3,782 1,797 1,803 3,807 1,811 27,812 1,817 2,819 1,821 1,833 2,838 1,841 13.167,842 8.9,843 5.917,844 2.817,847 4.037,848 1.536,849 1.013,850 5.079,851 11.562,852 3.738,853 4.36,854 4.967,855 5.569,856 6.099,857 6.345,858 6.814,859 7.251,860 7.491,861 7.833,862 0.875,863 39,864 9.933,865 4.168,866 7.574,867 19.228,868 15.774,869 2.074,870 56,873 1,874 223.651,875 141.607,876 83.009,878 11,881 141.607,882 234.651,883 83.009,884 8.825,885 40.024,886 85.286,887 56.991,888 65.275,889 2.757,890 200.109,892 223.651,893 224.616,894 11,897 200.109,898 34.542,900 85.751,901 105.416,902 33.449,904 223.651,905 94.009,906 141.607,909 223.651,910 29.401,911 112.206,912 16.663,913 77.346,914 223.651,915 94.009,916 141.607,918 0.577,919 0.331,920 0.178,921 0.096,922 20,923 8,924 0.115,925 6,926 1,927 1.095,928 4.061,929 224.352,930 0.095,931 21,932 124.382,936 17.564,937 7.808,938 4.12,939 2.076,940 77.346,941 21.95,942 8.598,943 3.015,946 5.077,948 49.56,949 459.267,950 41,960 48.687,961 54.939,962 0.258,963 0.639,964 0.825,965 0.922,966 0.932,967 0.932,968 4.945,969 1.405,970 5.765,971 4.156,972 4.419,973 5.047,974 0.908,975 6.532,976 4.366,977 6.147,978 1.233,979 7.292,980 3.18,981 3.892,982 4.745,984 7.322,985 3.829,986 7.44,987 1.084,988 8.917,989 3.019,990 5.969,991 7.273,992 0.739,993 10.409,994 5.875,995 8.772,996 1,997 10.601,998 2.546,999 6.275,1000 7.851,1002 12.058,1003 6.174,1004 10.136,1005 0.654,1006 12.324,1007 2.136,1008 7.793,1009 9.808,1010 0.593,1011 14.635,1012 7.669,1013 11.526,1014 0.574,1015 14.074,1016 1.552,1017 8.5,1018 10.831,1020 16.652,1021 8.369,1022 12.935,1023 -0.187,1024 15.846,1025 1.347,1026 9.777,1027 12.53,1028 0.469,1029 19.049,1030 9.628,1031 3.103,1032 -0.353,1033 17.633,1034 -0.455,1035 10.685,1036 13.787,1038 21.228,1039 10.527,1040 2.802,1041 10.231,1042 19.432,1043 -0.856,1044 11.857,1045 15.367,1046 0.366,1047 23.563,1048 11.684,1049 2.626,1050 8.979,1051 21.243,1052 4.51,1053 12.866,1054 16.744,1056 25.813,1057 12.682,1058 2.353,1059 7.41,1060 23.061,1061 3.816,1062 13.995,1063 18.273,1064 0.283,1065 28.128,1066 13.797,1067 2.084,1068 6.836,1069 24.887,1070 3.455,1071 15.054,1072 19.71,1074 30.411,1075 14.845,1076 1.878,1077 5.447,1078 26.718,1079 3.098,1080 16.168,1081 21.219,1082 0.217,1083 32.721,1084 15.946,1085 1.521,1086 5.404,1087 28.555,1088 2.648,1089 17.254,1090 22.687,1092 35.021,1093 17.019,1094 9503,1095 14739,1096 20.572,1097 33.33,1098 45.076,1099 44.903,1100 45.31,1101 44.601,1102 44.634,1103 60.899,1104 1.72,1105 124.484,1106 43.349,1107 5.452,1108 5.148,1109 6.324,1110 5.149,1111 5.103,1112 7.51,1113 1.72,1114 16.757,1115 5.059,1116 9.54,1117 1.503,1118 1.497,1119 1.51,1120 1.487,1121 1.488,1122 2.03,1123 0.057,1124 4.149,1125 1.445,1126 4.123,1127 4.16,1128 4.088,1129 4.034,1130 5.096,1131 4.042,1132 3.932,1133 3.967,1134 3.856,1135 3.866,1136 5.023,1137 3.858,1138 3.841,1139 3.877,1140 3.794,1141 3.716,1142 4.909,1143 3.731,1144 3.574,1145 3.639,1146 3.448,1147 3.407,1148 4.735,1149 3.407,1150 3.401,1151 3.464,1152 3.299,1153 3.254,1154 4.399,1155 3.255,1156 3.061,1157 3.131,1158 2.932,1159 2.901,1160 4.296,1161 2.902,1162 2.983,1163 3.062,1164 2.838,1165 2.802,1166 3.905,1167 2.798,1168 2.854,1169 2.939,1170 2.687,1171 2.735,1172 3.753,1173 2.715,1174 0.152,1175 0.105,1176 0.217,1177 0.136,1178 0.103,1179 4.558,1180 0.15,1181 3.148,1182 0.029,1183 6.522,1184 0.341,1185 4.089,1186 0.102,1187 3.103,1188 4.51,1189 0.86,1190 10.231,1191 3.059,1192 1.988,1193 1.969,1194 2.067,1195 2.062,1196 1.258,1197 2.063,1198 1.924,1199 1.894,1200 2.055,1201 2.013,1202 1.213,1203 2.03,1204 1.735,1205 1.707,1206 1.849,1207 1.87,1208 0.967,1209 1.866,1210 1.544,1211 1.484,1212 1.765,1213 1.772,1214 0.899,1215 1.761,1216 1.49,1217 1.415,1218 1.697,1219 1.736,1220 0.733,1221 1.733,1222 1.05,1223 1.006,1224 1.306,1225 1.289,1226 0.496,1227 1.293,1228 0.965,1229 0.894,1230 1.231,1231 1.222,1232 0.249,1233 1.243,1234 0.886,1235 0.821,1236 1.181,1237 1.134,1238 0.218,1239 1.143,1240 4.111,1242 5.416,1243 2.398,1244 6.911,1245 4.727,1246 8.488,1247 6.804,1248 10.11,1250 2.019,1254 6.214,1256 1.226,1258 5.892,1260 -0.069,1267 31.542,1268 70.906,1269 175.783,1270 227.082,1271 253.611,1272 256.366,1273 256.366,1274 36.184,1275 7.525,1276 76.82,1277 76.82,1278 23,1279 12.403,1280 4.524,1281 3.585,1282 40.45,1283 116,1284 112,1285 0.167,1286 194.128,1287 322.51,1288 465.432,1289 20952,1291 18.64,1292 0.69,1293 0.564,1294 18.64,1295 15.222,1296 13.187,1297 0.44,1298 0.3,1299 8.921,1300 12.815,1301 8.673,1302 7.231,1303 13.187,1304 9.013,1305 11.767,1306 0.287,1307 0.165,1308 11.767,1309 6.751,1310 9.831,1311 0.185,1312 0.087,1313 9.831,1314 4.596,1315 8.13,1316 0.12,1317 0.046,1318 8.13,1319 3.152,1320 6.568,1321 0.079,1322 0.025,1323 6.568,1324 2.103,1325 0.269,1326 81.725,1327 0.22,1328 26.422,1329 0.44,1330 142,1331 362.671,1332 151.399,1333 360.498,1334 504.89,1335 340,1336 165,1337 381.652,1338 175.176,1339 391.422,1340 565.42,1341 368,1342 5}
{0 CHEMBL384304,1 1.968,2 12.033,3 1.658,4 2.749,5 109.44,6 8.657,7 0.375,8 4.056,9 4.16,10 3.858,11 3.537,12 5.251,13 3.538,14 4.617,15 4.777,16 4.158,17 3.908,18 5.995,19 3.907,20 4.88,21 5.061,22 4.271,23 4.064,24 6.262,25 4.058,26 4.97,27 5.157,28 4.23,29 4.054,30 6.454,31 4.03,32 4.944,33 5.176,34 4.081,35 3.955,36 6.289,37 3.925,38 4.789,39 5.011,40 4.025,41 3.819,42 6.221,43 3.798,44 4.649,45 4.869,46 3.851,47 3.69,48 6.013,49 3.657,50 4.55,51 4.811,52 3.677,53 3.553,54 5.847,55 3.48,56 0.25,57 0.925,58 11.052,59 4.708,60 37.82,61 5.191,62 0.752,63 1.413,64 22.484,65 8.115,66 88.598,67 9.215,68 1.11,69 1.841,70 31.381,71 9.87,72 161.414,73 11.228,74 1.469,75 1.667,76 34.955,77 10.782,78 211.429,79 12.687,80 1.361,81 1.548,82 35.038,83 9.377,84 196.719,85 12.633,86 1.248,87 1.518,88 28.584,89 7.928,90 153.265,91 10.233,92 0.992,93 1.329,94 24.279,95 6.467,96 138.479,97 8.546,98 0.894,99 1.003,100 23.773,101 6.066,102 111.734,103 8.642,104 69,105 47,106 0.331,107 0.676,108 0.829,109 0.842,110 0.842,111 0.842,112 3.44,113 1.019,114 -3.31,115 -3.3,116 -3.16,118 35.3,120 2,123 2,124 2,126 1,138 2,139 2,140 3,141 1,143 1,146 1,150 1,156 1,157 1,158 1,163 1,166 4,167 8,169 1,170 3,172 3,173 3,175 1,177 1,184 1,187 3,188 12,190 2,191 3,192 1,193 2,194 1,195 1,197 1,200 1,208 1,212 4,213 2,215 1,216 4,218 4,221 2,223 3,225 2,230 1,235 1,236 4,237 3,239 1,240 2,242 1,245 2,254 1,260 1404,261 19.342,262 19.342,263 19.342,264 19.342,265 19.342,266 17.325,267 28.462,268 10.889,269 19.929,270 15.638,271 15.638,272 15.638,273 15.638,274 15.638,275 12.464,276 46.697,277 5.013,278 16.573,279 3.704,280 1.649,281 0.735,282 0.657,283 0.657,284 0.657,285 4.112,288 1,289 1,290 752,291 3.937,294 332.07,301 2.036,302 65.262,305 1,306 0.83,307 1,308 1,309 0.5,310 1,311 1,312 0.9,313 69.5,314 361,315 4.743,316 4.375,317 7.111,318 4.249,319 3.314,320 4.51,321 0.86,322 11.657,323 3.193,324 4.595,325 3.717,326 6.92,327 4.226,328 3.243,329 4.285,330 0.4,331 11.501,332 3.08,333 4.244,334 3.251,335 6.261,336 3.809,337 2.864,338 3.903,339 0.4,340 9.202,341 2.703,342 3.772,343 2.89,344 5.617,345 3.525,346 2.57,347 3.108,349 7.656,350 2.448,351 3.566,352 2.731,353 5.526,354 3.213,355 2.282,356 2.855,358 6.9,359 2.114,360 3.386,361 2.587,362 5.13,363 3.061,364 2.128,365 2.497,367 6.205,368 1.961,369 3.166,370 2.296,371 4.864,372 2.77,373 1.819,374 2.337,376 5.123,377 1.719,378 2.861,379 2.14,380 4.559,381 2.477,382 1.555,383 1.994,385 4.586,386 1.426,387 2.722,388 1.917,389 4.364,390 2.391,391 1.451,392 1.712,394 3.838,395 1.354,396 2.543,397 1.403,398 3.818,399 2.017,400 1.048,401 1.472,403 2.607,404 0.999,405 2,406 1.245,407 3.414,408 1.984,409 1,410 1,411 2.275,412 0.983,413 1.775,414 1.077,415 3.128,416 1.464,417 0.595,418 0.674,419 1.014,420 0.509,421 1.383,422 0.921,423 2.992,424 1.099,425 0.185,426 0.208,427 0.474,428 0.164,429 1.301,430 0.586,431 2.793,432 0.919,433 0.036,434 0.042,435 0.076,436 0.031,437 1,438 0.362,439 2.655,440 0.696,441 -0.24,442 -0.285,443 -0.539,444 -0.222,445 13.738,446 0.458,447 1.06,448 0.035,449 38,450 1.267,451 18,452 0.6,453 20,454 0.667,455 25.976,456 0.866,457 34.862,458 0.684,459 33.238,460 1.108,461 7.42,462 0.247,463 6.692,464 0.223,465 0.216,466 0.061,467 0.357,470 2,471 0.631,472 1.282,473 0.76,474 1.34,475 0.622,476 1.008,477 0.716,478 0.968,479 0.896,480 1.037,481 0.555,482 0.879,483 1.008,484 1.075,485 1.059,486 1.089,487 0.895,488 0.971,489 0.913,490 0.983,491 1.071,492 1.095,493 0.971,494 1.102,495 0.9,496 0.937,497 0.812,498 0.832,499 0.928,500 0.901,501 0.92,502 0.954,503 0.894,504 0.826,505 0.947,506 0.957,507 1.1,508 1.152,509 1.008,510 1.011,511 1.059,512 1.137,513 0.675,514 0.664,515 0.823,516 0.699,517 0.714,518 0.877,519 8,520 0.198,521 4.444,522 2.938,523 2.2,524 1.347,525 0.709,526 0.602,527 0.32,528 0.276,529 11502,530 44179,531 1.948,532 41.2,534 13,536 1,537 3,540 4,542 1.725,543 1.756,544 3.497,545 1.032,547 1,550 100.387,551 1.968,552 4.023,553 4.937,554 5.015,555 5.015,556 5.015,557 2.944,558 4.282,559 4.877,560 3.762,561 1636.3,562 8.489,563 23148.3,565 1,567 1,568 289.294,569 1.731,570 4.788,571 0.25,572 0.008,573 0.095,574 0.058,575 0.047,576 0.033,577 0.019,578 0.02,579 0.013,580 0.011,581 0.553,582 0.33,583 0.88,584 0.933,585 155.478,586 -0.03,587 -0.177,588 0.16,589 -0.107,590 -0.087,591 0.008,592 0.053,593 0.009,594 0.035,595 0.028,596 0.125,597 0.1,598 -0.111,599 -0.065,600 -0.093,601 -0.057,602 -0.001,603 -0.001,604 0.05,605 -0.055,606 -0.129,607 -0.126,608 0.029,609 -0.141,610 -0.02,611 -0.113,612 0.062,613 0.018,614 -0.027,615 0.077,616 0.067,617 0.07,618 -0.015,619 0.025,620 -0.012,621 -0.027,622 -0.118,623 -0.055,624 -0.13,625 -0.13,626 -0.119,627 -0.199,628 0.093,629 0.144,630 0.096,631 0.127,632 0.022,633 0.084,634 4.15,635 6.204,636 0.6,637 31.387,638 1.037,639 1.15,640 2.083,641 4.337,642 0.651,643 3.497,644 3.871,645 4.111,646 4.317,647 4.511,648 4.564,649 4.575,650 4.644,651 4.718,652 4.796,653 7.355,654 0.64,655 441.51,656 3.497,657 5.069,658 5.922,659 6.817,660 7.686,661 8.581,662 9.455,663 10.349,664 11.226,665 12.121,666 9.8,669 1,670 1,671 1,676 2,681 3,682 2,686 7,688 12,692 1,698 1,699 1,703 1,704 2,705 51,706 15,707 1,708 32,710 53,711 18,712 10,713 4,714 2,715 1,717 3,718 3,724 3,727 3,729 11,730 7,733 3,736 1,737 3,740 1,744 1,745 2,747 21,748 11,749 3,750 12,751 1,755 5,760 1,761 4,774 1,779 3,803 3,805 1,807 2,809 2,811 30,812 1,815 1,817 4,818 1,819 1,821 1,822 1,832 2,833 7.8,836 3,838 1,841 17.083,842 9.636,843 6.5,844 2.792,847 2.409,848 1.325,849 0.964,850 6.558,851 9.829,852 3.738,853 4.369,854 4.828,855 5.317,856 5.786,857 5.979,858 6.19,859 6.475,860 6.767,861 7.01,862 0.875,863 51,864 11.441,865 5.311,866 8.386,867 20.279,868 16.719,869 2.886,870 86.583,874 211.88,875 100.378,876 85.998,878 80.458,879 29.92,880 5.807,881 94.571,882 292.338,883 115.918,884 18.073,885 9.28,886 57.657,887 137.944,888 51.422,889 34.147,890 200.109,892 211.88,893 180.568,894 110.378,895 5.807,897 194.716,898 127.542,900 21.746,901 107.241,902 57.389,904 241.8,905 166.455,906 100.378,908 5.807,909 211.88,910 48.498,911 47.592,912 18.011,913 176.846,914 211.88,915 196.376,916 100.378,918 0.6,919 0.353,920 0.176,921 0.092,922 22,923 12,924 0.113,925 6,927 1,928 3.95,929 262.295,931 18,932 141.207,935 1,936 22.35,937 8.803,938 4.885,940 196.376,941 3.122,942 8.079,946 -3.545,948 50.908,949 508.634,950 41,953 -3.234,954 35.878,957 -0.908,960 52.872,961 58.665,962 0.347,963 0.709,964 0.87,965 0.884,966 0.884,967 0.884,968 5.017,969 1.555,970 5.974,971 5.123,972 4.554,973 5.056,974 1.138,975 6.849,976 4.445,977 6.272,978 1.451,979 7.593,980 4.586,981 4.443,982 5.255,984 8.048,985 4.27,986 7.638,987 1.048,988 9.32,989 3.838,990 6.267,991 7.361,992 0.787,993 11.074,994 6.069,995 9.04,996 1,997 11.108,998 2.607,999 6.909,1000 8.315,1002 13.036,1003 6.65,1004 10.475,1005 0.595,1006 12.935,1007 2.275,1008 8.296,1009 10.011,1010 0.602,1011 15.667,1012 8.011,1013 11.932,1014 0.185,1015 14.788,1016 1.014,1017 9.247,1018 11.263,1020 17.92,1021 8.91,1022 13.406,1023 0.036,1024 16.661,1025 0.474,1026 10.489,1027 12.824,1028 0.471,1029 20.427,1030 10.119,1031 3.314,1032 -0.24,1033 18.549,1034 0.076,1035 11.57,1036 14.2,1038 22.795,1039 11.154,1040 3.243,1041 11.657,1042 20.449,1043 -0.539,1044 12.763,1045 15.712,1046 0.367,1047 25.261,1048 12.311,1049 2.864,1050 11.501,1051 22.358,1052 4.51,1053 13.9,1054 17.143,1056 27.675,1057 13.404,1058 2.57,1059 9.202,1060 24.274,1061 4.285,1062 15.08,1063 18.636,1064 0.283,1065 30.127,1066 14.546,1067 2.282,1068 7.656,1069 26.196,1070 3.903,1071 16.24,1072 20.094,1074 32.561,1075 15.665,1076 2.128,1077 6.9,1078 28.123,1079 3.108,1080 17.419,1081 21.58,1082 0.217,1083 35.01,1084 16.804,1085 1.819,1086 6.205,1087 30.054,1088 2.855,1089 18.591,1090 23.052,1092 37.452,1093 17.936,1094 11404,1095 22526,1096 19.997,1097 33.222,1098 48.236,1099 51.698,1100 51.032,1101 48.197,1102 48.177,1103 61.194,1104 3.32,1105 146.229,1106 45.367,1107 5.743,1108 6.375,1109 6.654,1110 5.318,1111 5.314,1112 7.51,1113 1.72,1114 19.141,1115 5.193,1116 20.517,1117 1.507,1118 1.616,1119 1.595,1120 1.506,1121 1.506,1122 1.912,1123 0.104,1124 4.57,1125 1.418,1126 4.045,1127 4.06,1128 4.722,1129 3.973,1130 8.239,1131 3.916,1132 3.977,1133 3.98,1134 3.982,1135 3.883,1136 8.161,1137 3.844,1138 3.821,1139 3.856,1140 3.801,1141 3.667,1142 7.716,1143 3.68,1144 3.658,1145 3.68,1146 3.605,1147 3.544,1148 7.427,1149 3.507,1150 3.265,1151 3.323,1152 3.187,1153 3.006,1154 6.999,1155 3.04,1156 3.214,1157 3.257,1158 3.118,1159 2.958,1160 5.181,1161 2.98,1162 3.111,1163 3.206,1164 2.899,1165 2.941,1166 4.761,1167 2.91,1168 3.026,1169 3.126,1170 2.866,1171 2.753,1172 4.721,1173 2.768,1174 0.148,1175 0.137,1176 0.222,1177 0.133,1178 0.104,1179 4.743,1180 0.141,1181 4.375,1182 0.027,1183 7.111,1184 0.364,1185 4.249,1186 0.1,1187 3.314,1188 4.51,1189 0.86,1190 11.657,1191 3.193,1192 1.916,1193 1.901,1194 2.027,1195 2.073,1196 1.414,1197 2.087,1198 1.878,1199 1.863,1200 1.954,1201 2.019,1202 1.07,1203 2.007,1204 1.721,1205 1.692,1206 1.782,1207 1.902,1208 0.964,1209 1.887,1210 1.575,1211 1.568,1212 1.598,1213 1.726,1214 0.825,1215 1.781,1216 1.19,1217 1.12,1218 1.563,1219 1.515,1220 0.786,1221 1.527,1222 1.153,1223 1.065,1224 1.513,1225 1.376,1226 0.569,1227 1.429,1228 1.108,1229 1.064,1230 1.324,1231 1.375,1232 0.53,1233 1.362,1234 0.94,1235 0.856,1236 1.188,1237 1.283,1238 0.166,1239 1.26,1240 4.174,1242 5.533,1244 7.084,1246 8.719,1248 10.395,1250 2.391,1252 27.806,1254 5.867,1256 1.813,1257 3.049,1258 4.952,1260 -0.079,1261 1.392,1267 32.661,1268 100.387,1269 205.181,1270 251.784,1271 255.784,1272 255.784,1273 255.784,1274 108.01,1275 7.419,1276 127.51,1277 135.89,1278 18,1279 12.65,1280 4,1281 3.322,1282 55.609,1283 135,1284 120,1285 0.206,1286 204.244,1287 363.41,1288 490.116,1289 16548,1290 3.9,1291 22.052,1292 0.735,1293 0.572,1294 20.561,1295 17.17,1296 14.112,1297 0.441,1298 0.34,1299 8.965,1300 12.484,1301 8.611,1302 7.094,1303 14.185,1304 10.872,1305 13.658,1306 0.291,1307 0.188,1308 14.002,1309 8.823,1310 10.931,1311 0.182,1312 0.102,1313 10.682,1314 6.126,1315 8.673,1316 0.117,1317 0.055,1318 8.531,1319 4.077,1320 6.563,1321 0.073,1322 0.031,1323 6.387,1324 2.767,1325 0.328,1326 100.154,1327 0.224,1328 28.5,1329 0.551,1330 158,1331 680.605,1332 217.65,1333 611.287,1334 791.61,1335 560,1336 186,1337 529.952,1338 252.213,1339 553.056,1340 803.79,1341 514,1342 5}
{0 CHEMBL386051,1 1.798,2 11.517,3 5.639,4 31.799,5 120.773,6 9.853,7 0.563,8 3.925,9 4.019,10 3.771,11 3.606,12 5.109,13 3.562,14 4.407,15 4.542,16 4.162,17 3.993,18 5.588,19 3.932,20 4.606,21 4.736,22 4.319,23 4.134,24 5.827,25 4.071,26 4.7,27 4.859,28 4.382,29 4.114,30 5.972,31 4.039,32 4.663,33 4.826,34 4.251,35 4.029,36 5.964,37 3.963,38 4.617,39 4.812,40 4.146,41 3.951,42 5.833,43 3.877,44 4.534,45 4.731,46 3.974,47 3.865,48 5.693,49 3.748,50 4.302,51 4.512,52 3.657,53 3.654,54 5.367,55 3.54,56 0.062,57 0.634,58 4.901,59 3.483,60 5.832,61 3.942,62 0.276,63 1.063,64 15.091,65 6.695,66 15.962,67 7.366,68 0.221,69 1.204,70 18.348,71 7.991,72 22.414,73 8.664,74 0.529,75 1.319,76 26.419,77 8.739,78 55.763,79 9.068,80 0.52,81 1.234,82 26.674,83 8.87,84 54.382,85 9.532,86 0.468,87 1.253,88 20.133,89 7.782,90 48.556,91 8.535,92 0.517,93 1.032,94 30.247,95 8.419,96 52.307,97 9.549,98 0.234,99 0.934,100 15.167,101 6.238,102 23.228,103 7.134,104 27,105 46,106 0.306,107 0.663,108 0.793,109 0.86,110 0.867,111 0.867,112 3.408,113 1.001,114 -6.15,115 -6,116 -5.57,118 46.7,123 2,132 1,133 1,138 7,139 2,140 4,141 1,143 1,146 1,151 1,163 7,166 3,167 5,170 2,172 2,173 14,177 6,182 1,184 10,187 2,188 7,191 1,193 3,195 9,200 12,205 1,208 5,212 1,213 8,216 1,218 1,221 3,225 9,230 1,233 3,237 6,245 5,249 1,254 4,257 5,260 1246,261 19.524,262 19.524,263 19.524,264 19.524,265 19.524,266 17.033,267 23.154,268 11.236,269 20.289,270 15.691,271 15.691,272 15.691,273 15.691,274 15.691,275 11.815,276 34.898,277 5.237,278 16.867,279 3.694,280 1.593,281 0.826,282 0.434,283 0.389,284 0.389,285 4.103,286 2,289 1,290 722,291 2.739,294 329.857,298 122.501,301 2.017,302 28.142,305 0.75,306 0.83,307 1,308 0.4,310 1,311 1,312 0.71,313 61.667,314 334,315 4.617,316 4.328,317 6.941,318 4.258,319 3.291,320 4.242,321 2.95,322 11.619,323 3.179,324 4.313,325 3.774,326 6.527,327 3.892,328 2.96,329 3.954,330 1.2,331 10.134,332 2.743,333 4.085,334 3.302,335 5.799,336 3.67,337 2.723,338 3.675,339 0.4,340 8.007,341 2.573,342 3.83,343 2.961,344 5.644,345 3.395,346 2.452,347 3.239,348 0.293,349 7.49,350 2.3,351 3.507,352 2.726,353 5.26,354 3.132,355 2.187,356 2.79,358 6.636,359 2.041,360 3.335,361 2.623,362 5.209,363 2.937,364 1.988,365 2.508,367 6.011,368 1.865,369 3.232,370 2.463,371 4.841,372 2.779,373 1.879,374 2.481,376 5.36,377 1.701,378 3.221,379 2.171,380 4.805,381 2.707,382 1.851,383 2.468,385 5.104,386 1.441,387 2.811,388 2.065,389 4.159,390 2.327,391 1.336,392 1.93,394 3.353,395 1.317,396 2.676,397 1.677,398 3.729,399 2.193,400 1.212,401 1.756,403 2.636,404 1.184,405 2.523,406 1.295,407 3.498,408 1.94,409 1.006,410 1.454,411 2.513,412 0.924,413 1.871,414 1.271,415 3.206,416 1.375,417 0.432,418 0.504,419 0.889,420 0.358,421 1.584,422 1.028,423 3.067,424 1.228,425 0.378,426 0.483,427 0.726,428 0.335,429 1.498,430 0.622,431 2.834,432 1.179,433 0.267,434 0.315,435 0.611,436 0.232,437 1.219,438 0.484,439 2.673,440 0.785,441 -0.114,442 -0.145,443 -0.309,444 -0.091,445 14.695,446 0.507,447 0.784,448 0.027,449 41.5,450 1.431,451 22.5,452 0.776,453 19,454 0.655,455 23.796,456 0.821,457 29.105,458 0.647,459 30.981,460 1.068,461 7.908,462 0.273,463 6.066,464 0.209,465 0.188,467 0.367,471 0.672,472 1.185,473 0.554,474 0.775,475 0.588,476 0.759,477 0.627,478 0.845,479 0.771,480 0.835,481 0.563,482 0.74,483 1.049,484 1.286,485 0.929,486 1.026,487 0.93,488 0.963,489 1.303,490 1.02,491 0.912,492 0.872,493 1.473,494 0.933,495 1.013,496 1.226,497 1.027,498 1.151,499 1.016,500 1.07,501 1.178,502 1.023,503 0.734,504 0.735,505 1.191,506 0.849,507 1.149,508 0.929,509 1.288,510 1.066,511 1.056,512 1.081,513 0.857,514 1.031,515 0.736,516 0.938,517 0.769,518 1.023,519 6,520 0.161,521 3.333,522 2.688,523 2.244,524 1.222,525 0.829,526 0.382,527 0.361,528 0.192,529 10610,530 35161,531 2.07,532 35.6,534 14,536 1,537 1,542 1.719,543 1.912,544 3.449,545 -0.302,550 80.895,551 1.798,552 3.899,553 4.666,554 5.058,555 5.103,556 5.103,557 2.935,558 4.323,559 4.826,560 3.639,561 1477.32,562 8.404,563 19614.2,568 247.133,569 1.487,570 4.777,571 0.188,572 0.009,573 0.072,574 0.053,575 0.048,576 0.028,577 0.021,578 0.012,579 0.014,580 0.009,581 0.454,582 0.17,583 0.88,584 0.772,585 146.72,586 -0.055,587 -0.137,588 0.018,589 0.004,590 -0.088,591 0.01,592 0.142,593 0.242,594 -0.004,595 0.08,596 0.068,597 0.113,598 -0.122,599 -0.271,600 -0.081,601 -0.148,602 -0.034,603 -0.105,604 -0.065,605 0.005,606 0.016,607 0.016,608 -0.101,609 -0.048,610 0.129,611 -0.225,612 -0.073,613 -0.247,614 0.168,615 -0.154,616 -0.067,617 0.032,618 0.069,619 0.134,620 -0.024,621 0.073,622 -0.026,623 0.026,624 -0.147,625 -0.104,626 -0.058,627 -0.072,628 -0.097,629 0.009,630 -0.001,631 -0.004,632 -0.055,633 -0.04,634 1.901,635 6.003,636 0.759,637 29.757,638 1.014,639 1.109,640 4.922,641 24.223,642 0.759,643 3.497,644 3.85,645 4.159,646 4.443,647 4.7,648 4.779,649 4.913,650 5.081,651 5.215,652 5.263,653 6.704,654 0.718,655 443.38,656 3.497,657 5.056,658 5.927,659 6.823,660 7.71,661 8.612,662 9.506,663 10.412,664 11.31,665 12.218,666 8.9,673 1,674 1,676 2,681 8,682 2,686 8,688 18,699 1,704 2,705 45,706 20,707 2,708 32,710 48,711 21,712 16,713 5,714 7,715 3,717 4,718 5,719 2,729 19,730 2,733 2,737 1,738 1,740 2,747 16,748 5,749 1,750 8,751 3,755 4,760 0.75,761 1,774 1,779 4,783 1,791 1,795 1,796 1,803 3,804 1,805 1,807 2,808 2,811 29,818 1,820 1,822 1,832 2,833 2.2,836 1,841 15.167,842 8.969,843 6.361,844 2.47,847 3.639,848 1.464,849 1.011,850 5.724,851 11.479,852 3.784,853 4.413,854 5.019,855 5.598,856 6.156,857 6.41,858 6.799,859 7.269,860 7.684,861 8.015,862 0.875,863 51,864 10.684,865 4.586,866 7.784,867 20.121,868 16.406,869 2.284,870 66.222,874 176.567,875 162.461,876 54.706,877 78.297,878 25.145,880 32.22,881 130.241,882 280.009,883 54.706,884 15.587,885 3.124,886 75.81,887 75.192,888 47.924,889 4.227,890 197.015,891 78.297,892 176.567,893 184.947,894 25.145,895 110.517,897 176.567,898 25.145,900 32.082,901 109.818,902 121.345,903 32.22,904 176.567,905 79.851,906 240.758,909 176.567,910 62.017,911 103.568,912 18.011,913 137.013,914 176.567,915 79.851,916 240.758,918 0.588,919 0.359,920 0.195,921 0.107,922 23,923 11,924 0.083,925 4,926 1,927 1.091,928 3.948,929 263.768,930 0.091,931 22,932 134.881,933 1,936 20.081,937 8.267,938 3.951,940 79.851,941 14.78,942 8.932,946 4.986,948 18.011,949 497.176,950 43,954 13.003,955 1.725,957 0.175,960 45.644,961 49.917,962 0.327,963 0.71,964 0.85,965 0.921,966 0.929,967 0.929,968 5.034,969 1.851,970 5.932,971 5.36,972 4.533,973 5.1,974 3.073,975 6.783,976 4.401,977 6.263,978 1.336,979 7.52,980 5.104,981 4.205,982 4.934,983 0.325,984 7.756,985 3.979,986 7.586,987 1.212,988 9.207,989 3.353,990 6.168,991 7.308,992 5.05,993 10.892,994 5.941,995 8.943,996 1.006,997 10.952,998 2.636,999 6.635,1000 7.913,1001 0.653,1002 12.685,1003 6.329,1004 10.329,1005 0.432,1006 12.734,1007 2.513,1008 8.09,1009 9.779,1010 7.188,1011 15.363,1012 7.78,1013 11.737,1014 0.378,1015 14.542,1016 0.889,1017 8.927,1018 10.761,1019 1.001,1020 17.514,1021 8.555,1022 13.162,1023 0.267,1024 16.371,1025 0.726,1026 10.19,1027 12.401,1028 9.348,1029 20.034,1030 9.803,1031 3.291,1032 -0.114,1033 18.216,1034 0.611,1035 11.202,1036 13.583,1037 1.37,1038 22.344,1039 10.767,1040 2.96,1041 11.619,1042 20.074,1043 -0.309,1044 12.394,1045 15.113,1046 11.511,1047 24.808,1048 11.937,1049 2.723,1050 10.134,1051 21.944,1052 4.242,1053 13.489,1054 16.404,1055 1.754,1056 27.188,1057 12.992,1058 2.452,1059 8.007,1060 23.822,1061 3.954,1062 14.658,1063 17.878,1064 13.675,1065 29.633,1066 14.135,1067 2.187,1068 7.49,1069 25.708,1070 3.675,1071 15.791,1072 19.228,1073 2.143,1074 32.045,1075 15.234,1076 1.988,1077 6.636,1078 27.6,1079 3.239,1080 16.956,1081 20.676,1082 15.838,1083 34.485,1084 16.372,1085 1.879,1086 6.011,1087 29.498,1088 2.79,1089 18.11,1090 22.059,1091 2.535,1092 36.913,1093 17.494,1094 10153,1095 18655,1096 21.096,1097 34.171,1098 48.581,1099 53.001,1100 50.616,1101 48.211,1102 47.929,1103 63.599,1104 9.686,1105 142.178,1106 44.386,1107 5.512,1108 6.328,1109 6.533,1110 5.334,1111 5.291,1112 7.242,1113 5.9,1114 19.318,1115 5.179,1116 15.487,1117 1.518,1118 1.656,1119 1.582,1120 1.507,1121 1.498,1122 1.987,1123 0.303,1124 4.443,1125 1.387,1126 4.041,1127 4.07,1128 4.135,1129 3.963,1130 7.428,1131 3.964,1132 3.902,1133 3.926,1134 4.008,1135 3.863,1136 5.042,1137 3.841,1138 3.813,1139 3.842,1140 3.883,1141 3.718,1142 4.973,1143 3.725,1144 3.457,1145 3.509,1146 3.582,1147 3.269,1148 4.712,1149 3.287,1150 3.221,1151 3.295,1152 3.523,1153 3.176,1154 4.632,1155 3.069,1156 3.195,1157 3.268,1158 3.378,1159 3.008,1160 4.222,1161 3.007,1162 2.999,1163 3.062,1164 3.074,1165 2.849,1166 4.115,1167 2.841,1168 2.901,1169 2.918,1170 3.038,1171 2.839,1172 4.045,1173 2.815,1174 0.144,1175 0.135,1176 0.217,1177 0.133,1178 0.103,1179 4.617,1180 0.133,1181 4.328,1182 0.092,1183 6.941,1184 0.363,1185 4.258,1186 0.099,1187 3.291,1188 4.242,1189 2.95,1190 11.619,1191 3.179,1192 1.967,1193 1.95,1194 2.012,1195 2.082,1196 1.162,1197 2.063,1198 1.888,1199 1.865,1200 1.968,1201 1.963,1202 1.091,1203 1.977,1204 1.773,1205 1.743,1206 1.85,1207 1.878,1208 0.943,1209 1.885,1210 1.361,1211 1.314,1212 1.581,1213 1.608,1214 0.654,1215 1.595,1216 1.226,1217 1.165,1218 1.52,1219 1.42,1220 0.626,1221 1.493,1222 1.196,1223 1.113,1224 1.407,1225 1.393,1226 0.437,1227 1.422,1228 0.964,1229 0.906,1230 1.175,1231 1.177,1232 0.241,1233 1.178,1234 0.849,1235 0.827,1236 1.05,1237 0.967,1238 0.159,1239 1.007,1240 4.174,1242 5.517,1244 7.069,1246 8.718,1248 10.418,1250 3.689,1251 12.608,1257 3.189,1259 1.654,1261 1.482,1267 32.33,1268 80.895,1269 175.443,1270 209.972,1271 227.624,1272 229.624,1273 229.624,1274 50.48,1275 7.84,1276 59.81,1277 85.11,1278 24,1279 12.736,1280 4.392,1281 3.585,1282 44.793,1283 118,1284 124,1285 0.191,1286 209.405,1287 362.4,1288 502.708,1289 27269,1290 4.4,1291 20.543,1292 0.708,1293 0.619,1294 21.897,1295 17.939,1296 13.974,1297 0.437,1298 0.334,1299 8.775,1300 12.522,1301 8.311,1302 6.9,1303 15.109,1304 10.68,1305 12.726,1306 0.277,1307 0.175,1308 13.961,1309 8.042,1310 11.175,1311 0.177,1312 0.093,1313 12.322,1314 5.862,1315 9.372,1316 0.112,1317 0.049,1318 10.575,1319 4.132,1320 7.674,1321 0.07,1322 0.024,1323 8.449,1324 2.63,1325 0.299,1326 98.239,1327 0.218,1328 27.412,1329 0.528,1330 156,1331 468.271,1332 216.66,1333 541.191,1334 723.27,1335 504,1336 187,1337 477.78,1338 235.267,1339 519.435,1340 763.4,1341 486,1342 8.638}
{0 CHEMBL400402,1 1.606,2 15.559,3 6.405,4 41.028,5 135.423,6 7.934,7 0.605,8 4.204,9 4.318,10 3.829,11 3.765,12 5.304,13 3.746,14 4.733,15 4.9,16 4.2,17 4.16,18 5.791,19 4.12,20 4.988,21 5.192,22 4.25,23 4.284,24 6.009,25 4.206,26 4.985,27 5.216,28 4.165,29 4.229,30 5.948,31 4.131,32 4.934,33 5.159,34 4.167,35 4.153,36 5.984,37 4.073,38 4.848,39 5.073,40 4.084,41 4.076,42 5.892,43 4.009,44 4.743,45 4.95,46 4.027,47 4.046,48 5.832,49 3.963,50 4.71,51 4.926,52 3.785,53 3.967,54 5.743,55 3.849,56 0.069,57 0.887,58 11.403,59 5.322,60 10.381,61 6.763,62 0.228,63 1.437,64 22.38,65 9.012,66 22.592,67 11.775,68 0.44,69 1.724,70 33.345,71 11.766,72 42.78,73 15.577,74 0.325,75 1.661,76 35.914,77 12.227,78 40.726,79 16.655,80 0.457,81 1.579,82 34.905,83 11.159,84 53.847,85 15.079,86 0.47,87 1.48,88 31.169,89 9.256,90 46.917,91 12.424,92 0.447,93 1.334,94 28.537,95 9.18,96 43.176,97 12.62,98 0.361,99 1.293,100 23.804,101 9.283,102 45.265,103 12.697,104 10,105 53,106 0.257,107 0.598,108 0.761,109 0.841,110 0.849,111 0.849,112 3.56,113 0.931,114 -5.04,115 -4.94,116 -4.63,118 43.3,119 1,120 2,124 4,138 9,139 3,140 4,142 2,146 1,159 1,163 10,166 1,167 6,170 2,172 4,173 12,176 2,177 8,180 1,182 4,184 13,188 10,193 2,195 8,200 15,203 1,205 6,208 5,213 8,218 2,221 5,224 2,225 5,228 1,230 2,233 13,236 1,237 2,240 3,242 1,245 12,249 1,254 2,257 4,260 2222,261 23.187,262 23.187,263 23.187,264 23.187,265 23.187,266 20.413,267 27.391,268 13.703,269 23.784,270 18.792,271 18.792,272 18.792,273 18.792,274 18.792,275 14.632,276 34.668,277 6.588,278 19.836,279 4.301,280 2.174,281 1.159,282 0.658,283 0.613,284 0.613,285 4.269,286 1,289 1,290 1169,291 3.082,293 113.062,294 426.239,298 163.019,301 2.709,302 27.697,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 72.833,314 529,315 4.585,316 3.271,317 6.593,318 4.129,319 3.153,320 4.519,321 0.86,322 10.507,323 3.075,324 4.299,325 3.08,326 6.364,327 3.855,328 2.902,329 3.982,330 0.8,331 9.654,332 2.758,333 4.059,334 2.949,335 5.599,336 3.645,337 2.687,338 3.652,339 0.4,340 7.723,341 2.573,342 3.745,343 2.83,344 5.364,345 3.469,346 2.543,347 3.199,349 7.029,350 2.355,351 3.563,352 2.674,353 5.307,354 3.317,355 2.387,356 2.908,358 6.874,359 2.217,360 3.53,361 2.487,362 5.141,363 3.151,364 2.194,365 2.812,367 6.206,368 2.092,369 3.433,370 2.277,371 5.067,372 3.003,373 2.041,374 2.654,376 5.828,377 1.965,378 3.338,379 2.172,380 4.918,381 2.871,382 1.937,383 2.535,385 5.685,386 1.796,387 3.224,388 1.99,389 4.862,390 2.749,391 1.837,392 2.491,394 5.317,395 1.598,396 2.646,397 1.613,398 4.043,399 2.381,400 1.414,401 1.715,403 3.218,404 1.361,405 2.5,406 1.216,407 3.664,408 2.15,409 1.168,410 1.5,411 3.011,412 1.142,413 2.45,414 1.2,415 3.609,416 2,417 1,418 1.449,419 2.405,420 1,421 2.401,422 1,423 3.414,424 1.913,425 0.952,426 1.357,427 2.275,428 0.912,429 1.995,430 0.998,431 3.226,432 1.862,433 0.929,434 0.977,435 2.073,436 0.859,437 1.618,438 0.744,439 3.027,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 16.381,446 0.482,447 0.797,448 0.023,449 45.75,450 1.346,451 23.5,452 0.691,453 22.25,454 0.654,455 28.682,456 0.844,457 35.819,458 0.597,459 34.514,460 1.015,461 8.833,462 0.26,463 7.714,464 0.227,465 0.094,467 0.33,471 0.829,472 1.226,473 0.659,474 0.977,475 0.833,476 0.896,477 0.899,478 1.079,479 0.734,480 0.933,481 0.574,482 0.902,483 1.105,484 1.029,485 0.952,486 0.96,487 0.914,488 0.983,489 0.974,490 1.081,491 0.945,492 0.981,493 0.873,494 0.95,495 1.034,496 1.12,497 0.95,498 0.99,499 0.816,500 0.937,501 1.413,502 0.955,503 0.999,504 0.79,505 1.236,506 0.838,507 0.758,508 1.014,509 1.08,510 1.066,511 0.783,512 1.024,513 0.717,514 1.111,515 0.884,516 1.145,517 1.002,518 1.204,519 7,520 0.144,521 3.333,522 1.847,523 2.018,524 0.969,525 0.856,526 0.45,527 0.279,528 0.236,529 20513,530 51640,531 2.145,532 43.3,533 3,534 17,537 2,539 4,542 1.752,543 2.04,544 3.868,545 0.177,550 96.381,551 1.606,552 3.733,553 4.748,554 5.248,555 5.294,556 5.294,557 3.349,558 4.418,559 5.052,560 4.106,561 2303.29,562 8.82,563 37540,568 354.413,569 1.286,570 5.033,571 0.184,572 0.006,573 0.063,574 0.036,575 0.043,576 0.021,577 0.02,578 0.011,579 0.009,580 0.009,581 0.401,582 0.17,583 0.75,584 0.459,585 186.951,586 -0.017,587 -0.069,588 0.032,589 -0.011,590 -0.054,591 0.018,592 0.006,593 0.024,594 0.048,595 0.019,596 0.127,597 0.028,598 -0.06,599 0.001,600 -0.033,601 0.003,602 0.005,603 -0.032,604 -0.055,605 -0.104,606 0.05,607 0.007,608 -0.002,609 0.043,610 0.042,611 -0.131,612 0.071,613 -0.017,614 0.138,615 0.034,616 -0.209,617 0.092,618 -0.008,619 0.14,620 -0.145,621 0.089,622 0.174,623 0.02,624 -0.041,625 -0.084,626 0.165,627 -0.056,628 0.126,629 -0.108,630 -0.113,631 -0.184,632 0.009,633 -0.229,634 1.51,635 3.845,636 0.794,637 49.356,638 1.003,639 1.124,640 3.809,641 14.508,642 0.686,643 3.664,644 3.989,645 4.248,646 4.511,647 4.745,648 4.804,649 4.977,650 5.124,651 5.283,652 5.366,653 9.059,654 0.653,655 476.02,656 3.664,657 5.209,658 6.057,659 6.93,660 7.793,661 8.67,662 9.54,663 10.419,664 11.295,665 12.177,666 8.3,669 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,699 1,702 1,703 1,704 1,705 60,706 23,707 3,708 38,710 64,711 26,712 19,713 9,714 9,717 5,718 6,719 1,721 1,724 2,727 2,729 19,730 7,747 26,748 7,749 2,750 8,751 1,755 5,760 0.8,761 2,776 1,778 1,779 4,783 1,800 1,803 4,807 1,808 1,811 34,816 1,817 6,818 1,819 1,822 1,832 1,833 3.3,835 1,838 1,841 16.667,842 11.06,843 7.361,844 3.709,847 4.362,848 1.519,849 0.994,850 6.815,851 12.774,852 3.922,853 4.549,854 5.142,855 5.75,856 6.372,857 6.683,858 7.177,859 7.671,860 8.159,861 8.498,862 1,863 52,864 12.542,865 5.346,866 7.641,867 24.224,868 20.07,869 2.141,870 72.778,874 282.506,875 137.335,876 71.247,877 39.149,878 53.683,881 137.335,882 375.338,883 71.247,884 8.825,885 15.979,886 85.286,887 92.795,888 57.481,889 1.899,890 282.506,891 39.149,892 282.506,893 208.581,894 53.683,895 39.149,897 235.422,898 100.768,900 52.126,901 106.344,902 89.26,904 282.506,905 124.93,906 176.484,909 282.506,910 43.223,911 97.236,912 18.011,913 142.943,914 282.506,915 124.93,916 176.484,918 0.583,919 0.336,920 0.18,921 0.098,922 26,923 11,924 0.109,925 7,926 1,927 1.074,928 4.698,929 312.616,930 0.074,931 27,932 164.974,936 22.85,937 10.141,938 5.437,939 1.404,940 124.93,941 16.501,942 13.262,946 5.35,948 60.694,949 583.92,950 49.5,960 60.207,961 67.422,962 0.272,963 0.632,964 0.804,965 0.889,966 0.896,967 0.896,968 5.158,969 1.937,970 6.033,971 5.828,972 4.673,973 5.236,974 1.324,975 6.817,976 4.571,977 6.362,978 1.837,979 7.572,980 5.685,981 4.205,982 5.047,983 0.325,984 7.627,985 4.024,986 7.667,987 1.414,988 9.206,989 5.317,990 6.244,991 7.463,992 0.958,993 10.717,994 6.058,995 9.006,996 1.168,997 10.895,998 3.218,999 6.581,1000 8.09,1001 0.268,1002 12.358,1003 6.33,1004 10.376,1005 1,1006 12.622,1007 3.011,1008 8.072,1009 9.987,1010 0.736,1011 14.962,1012 7.814,1013 11.767,1014 0.952,1015 14.375,1016 2.405,1017 8.794,1018 11.021,1019 0.188,1020 16.977,1021 8.488,1022 13.176,1023 0.929,1024 16.148,1025 2.275,1026 10.059,1027 12.693,1028 0.57,1029 19.408,1030 9.74,1031 3.153,1032 0.618,1033 17.937,1034 2.073,1035 10.977,1036 13.945,1037 0.125,1038 21.597,1039 10.623,1040 2.902,1041 10.507,1042 19.74,1043 1.372,1044 12.147,1045 15.513,1046 0.439,1047 23.964,1048 11.776,1049 2.687,1050 9.654,1051 21.554,1052 4.519,1053 13.165,1054 16.882,1055 0.082,1056 26.232,1057 12.766,1058 2.543,1059 7.723,1060 23.377,1061 3.982,1062 14.298,1063 18.404,1064 0.334,1065 28.575,1066 13.881,1067 2.387,1068 7.029,1069 25.209,1070 3.652,1071 15.368,1072 19.833,1073 0.054,1074 30.879,1075 14.926,1076 2.194,1077 6.874,1078 27.047,1079 3.199,1080 16.49,1081 21.336,1082 0.252,1083 33.216,1084 16.029,1085 2.041,1086 6.206,1087 28.892,1088 2.908,1089 17.586,1090 22.798,1091 0.035,1092 35.537,1093 17.103,1094 18909,1095 30328,1096 25.948,1097 41.171,1098 56.428,1099 57.423,1100 57.15,1101 56.543,1102 56.403,1103 73.797,1104 4.12,1105 160.512,1106 53.373,1107 5.544,1108 5.271,1109 6.25,1110 5.215,1111 5.153,1112 7.519,1113 1.72,1114 17.403,1115 5.075,1116 13.797,1117 1.485,1118 1.511,1119 1.504,1120 1.488,1121 1.484,1122 1.942,1123 0.108,1124 4.224,1125 1.405,1126 4.096,1127 4.128,1128 4.104,1129 4.019,1130 6.471,1131 4.024,1132 3.919,1133 3.954,1134 3.931,1135 3.829,1136 5.168,1137 3.831,1138 3.856,1139 3.907,1140 3.84,1141 3.759,1142 4.887,1143 3.763,1144 3.823,1145 3.856,1146 3.711,1147 3.677,1148 4.847,1149 3.675,1150 3.447,1151 3.508,1152 3.388,1153 3.233,1154 4.477,1155 3.259,1156 3.364,1157 3.434,1158 3.338,1159 3.172,1160 4.387,1161 3.177,1162 3.194,1163 3.263,1164 3.216,1165 3.059,1166 4.263,1167 3.047,1168 2.992,1169 3.039,1170 3.049,1171 2.828,1172 4.169,1173 2.839,1174 0.121,1175 0.086,1176 0.173,1177 0.109,1178 0.083,1179 4.585,1180 0.119,1181 3.271,1182 0.023,1183 6.593,1184 0.277,1185 4.129,1186 0.081,1187 3.153,1188 4.519,1189 0.86,1190 10.507,1191 3.075,1192 2.036,1193 2.015,1194 2.093,1195 2.137,1196 1.244,1197 2.123,1198 1.884,1199 1.859,1200 1.989,1201 1.995,1202 1.211,1203 1.994,1204 1.805,1205 1.784,1206 1.886,1207 1.91,1208 1.152,1209 1.907,1210 1.591,1211 1.517,1212 1.86,1213 1.827,1214 1.055,1215 1.833,1216 1.577,1217 1.507,1218 1.826,1219 1.751,1220 0.992,1221 1.793,1222 1.332,1223 1.266,1224 1.555,1225 1.579,1226 0.787,1227 1.568,1228 1.208,1229 1.143,1230 1.509,1231 1.446,1232 0.605,1233 1.468,1234 1.171,1235 1.101,1236 1.371,1237 1.379,1238 0.371,1239 1.4,1240 4.344,1242 5.666,1243 2.398,1244 7.175,1245 4.443,1246 8.774,1247 6.26,1248 10.423,1250 1.968,1251 6.335,1255 9.845,1256 6.596,1257 3.212,1258 5.872,1261 2.434,1267 39.159,1268 96.381,1269 223.997,1270 284.865,1271 314.904,1272 317.659,1273 317.659,1274 51.958,1275 8.412,1276 83.4,1277 83.4,1278 29,1279 12.713,1280 4.585,1281 3.644,1282 50.505,1283 185,1284 188,1285 0.131,1286 241.3,1287 411.71,1288 580.532,1289 63294,1290 1.7,1291 23.493,1292 0.691,1293 0.58,1294 23.993,1295 19.717,1296 16.547,1297 0.435,1298 0.31,1299 11.302,1300 15.69,1301 11.016,1302 9.097,1303 16.836,1304 11.791,1305 15.075,1306 0.284,1307 0.168,1308 15.446,1309 8.914,1310 12.626,1311 0.183,1312 0.092,1313 12.984,1314 6.326,1315 10.505,1316 0.117,1317 0.049,1318 10.792,1319 4.444,1320 8.617,1321 0.076,1322 0.024,1323 8.954,1324 2.76,1325 0.215,1326 106.279,1327 0.196,1328 32.392,1329 0.335,1330 182,1331 507.002,1332 212.963,1333 524.826,1334 719.34,1335 492,1336 213,1337 520.993,1338 240.573,1339 536.918,1340 784.19,1341 506,1342 9.523}
{0 CHEMBL403989,1 1.586,2 18.881,3 8.105,4 65.686,5 165.034,6 8.057,7 0.617,8 4.383,9 4.489,10 4.026,11 3.967,12 5.497,13 3.949,14 4.909,15 5.063,16 4.393,17 4.352,18 6.014,19 4.316,20 5.161,21 5.356,22 4.45,23 4.468,24 6.208,25 4.401,26 5.162,27 5.374,28 4.388,29 4.407,30 6.216,31 4.335,32 5.114,33 5.317,34 4.393,35 4.359,36 6.216,37 4.302,38 5.047,39 5.247,40 4.368,41 4.351,42 6.121,43 4.294,44 5.012,45 5.199,46 4.393,47 4.381,48 6.147,49 4.304,50 5.02,51 5.219,52 4.236,53 4.346,54 6.053,55 4.243,56 0.056,57 1.022,58 12.802,59 6.39,60 9.024,61 7.913,62 0.343,63 1.674,64 25.517,65 10.815,66 32.522,67 13.659,68 0.473,69 2.043,70 38.248,71 14.249,72 46.817,73 18.242,74 0.434,75 1.972,76 41.411,77 14.605,78 59.406,79 18.76,80 0.598,81 1.887,82 40.12,83 13.453,84 68.22,85 16.954,86 0.53,87 1.833,88 35.11,89 11.81,90 52.847,91 14.917,92 0.552,93 1.741,94 36.097,95 12.578,96 59.086,97 16.519,98 0.429,99 1.749,100 32.413,101 13.154,102 46.415,103 17.288,104 10,105 65,106 0.243,107 0.556,108 0.73,109 0.838,110 0.849,111 0.849,112 3.764,113 0.915,114 -6.16,115 -6,116 -5.58,118 45.8,119 1,120 2,124 4,138 14,139 4,140 4,142 2,146 1,151 1,159 1,163 16,166 2,167 10,170 2,172 2,173 18,176 2,177 14,180 1,182 2,184 16,188 17,193 1,195 10,200 22,203 1,205 3,208 11,213 10,218 1,221 14,224 3,225 9,230 1,233 24,236 3,237 3,240 1,242 1,245 23,248 1,249 3,254 2,257 14,260 4110,261 28.825,262 28.825,263 28.825,264 28.825,265 28.825,266 25.261,267 30.655,268 17.158,269 29.48,270 23.254,271 23.254,272 23.254,273 23.254,274 23.254,275 17.886,276 39.092,277 8.246,278 24.369,279 4.584,280 2.538,281 1.404,282 0.698,283 0.622,284 0.622,285 4.48,286 1,290 1756,291 3.742,293 143.511,294 698.773,298 207.711,301 3.268,302 36.176,305 0.5,306 0.33,307 0.67,308 0.7,309 0.5,310 0.83,311 1,312 0.65,313 89.833,314 793,315 4.586,316 3.684,317 6.594,318 4.131,319 3.156,320 4.519,321 1.674,322 10.515,323 3.076,324 4.317,325 3.268,326 6.368,327 3.883,328 2.928,329 3.995,330 0.86,331 9.682,332 2.797,333 4.144,334 3.079,335 6.046,336 3.771,337 2.788,338 3.675,339 0.8,340 8.666,341 2.726,342 4.058,343 2.949,344 5.6,345 3.644,346 2.685,347 3.651,348 0.4,349 7.724,350 2.572,351 3.751,352 2.83,353 5.365,354 3.469,355 2.543,356 3.208,358 7.032,359 2.355,360 3.603,361 2.674,362 5.321,363 3.323,364 2.389,365 2.957,367 6.899,368 2.228,369 3.538,370 2.562,371 5.283,372 3.202,373 2.253,374 2.812,376 6.734,377 2.127,378 3.436,379 2.278,380 5.067,381 3.008,382 2.051,383 2.688,385 5.894,386 1.966,387 3.364,388 2.177,389 5.028,390 2.895,391 1.955,392 2.554,394 5.764,395 1.814,396 3.256,397 2.168,398 4.896,399 2.787,400 1.85,401 2.521,403 5.467,404 1.735,405 3.168,406 1.99,407 4.192,408 2.678,409 1.695,410 2.411,411 3.915,412 1.584,413 2.646,414 1.613,415 4.042,416 2.381,417 1.414,418 1.715,419 3.22,420 1.361,421 2.554,422 1.324,423 3.665,424 2.15,425 1.168,426 1.506,427 3.011,428 1.142,429 2.5,430 1.219,431 3.609,432 2.033,433 1.039,434 1.5,435 2.483,436 1.016,437 2.5,438 1.202,439 3.45,440 2,441 1,442 1.5,443 2.403,444 1,445 20.214,446 0.481,447 0.917,448 0.022,449 58.25,450 1.387,451 31,452 0.738,453 27.25,454 0.649,455 36.251,456 0.863,457 43.386,458 0.603,459 48.051,460 1.144,461 11.421,462 0.272,463 9.093,464 0.216,465 0.077,467 0.317,471 0.73,472 1.19,473 0.641,474 0.988,475 0.603,476 0.889,477 0.839,478 1.063,479 0.75,480 0.951,481 0.547,482 0.917,483 1.093,484 1.031,485 0.935,486 0.977,487 0.78,488 0.971,489 1.224,490 1.061,491 0.971,492 0.974,493 1.153,494 0.931,495 1.322,496 1.044,497 0.984,498 0.928,499 1.362,500 0.889,501 1.374,502 0.926,503 0.956,504 0.77,505 1.189,506 0.825,507 0.693,508 0.991,509 1.087,510 1.071,511 0.698,512 1.017,513 0.769,514 1.044,515 0.923,516 1.063,517 0.942,518 1.103,519 8,520 0.268,521 4,522 2.285,523 2.329,524 1.24,525 1.06,526 0.67,527 0.451,528 0.392,529 37386,530 94271,531 2.158,532 41.7,533 3,534 22,537 1,539 4,542 1.806,543 2.066,544 4.144,545 -0.408,550 114.198,551 1.586,552 3.632,553 4.766,554 5.472,555 5.548,556 5.548,557 3.665,558 4.821,559 5.353,560 4.371,561 3763.81,562 9.438,563 72711.5,568 444.235,569 1.224,570 5.344,571 0.17,572 0.006,573 0.062,574 0.035,575 0.039,576 0.021,577 0.018,578 0.011,579 0.009,580 0.009,581 0.379,582 0.17,583 0.63,584 0.4,585 246.897,586 0.013,587 -0.079,588 0.044,589 -0.042,590 -0.014,591 0.004,592 0.096,593 0.014,594 0.039,595 -0.007,596 0.154,597 -0.003,598 -0.042,599 -0.009,600 -0.004,601 -0.013,602 0.056,603 -0.018,604 -0.098,605 -0.082,606 0.043,607 0.01,608 0.003,609 0.048,610 -0.054,611 -0.048,612 0.047,613 0.043,614 -0.036,615 0.066,616 -0.203,617 0.132,618 0.015,619 0.172,620 -0.144,621 0.103,622 0.201,623 0.029,624 0.01,625 -0.072,626 0.198,627 -0.043,628 0.083,629 -0.059,630 -0.031,631 -0.074,632 -0.031,633 -0.115,634 2.103,635 5.547,636 0.786,637 73.544,638 1.004,639 1.118,640 4.928,641 24.283,642 0.697,643 3.871,644 4.19,645 4.454,646 4.71,647 4.942,648 5.011,649 5.204,650 5.357,651 5.529,652 5.645,653 10.682,654 0.666,655 580.13,656 3.871,657 5.416,658 6.263,659 7.133,660 7.994,661 8.868,662 9.736,663 10.613,664 11.486,665 12.366,666 6.9,669 1,674 1,676 3,679 1,680 2,681 14,682 3,686 9,688 29,697 1,699 1,703 1,704 1,705 72,706 30,707 4,708 47,710 77,711 33,712 25,713 10,714 14,715 1,717 6,718 7,719 1,721 1,724 2,727 2,729 26,730 7,733 1,737 1,740 1,747 30,748 8,749 1,750 9,751 1,755 5,760 0.833,761 3,776 1,778 1,779 5,783 1,800 1,803 5,807 1,808 1,811 42,817 6,818 1,819 2,822 1,832 1,833 4.2,836 1,838 2,841 20.333,842 13.36,843 9.139,844 4.458,847 5.378,848 1.588,849 1.012,850 8.614,851 14.527,852 4.151,853 4.762,854 5.351,855 5.943,856 6.547,857 6.834,858 7.335,859 7.81,860 8.307,861 8.683,862 0.923,863 65,864 15.518,865 6.63,866 7.657,867 29.813,868 24.57,869 2.157,870 90.611,874 341.362,875 200.336,876 71.247,877 39.149,878 47.145,881 200.336,882 427.655,883 71.247,884 8.825,885 15.979,886 132.667,887 82.448,888 76.91,889 1.899,890 341.362,891 39.149,892 341.362,893 271.583,894 47.145,895 39.149,897 294.278,898 94.229,900 52.126,901 169.345,902 89.26,904 341.362,905 118.391,906 239.485,909 341.362,910 58.844,911 144.617,912 18.011,913 136.405,914 341.362,915 118.391,916 239.485,918 0.58,919 0.336,920 0.18,921 0.096,922 31,923 13,924 0.13,925 10,926 1,927 1.061,928 5.392,929 418.131,930 0.061,931 33,932 214.477,936 28.11,937 12.87,938 6.903,939 1.348,940 118.391,941 25.606,942 13.433,946 5.9,948 18.011,949 699.238,950 62.5,954 12.547,957 -0.437,960 72.301,961 80.461,962 0.257,963 0.589,964 0.772,965 0.887,966 0.899,967 0.899,968 5.381,969 2.051,970 6.232,971 6.734,972 4.875,973 5.451,974 2.237,975 7.011,976 4.786,977 6.58,978 1.955,979 7.768,980 5.894,981 4.369,982 5.198,983 0.325,984 7.811,985 4.215,986 7.879,987 1.85,988 9.399,989 5.764,990 6.441,991 7.653,992 2.908,993 10.904,994 6.274,995 9.212,996 1.695,997 11.088,998 5.467,999 6.758,1000 8.229,1001 0.268,1002 12.534,1003 6.536,1004 10.576,1005 1.414,1006 12.814,1007 3.915,1008 8.265,1009 10.149,1010 3.832,1011 15.129,1012 8.031,1013 11.962,1014 1.168,1015 14.566,1016 3.22,1017 8.974,1018 11.14,1019 0.188,1020 17.128,1021 8.698,1022 13.366,1023 1.039,1024 16.338,1025 3.011,1026 10.245,1027 12.823,1028 4.831,1029 19.546,1030 9.953,1031 3.156,1032 1,1033 18.125,1034 2.483,1035 11.152,1036 14.042,1037 0.125,1038 21.718,1039 10.826,1040 2.928,1041 10.515,1042 19.924,1043 2.403,1044 12.322,1045 15.612,1046 5.852,1047 24.073,1048 11.977,1049 2.788,1050 9.682,1051 21.733,1052 4.519,1053 13.33,1054 16.957,1055 0.082,1056 26.327,1057 12.956,1058 2.685,1059 8.666,1060 23.551,1061 3.995,1062 14.459,1063 18.477,1064 6.88,1065 28.661,1066 14.065,1067 2.543,1068 7.724,1069 25.377,1070 3.675,1071 15.52,1072 19.89,1073 0.054,1074 30.954,1075 15.099,1076 2.389,1077 7.032,1078 27.208,1079 3.651,1080 16.636,1081 21.389,1082 7.91,1083 33.283,1084 16.194,1085 2.253,1086 6.899,1087 29.046,1088 3.208,1089 17.724,1090 22.84,1091 0.035,1092 35.597,1093 17.258,1094 34216,1095 54750,1096 32.304,1097 50.148,1098 70.023,1099 71.785,1100 70.351,1101 69.896,1102 69.77,1103 92.377,1104 7.469,1105 196.873,1106 66.568,1107 5.545,1108 5.684,1109 6.396,1110 5.217,1111 5.156,1112 7.519,1113 3.349,1114 17.411,1115 5.076,1116 15.571,1117 1.49,1118 1.527,1119 1.497,1120 1.487,1121 1.484,1122 1.965,1123 0.159,1124 4.189,1125 1.416,1126 4.102,1127 4.132,1128 4.11,1129 4.023,1130 7.433,1131 4.029,1132 3.924,1133 3.956,1134 3.935,1135 3.846,1136 5.171,1137 3.845,1138 3.919,1139 3.944,1140 3.858,1141 3.828,1142 4.946,1143 3.832,1144 3.842,1145 3.898,1146 3.826,1147 3.753,1148 4.849,1149 3.755,1150 3.819,1151 3.846,1152 3.71,1153 3.677,1154 4.731,1155 3.675,1156 3.449,1157 3.508,1158 3.401,1159 3.234,1160 4.498,1161 3.261,1162 3.366,1163 3.434,1164 3.381,1165 3.174,1166 4.473,1167 3.179,1168 3.272,1169 3.283,1170 3.218,1171 3.077,1172 4.385,1173 3.094,1174 0.098,1175 0.078,1176 0.14,1177 0.088,1178 0.067,1179 4.586,1180 0.096,1181 3.684,1182 0.036,1183 6.594,1184 0.224,1185 4.131,1186 0.065,1187 3.156,1188 4.519,1189 1.674,1190 10.515,1191 3.076,1192 2.037,1193 2.016,1194 2.094,1195 2.137,1196 1.246,1197 2.123,1198 1.901,1199 1.879,1200 2.014,1201 2.004,1202 1.211,1203 2.004,1204 1.882,1205 1.857,1206 1.988,1207 1.983,1208 1.152,1209 1.988,1210 1.801,1211 1.78,1212 1.882,1213 1.898,1214 1.071,1215 1.899,1216 1.591,1217 1.517,1218 1.86,1219 1.827,1220 1.055,1221 1.833,1222 1.577,1223 1.507,1224 1.826,1225 1.751,1226 0.999,1227 1.793,1228 1.332,1229 1.268,1230 1.555,1231 1.58,1232 0.787,1233 1.568,1234 1.212,1235 1.16,1236 1.509,1237 1.447,1238 0.606,1239 1.469,1240 4.554,1242 5.872,1243 2.398,1244 7.378,1245 4.443,1246 8.971,1247 6.26,1248 10.612,1250 1.964,1251 6.559,1256 6.531,1257 3.228,1258 11.501,1261 2.431,1267 47.927,1268 114.198,1269 261.516,1270 343.157,1271 393.97,1272 399.48,1273 399.48,1274 68.873,1275 9.148,1276 89.47,1277 89.47,1278 35,1279 12.904,1280 4.954,1281 4.044,1282 62.102,1283 269,1284 288,1285 0.11,1286 293.339,1287 507.78,1288 707.508,1289 163927,1290 1.4,1291 28.89,1292 0.688,1293 0.571,1294 29.39,1295 23.973,1296 20.513,1297 0.436,1298 0.305,1299 13.825,1300 19.539,1301 13.493,1302 11.157,1303 20.802,1304 14.34,1305 18.447,1306 0.284,1307 0.164,1308 18.818,1309 10.647,1310 15.632,1311 0.184,1312 0.089,1313 15.99,1314 7.534,1315 13.012,1316 0.118,1317 0.048,1318 13.299,1319 5.239,1320 10.522,1321 0.076,1322 0.024,1323 10.814,1324 3.28,1325 0.181,1326 130.894,1327 0.176,1328 38.528,1329 0.28,1330 224,1331 646.323,1332 259.391,1333 656.219,1334 901.03,1335 616,1336 262,1337 656.871,1338 293.892,1339 672.44,1340 984.24,1341 634,1342 5.602}
{0 CHEMBL428690,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,118 43.8,120 1,121 1,123 1,124 2,126 1,132 1,135 1,138 5,139 3,140 4,150 1,163 6,167 7,172 5,173 12,177 3,180 1,182 3,184 7,187 1,188 9,191 3,192 1,193 4,195 10,200 3,203 1,204 1,205 3,208 5,212 1,213 6,216 2,218 4,221 10,225 1,228 1,229 1,230 4,233 7,236 1,237 2,240 1,242 7,245 7,249 1,254 5,257 2,260 1194,261 18.499,262 18.499,263 18.499,264 18.499,265 18.499,266 16.626,267 20.975,268 10.547,269 18.887,270 15.261,271 15.261,272 15.261,273 15.261,274 15.261,275 12.373,276 26.694,277 4.972,278 15.985,279 3.964,280 1.681,281 0.674,282 0.307,283 0.224,284 0.224,285 4.066,286 1,288 1,289 1,290 553,291 2.449,294 286.945,298 111.001,301 1.217,302 47.636,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 61.833,314 257,315 4.68,316 3.71,317 7.072,318 4.331,319 3.355,320 4.38,321 0.86,322 12.191,323 3.274,324 4.328,325 3.357,326 6.511,327 3.955,328 2.991,329 3.939,330 0.8,331 10.125,332 2.89,333 4.047,334 3.221,335 6.393,336 3.805,337 2.836,338 3.385,340 9.659,341 2.725,342 3.67,343 2.916,344 5.686,345 3.402,346 2.441,347 2.942,349 7.384,350 2.336,351 3.508,352 2.645,353 5.27,354 3.116,355 2.189,356 2.654,358 6.377,359 2.02,360 3.267,361 2.55,362 5.016,363 2.903,364 1.979,365 2.499,367 5.617,368 1.812,369 3.087,370 2.273,371 4.948,372 2.779,373 1.829,374 2.17,376 5.502,377 1.726,378 2.963,379 2.142,380 4.719,381 2.65,382 1.673,383 2.017,385 4.653,386 1.609,387 2.86,388 1.68,389 4.184,390 2.352,391 1.414,392 1.986,394 3.565,395 1.307,396 2.572,397 1.589,398 3.922,399 2.324,400 1.365,401 1.548,403 3.106,404 1.249,405 2.384,406 1.186,407 3.589,408 2.046,409 1.071,410 1.376,411 2.745,412 1.037,413 1.581,414 0.818,415 3.418,416 1.382,417 0.444,418 0.481,419 1.154,420 0.412,421 1.393,422 0.768,423 3.084,424 0.931,425 -0.013,426 -0.016,427 -0.035,428 -0.011,429 1.159,430 0.364,431 2.696,432 0.696,433 -0.252,434 -0.275,435 -0.615,436 -0.204,437 0.876,438 0.093,439 2.523,440 0.636,441 -0.275,442 -0.387,443 -0.689,444 -0.244,445 13.281,446 0.474,447 0.895,448 0.032,449 34.5,450 1.232,451 16.5,452 0.589,453 18,454 0.643,455 25.875,456 0.924,457 30.519,458 0.636,459 28.891,460 1.032,461 6.776,462 0.242,463 6.587,464 0.235,465 0.192,467 0.444,471 0.873,472 1.115,473 0.646,474 0.899,475 0.849,476 0.837,477 0.804,478 1.014,479 0.673,480 0.896,481 0.616,482 0.841,483 0.989,484 1.074,485 0.86,486 1.032,487 0.93,488 0.985,489 0.789,490 0.975,491 0.808,492 0.994,493 0.718,494 0.917,495 1.364,496 0.904,497 0.988,498 0.883,499 1.281,500 0.91,501 1.137,502 0.949,503 0.828,504 0.899,505 1.198,506 0.92,507 1.051,508 1.153,509 0.869,510 1.036,511 1.263,512 1.043,513 1.388,514 1.055,515 1.27,516 1.081,517 1.588,518 1.181,519 6,520 0.091,521 3.778,522 3.125,523 2.316,524 1.465,525 1.157,526 0.639,527 0.39,528 0.138,529 8277,530 25573,531 2.051,532 41.7,534 14,537 3,539 3,542 1.72,543 1.867,544 3.146,545 0.917,546 1,547 1,550 77.791,551 1.621,552 3.904,553 4.911,554 5.278,555 5.361,556 5.361,557 2.594,558 4.45,559 4.78,560 3.27,561 1236.14,562 8.363,563 15412.4,565 1,567 1,568 268.078,569 1.531,570 4.711,571 0.194,572 0.011,573 0.082,574 0.06,575 0.045,576 0.031,577 0.026,578 0.016,579 0.013,580 0.007,581 0.484,582 0.5,583 1,584 0.648,585 136.101,586 -0.119,587 0.009,588 -0.008,589 0.08,590 -0.13,591 0.069,592 -0.078,593 0.11,594 0.044,595 0.064,596 0.01,597 0.087,598 -0.076,599 -0.052,600 -0.007,601 -0.055,602 -0.074,603 -0.032,604 0.259,605 -0.015,606 0.142,607 -0.019,608 0.234,609 0.058,610 -0.134,611 0.049,612 -0.067,613 0.076,614 -0.115,615 0.031,616 -0.013,617 0.031,618 0.037,619 0.055,620 -0.015,621 0.024,622 -0.01,623 -0.153,624 -0.013,625 -0.08,626 0.021,627 -0.1,628 -0.137,629 -0.097,630 -0.182,631 -0.104,632 -0.207,633 -0.244,634 2.114,635 5.769,636 0.786,637 21.786,638 1.019,639 1.118,640 2.232,641 4.982,642 0.682,643 3.466,644 3.85,645 4.174,646 4.511,647 4.779,648 4.942,649 5.094,650 5.247,651 5.342,652 5.357,653 5.48,654 0.66,655 401.87,656 3.466,657 5.043,658 5.927,659 6.845,660 7.747,661 8.672,662 9.583,663 10.511,664 11.427,665 12.357,666 2.1,669 1,681 5,686 7,688 12,692 1,702 2,703 1,704 1,705 48,706 14,707 2,708 31,710 51,711 21,712 12,713 7,714 5,715 3,717 4,718 5,719 1,724 2,725 1,727 2,729 15,730 6,731 1,733 2,737 1,738 1,740 2,744 1,747 20,748 6,749 3,750 7,751 1,755 1,760 0.75,761 5,763 1,779 4,783 1,795 2,800 1,801 1,803 3,807 1,808 1,811 28,816 3,817 3,819 1,821 2,822 1,832 1,833 10.4,834 1,835 2,836 1,838 1,841 15,842 8.693,843 6,844 2.776,847 2.696,848 1.347,849 0.919,850 5.099,851 10.458,852 3.689,853 4.304,854 4.894,855 5.485,856 6.015,857 6.353,858 6.695,859 7.089,860 7.422,861 7.706,862 1,863 52,864 10.505,865 4.798,866 8.028,867 19.44,868 16.632,869 2.528,870 70.778,873 1,874 200.109,875 100.677,876 3.124,877 39.149,878 164.195,881 100.677,882 403.452,883 3.124,884 8.396,885 6.746,886 99.541,887 120.889,888 32.425,890 200.109,891 39.149,892 200.109,893 103.802,894 164.195,895 39.149,897 164.795,898 156.825,899 42.683,900 9.87,901 79.212,902 53.868,904 200.109,905 167.319,906 139.826,909 200.109,910 35.424,911 68.378,913 203.343,914 200.109,915 167.319,916 139.826,918 0.598,919 0.361,920 0.206,921 0.113,922 24,923 12,924 0.039,925 2,926 1,927 1.091,928 3.692,929 264.84,930 0.091,931 22,932 134.606,936 19.273,937 7.408,938 3.43,940 167.319,941 8.076,946 0.759,948 128.05,949 507.254,950 39,954 12.769,955 1.273,957 -0.214,960 48.898,961 53.641,962 0.29,963 0.699,964 0.879,965 0.945,966 0.96,967 0.96,968 4.977,969 1.673,970 5.953,971 5.502,972 4.533,973 4.99,974 1.235,975 6.843,976 4.444,977 6.204,978 1.414,979 7.565,980 4.653,981 4.29,982 4.924,983 0.325,984 7.892,985 4.143,986 7.535,987 1.365,988 9.276,989 3.565,990 6.201,991 7.18,992 0.938,993 11.052,994 6.053,995 8.899,996 1.071,997 11.045,998 3.106,999 6.735,1000 7.9,1001 0.268,1002 12.926,1003 6.541,1004 10.295,1005 0.444,1006 12.851,1007 2.745,1008 8.171,1009 9.69,1010 0.732,1011 15.627,1012 7.973,1013 11.714,1014 -0.013,1015 14.684,1016 1.154,1017 9.061,1018 10.784,1019 0.188,1020 17.847,1021 8.828,1022 13.153,1023 -0.252,1024 16.536,1025 -0.035,1026 10.323,1027 12.385,1028 0.57,1029 20.393,1030 10.077,1031 3.355,1032 -0.275,1033 18.403,1034 -0.615,1035 11.373,1036 13.663,1037 0.125,1038 22.761,1039 11.099,1040 2.991,1041 12.191,1042 20.282,1043 -0.689,1044 12.574,1045 15.182,1046 0.438,1047 25.257,1048 12.283,1049 2.836,1050 10.125,1051 22.171,1052 4.38,1053 13.697,1054 16.55,1055 0.082,1056 27.69,1057 13.381,1058 2.441,1059 9.659,1060 24.069,1061 3.939,1062 14.881,1063 18.034,1064 0.334,1065 30.173,1066 14.544,1067 2.189,1068 7.384,1069 25.972,1070 3.385,1071 16.037,1072 19.447,1073 0.054,1074 32.636,1075 15.677,1076 1.979,1077 6.377,1078 27.882,1079 2.942,1080 17.219,1081 20.917,1082 0.252,1083 35.12,1084 16.838,1085 1.829,1086 5.617,1087 29.796,1088 2.654,1089 18.393,1090 22.355,1091 0.035,1092 37.597,1093 17.99,1094 8013,1095 14218,1096 20.115,1097 32.75,1098 47.97,1099 49.277,1100 50.464,1101 47.407,1102 47.178,1103 58.757,1104 3.32,1105 144.157,1106 44.794,1107 5.68,1108 5.71,1109 6.757,1110 5.432,1111 5.355,1112 7.38,1113 1.72,1114 19.814,1115 5.274,1116 16.158,1117 1.547,1118 1.59,1119 1.628,1120 1.529,1121 1.522,1122 1.895,1123 0.107,1124 4.65,1125 1.445,1126 4.063,1127 4.072,1128 4.071,1129 3.98,1130 7.428,1131 3.989,1132 3.892,1133 3.92,1134 3.94,1135 3.837,1136 6.492,1137 3.831,1138 3.777,1139 3.816,1140 3.692,1141 3.627,1142 6.449,1143 3.633,1144 3.456,1145 3.474,1146 3.42,1147 3.323,1148 6.444,1149 3.335,1150 3.254,1151 3.324,1152 3.285,1153 3.042,1154 4.967,1155 3.046,1156 3.148,1157 3.222,1158 3.115,1159 2.945,1160 4.699,1161 2.931,1162 2.997,1163 3.011,1164 2.961,1165 2.824,1166 4.34,1167 2.828,1168 2.88,1169 2.922,1170 2.886,1171 2.784,1172 4.3,1173 2.765,1174 0.151,1175 0.12,1176 0.228,1177 0.14,1178 0.108,1179 4.68,1180 0.141,1181 3.71,1182 0.028,1183 7.072,1184 0.393,1185 4.331,1186 0.106,1187 3.355,1188 4.38,1189 0.86,1190 12.191,1191 3.274,1192 1.991,1193 1.984,1194 2.077,1195 2.1,1196 1.426,1197 2.092,1198 1.885,1199 1.863,1200 1.993,1201 1.985,1202 1.128,1203 1.992,1204 1.734,1205 1.693,1206 1.869,1207 1.891,1208 1.029,1209 1.89,1210 1.403,1211 1.383,1212 1.587,1213 1.574,1214 0.781,1215 1.569,1216 1.226,1217 1.147,1218 1.501,1219 1.477,1220 0.712,1221 1.488,1222 1.145,1223 1.071,1224 1.472,1225 1.398,1226 0.562,1227 1.427,1228 0.911,1229 0.888,1230 1.176,1231 1.173,1232 0.38,1233 1.15,1234 0.868,1235 0.824,1236 1.124,1237 1.037,1238 0.18,1239 1.072,1240 4.143,1242 5.509,1244 7.083,1246 8.758,1248 10.486,1250 1.907,1251 6.246,1255 31.412,1256 1.726,1258 6.002,1260 -1.171,1261 1.992,1267 31.691,1268 77.791,1269 187.395,1270 235.714,1271 253.323,1272 257.323,1273 257.323,1274 75.75,1275 7.763,1276 94.14,1277 94.14,1278 24,1279 12.861,1280 3.907,1281 3.17,1282 41.985,1283 89,1284 100,1285 0.23,1286 194.325,1287 349.66,1288 465.914,1289 23209,1290 2.1,1291 19.999,1292 0.714,1293 0.571,1294 20.499,1295 15.979,1296 13.363,1297 0.431,1298 0.303,1299 8.911,1300 12.577,1301 8.688,1302 7.114,1303 13.652,1304 9.385,1305 12.703,1306 0.276,1307 0.166,1308 13.073,1309 7.619,1310 10.729,1311 0.168,1312 0.088,1313 11.087,1314 5.623,1315 9.774,1316 0.109,1317 0.046,1318 10.095,1319 4.129,1320 7.63,1321 0.065,1322 0.024,1323 7.839,1324 2.889,1325 0.344,1326 87.177,1327 0.223,1328 25.805,1329 0.687,1330 154,1331 479.769,1332 183.89,1333 486.378,1334 643.28,1335 450,1336 187,1337 441.866,1338 214.054,1339 455.072,1340 675.25,1341 428,1342 5}
{0 CHEMBL436137,1 1.41,2 15.529,3 6.981,4 48.73,5 139.006,6 6.979,7 0.605,8 4.26,9 4.388,10 3.787,11 3.82,12 5.284,13 3.783,14 4.808,15 4.999,16 4.137,17 4.212,18 5.76,19 4.154,20 5.036,21 5.249,22 4.176,23 4.349,24 5.96,25 4.258,26 5.092,27 5.335,28 4.107,29 4.343,30 5.957,31 4.228,32 5.087,33 5.327,34 4.058,35 4.3,36 5.988,37 4.179,38 5.06,39 5.34,40 3.993,41 4.204,42 5.903,43 4.094,44 4.842,45 5.059,46 3.929,47 4.141,48 5.813,49 4.035,50 4.905,51 5.184,52 3.709,53 4.052,54 5.744,55 3.902,56 0.078,57 0.963,58 14.278,59 6.019,60 11.092,61 8.289,62 0.259,63 1.567,64 26.553,65 10.074,66 24.413,67 14.164,68 0.38,69 1.887,70 34.18,71 12.526,72 36.037,73 17.848,74 0.261,75 1.927,76 36.646,77 13.637,78 34.762,79 19.769,80 0.333,81 1.906,82 36.678,83 13.21,84 43.851,85 19.18,86 0.39,87 1.82,88 37.091,89 12.005,90 42.588,91 17.979,92 0.31,93 1.585,94 27.944,95 9.858,96 36.561,97 14.557,98 0.362,99 1.562,100 31.389,101 10.68,102 39.757,103 16.003,104 10,105 53,106 0.223,107 0.534,108 0.71,109 0.785,110 0.805,111 0.805,112 3.56,113 0.948,114 -5.73,115 -5.59,116 -5.21,118 43.1,119 3,120 2,124 4,138 9,139 5,140 2,142 2,146 1,159 1,163 16,166 1,167 6,170 2,172 2,173 19,176 2,177 8,180 1,182 2,184 20,188 10,193 1,195 16,200 16,203 1,205 3,208 8,213 12,218 1,221 7,224 2,225 9,230 1,233 13,236 1,237 2,240 1,242 2,245 12,249 1,254 4,257 4,260 2202,261 23.239,262 23.239,263 23.239,264 23.239,265 23.239,266 20.438,267 28.483,268 13.736,269 23.686,270 18.782,271 18.782,272 18.782,273 18.782,274 18.782,275 14.613,276 37.276,277 6.563,278 19.514,279 4.612,280 2.639,281 1.528,282 1.054,283 0.927,284 0.927,285 4.269,289 1,290 1167,291 3.082,293 112.717,294 424.343,298 161.851,301 2.678,302 18.328,305 0.75,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.84,313 71.5,314 528,315 4.605,316 3.256,317 6.749,318 4.181,319 3.19,320 4.526,321 0.86,322 10.965,323 3.165,324 4.365,325 3.05,326 6.459,327 3.932,328 2.957,329 4.074,330 0.8,331 9.979,332 2.884,333 4.059,334 2.946,335 5.6,336 3.647,337 2.689,338 3.652,339 0.4,340 7.728,341 2.576,342 3.735,343 2.828,344 5.364,345 3.47,346 2.543,347 3.175,349 7.03,350 2.355,351 3.544,352 2.667,353 5.309,354 3.313,355 2.382,356 2.812,358 6.877,359 2.215,360 3.45,361 2.224,362 5.127,363 3.043,364 2.078,365 2.779,367 6.066,368 2.002,369 3.411,370 2.147,371 5.067,372 2.972,373 1.986,374 2.577,376 5.801,377 1.955,378 3.267,379 2.093,380 4.9,381 2.879,382 1.879,383 2.524,385 5.562,386 1.879,387 3.232,388 1.947,389 4.841,390 2.814,391 1.861,392 2.481,394 5.104,395 1.763,396 2.722,397 1.612,398 3.93,399 2.381,400 1.414,401 1.828,403 3.038,404 1.361,405 2.5,406 1.267,407 3.648,408 2.234,409 1.24,410 1.5,411 3.008,412 1.232,413 2.451,414 1.207,415 3.609,416 2,417 1,418 1.449,419 2.446,420 1,421 2.426,422 1.067,423 3.414,424 1.944,425 0.982,426 1.395,427 2.275,428 0.942,429 1.995,430 1,431 3.226,432 1.864,433 0.94,434 0.977,435 2.074,436 0.86,437 1.618,438 0.744,439 3.035,440 1.591,441 0.618,442 0.618,443 1.372,444 0.6,445 16.333,446 0.48,447 0.78,448 0.023,449 44.75,450 1.316,451 23,452 0.676,453 21.75,454 0.64,455 30.324,456 0.892,457 35.867,458 0.552,459 33.131,460 0.974,461 8.617,462 0.253,463 7.947,464 0.234,465 0.092,467 0.331,471 0.827,472 1.256,473 0.837,474 1.092,475 0.832,476 0.987,477 1.063,478 1.014,479 0.864,480 0.931,481 0.708,482 0.889,483 1.185,484 1.051,485 1.046,486 1.024,487 0.985,488 1.025,489 0.971,490 1.095,491 0.955,492 1.034,493 0.95,494 1,495 1.126,496 1.203,497 1.059,498 1.125,499 1.219,500 1.096,501 1.338,502 0.854,503 0.872,504 0.709,505 1.169,506 0.735,507 0.962,508 1.228,509 1.163,510 1.164,511 1.145,512 1.171,513 0.963,514 0.875,515 1.054,516 0.927,517 1.296,518 0.977,519 6.5,520 0.177,521 3.333,522 2.347,523 1.778,524 1.108,525 0.876,526 0.375,527 0.312,528 0.2,529 20389,530 41576,531 2.145,532 47.7,533 9,534 17,537 1,539 4,542 1.752,543 2.04,544 3.841,545 -0.421,550 91.658,551 1.41,552 3.383,553 4.494,554 4.968,555 5.095,556 5.095,557 3.329,558 4.337,559 5.052,560 4.093,561 2295.9,562 8.821,563 37302.6,568 391.454,569 1.286,570 5.033,571 0.171,572 0.007,573 0.063,574 0.044,575 0.036,576 0.025,577 0.02,578 0.009,579 0.01,580 0.008,581 0.394,582 0.17,583 0.75,584 0.459,585 186.743,586 0.09,587 -0.086,588 0.076,589 -0.04,590 0.044,591 0.007,592 0.084,593 0.079,594 0.102,595 0.071,596 0.231,597 0.083,598 0.009,599 0.002,600 -0.065,601 -0.037,602 0.068,603 -0.057,604 -0.024,605 -0.102,606 0.02,607 -0.039,608 0.061,609 -0.01,610 -0.002,611 -0.207,612 -0.07,613 -0.143,614 -0.062,615 -0.121,616 -0.112,617 0.127,618 0.153,619 0.23,620 0.018,621 0.221,622 0.034,623 -0.14,624 -0.195,625 -0.194,626 -0.003,627 -0.212,629 0.118,630 -0.055,631 0.022,632 -0.148,633 -0.011,634 1.182,635 2.398,636 0.794,637 48.664,638 0.99,639 1.125,640 4.498,641 20.235,642 0.667,643 3.664,644 3.989,645 4.263,646 4.533,647 4.727,648 4.82,649 4.977,650 5.136,651 5.273,652 5.361,653 9.001,654 0.626,655 453.64,656 3.664,657 5.209,658 6.061,659 6.938,660 7.803,661 8.685,662 9.556,663 10.441,664 11.317,665 12.206,666 7.7,669 1,674 1,676 3,679 1,680 2,681 9,682 3,686 8,688 23,699 1,703 1,705 65,706 23,707 3,708 38,710 69,711 28,712 19,713 9,714 9,717 5,718 6,721 3,724 2,727 2,729 19,730 9,747 31,748 6,749 1,750 6,755 5,760 0.8,761 1,776 1,778 1,779 4,783 1,800 1,803 4,807 3,811 34,817 6,818 1,819 1,822 1,833 1.5,838 1,841 16.667,842 12.717,843 7.389,844 4.13,847 4.389,848 1.522,849 1.007,850 6.642,851 12.801,852 3.922,853 4.549,854 5.15,855 5.764,856 6.36,857 6.694,858 7.178,859 7.68,860 8.147,861 8.487,862 1,863 53,864 12.558,865 5.263,866 7.461,867 24.736,868 20.472,869 1.961,870 66.667,874 353.133,875 157.856,876 71.247,878 11,881 157.856,882 364.133,883 71.247,884 26.476,885 15.979,886 85.286,887 50.112,888 60.351,889 1.899,890 353.133,892 353.133,893 229.102,894 11,897 306.049,898 58.084,900 69.777,901 109.214,902 50.112,904 353.133,905 82.246,906 157.856,909 353.133,910 46.094,911 114.886,912 18.011,913 61.111,914 353.133,915 82.246,916 157.856,918 0.582,919 0.34,920 0.186,921 0.094,922 26,923 11,924 0.101,925 7,926 1,927 1.074,928 4.68,929 313.918,930 0.074,931 27,932 154.974,936 22.615,937 9.986,938 5.18,939 1.652,940 82.246,941 18.553,942 13.549,946 8.239,948 18.011,949 593.235,950 49.5,960 64.323,961 73.099,962 0.234,963 0.562,964 0.746,965 0.825,966 0.846,967 0.846,968 5.158,969 1.879,970 6.038,971 5.801,972 4.673,973 5.236,974 1.324,975 6.834,976 4.604,977 6.362,978 1.861,979 7.584,980 5.562,981 4.205,982 5.047,983 0.325,984 7.689,985 4.107,986 7.669,987 1.414,988 9.229,989 5.104,990 6.252,991 7.468,992 0.958,993 10.797,994 6.123,995 9.012,996 1.24,997 10.933,998 3.038,999 6.608,1000 8.11,1001 0.268,1002 12.51,1003 6.463,1004 10.386,1005 1,1006 12.677,1007 3.008,1008 8.101,1009 10.006,1010 0.736,1011 15.134,1012 7.932,1013 11.784,1014 0.982,1015 14.449,1016 2.446,1017 8.852,1018 11.059,1019 0.188,1020 17.223,1021 8.677,1022 13.201,1023 0.94,1024 16.243,1025 2.275,1026 10.12,1027 12.73,1028 0.57,1029 19.682,1030 9.929,1031 3.19,1032 0.618,1033 18.055,1034 2.074,1035 11.066,1036 13.997,1037 0.125,1038 21.936,1039 10.874,1040 2.957,1041 10.965,1042 19.882,1043 1.372,1044 12.244,1045 15.565,1046 0.439,1047 24.337,1048 12.041,1049 2.689,1050 9.979,1051 21.721,1052 4.526,1053 13.286,1054 16.943,1055 0.082,1056 26.661,1057 13.083,1058 2.543,1059 7.728,1060 23.569,1061 4.074,1062 14.43,1063 18.465,1064 0.334,1065 29.043,1066 14.22,1067 2.382,1068 7.03,1069 25.427,1070 3.652,1071 15.519,1072 19.9,1073 0.054,1074 31.397,1075 15.308,1076 2.078,1077 6.877,1078 27.291,1079 3.175,1080 16.653,1081 21.403,1082 0.252,1083 33.775,1084 16.438,1085 1.986,1086 6.066,1087 29.161,1088 2.812,1089 17.766,1090 22.867,1091 0.035,1092 36.143,1093 17.55,1094 18794,1095 27089,1096 25.948,1097 43.381,1098 56.318,1099 56.652,1100 57.368,1101 56.334,1102 56.325,1103 73.711,1104 4.12,1105 160.697,1106 54.344,1107 5.564,1108 5.256,1109 6.407,1110 5.267,1111 5.19,1112 7.526,1113 1.72,1114 17.862,1115 5.165,1116 13.666,1117 1.482,1118 1.491,1119 1.51,1120 1.482,1121 1.482,1122 1.94,1123 0.108,1124 4.229,1125 1.43,1126 4.105,1127 4.137,1128 4.074,1129 4.034,1130 5.167,1131 4.037,1132 3.923,1133 3.958,1134 3.864,1135 3.833,1136 4.848,1137 3.837,1138 3.876,1139 3.925,1140 3.815,1141 3.787,1142 4.747,1143 3.789,1144 3.83,1145 3.878,1146 3.71,1147 3.677,1148 4.453,1149 3.675,1150 3.447,1151 3.508,1152 3.372,1153 3.234,1154 4.38,1155 3.259,1156 3.363,1157 3.434,1158 3.216,1159 3.172,1160 4.263,1161 3.176,1162 3.266,1163 3.35,1164 3.067,1165 3.125,1166 4.122,1167 3.101,1168 3.19,1169 3.262,1170 3.047,1171 3.061,1172 3.966,1173 3.046,1174 0.121,1175 0.086,1176 0.178,1177 0.11,1178 0.084,1179 4.605,1180 0.119,1181 3.256,1182 0.023,1183 6.749,1184 0.289,1185 4.181,1186 0.083,1187 3.19,1188 4.526,1189 0.86,1190 10.965,1191 3.165,1192 2.053,1193 2.031,1194 2.127,1195 2.144,1196 1.291,1197 2.135,1198 1.893,1199 1.866,1200 1.998,1201 2.007,1202 1.211,1203 2.007,1204 1.846,1205 1.819,1206 1.959,1207 1.95,1208 1.152,1209 1.955,1210 1.591,1211 1.517,1212 1.86,1213 1.828,1214 1.09,1215 1.834,1216 1.577,1217 1.507,1218 1.826,1219 1.751,1220 1.05,1221 1.793,1222 1.332,1223 1.266,1224 1.639,1225 1.579,1226 0.787,1227 1.569,1228 1.303,1229 1.226,1230 1.556,1231 1.507,1232 0.719,1233 1.557,1234 1.21,1235 1.144,1236 1.509,1237 1.446,1238 0.609,1239 1.468,1240 4.344,1242 5.666,1243 2.398,1244 7.18,1245 4.443,1246 8.786,1247 6.26,1248 10.443,1250 6.359,1256 6.698,1257 3.267,1258 5.898,1261 2.451,1267 40.67,1268 91.658,1269 219.892,1270 292.131,1271 322.925,1272 331.189,1273 331.189,1274 45.082,1275 8.412,1276 63.17,1277 63.17,1278 29,1279 12.738,1280 4.585,1281 3.644,1282 50.511,1283 184,1284 188,1285 0.132,1286 248.155,1287 422.31,1288 597.259,1289 63294,1291 23.493,1292 0.691,1293 0.592,1294 23.493,1295 20.136,1296 16.564,1297 0.436,1298 0.316,1299 11.881,1300 16.07,1301 11.481,1302 9.572,1303 16.564,1304 12.006,1305 14.978,1306 0.283,1307 0.172,1308 14.978,1309 9.11,1310 12.678,1311 0.181,1312 0.093,1313 12.678,1314 6.506,1315 10.873,1316 0.118,1317 0.052,1318 10.873,1319 4.742,1320 8.262,1321 0.074,1322 0.024,1323 8.262,1324 2.737,1325 0.216,1326 102.627,1327 0.196,1328 32.355,1329 0.338,1330 182,1331 448.649,1332 195.34,1333 443.669,1334 629.8,1335 420,1336 214,1337 486.1,1338 228.202,1339 495.874,1340 723.87,1341 467,1342 8.921}
{0 CHEMBL440084,1 1.606,2 10.207,3 3.447,4 11.883,5 105.223,6 8.543,7 0.697,8 3.957,9 4.051,10 3.643,11 3.535,12 5.176,13 3.553,14 4.434,15 4.545,16 4.02,17 3.915,18 5.695,19 3.921,20 4.594,21 4.749,22 4.013,23 3.993,24 5.775,25 3.97,26 4.636,27 4.811,28 3.971,29 3.955,30 5.818,31 3.931,32 4.634,33 4.841,34 3.904,35 3.946,36 5.704,37 3.9,38 4.537,39 4.718,40 3.938,41 3.936,42 5.626,43 3.901,44 4.564,45 4.719,46 3.968,47 3.968,48 5.784,49 3.929,50 4.65,51 4.842,52 3.824,53 3.933,54 5.743,55 3.866,56 0.091,57 0.655,58 6.777,59 3.634,60 10.769,61 3.86,62 0.358,63 1.025,64 12.66,65 6.118,66 30.868,67 6.582,68 0.281,69 1.217,70 16.452,71 7.467,72 30.44,73 8.617,74 0.381,75 1.307,76 18.12,77 7.115,78 39.711,79 8.049,80 0.402,81 1.283,82 20.227,83 7.627,84 41.858,85 9.495,86 0.301,87 1.153,88 16.713,89 7.191,90 25.33,91 9.034,92 0.409,93 1.179,94 15.762,95 7.249,96 34.503,97 8.666,98 0.37,99 1.215,100 20.011,101 8.451,102 36.154,103 10.198,104 6,105 47,106 0.27,107 0.585,108 0.727,109 0.843,110 0.879,111 0.879,112 3.409,113 0.819,114 -3.52,115 -3.5,116 -3.34,118 48.9,125 1,138 10,139 3,140 2,141 1,142 2,148 1,151 1,154 1,156 1,157 1,158 1,163 11,166 1,167 7,169 1,170 2,172 2,173 9,175 1,177 11,180 1,182 6,184 4,186 2,187 1,188 9,193 7,195 2,197 2,199 1,200 6,205 4,208 8,211 1,212 1,213 4,216 1,221 14,224 2,225 4,227 1,228 3,229 1,232 1,233 15,236 1,237 6,245 10,249 7,254 1,257 4,259 1,260 1410,261 20.016,262 20.016,263 20.016,264 20.016,265 20.016,266 17.268,267 9.425,268 11.747,269 20.301,270 16.319,271 16.319,272 16.319,273 16.319,274 16.319,275 12.105,276 10.192,277 5.588,278 16.805,279 3.886,280 2.017,281 1.174,282 0.48,283 0.267,284 0.267,285 4.121,287 1,288 1,289 1,290 661,291 2.739,293 145.328,294 257.096,297 117.324,301 1.539,302 27.491,305 1,306 1,307 1,308 0.4,310 1,311 1,312 0.77,313 63,314 296,315 4.579,316 3.5,317 6.753,318 4.181,319 3.216,320 4.316,321 1.392,322 11.107,323 3.103,324 4.266,325 3.33,326 6.197,327 3.871,328 2.912,329 3.898,330 0.98,331 9.258,332 2.832,333 4.169,334 3.163,335 6.09,336 3.79,337 2.799,338 3.757,339 0.532,340 8.836,341 2.726,342 3.913,343 2.699,344 5.879,345 3.55,346 2.562,347 3.388,349 8.04,350 2.525,351 3.745,352 2.459,353 5.714,354 3.362,355 2.392,356 3.149,358 7.621,359 2.31,360 3.296,361 2.074,362 4.752,363 2.814,364 1.84,365 2.62,367 5.082,368 1.787,369 2.998,370 1.991,371 4.378,372 2.514,373 1.534,374 2.177,376 4.219,377 1.501,378 2.886,379 1.854,380 4.271,381 2.478,382 1.527,383 2.025,385 3.759,386 1.439,387 2.736,388 1.658,389 3.937,390 2.267,391 1.277,392 1.787,394 3.112,395 1.258,396 2.5,397 1.385,398 3.713,399 2.092,400 1.096,401 1.5,403 2.65,404 1.088,405 2.5,406 1.04,407 3.458,408 2,409 1,410 1.5,411 2.327,412 1,413 2.462,414 1,415 3.428,416 1.959,417 1,418 1.415,419 2.275,420 0.956,421 2.293,422 1,423 3.414,424 1.894,425 0.912,426 1.208,427 2.157,428 0.892,429 2.156,430 0.823,431 3.247,432 1.718,433 0.787,434 1.097,435 2.136,436 0.731,437 1.628,438 0.688,439 3.034,440 1.319,441 0.39,442 0.468,443 0.975,444 0.359,445 13.6,446 0.469,447 0.657,448 0.023,449 44,450 1.517,451 24.5,452 0.845,453 19.5,454 0.672,455 18.84,456 0.65,457 29,458 0.644,459 33.225,460 1.146,461 8.944,462 0.308,463 5.242,464 0.181,465 0.054,467 0.368,471 0.866,472 1.081,473 0.673,474 0.9,475 0.77,476 0.766,477 0.921,478 1.038,479 0.805,480 0.92,481 0.613,482 0.862,483 0.909,484 1.175,485 0.938,486 1.071,487 0.884,488 1.025,489 1.106,490 1.176,491 1.114,492 1.021,493 1.057,494 1.043,495 0.834,496 0.945,497 0.952,498 0.835,499 0.844,500 0.882,501 0.583,502 0.99,503 0.788,504 0.921,505 0.441,506 0.894,507 0.617,508 0.918,509 0.972,510 1.055,511 0.543,512 1.084,513 0.926,514 0.974,515 1.116,516 1.133,517 0.861,518 1.156,519 5,520 0.123,521 3.556,522 1.542,523 1.532,524 1.153,525 0.513,526 0.323,527 0.36,528 0.249,529 10909,530 32410,531 2.193,532 35.6,534 10,535 2,536 1,537 3,542 1.725,543 2.096,544 3.32,545 0.891,547 1,550 72.271,551 1.606,552 3.474,553 4.318,554 5.012,555 5.225,556 5.225,557 2.767,558 4.306,559 4.825,560 3.507,561 1423.8,562 8.438,563 18918.4,565 1,567 1,568 247.133,569 1.247,570 4.809,571 0.152,572 0.006,573 0.076,574 0.034,575 0.036,576 0.028,577 0.012,578 0.008,579 0.01,580 0.009,581 0.369,582 0.33,583 0.88,584 0.601,585 145.519,586 -0.102,587 -0.021,588 0.032,589 0.016,590 -0.152,591 0.053,592 0.074,593 -0.02,594 -0.005,595 0.016,596 0.084,597 -0.011,598 -0.082,599 -0.168,600 -0.066,601 -0.117,602 -0.032,603 -0.099,604 -0.194,605 -0.105,606 -0.198,607 -0.104,608 -0.147,609 -0.139,610 -0.07,611 0.09,612 0.024,613 0.124,614 -0.082,615 0.108,616 0.095,617 0.02,618 0.118,619 0.049,620 0.066,621 0.082,622 0.187,623 0.101,624 -0.107,625 -0.103,626 0.105,627 -0.159,628 -0.05,629 -0.03,630 -0.133,631 -0.133,632 -0.085,633 -0.141,634 2.133,635 4.338,636 0.897,637 27.581,638 1.015,639 1.114,640 2.293,641 5.256,642 0.71,643 3.526,644 3.871,645 4.19,646 4.477,647 4.718,648 4.898,649 5.1,650 5.263,651 5.434,652 5.572,653 6.293,654 0.698,655 384.42,656 3.526,657 5.081,658 5.953,659 6.843,660 7.732,661 8.63,662 9.527,663 10.43,664 11.332,665 12.238,666 8.9,673 1,674 1,676 2,681 11,682 2,683 1,686 9,688 23,693 1,703 2,705 45,706 24,707 2,708 33,710 49,711 22,712 20,713 5,714 7,715 1,717 5,718 6,729 21,730 1,733 1,737 1,740 1,743 1,744 1,747 16,748 6,749 3,750 7,753 1,755 4,760 0.8,761 3,773 1,778 2,779 3,782 1,803 4,811 29,812 1,817 1,819 2,833 6.7,836 1,838 2,841 13.833,842 8.15,843 6.25,844 2.508,847 3.474,848 1.439,849 1.054,850 4.355,851 11.38,852 3.839,853 4.474,854 5.113,855 5.728,856 6.292,857 6.697,858 7.21,859 7.665,860 8.151,861 8.584,862 0.857,863 46,864 10.65,865 4.635,866 7.799,867 20.075,868 16.64,869 2.299,870 66.667,873 1,874 153.024,875 145.807,876 83.254,878 47.145,881 145.807,882 200.169,883 83.254,885 39.547,886 94.762,887 77.52,888 73.39,889 26.299,890 117.711,892 153.024,893 229.06,894 47.145,897 153.024,898 47.145,900 73.222,901 122.267,902 33.571,904 153.024,905 130.398,906 145.807,909 153.024,910 41.997,911 103.81,912 16.786,913 113.613,914 153.024,915 130.398,916 145.807,918 0.586,919 0.346,920 0.186,921 0.099,922 25,923 10,924 0.082,925 4,926 1,927 1.077,928 4.089,929 271.172,930 0.077,931 26,932 136.881,936 17.619,937 7.169,938 3.29,940 113.613,941 20.149,942 9.283,943 3.367,946 6.527,948 49.683,949 429.229,950 45.5,954 11.338,957 -0.466,960 45.691,961 50.113,962 0.292,963 0.633,964 0.786,965 0.913,966 0.951,967 0.951,968 5.074,969 1.527,970 5.938,971 4.219,972 4.554,973 5.162,974 1.996,975 6.767,976 4.496,977 6.291,978 1.277,979 7.505,980 3.759,981 4.111,982 4.902,984 7.689,985 4.028,986 7.603,987 1.096,988 9.173,989 3.112,990 6.163,991 7.376,992 2.352,993 10.803,994 6.047,995 8.953,996 1,997 10.901,998 2.65,999 6.581,1000 7.965,1002 12.567,1003 6.43,1004 10.336,1005 1,1006 12.668,1007 2.327,1008 8.07,1009 9.87,1010 2.853,1011 15.179,1012 7.894,1013 11.742,1014 0.912,1015 14.46,1016 2.275,1017 8.868,1018 10.856,1020 17.28,1021 8.652,1022 13.165,1023 0.787,1024 16.27,1025 2.157,1026 10.135,1027 12.511,1028 3.428,1029 19.729,1030 9.893,1031 3.216,1032 0.39,1033 18.093,1034 2.136,1035 11.109,1036 13.703,1038 21.981,1039 10.827,1040 2.912,1041 11.107,1042 19.925,1043 0.975,1044 12.288,1045 15.24,1046 4.044,1047 24.378,1048 11.977,1049 2.799,1050 9.258,1051 21.766,1052 4.316,1053 13.346,1054 16.543,1056 26.702,1057 12.995,1058 2.562,1059 8.836,1060 23.612,1061 3.898,1062 14.493,1063 18.024,1064 4.682,1065 29.089,1066 14.11,1067 2.392,1068 8.04,1069 25.464,1070 3.757,1071 15.592,1072 19.388,1074 31.449,1075 15.171,1076 1.84,1077 7.621,1078 27.321,1079 3.388,1080 16.73,1081 20.845,1082 5.331,1083 33.836,1084 16.275,1085 1.534,1086 5.082,1087 29.183,1088 3.149,1089 17.851,1090 22.244,1092 36.216,1093 17.358,1094 10098,1095 17533,1096 22.77,1097 31.955,1098 50.891,1099 51.657,1100 51.076,1101 50.439,1102 50.49,1103 68.61,1104 5.806,1105 147.111,1106 49.016,1107 5.403,1108 5.5,1109 6.555,1110 5.235,1111 5.216,1112 7.316,1113 2.783,1114 18.299,1115 5.103,1116 10.353,1117 1.542,1118 1.565,1119 1.548,1120 1.528,1121 1.53,1122 2.079,1123 0.176,1124 4.458,1125 1.485,1126 4.096,1127 4.13,1128 4.066,1129 3.989,1130 7.437,1131 4.003,1132 3.913,1133 3.927,1134 3.867,1135 3.838,1136 5.077,1137 3.84,1138 3.851,1139 3.881,1140 3.8,1141 3.746,1142 4.958,1143 3.754,1144 3.654,1145 3.699,1146 3.602,1147 3.48,1148 4.896,1149 3.506,1150 3.323,1151 3.366,1152 3.253,1153 3.085,1154 4.793,1155 3.121,1156 3.229,1157 3.273,1158 3.12,1159 2.967,1160 4.566,1161 2.999,1162 2.854,1163 2.925,1164 2.737,1165 2.735,1166 4.262,1167 2.716,1168 2.853,1169 2.906,1170 2.705,1171 2.723,1172 3.969,1173 2.715,1174 0.139,1175 0.106,1176 0.205,1177 0.127,1178 0.097,1179 4.579,1180 0.131,1181 3.5,1182 0.042,1183 6.753,1184 0.337,1185 4.181,1186 0.094,1187 3.216,1188 4.316,1189 1.392,1190 11.107,1191 3.103,1192 1.925,1193 1.902,1194 2.017,1195 2.022,1196 1.115,1197 2.02,1198 1.908,1199 1.888,1200 1.986,1201 1.998,1202 1.109,1203 1.996,1204 1.805,1205 1.774,1206 1.913,1207 1.912,1208 0.957,1209 1.914,1210 1.377,1211 1.329,1212 1.492,1213 1.636,1214 0.581,1215 1.597,1216 1.276,1217 1.25,1218 1.441,1219 1.522,1220 0.557,1221 1.489,1222 1.154,1223 1.12,1224 1.373,1225 1.469,1226 0.394,1227 1.445,1228 1.033,1229 0.969,1230 1.212,1231 1.33,1232 0.218,1233 1.299,1234 0.886,1235 0.821,1236 1.181,1237 1.062,1238 0.166,1239 1.107,1240 4.205,1242 5.541,1243 3.045,1244 7.071,1245 5.352,1246 8.683,1247 7.424,1248 10.34,1254 5.335,1256 0.212,1258 10.922,1267 31.391,1268 72.271,1269 156.351,1270 194.304,1271 225.524,1272 235.133,1273 235.133,1274 38.504,1275 7.905,1276 103.12,1277 103.12,1278 28,1279 12.757,1280 4.644,1281 3.755,1282 39.355,1283 106,1284 118,1285 0.178,1286 188.872,1287 322.45,1288 452.608,1289 27488,1291 19.794,1292 0.683,1293 0.526,1294 19.794,1295 15.254,1296 14.187,1297 0.43,1298 0.273,1299 8.867,1300 13.641,1301 8.719,1302 7.194,1303 14.187,1304 9.005,1305 12.9,1306 0.274,1307 0.139,1308 12.9,1309 6.534,1310 11.317,1311 0.174,1312 0.073,1313 11.317,1314 4.714,1315 9.587,1316 0.11,1317 0.037,1318 9.587,1319 3.251,1320 7.632,1321 0.069,1322 0.02,1323 7.632,1324 2.173,1325 0.273,1326 89.073,1327 0.21,1328 27.219,1329 0.506,1330 160,1331 492.142,1332 176.432,1333 474.217,1334 659.21,1335 446,1336 192,1337 495.926,1338 208.796,1339 502.129,1340 741.03,1341 473,1342 5}
{0 CHEMBL445813,1 1.842,2 10.12,3 1.599,4 2.557,5 95.872,6 9.102,7 0.407,8 3.859,9 3.982,10 3.576,11 3.39,12 5.015,13 3.383,14 4.388,15 4.548,16 3.967,17 3.795,18 5.554,19 3.756,20 4.68,21 4.897,22 4.075,23 3.91,24 5.81,25 3.833,26 4.655,27 4.867,28 4.232,29 3.795,30 6.037,31 3.747,32 4.505,33 4.704,34 3.776,35 3.629,36 5.817,37 3.6,38 4.35,39 4.516,40 3.873,41 3.634,42 5.752,43 3.61,44 4.413,45 4.599,46 3.951,47 3.659,48 5.635,49 3.611,50 4.405,51 4.639,52 3.707,53 3.471,54 5.673,55 3.399,56 0.148,57 0.646,58 6.342,59 3.323,60 12.313,61 4.067,62 0.331,63 0.991,64 13.408,65 5.864,66 29.161,67 7.513,68 0.599,69 1.112,70 27.014,71 8.588,72 63.36,73 11.089,74 0.864,75 0.999,76 33.747,77 8.087,78 86.415,79 10.181,80 0.729,81 0.875,82 25.159,83 6.457,84 92.216,85 7.553,86 0.557,87 0.856,88 15.19,89 5.304,90 80.521,91 6.381,92 0.525,93 0.886,94 19.94,95 5.395,96 46.277,97 6.851,98 0.651,99 0.797,100 23.465,101 5.815,102 65.239,103 7.623,104 17,105 37,106 0.324,107 0.692,108 0.811,109 0.831,110 0.831,111 0.831,112 3.267,113 0.958,114 -2.99,115 -2.99,116 -2.89,118 38.1,120 2,124 2,126 1,138 3,139 1,140 3,142 1,147 1,151 2,161 1,163 2,167 1,170 2,172 5,173 8,176 1,180 2,181 1,184 3,188 6,191 2,192 3,193 4,195 3,199 1,200 4,203 1,205 2,212 1,213 1,216 2,218 5,225 4,228 1,230 4,237 7,241 2,242 5,245 2,249 1,254 1,260 922,261 16.759,262 16.759,263 16.759,264 16.759,265 16.759,266 15.097,267 24.567,268 9.973,269 17.176,270 13.306,271 13.306,272 13.306,273 13.306,274 13.306,275 10.783,276 37.709,277 4.7,278 14.045,279 3.55,280 1.459,281 0.78,282 0.667,283 0.667,284 0.667,285 3.944,286 2,287 1,288 1,289 1,290 536,291 3.317,293 74.159,294 170.857,301 1.645,302 34.169,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 55.167,314 253,315 4.466,316 3.695,317 6.686,318 4.079,319 3.119,320 4.113,321 1.058,322 10.64,323 2.991,324 4.335,325 3.587,326 6.457,327 3.945,328 2.978,329 3.961,330 1.058,331 9.962,332 2.853,333 3.629,334 3.041,335 5.445,336 3.486,337 2.521,338 2.791,339 0.4,340 7.218,341 2.428,342 3.415,343 2.664,344 5.079,345 3.074,346 2.097,347 2.602,349 5.885,350 2.012,351 3.232,352 2.623,353 4.841,354 2.815,355 1.879,356 2.481,358 5.104,359 1.785,360 3.205,361 2.52,362 4.72,363 2.707,364 1.821,365 2.298,367 4.787,368 1.441,369 2.715,370 1.779,371 3.883,372 2.351,373 1.418,374 1.79,376 3.177,377 1.319,378 2.521,379 1.388,380 3.668,381 2.233,382 1.263,383 1.487,385 2.88,386 1.214,387 2.46,388 1.357,389 3.517,390 2.012,391 1.035,392 1.458,394 2.412,395 0.987,396 2.236,397 1.077,398 3.36,399 1.984,400 1,401 1.062,403 2.136,404 0.983,405 2,406 1.038,407 3.247,408 1.716,409 0.756,410 1,411 1.911,412 0.719,413 1.179,414 0.888,415 2.761,416 0.804,417 -0.053,418 -0.06,419 -0.137,420 -0.036,421 1.03,422 0.473,423 2.558,424 0.745,425 -0.214,426 -0.241,427 -0.51,428 -0.203,429 1,430 0.275,431 2.352,432 0.557,433 -0.347,434 -0.445,435 -0.757,436 -0.229,437 1,438 0.173,439 2.154,440 0.473,441 -0.453,442 -0.622,443 -1.076,444 -0.429,445 12.095,446 0.484,447 0.613,448 0.025,449 30,450 1.2,451 13.5,452 0.54,453 16.5,454 0.66,455 21.321,456 0.853,457 27.505,458 0.655,459 22.362,460 0.894,461 5.934,462 0.237,463 6.124,464 0.245,465 0.173,467 0.331,471 0.716,472 1.267,473 0.557,474 0.844,475 0.539,476 0.817,477 0.685,478 1.336,479 0.649,480 0.96,481 0.542,482 0.974,483 0.878,484 0.966,485 0.823,486 0.885,487 0.826,488 0.905,489 0.814,490 0.893,491 0.764,492 0.957,493 0.936,494 0.863,495 1.621,496 0.849,497 1.015,498 0.778,499 1.968,500 0.814,501 1.142,502 1.165,503 0.731,504 0.77,505 1.282,506 0.852,507 1.019,508 1.256,509 1.043,510 1.123,511 0.877,512 1.099,513 0.848,514 0.941,515 0.894,516 1.074,517 0.8,518 1.046,519 4.5,520 0.087,521 2.889,522 2.25,523 1.169,524 0.802,525 0.409,526 0.401,527 0.155,528 0.166,529 6986,530 23382,531 2.038,532 40.5,534 8,535 1,537 4,540 4,542 1.681,543 1.899,544 3.288,545 1.855,546 1,547 1,550 77.381,551 1.842,552 3.933,553 4.612,554 4.726,555 4.726,556 4.726,557 2.699,558 4.084,559 4.618,560 3.468,561 1040.39,562 7.99,563 12671.9,564 1,565 1,567 1,568 226.477,569 1.44,570 4.569,571 0.167,572 0.006,573 0.078,574 0.061,575 0.032,576 0.027,577 0.013,578 0.013,579 0.007,580 0.011,581 0.415,582 0.17,583 1,584 0.609,585 120.624,586 -0.082,587 0.014,588 -0.005,589 0.053,590 -0.028,591 0.051,592 0.017,593 -0.171,594 0.012,595 -0.046,596 0.061,597 -0.062,598 0.003,599 0.02,600 0.074,601 0.075,602 0.016,603 0.079,604 0.308,605 0.044,606 0.281,607 0.013,608 0.246,609 0.107,610 -0.297,611 0.094,612 -0.123,613 0.147,614 -0.29,615 0.101,616 -0.041,617 -0.087,618 0.005,619 0.127,620 0.033,621 0.027,622 -0.063,623 -0.164,624 -0.073,625 -0.204,626 -0.091,627 -0.203,628 0.149,629 0.021,630 0.04,631 -0.154,632 0.15,633 -0.09,634 2.173,635 5.457,636 0.68,637 20.576,638 1.024,639 1.136,640 1.762,641 3.104,642 0.69,643 3.332,644 3.638,645 3.892,646 4.127,647 4.159,648 4.159,649 4.19,650 4.277,651 4.248,652 4.263,653 6.073,654 0.664,655 382.28,656 3.332,657 4.86,658 5.7,659 6.569,660 7.421,661 8.295,662 9.152,663 10.028,664 10.887,665 11.765,666 11.9,668 1,673 2,674 1,676 1,681 4,682 1,683 1,686 5,688 11,694 2,704 2,705 42,706 13,707 1,708 27,710 44,711 16,712 9,713 3,714 3,715 2,717 3,718 3,719 2,724 3,727 3,729 11,730 5,733 2,737 2,740 2,743 1,744 1,747 17,748 6,749 4,750 9,751 2,755 5,760 1,761 2,771 1,778 1,779 2,799 1,803 3,808 2,811 25,817 4,818 3,821 1,832 2,833 4.8,836 2,841 13.167,842 7.236,843 5.556,844 2.477,847 2.165,848 1.313,849 0.979,850 5.961,851 9.078,852 3.57,853 4.107,854 4.626,855 5.137,856 5.354,857 5.5,858 5.63,859 5.878,860 6.074,861 6.288,862 0.857,863 37,864 9.268,865 4.014,866 7.989,867 17.232,868 14.05,869 2.489,870 62.222,874 153.024,875 71.866,876 87.358,877 78.297,878 50.29,881 71.866,882 281.611,883 87.358,885 45.302,886 55.487,887 76.362,888 32.363,889 11.771,890 141.253,891 78.297,892 153.024,893 159.224,894 50.29,895 78.297,897 105.94,898 97.374,900 82.732,901 59.829,902 94.96,904 153.024,905 137.648,906 150.164,909 153.024,910 34.39,911 37.476,912 70.695,913 145.25,914 153.024,915 137.648,916 150.164,918 0.579,919 0.343,920 0.189,921 0.084,922 17,923 8,924 0.091,925 4,927 1,928 3.678,929 201.18,931 17,932 106.096,936 18.201,937 8.188,938 4.331,940 120.985,941 6.238,942 3.94,943 2.599,946 1.002,948 70.695,949 440.836,950 34.5,954 24.886,957 -0.846,960 42.996,961 47.705,962 0.342,963 0.729,964 0.855,965 0.876,966 0.876,967 0.876,968 4.802,969 1.263,970 5.68,971 3.177,972 4.317,973 4.792,974 1.758,975 6.482,976 4.213,977 5.987,978 1.035,979 7.236,980 2.88,981 3.892,982 4.59,984 7.394,985 3.713,986 7.283,987 1,988 8.898,989 2.412,990 5.894,991 6.91,992 1.803,993 10.508,994 5.713,995 8.617,996 0.756,997 10.623,998 2.136,999 6.312,1000 7.578,1002 12.283,1003 6.069,1004 9.987,1005 -0.053,1006 12.39,1007 1.911,1008 7.777,1009 9.365,1010 1.891,1011 14.902,1012 7.522,1013 11.382,1014 -0.214,1015 14.187,1016 -0.137,1017 8.579,1018 10.427,1020 17.016,1021 8.268,1022 12.798,1023 -0.347,1024 16.004,1025 -0.51,1026 9.833,1027 12.002,1028 1.987,1029 19.464,1030 9.498,1031 3.119,1032 -0.453,1033 17.838,1034 -0.757,1035 10.81,1036 13.244,1038 21.714,1039 10.424,1040 2.978,1041 10.64,1042 19.683,1043 -1.076,1044 11.979,1045 14.727,1046 2.086,1047 24.099,1048 11.561,1049 2.521,1050 9.962,1051 21.538,1052 4.113,1053 13.034,1054 16.051,1056 26.404,1057 12.568,1058 2.097,1059 7.218,1060 23.399,1061 3.961,1062 14.171,1063 17.492,1064 2.186,1065 28.765,1066 13.668,1067 1.879,1068 5.885,1069 25.267,1070 2.791,1071 15.262,1072 18.855,1074 31.094,1075 14.713,1076 1.821,1077 5.104,1078 27.138,1079 2.602,1080 16.387,1081 20.277,1082 2.287,1083 33.446,1084 15.798,1085 1.418,1086 4.787,1087 29.013,1088 2.481,1089 17.494,1090 21.659,1092 35.786,1093 16.861,1094 6813,1095 12663,1096 17.8,1097 28.983,1098 40.318,1099 42.324,1100 41.551,1101 40.107,1102 39.777,1103 50.085,1104 5.033,1105 112.224,1106 37.465,1107 5.466,1108 5.695,1109 6.488,1110 5.122,1111 5.119,1112 7.113,1113 2.117,1114 17.556,1115 4.991,1116 12.29,1117 1.493,1118 1.568,1119 1.539,1120 1.485,1121 1.473,1122 1.855,1123 0.186,1124 4.156,1125 1.388,1126 3.994,1127 4.039,1128 4.115,1129 3.894,1130 7.432,1131 3.894,1132 3.886,1133 3.915,1134 3.905,1135 3.745,1136 7.426,1137 3.766,1138 3.811,1139 3.878,1140 3.692,1141 3.639,1142 5.006,1143 3.645,1144 3.321,1145 3.378,1146 3.582,1147 3.06,1148 4.965,1149 3.1,1150 3.255,1151 3.309,1152 3.268,1153 2.963,1154 4.632,1155 3.005,1156 3.111,1157 3.206,1158 3.18,1159 2.941,1160 4.404,1161 2.91,1162 2.909,1163 2.981,1164 3.058,1165 2.849,1166 4.115,1167 2.815,1168 2.901,1169 2.918,1170 2.866,1171 2.633,1172 3.913,1173 2.652,1174 0.165,1175 0.137,1176 0.248,1177 0.151,1178 0.116,1179 4.466,1180 0.152,1181 3.695,1182 0.039,1183 6.686,1184 0.394,1185 4.079,1186 0.111,1187 3.119,1188 4.113,1189 1.058,1190 10.64,1191 2.991,1192 1.892,1193 1.881,1194 2.033,1195 2.021,1196 1.377,1197 2.029,1198 1.821,1199 1.758,1200 1.938,1201 1.964,1202 1.072,1203 1.968,1204 1.56,1205 1.529,1206 1.652,1207 1.741,1208 0.825,1209 1.718,1210 1.337,1211 1.258,1212 1.513,1213 1.7,1214 0.744,1215 1.643,1216 1.153,1217 1.083,1218 1.482,1219 1.451,1220 0.567,1221 1.429,1222 1.127,1223 1.064,1224 1.327,1225 1.376,1226 0.288,1227 1.414,1228 0.999,1229 0.91,1230 1.193,1231 1.254,1232 0.234,1233 1.242,1234 0.849,1235 0.827,1236 1,1237 0.975,1238 0.105,1239 1.004,1240 4.007,1242 5.313,1243 2.398,1244 6.81,1245 4.595,1246 8.395,1247 6.581,1248 10.025,1251 12.084,1256 3.431,1257 8.798,1260 0.09,1267 27.879,1268 77.381,1269 165.193,1270 193.722,1271 198.477,1272 198.477,1273 198.477,1274 57.213,1275 6.914,1276 98.91,1277 98.91,1278 17,1279 12.307,1280 3.807,1281 3.087,1282 41.721,1283 90,1284 90,1285 0.224,1286 180.206,1287 311,1288 431.462,1289 9248,1290 4.8,1291 17.811,1292 0.712,1293 0.59,1294 18.811,1295 14.747,1296 12.059,1297 0.447,1298 0.319,1299 7.809,1300 11.001,1301 7.647,1302 6.287,1303 12.636,1304 8.623,1305 10.748,1306 0.29,1307 0.176,1308 11.489,1309 6.51,1310 8.843,1311 0.184,1312 0.096,1313 9.517,1314 4.598,1315 7.695,1316 0.126,1317 0.053,1318 8.604,1319 3.247,1320 4.968,1321 0.079,1322 0.029,1323 5.26,1324 1.808,1325 0.35,1326 82.127,1327 0.237,1328 24.271,1329 0.62,1330 128,1331 424.854,1332 172.071,1333 467.59,1334 605.63,1335 432,1336 149,1337 389.52,1338 185.788,1339 410.061,1340 600.25,1341 386,1342 5}
{0 CHEMBL450786,1 1.709,2 15.419,3 5.69,4 32.372,5 171.59,6 8.333,7 0.354,8 4.444,9 4.548,10 4.198,11 4.062,12 5.463,13 4.009,14 5.04,15 5.2,16 4.583,17 4.506,18 6.166,19 4.438,20 5.321,21 5.513,22 4.683,23 4.666,24 6.394,25 4.564,26 5.408,27 5.607,28 4.83,29 4.684,30 6.545,31 4.57,32 5.401,33 5.596,34 4.765,35 4.644,36 6.664,37 4.572,38 5.397,39 5.589,40 4.677,41 4.71,42 6.491,43 4.618,44 5.514,45 5.744,46 4.543,47 4.69,48 6.624,49 4.552,50 5.394,51 5.657,52 4.505,53 4.555,54 6.445,55 4.424,56 0.103,57 1.119,58 16.315,59 7.664,60 19.103,61 9.196,62 0.432,63 1.915,64 33.013,65 13.56,66 60.785,67 16.999,68 0.543,69 2.361,70 50.142,71 18.564,72 72.916,73 22.885,74 0.8,75 2.44,76 71.194,77 21.227,78 111.978,79 25.272,80 1.257,81 2.442,82 60.205,83 19.039,84 174.294,85 22.646,86 0.613,87 2.549,88 50.627,89 19.7,90 91.259,91 24.792,92 1.002,93 2.683,94 63.53,95 22.144,96 174.246,97 28.851,98 1.048,99 2.376,100 61.829,101 20.224,102 139.649,103 26.655,104 65,105 72,106 0.26,107 0.587,108 0.76,109 0.844,110 0.855,111 0.855,112 3.788,113 1.062,114 -5.08,115 -4.97,116 -4.66,118 41.6,119 2,120 4,124 5,126 1,132 1,133 1,138 6,139 4,140 4,148 2,151 2,163 10,166 2,167 7,170 1,172 7,173 14,176 1,177 11,182 5,184 11,188 13,191 2,193 1,195 14,199 1,200 17,203 1,204 1,205 2,208 11,213 9,216 2,218 5,221 19,224 2,225 7,228 1,230 3,233 19,236 2,237 6,240 4,245 13,249 7,254 7,257 13,260 3944,261 28.471,262 28.471,263 28.471,264 28.471,265 28.471,266 25.597,267 34.756,268 16.142,269 29.237,270 23.629,271 23.629,272 23.629,273 23.629,274 23.629,275 19.074,276 41.308,277 7.618,278 24.995,279 4.558,280 2.406,281 1.27,282 0.715,283 0.643,284 0.643,285 4.49,286 2,289 1,290 1458,291 4.416,293 471.68,294 277.559,297 190.395,301 2.428,302 63.153,305 0.75,306 0.67,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.75,313 92.667,314 663,315 4.876,316 5.264,317 7.324,318 4.322,319 3.428,320 4.726,321 3.272,322 12.597,323 3.246,324 4.628,325 3.784,326 6.944,327 4.262,328 3.289,329 4.334,330 1.2,331 11.598,332 3.15,333 4.473,334 3.655,335 6.722,336 4.114,337 3.143,338 4.056,339 1.058,340 10.934,341 2.888,342 4.283,343 3.404,344 6.371,345 3.849,346 2.902,347 3.942,348 0.8,349 9.6,350 2.753,351 4.024,352 3.118,353 6.347,354 3.802,355 2.881,356 3.237,357 0.293,358 9.523,359 2.591,360 3.682,361 2.898,362 5.655,363 3.436,364 2.498,365 3.014,367 7.442,368 2.347,369 3.545,370 2.862,371 5.449,372 3.226,373 2.237,374 2.648,376 6.92,377 2.197,378 3.348,379 2.623,380 5.326,381 3.058,382 2.054,383 2.481,385 6.371,386 2.049,387 3.232,388 2.592,389 4.891,390 2.773,391 1.879,392 2.465,394 5.282,395 1.752,396 3.106,397 2.569,398 4.874,399 2.707,400 1.79,401 2.283,403 5.104,404 1.66,405 3.08,406 2.202,407 4.841,408 2.687,409 1.716,410 2.199,411 5.043,412 1.525,413 3.007,414 1.951,415 4.711,416 2.546,417 1.556,418 2.125,419 4.558,420 1.441,421 2.869,422 1.559,423 4.53,424 2.381,425 1.408,426 2.023,427 4.077,428 1.377,429 2.696,430 1.497,431 3.977,432 2.377,433 1.381,434 1.708,435 3.347,436 1.363,437 2.382,438 1.484,439 3.823,440 2.255,441 1.264,442 1.329,443 2.872,444 1.249,445 21.195,446 0.493,447 1.4,448 0.033,449 52,450 1.209,451 24,452 0.558,453 28,454 0.651,455 49.793,456 1.158,457 46.605,458 0.605,459 46.707,460 1.086,461 9.535,462 0.222,463 10.995,464 0.256,465 0.177,466 0.039,467 0.368,471 0.56,472 1.296,473 0.667,474 1.043,475 0.552,476 0.91,477 0.642,478 1.122,479 0.724,480 0.908,481 0.494,482 0.873,483 0.982,484 1.043,485 0.913,486 0.977,487 0.862,488 0.984,489 1.085,490 1.082,491 0.911,492 1.016,493 1.133,494 0.994,495 1.237,496 0.86,497 0.859,498 0.853,499 1.374,500 0.831,501 0.871,502 1.14,503 0.765,504 1.027,505 0.903,506 1.033,507 0.935,508 1.033,509 0.855,510 0.963,511 0.942,512 1.076,513 0.754,514 0.708,515 0.664,516 0.654,517 0.788,518 0.705,519 10,520 0.311,521 6.444,522 4.778,523 2.982,524 2.146,525 1.342,526 0.884,527 0.79,528 0.592,529 33014,530 90226,531 2.078,532 44.2,533 3,534 18,537 2,538 3,539 8,542 1.818,543 1.904,544 3.861,545 0.137,550 131.569,551 1.709,552 3.861,553 4.997,554 5.552,555 5.624,556 5.624,557 3.327,558 5.101,559 5.397,560 4.079,561 3683.76,562 9.554,563 66496.7,568 482.543,569 1.634,570 5.334,571 0.208,572 0.006,573 0.09,574 0.065,575 0.041,576 0.028,577 0.017,578 0.014,579 0.013,580 0.01,581 0.492,582 0.17,583 0.75,584 0.578,585 247.671,586 0.024,587 -0.094,588 0.094,589 -0.011,590 -0.063,591 0.036,592 0.1,593 0.012,594 0.057,595 0.059,596 0.153,597 0.072,598 -0.09,599 0.01,600 -0.016,601 0.001,602 -0.008,603 -0.019,604 -0.014,605 -0.083,606 0.119,607 -0.006,608 -0.03,609 -0.015,610 0.031,611 0.16,612 0.063,613 0.106,614 0.028,615 0.106,616 -0.013,617 -0.101,618 -0.022,619 -0.091,620 0.006,621 -0.074,623 -0.076,624 -0.043,625 -0.061,626 0.038,627 -0.099,628 0.138,629 0.245,630 0.201,631 0.284,632 0.092,633 0.297,634 4.753,635 6.841,636 0.698,637 55.549,638 1.008,639 1.121,640 3.847,641 14.797,642 0.693,643 3.892,644 4.29,645 4.605,646 4.898,647 5.063,648 5.193,649 5.361,650 5.537,651 5.649,652 5.762,653 8.971,654 0.652,655 641.67,656 3.892,657 5.485,658 6.368,659 7.283,660 8.182,661 9.098,662 10.003,663 10.92,664 11.83,665 12.748,666 5.2,669 1,673 2,674 1,681 6,683 1,686 10,688 17,695 1,704 2,705 77,706 22,707 2,708 48,710 82,711 32,712 16,713 6,714 6,715 4,717 6,718 7,719 2,721 2,724 5,727 5,729 20,730 12,733 5,736 1,737 4,738 1,740 3,747 34,748 7,749 2,750 11,751 3,755 4,760 0.833,761 4,775 1,776 2,778 4,779 2,782 1,790 1,795 1,796 1,800 1,803 5,805 1,807 2,808 2,811 43,814 1,817 9,818 1,821 1,822 2,832 2,833 5.2,836 4,841 22.583,842 14.436,843 9.097,844 4.873,847 3.851,848 1.419,849 1.015,850 8.528,851 13.046,852 4.135,853 4.773,854 5.325,855 5.879,856 6.343,857 6.678,858 7.08,859 7.5,860 7.849,861 8.212,862 1,863 73,864 16.413,865 7.661,866 7.84,867 30.87,868 26.987,869 2.34,870 100.639,874 376.675,875 151.65,876 41.045,877 78.297,878 94.603,880 6.046,881 145.604,882 549.575,883 41.045,884 17.65,885 40.596,886 72.38,887 104.012,888 47.146,889 5.513,890 376.675,891 78.297,892 376.675,893 186.649,894 94.603,895 84.343,897 282.506,898 188.772,900 78.156,901 99.017,902 93.819,904 376.675,905 135.648,906 229.947,908 6.046,909 376.675,910 61.62,911 90.233,912 34.796,913 172.9,914 376.675,915 135.648,916 229.947,918 0.603,919 0.364,920 0.196,921 0.097,922 37,923 18,924 0.085,925 7,926 1,927 1.067,928 5.025,929 466.603,930 0.067,931 30,932 221.329,935 1,936 30.417,937 12.056,938 5.927,940 118.862,941 9.418,943 3.312,946 4.698,948 34.796,949 742.27,950 61.5,953 -3.836,954 53.709,955 1.702,957 -0.011,960 77.578,961 86.282,962 0.273,963 0.616,964 0.797,965 0.886,966 0.897,967 0.897,968 5.435,969 2.054,970 6.409,971 6.92,972 4.977,973 5.462,974 3.35,975 7.307,976 4.87,977 6.68,978 1.879,979 8.032,980 6.371,981 4.796,982 5.568,983 0.57,984 8.473,985 4.581,986 8.039,987 1.79,988 9.761,989 5.282,990 6.691,991 7.74,992 5.467,993 11.572,994 6.469,995 9.438,996 1.716,997 11.552,998 5.104,999 7.321,1000 8.664,1001 0.801,1002 13.549,1003 6.995,1004 10.871,1005 1.556,1006 13.383,1007 5.043,1008 8.734,1009 10.387,1010 7.81,1011 16.215,1012 8.39,1013 12.33,1014 1.408,1015 15.242,1016 4.558,1017 9.696,1018 11.647,1019 1.074,1020 18.501,1021 9.265,1022 13.807,1023 1.381,1024 17.12,1025 4.077,1026 10.952,1027 13.227,1028 10.178,1029 21.037,1030 10.487,1031 3.428,1032 1.264,1033 19.014,1034 3.347,1035 12.049,1036 14.628,1037 1.404,1038 23.443,1039 11.514,1040 3.289,1041 12.597,1042 20.921,1043 2.872,1044 13.255,1045 16.16,1046 12.548,1047 25.943,1048 12.678,1049 3.143,1050 11.598,1051 22.837,1052 4.726,1053 14.406,1054 17.623,1055 1.768,1056 28.401,1057 13.77,1058 2.902,1059 10.934,1060 24.761,1061 4.334,1062 15.6,1063 19.142,1064 14.919,1065 30.894,1066 14.917,1067 2.881,1068 9.6,1069 26.691,1070 4.056,1071 16.776,1072 20.635,1073 2.15,1074 33.376,1075 16.04,1076 2.498,1077 9.523,1078 28.627,1079 3.942,1080 17.969,1081 22.153,1082 17.29,1083 35.872,1084 17.185,1085 2.237,1086 7.442,1087 30.568,1088 3.237,1089 19.158,1090 23.662,1091 2.538,1092 38.367,1093 18.323,1094 30629,1095 51227,1096 31.441,1097 53.387,1098 74.329,1099 78.513,1100 76.857,1101 74.255,1102 73.906,1103 93.194,1104 13.247,1105 227.757,1106 69.848,1107 5.876,1108 7.264,1109 6.94,1110 5.444,1111 5.428,1112 7.726,1113 6.545,1114 20.199,1115 5.246,1116 25.287,1117 1.549,1118 1.636,1119 1.601,1120 1.547,1121 1.54,1122 1.942,1123 0.276,1124 4.745,1125 1.455,1126 4.157,1127 4.16,1128 4.747,1129 4.15,1130 7.714,1131 4.081,1132 4.033,1133 4.047,1134 4.07,1135 3.944,1136 7.431,1137 3.936,1138 3.925,1139 3.971,1140 4.038,1141 3.853,1142 7.426,1143 3.849,1144 3.877,1145 3.913,1146 3.864,1147 3.742,1148 6.999,1149 3.741,1150 3.758,1151 3.818,1152 3.778,1153 3.671,1154 5.005,1155 3.62,1156 3.72,1157 3.704,1158 3.613,1159 3.59,1160 4.824,1161 3.579,1162 3.343,1163 3.364,1164 3.582,1165 3.242,1166 4.68,1167 3.23,1168 3.199,1169 3.291,1170 3.309,1171 3.019,1172 4.632,1173 2.996,1174 0.102,1175 0.11,1176 0.153,1177 0.09,1178 0.071,1179 4.876,1180 0.098,1181 5.264,1182 0.068,1183 7.324,1184 0.262,1185 4.322,1186 0.068,1187 3.428,1188 4.726,1189 3.272,1190 12.597,1191 3.246,1192 2.008,1193 2.025,1194 1.989,1195 2.044,1196 1.32,1197 2.09,1198 1.868,1199 1.853,1200 1.937,1201 1.926,1202 1.29,1203 1.94,1204 1.745,1205 1.72,1206 1.91,1207 1.918,1208 1.211,1209 1.912,1210 1.681,1211 1.642,1212 1.86,1213 1.84,1214 1.125,1215 1.834,1216 1.642,1217 1.588,1218 1.854,1219 1.82,1220 1.102,1221 1.832,1222 1.577,1223 1.507,1224 1.795,1225 1.751,1226 1.002,1227 1.793,1228 1.503,1229 1.495,1230 1.762,1231 1.704,1232 0.908,1233 1.732,1234 1.485,1235 1.428,1236 1.581,1237 1.619,1238 0.87,1239 1.651,1240 4.575,1242 5.953,1243 3.714,1244 7.506,1245 6.075,1246 9.14,1247 8.148,1248 10.819,1250 3.762,1251 12.486,1256 7.905,1257 2.825,1260 0.203,1261 4.467,1267 50.216,1268 131.569,1269 297.285,1270 384.768,1271 427.523,1272 433.033,1273 433.033,1274 112.729,1275 9.195,1276 106.34,1277 114.72,1278 32,1279 13.259,1280 4.524,1281 3.858,1282 63.889,1283 232,1284 227,1285 0.132,1286 312.122,1287 554.35,1288 753.339,1289 164385,1290 2.6,1291 30.466,1292 0.709,1293 0.616,1294 31.716,1295 26.503,1296 20.53,1297 0.428,1298 0.354,1299 14.647,1300 18.601,1301 14.048,1302 11.535,1303 21.928,1304 16.997,1305 19.798,1306 0.275,1307 0.201,1308 21.84,1309 14.449,1310 17.02,1311 0.172,1312 0.113,1313 18.801,1314 11.163,1315 14.553,1316 0.109,1317 0.065,1318 16.363,1319 8.651,1320 10.719,1321 0.068,1322 0.036,1323 12.558,1324 5.727,1325 0.21,1326 141.861,1327 0.178,1328 38.019,1329 0.356,1330 240,1331 676.165,1332 324.704,1333 735.054,1334 978.49,1335 678,1336 291,1337 646.854,1338 376.432,1339 709.299,1340 1047.31,1341 666,1342 5.854}
{0 CHEMBL464552,1 1.705,2 13.282,3 3.582,4 12.832,5 146.018,6 7.833,7 0.512,8 4.338,9 4.466,10 3.94,11 3.803,12 5.502,13 3.818,14 4.868,15 5.055,16 4.32,17 4.196,18 6.012,19 4.197,20 5.056,21 5.235,22 4.419,23 4.335,24 6.24,25 4.322,26 5.189,27 5.394,28 4.486,29 4.357,30 6.484,31 4.341,32 5.204,33 5.413,34 4.396,35 4.351,36 6.39,37 4.335,38 5.181,39 5.389,40 4.423,41 4.424,42 6.317,43 4.38,44 5.271,45 5.504,46 4.445,47 4.439,48 6.349,49 4.386,50 5.233,51 5.467,52 4.417,53 4.344,54 6.455,55 4.302,56 0.14,57 1.145,58 13.017,59 5.346,60 11.905,61 7.044,62 0.598,63 1.77,64 26.231,65 8.877,66 38.466,67 12.021,68 0.595,69 2.097,70 31.387,71 11.003,72 54.569,73 14.684,74 1.037,75 2.227,76 38.99,77 12.605,78 120.109,79 17.169,80 1.107,81 2.207,82 40.42,83 10.99,84 114.841,85 14.934,86 0.833,87 2.287,88 37.677,89 12.764,90 82.724,91 17.538,92 0.818,93 2.357,94 42.849,95 13.696,96 73.703,97 20.019,98 1.225,99 2.253,100 42.727,101 12.703,102 110.6,103 18.261,104 64,105 62,106 0.266,107 0.643,108 0.815,109 0.874,110 0.874,111 0.874,112 3.693,113 0.861,114 -3.75,115 -3.71,116 -3.53,118 39.7,120 1,123 4,124 2,138 6,139 3,140 5,143 1,146 1,147 1,151 2,154 1,163 5,166 2,167 7,170 5,172 7,173 5,176 2,177 5,180 1,182 3,184 3,188 10,191 4,192 4,193 5,195 2,199 3,200 8,205 3,208 3,212 3,213 7,216 2,218 7,221 3,224 1,225 5,228 3,230 5,233 3,236 4,237 3,240 5,241 2,242 4,245 4,248 2,249 3,254 2,257 5,260 3005,261 26.273,262 26.273,263 26.273,264 26.273,265 26.273,266 23.417,267 39.545,268 15.139,269 27.026,270 21.102,271 21.102,272 21.102,273 21.102,274 21.102,275 16.47,276 63.795,277 6.997,278 22.185,279 4.383,280 1.967,281 0.865,282 0.486,283 0.486,284 0.486,285 4.393,290 1114,291 4.472,293 181.801,294 318.607,297 315.729,301 1.893,302 49.981,305 0.5,306 0.67,307 0.67,308 0.6,309 0.5,310 0.67,311 1,312 0.66,313 86.5,314 518,315 4.574,316 3.793,317 6.729,318 4.167,319 3.204,320 4.503,321 1.989,322 10.944,323 3.084,324 4.488,325 3.644,326 6.721,327 4.125,328 3.156,329 4.128,330 1.058,331 10.873,332 3.064,333 4.436,334 3.253,335 6.535,336 4.004,337 3.037,338 4.109,339 0.86,340 10.317,341 2.926,342 4.026,343 3.148,344 6.141,345 3.714,346 2.762,347 3.354,348 0.835,349 9.034,350 2.624,351 3.674,352 2.934,353 5.595,354 3.351,355 2.387,356 3.043,357 0.543,358 7.253,359 2.301,360 3.561,361 2.855,362 5.335,363 3.148,364 2.208,365 2.881,366 0.4,367 6.66,368 2.09,369 3.507,370 2.48,371 5.271,372 3.113,373 2.189,374 2.793,375 0.4,376 6.606,377 2.013,378 3.403,379 2.458,380 4.952,381 2.974,382 2.007,383 2.65,385 5.386,386 1.908,387 3.194,388 2.403,389 4.87,390 2.881,391 1.941,392 2.456,394 5.308,395 1.813,396 3.106,397 1.997,398 4.807,399 2.727,400 1.789,401 2.26,403 5.177,404 1.665,405 2.952,406 1.963,407 4.534,408 2.603,409 1.64,410 1.988,411 4.559,412 1.571,413 2.69,414 1.76,415 3.976,416 2.219,417 1.232,418 1.741,419 2.912,420 1.211,421 2.606,422 1.347,423 3.78,424 2.111,425 1.153,426 1.655,427 2.741,428 1.102,429 2.314,430 1.312,431 3.733,432 2.069,433 1.087,434 1.231,435 2.719,436 1.059,437 2.234,438 1.129,439 3.699,440 1.936,441 1,442 1.163,443 2.461,444 0.928,445 17.986,446 0.461,447 1.062,448 0.027,449 52.25,450 1.34,451 25,452 0.641,453 27.25,454 0.699,455 34.987,456 0.897,457 42.614,458 0.627,459 48.504,460 1.244,461 10.734,462 0.275,463 8.048,464 0.206,465 0.164,467 0.406,470 1,471 0.782,472 1.409,473 0.738,474 1.157,475 0.565,476 0.965,477 0.832,478 0.905,479 0.753,480 0.786,481 0.573,482 0.747,483 1.008,484 1.277,485 0.942,486 1.147,487 1.003,488 1.048,489 0.924,490 1.029,491 0.859,492 1.043,493 1.023,494 0.965,495 1.472,496 1.015,497 1.18,498 0.848,499 1.47,500 0.917,501 0.901,502 1.037,503 0.984,504 1.032,505 0.808,506 1.026,507 0.706,508 1.101,509 0.856,510 1.055,511 0.599,512 0.993,513 0.824,514 0.855,515 0.9,516 0.921,517 0.764,518 0.929,519 8.5,520 0.282,521 4.667,522 3.507,523 2.467,524 1.466,525 1.234,526 0.871,527 0.622,528 0.478,529 22951,530 66143,531 2.064,532 42.6,534 22,535 1,537 4,539 2,542 1.798,543 1.902,544 3.673,545 1.504,550 115.929,551 1.705,552 4.121,553 5.223,554 5.602,555 5.602,556 5.602,557 3.097,558 5.01,559 5.259,560 3.86,561 2860.34,562 9.297,563 47506.8,568 413.947,569 1.497,570 5.202,571 0.198,572 0.006,573 0.075,574 0.053,575 0.036,576 0.023,577 0.019,578 0.013,579 0.01,580 0.01,581 0.443,582 0.17,583 0.63,584 1.22,585 216.448,586 -0.087,587 -0.258,588 0.044,589 -0.098,590 -0.053,591 -0.011,592 0.023,593 0.152,594 0.139,595 0.198,596 0.048,597 0.196,598 -0.066,599 -0.194,600 -0.04,601 -0.132,602 -0.066,603 -0.09,604 0.153,605 -0.007,606 0.111,607 -0.058,608 0.133,609 -0.007,610 -0.267,611 0.022,612 -0.19,613 0.081,614 -0.22,615 -0.011,616 -0.015,617 0.023,618 -0.057,619 -0.026,620 -0.012,621 -0.048,622 0.07,623 -0.163,624 0.095,625 -0.071,626 0.048,627 0.005,628 0.199,629 0.131,630 0.098,631 0.031,632 0.135,633 0.032,634 2.326,635 6.565,636 0.615,637 42.312,638 1.015,639 1.14,640 2.52,641 6.348,642 0.658,643 3.784,644 4.143,645 4.454,646 4.771,647 4.97,648 5.142,649 5.323,650 5.517,651 5.591,652 5.759,653 7.897,654 0.64,655 532.64,656 3.784,657 5.352,658 6.225,659 7.128,660 8.019,661 8.928,662 9.825,663 10.736,664 11.637,665 12.55,666 11.8,669 1,673 2,674 3,676 2,680 2,681 7,682 2,683 1,686 9,688 22,694 1,699 2,703 1,704 1,705 68,706 24,707 2,708 43,710 72,711 27,712 18,713 7,714 5,715 1,717 5,718 7,724 1,727 1,729 20,730 7,733 2,737 2,740 2,745 1,747 29,748 11,749 4,750 12,755 8,760 0.6,761 3,774 1,775 1,778 2,779 3,782 2,791 1,800 1,803 3,807 4,809 1,811 39,817 3,818 3,819 1,822 2,832 1,833 4.4,836 2,838 1,841 20.5,842 13.526,843 8.583,844 3.79,847 4.479,848 1.507,849 1.003,850 7.705,851 13.321,852 4.043,853 4.675,854 5.286,855 5.905,856 6.405,857 6.778,858 7.204,859 7.675,860 7.977,861 8.447,862 0.889,863 66,864 14.491,865 6.28,866 7.902,867 27.04,868 21.99,869 2.402,870 93.667,874 294.278,875 155.653,876 110.637,878 61.29,879 14.96,881 155.653,882 355.567,883 125.598,884 36.072,885 27.881,886 65.905,887 94.986,888 98.51,889 30.958,890 282.506,892 294.278,893 266.291,894 76.25,897 285.695,898 84.832,900 87.427,901 145.293,902 33.571,904 309.238,905 171.927,906 155.653,909 294.278,910 53.676,911 108.226,912 70.818,913 109.821,914 294.278,915 186.887,916 155.653,918 0.585,919 0.351,920 0.199,921 0.102,922 30,923 15,924 0.111,925 8,926 2,927 1.167,928 4.658,929 403.715,930 0.167,931 24,932 204.131,936 26.875,937 11.182,938 5.409,939 1.171,940 170.102,941 11.604,942 9.204,943 3.069,946 3.038,948 70.818,949 636.818,950 56,954 25.216,957 -0.558,960 69.029,961 77.522,962 0.28,963 0.677,964 0.858,965 0.92,966 0.92,967 0.92,968 5.306,969 2.007,970 6.232,971 6.606,972 4.828,973 5.364,974 2.606,975 7.091,976 4.736,977 6.531,978 1.941,979 7.822,980 5.386,981 4.511,982 5.293,983 1.738,984 8.074,985 4.382,986 7.859,987 1.789,988 9.509,989 5.308,990 6.469,991 7.606,992 3.265,993 11.197,994 6.299,995 9.222,996 1.64,997 11.254,998 5.177,999 6.957,1000 8.35,1001 3.224,1002 12.997,1003 6.756,1004 10.617,1005 1.232,1006 13.034,1007 4.559,1008 8.401,1009 10.163,1010 4.35,1011 15.638,1012 8.162,1013 12.034,1014 1.153,1015 14.841,1016 2.912,1017 9.251,1018 11.283,1019 4.689,1020 17.773,1021 8.982,1022 13.468,1023 1.087,1024 16.666,1025 2.741,1026 10.502,1027 12.9,1028 5.607,1029 20.245,1030 10.199,1031 3.204,1032 1,1033 18.505,1034 2.719,1035 11.516,1036 14.202,1037 6.118,1038 22.52,1039 11.181,1040 3.156,1041 10.944,1042 20.355,1043 2.461,1044 12.695,1045 15.735,1046 6.929,1047 24.929,1048 12.327,1049 3.037,1050 10.873,1051 22.213,1052 4.503,1053 13.78,1054 17.125,1055 7.524,1056 27.262,1057 13.38,1058 2.762,1059 10.317,1060 24.078,1061 4.128,1062 14.934,1063 18.624,1064 8.278,1065 29.65,1066 14.5,1067 2.387,1068 9.034,1069 25.949,1070 4.109,1071 16.051,1072 20.058,1073 8.915,1074 32.007,1075 15.585,1076 2.208,1077 7.253,1078 27.825,1079 3.354,1080 17.197,1081 21.543,1082 9.639,1083 34.388,1084 16.697,1085 2.189,1086 6.66,1087 29.704,1088 3.043,1089 18.33,1090 22.999,1091 10.3,1092 36.757,1093 17.796,1094 21947,1095 37481,1096 28.263,1097 44.722,1098 65.002,1099 67.743,1100 68.376,1101 64.527,1102 64.522,1103 83.503,1104 12.168,1105 192.409,1106 61.417,1107 5.497,1108 5.793,1109 6.271,1110 5.247,1111 5.204,1112 7.503,1113 3.465,1114 18.074,1115 5.084,1116 23.092,1117 1.512,1118 1.575,1119 1.59,1120 1.501,1121 1.501,1122 1.942,1123 0.283,1124 4.475,1125 1.428,1126 4.121,1127 4.166,1128 4.091,1129 3.984,1130 8.201,1131 4.004,1132 4.007,1133 4.04,1134 3.963,1135 3.904,1136 7.43,1137 3.915,1138 3.925,1139 3.952,1140 3.892,1141 3.83,1142 7.426,1143 3.84,1144 3.68,1145 3.746,1146 3.589,1147 3.456,1148 5.128,1149 3.48,1150 3.501,1151 3.572,1152 3.391,1153 3.293,1154 4.847,1155 3.304,1156 3.464,1157 3.542,1158 3.353,1159 3.201,1160 4.637,1161 3.227,1162 3.347,1163 3.416,1164 3.264,1165 3.1,1166 4.488,1167 3.134,1168 3.187,1169 3.262,1170 3.067,1171 2.954,1172 4.417,1173 2.965,1174 0.106,1175 0.088,1176 0.156,1177 0.097,1178 0.075,1179 4.574,1180 0.105,1181 3.793,1182 0.046,1183 6.729,1184 0.255,1185 4.167,1186 0.072,1187 3.204,1188 4.503,1189 1.989,1190 10.944,1191 3.084,1192 1.927,1193 1.901,1194 1.995,1195 2.069,1196 1.186,1197 2.042,1198 1.889,1199 1.87,1200 1.967,1201 1.999,1202 1.098,1203 1.987,1204 1.764,1205 1.732,1206 1.863,1207 1.919,1208 1.053,1209 1.896,1210 1.637,1211 1.571,1212 1.812,1213 1.881,1214 0.943,1215 1.875,1216 1.468,1217 1.399,1218 1.717,1219 1.7,1220 0.912,1221 1.704,1222 1.449,1223 1.368,1224 1.68,1225 1.69,1226 0.68,1227 1.691,1228 1.385,1229 1.307,1230 1.636,1231 1.675,1232 0.605,1233 1.677,1234 1.225,1235 1.164,1236 1.57,1237 1.525,1238 0.586,1239 1.539,1240 4.466,1242 5.814,1243 3.045,1244 7.351,1245 5.352,1246 8.981,1247 7.424,1248 10.664,1250 6.728,1252 14.565,1256 1.619,1257 8.771,1258 5.63,1261 3.608,1267 43.494,1268 115.929,1269 280.218,1270 355.153,1271 380.928,1272 380.928,1273 380.928,1274 86.299,1275 8.841,1276 127.51,1277 127.51,1278 28,1279 13.065,1280 4.644,1281 3.807,1282 61.241,1283 185,1284 188,1285 0.16,1286 265.209,1287 459.02,1288 638.87,1289 99485,1290 1.5,1291 27.681,1292 0.71,1293 0.565,1294 26.811,1295 22.054,1296 18.782,1297 0.437,1298 0.287,1299 12.077,1300 17.78,1301 11.718,1302 9.768,1303 18.372,1304 12.345,1305 17.227,1306 0.278,1307 0.151,1308 16.689,1309 9.342,1310 14.546,1311 0.171,1312 0.076,1313 14.152,1314 6.432,1315 12.892,1316 0.11,1317 0.039,1318 12.348,1319 4.621,1320 9.732,1321 0.068,1322 0.021,1323 9.538,1324 2.958,1325 0.25,1326 119.794,1327 0.188,1328 34.742,1329 0.441,1330 210,1331 705.23,1332 236.902,1333 650.689,1334 883.83,1335 608,1336 252,1337 650.602,1338 279.76,1339 653.549,1340 962.02,1341 611,1342 5}
{0 CHEMBL475251,1 1.811,2 13.294,3 3.881,4 15.065,5 120.223,6 8.255,7 0.486,8 4.181,9 4.287,10 3.819,11 3.59,12 5.41,13 3.639,14 4.696,15 4.852,16 4.212,17 3.93,18 5.928,19 3.987,20 4.871,21 5.003,22 4.354,23 4.072,24 6.256,25 4.124,26 4.965,27 5.15,28 4.237,29 4.11,30 6.19,31 4.106,32 4.971,33 5.17,34 4.157,35 4.096,36 6.144,37 4.074,38 4.931,39 5.145,40 4.061,41 4.021,42 6.123,43 3.982,44 4.857,45 5.115,46 4.009,47 3.875,48 5.993,49 3.849,50 4.682,51 4.9,52 3.99,53 3.738,54 5.985,55 3.776,56 0.241,57 0.916,58 9.999,59 4.578,60 11.947,61 5.41,62 0.752,63 1.357,64 21.622,65 7.518,66 50.92,67 8.972,68 1.2,69 1.653,70 24.404,71 7.729,72 79.055,73 9.366,74 1.098,75 1.661,76 29.552,77 9.584,78 85.717,79 12.264,80 1.125,81 1.673,82 30.993,83 9.389,84 71.271,85 12.534,86 1.08,87 1.631,88 30.075,89 9.243,90 75.683,91 12.335,92 0.918,93 1.487,94 31.121,95 8.513,96 74.725,97 12.79,98 0.995,99 1.342,100 24.284,101 6.132,102 80.035,103 8.003,104 59,105 54,106 0.295,107 0.608,108 0.739,109 0.778,110 0.791,111 0.815,112 3.56,113 0.82,114 -3.27,115 -3.26,116 -3.12,118 38.6,119 2,123 3,128 1,138 4,140 6,141 1,143 3,146 1,151 1,163 1,166 1,167 6,170 6,172 3,173 2,176 4,177 6,180 1,182 4,187 3,188 7,191 3,192 2,193 1,195 2,200 4,203 2,208 2,212 5,213 2,216 3,218 3,224 3,225 1,230 3,236 1,237 2,240 3,241 1,245 2,248 1,249 2,252 2,257 2,260 2092,261 22.632,262 22.632,263 22.632,264 22.632,265 22.632,266 20.291,267 39.73,268 12.811,269 23.637,270 18.052,271 18.052,272 18.052,273 18.052,274 18.052,275 14.241,276 67.244,277 5.824,278 19.48,279 4.022,280 2.105,281 1.304,282 1.067,283 0.983,284 0.838,285 4.251,288 1,289 1,290 963,291 3.674,294 424.732,298 161.402,301 2.118,302 47.252,305 0.75,306 0.67,307 0.83,308 0.9,310 0.83,311 1,312 0.71,313 77.5,314 452,315 4.54,316 4.104,317 7.282,318 4.367,319 3.413,320 4.111,321 2.03,322 12.355,323 3.249,324 4.426,325 3.375,326 6.524,327 4.012,328 3.069,329 3.999,330 0.892,331 10.264,332 2.887,333 4.272,334 3.208,335 6.161,336 3.848,337 2.921,338 3.877,339 0.86,340 9.146,341 2.705,342 4.099,343 3.007,344 6.078,345 3.689,346 2.747,347 3.463,348 0.86,349 8.822,350 2.574,351 3.694,352 2.778,353 5.5,354 3.339,355 2.412,356 3.02,357 0.86,358 7.382,359 2.231,360 3.475,361 2.691,362 5.217,363 3.078,364 2.14,365 2.782,366 0.4,367 6.48,368 2.001,369 3.355,370 2.555,371 5.19,372 2.972,373 2.061,374 2.604,375 0.4,376 6.118,377 1.867,378 3.298,379 2.402,380 4.959,381 2.84,382 1.912,383 2.593,384 0.141,385 5.726,386 1.764,387 3.103,388 2.154,389 4.898,390 2.765,391 1.818,392 2.208,394 5.276,395 1.704,396 2.825,397 1.907,398 4.173,399 2.331,400 1.416,401 1.955,403 3.756,404 1.289,405 2.649,406 1.693,407 4.028,408 2.165,409 1.171,410 1.625,411 3.088,412 1.151,413 2.201,414 1.631,415 3.78,416 1.967,417 1.145,418 1.187,419 2.397,420 0.937,421 1.688,422 1.025,423 3.18,424 1.332,425 0.433,426 0.516,427 1.046,428 0.382,429 1.576,430 0.916,431 3.021,432 1.27,433 0.396,434 0.452,435 0.651,436 0.342,437 1.525,438 0.79,439 2.971,440 1.217,441 0.352,442 0.386,443 0.603,444 0.301,445 15.352,446 0.452,447 1.025,448 0.03,449 47,450 1.382,451 23,452 0.676,453 24,454 0.706,455 28.102,456 0.827,457 38.048,458 0.668,459 40.445,460 1.19,461 9.545,462 0.281,463 6.688,464 0.197,465 0.203,466 0.033,467 0.358,470 1,471 0.854,472 1.402,473 0.693,474 1.268,475 0.651,476 0.986,477 1.044,478 0.938,479 0.665,480 0.846,481 0.692,482 0.688,483 1.099,484 1.139,485 0.993,486 1.062,487 1.002,488 1.006,489 0.962,490 0.996,491 1.021,492 1.05,493 1.094,494 1.054,495 1.027,496 0.99,497 1.075,498 1,499 0.725,500 1.049,501 0.941,502 1.075,503 1.121,504 1.068,505 0.993,506 1.136,507 0.72,508 1.088,509 0.69,510 0.892,511 0.849,512 0.796,513 1.182,514 1.059,515 0.967,516 0.742,517 1.328,518 0.739,519 9.5,520 0.26,521 4.444,522 2.938,523 2.747,524 1.215,525 0.847,526 0.582,527 0.476,528 0.451,529 16879,530 54611,531 2.018,532 40.4,534 13,536 1,537 3,539 6,542 1.758,543 1.846,544 3.693,545 0.928,547 1,550 103.206,551 1.811,552 3.728,553 4.529,554 4.766,555 4.85,556 4.995,557 3.125,558 4.572,559 5.062,560 3.885,561 2179.36,562 8.865,563 33835.9,568 332.475,569 1.667,570 4.989,571 0.257,572 0.008,573 0.082,574 0.05,575 0.053,576 0.025,577 0.02,578 0.014,579 0.012,580 0.012,581 0.533,582 0.33,583 0.75,584 0.928,585 183.474,586 -0.111,587 -0.275,588 0.046,589 -0.179,590 -0.097,591 -0.04,592 -0.053,593 0.056,594 0.236,595 0.155,596 0.032,597 0.25,598 0.032,599 -0.029,600 -0.108,601 -0.084,602 0.026,603 -0.133,604 -0.034,605 -0.021,606 -0.093,607 -0.074,608 -0.096,609 -0.102,610 -0.106,611 -0.045,612 -0.126,613 -0.025,614 -0.017,615 -0.079,616 -0.034,617 -0.044,618 -0.157,619 -0.103,620 -0.078,621 -0.165,622 0.111,623 -0.13,624 0.349,625 0.066,626 0.097,627 0.24,628 -0.051,629 0.153,630 0.052,631 0.164,632 -0.06,633 0.165,634 2.364,635 6.439,636 0.647,637 36.18,638 1.03,639 1.142,640 2.038,641 4.155,642 0.651,643 3.638,644 4.007,645 4.277,646 4.522,647 4.787,648 4.828,649 4.942,650 5.069,651 5.198,652 5.273,653 7.926,654 0.646,655 470.51,656 3.638,657 5.209,658 6.071,659 6.969,660 7.847,661 8.743,662 9.626,663 10.521,664 11.406,665 12.301,666 10.5,673 1,674 2,676 3,681 5,682 3,686 10,688 18,699 2,703 4,704 1,705 57,706 19,707 1,708 37,710 60,711 22,712 15,713 4,714 2,717 4,718 5,721 2,725 1,729 16,730 6,731 1,733 1,737 1,740 1,744 1,745 1,747 23,748 12,749 3,750 12,755 6,760 0.75,761 5,773 1,774 1,779 4,783 1,790 1,803 3,807 5,809 1,811 34,818 3,819 4,823 1,832 1,833 8.8,836 1,838 4,841 18.417,842 11.993,843 7.486,844 2.984,847 3.524,848 1.431,849 0.952,850 6.748,851 11.706,852 3.871,853 4.494,854 5.042,855 5.575,856 6.132,857 6.338,858 6.661,859 7.076,860 7.442,861 7.783,862 0.889,863 59,864 12.559,865 5.385,866 8.002,867 22.985,868 18.11,869 2.502,870 85.083,874 235.422,875 143.691,876 104.389,878 69.144,879 14.96,881 143.691,882 304.567,883 119.349,884 50.3,885 18.011,886 37.905,887 91.977,888 121.92,889 23.843,890 223.651,892 235.422,893 248.08,894 84.105,897 179.756,898 139.771,900 82.629,901 115.094,902 50.357,904 250.382,905 173.533,906 143.691,909 235.422,910 46.439,911 97.252,912 54.032,913 134.461,914 235.422,915 188.493,916 143.691,918 0.591,919 0.358,920 0.188,921 0.106,922 26,923 13,924 0.117,925 7,926 1,927 1.091,928 4.336,929 319.203,930 0.091,931 22,932 162.974,936 23.946,937 9.581,938 5.018,940 188.493,941 7.55,942 12.446,946 1.969,948 54.032,949 567.606,950 47,954 12.141,957 -0.338,960 58.712,961 65.113,962 0.31,963 0.639,964 0.777,965 0.817,966 0.831,967 0.856,968 5.145,969 1.912,970 6.107,971 6.118,972 4.691,973 5.182,974 2.693,975 6.974,976 4.549,977 6.383,978 1.818,979 7.714,980 5.726,981 4.511,982 5.147,983 1.593,984 8.127,985 4.326,986 7.723,987 1.416,988 9.424,989 5.276,990 6.392,991 7.39,992 3.387,993 11.154,994 6.13,995 9.094,996 1.171,997 11.194,998 3.756,999 6.976,1000 8.073,1001 3.201,1002 13.092,1003 6.67,1004 10.492,1005 1.145,1006 13.005,1007 3.088,1008 8.392,1009 9.856,1010 4.521,1011 15.716,1012 8.024,1013 11.908,1014 0.433,1015 14.844,1016 2.397,1017 9.311,1018 10.87,1019 4.75,1020 17.977,1021 8.897,1022 13.337,1023 0.396,1024 16.704,1025 1.046,1026 10.566,1027 12.46,1028 5.819,1029 20.489,1030 10.098,1031 3.413,1032 0.352,1033 18.583,1034 0.651,1035 11.635,1036 13.643,1037 6.248,1038 22.885,1039 11.12,1040 3.069,1041 12.355,1042 20.477,1043 0.603,1044 12.837,1045 15.139,1046 7.175,1047 25.374,1048 12.273,1049 2.921,1050 10.264,1051 22.383,1052 4.111,1053 13.973,1054 16.415,1055 7.714,1056 27.828,1057 13.362,1058 2.747,1059 9.146,1060 24.299,1061 3.999,1062 15.163,1063 17.862,1064 8.557,1065 30.317,1066 14.505,1067 2.412,1068 8.822,1069 26.225,1070 3.877,1071 16.332,1072 19.188,1073 9.16,1074 32.797,1075 15.627,1076 2.14,1077 7.382,1078 28.158,1079 3.463,1080 17.523,1081 20.61,1082 9.952,1083 35.293,1084 16.772,1085 2.061,1086 6.48,1087 30.098,1088 3.02,1089 18.709,1090 21.965,1091 10.594,1092 37.787,1093 17.912,1094 16292,1095 29510,1096 23.868,1097 37.097,1098 55.607,1099 57.918,1100 58.353,1101 55.078,1102 55.24,1103 70.054,1104 12.887,1105 166.968,1106 51.143,1107 5.484,1108 6.104,1109 6.824,1110 5.479,1111 5.413,1112 7.111,1113 3.634,1114 19.836,1115 5.249,1116 21.237,1117 1.503,1118 1.565,1119 1.577,1120 1.489,1121 1.493,1122 1.893,1123 0.348,1124 4.513,1125 1.382,1126 4.006,1127 4.042,1128 3.975,1129 3.856,1130 8.201,1131 3.879,1132 3.93,1133 3.95,1134 3.896,1135 3.796,1136 7.428,1137 3.817,1138 3.807,1139 3.843,1140 3.784,1141 3.619,1142 5.034,1143 3.655,1144 3.614,1145 3.659,1146 3.535,1147 3.472,1148 4.951,1149 3.478,1150 3.303,1151 3.355,1152 3.182,1153 3.027,1154 4.876,1155 3.054,1156 3.29,1157 3.35,1158 3.144,1159 3.006,1160 4.58,1161 3.026,1162 3.203,1163 3.282,1164 2.993,1165 2.897,1166 4.469,1167 2.901,1168 3.131,1169 3.211,1170 2.979,1171 2.874,1172 4.453,1173 2.888,1174 0.123,1175 0.111,1176 0.197,1177 0.118,1178 0.092,1179 4.54,1180 0.111,1181 4.104,1182 0.055,1183 7.282,1184 0.334,1185 4.367,1186 0.088,1187 3.413,1188 4.111,1189 2.03,1190 12.355,1191 3.249,1192 1.888,1193 1.867,1194 1.968,1195 2.068,1196 1.087,1197 2.036,1198 1.864,1199 1.84,1200 1.947,1201 2.02,1202 1.068,1203 1.994,1204 1.706,1205 1.666,1206 1.823,1207 1.911,1208 0.915,1209 1.877,1210 1.581,1211 1.537,1212 1.723,1213 1.753,1214 0.723,1215 1.757,1216 1.227,1217 1.163,1218 1.59,1219 1.558,1220 0.584,1221 1.565,1222 1.213,1223 1.149,1224 1.572,1225 1.523,1226 0.574,1227 1.536,1228 1.159,1229 1.071,1230 1.541,1231 1.479,1232 0.562,1233 1.498,1234 1.048,1235 0.975,1236 1.417,1237 1.36,1238 0.469,1239 1.341,1240 4.317,1242 5.673,1244 7.228,1246 8.873,1248 10.565,1250 7.795,1252 14.439,1257 8.453,1258 21.647,1262 -1.018,1267 36.827,1268 103.206,1269 212.487,1270 258.171,1271 271.681,1272 276.436,1273 284.7,1274 73.233,1275 8.182,1276 128.75,1277 128.75,1278 24,1279 12.828,1280 4.322,1281 3.459,1282 57.072,1283 163,1284 140,1285 0.169,1286 224.9,1287 396.64,1288 540.515,1289 44884,1290 1.8,1291 24.457,1292 0.719,1293 0.563,1294 23.587,1295 19.148,1296 16.233,1297 0.439,1298 0.273,1299 9.83,1300 15.114,1301 9.49,1302 7.936,1303 15.822,1304 10.119,1305 15.163,1306 0.281,1307 0.142,1308 14.645,1309 7.664,1310 12.804,1311 0.18,1312 0.069,1313 12.255,1314 4.914,1315 10.285,1316 0.113,1317 0.035,1318 10.104,1319 3.186,1320 8.819,1321 0.074,1322 0.018,1323 8.437,1324 2.171,1325 0.27,1326 105.445,1327 0.205,1328 31.555,1329 0.452,1330 182,1331 708.723,1332 213.875,1333 634.645,1334 856.84,1335 594,1336 216,1337 630.738,1338 249.215,1339 626.056,1340 917.24,1341 582,1342 7.456}
{0 CHEMBL477772,1 1.719,2 11.968,3 3.864,4 14.932,5 122.737,6 8.103,7 0.647,8 4.104,9 4.224,10 3.876,11 3.648,12 5.22,13 3.62,14 4.618,15 4.794,16 4.174,17 4.016,18 5.962,19 3.99,20 4.786,21 4.955,22 4.224,23 4.173,24 5.958,25 4.124,26 4.937,27 5.132,28 4.161,29 4.214,30 6.076,31 4.121,32 5.003,33 5.255,34 4.006,35 4.116,36 6.109,37 4.009,38 4.823,39 5.085,40 3.915,41 3.953,42 5.83,43 3.865,44 4.627,45 4.861,46 3.942,47 3.859,48 5.821,49 3.799,50 4.578,51 4.779,52 3.856,53 3.88,54 5.703,55 3.799,56 0.138,57 0.904,58 12.929,59 4.722,60 20.395,61 5.743,62 0.473,63 1.378,64 22.161,65 7.738,66 72,67 9.924,68 0.338,69 1.611,70 24.428,71 8.777,72 40.919,73 11.033,74 0.405,75 1.764,76 32.164,77 11.123,78 46.141,79 14.3,80 0.678,81 1.676,82 37.021,83 11.492,84 90.976,85 15.73,86 0.506,87 1.46,88 30.445,89 8.58,90 62.666,91 12.541,92 0.541,93 1.281,94 22.957,95 6.991,96 53.727,97 9.878,98 0.292,99 1.246,100 21.137,101 7.269,102 30.346,103 9.7,104 51,105 51,106 0.28,107 0.632,108 0.768,109 0.863,110 0.869,111 0.869,112 3.472,113 0.978,114 -3.85,115 -3.81,116 -3.61,118 38.9,119 2,123 2,138 7,139 2,140 3,141 1,142 1,143 1,146 1,148 1,156 1,157 1,158 1,159 1,163 5,166 3,167 9,169 2,170 4,172 2,173 8,177 9,182 3,184 5,186 2,187 2,188 13,191 1,193 4,195 4,197 2,199 1,200 5,203 2,204 1,205 2,207 1,208 1,211 1,212 1,213 9,218 2,221 3,224 5,225 5,227 2,228 2,230 1,233 1,236 1,237 3,240 1,242 1,245 6,248 3,249 3,251 1,252 2,254 1,257 5,259 1,260 1567,261 20.074,262 20.074,263 20.074,264 20.074,265 20.074,266 17.087,267 26.988,268 11.303,269 20.607,270 16.736,271 16.736,272 16.736,273 16.736,274 16.736,275 12.175,276 41.389,277 5.36,278 17.634,279 4.036,280 1.878,281 1.049,282 0.463,283 0.426,284 0.426,285 4.159,288 1,289 1,290 797,291 3.873,293 77.894,294 294.507,297 134.204,301 1.973,302 31.722,305 1,306 0.83,307 1,308 0.6,310 1,311 1,312 0.78,313 67.5,314 371,315 4.845,316 4.685,317 7.24,318 4.298,319 3.377,320 4.71,321 0.8,322 12.181,323 3.09,324 4.623,325 3.297,326 6.671,327 4.154,328 3.185,329 4.582,330 0.4,331 10.671,332 3.082,333 4.237,334 3.146,335 6.389,336 3.878,337 2.947,338 3.787,340 9.682,341 2.741,342 3.997,343 2.817,344 5.656,345 3.577,346 2.629,347 3.553,349 7.841,350 2.5,351 3.82,352 2.506,353 5.486,354 3.346,355 2.382,356 3.318,358 7.05,359 2.285,360 3.509,361 2.301,362 5.364,363 3.112,364 2.146,365 2.824,367 6.502,368 2.07,369 3.334,370 2.095,371 5.133,372 2.916,373 1.957,374 2.622,376 5.891,377 1.868,378 3.144,379 1.813,380 4.847,381 2.68,382 1.715,383 2.439,385 5.232,386 1.653,387 3.111,388 1.754,389 4.714,390 2.64,391 1.672,392 2.351,394 4.851,395 1.611,396 2.682,397 1.298,398 4.033,399 2.174,400 1.223,401 1.765,403 3.139,404 1.16,405 2.658,406 1.27,407 3.718,408 2.146,409 1.154,410 1.711,411 2.746,412 1.141,413 2.283,414 1.052,415 3.497,416 1.877,417 0.908,418 1.208,419 2.204,420 0.877,421 1.952,422 0.837,423 3.435,424 1.601,425 0.653,426 0.819,427 1.692,428 0.618,429 1.509,430 0.575,431 2.986,432 1.198,433 0.241,434 0.292,435 0.597,436 0.229,437 1.053,438 0.163,439 2.859,440 0.728,441 -0.228,442 -0.28,443 -0.543,444 -0.217,445 14.8,446 0.477,447 1.128,448 0.036,449 44.5,450 1.435,451 24,452 0.774,453 20.5,454 0.661,455 24.917,456 0.804,457 33.2,458 0.615,459 35.768,460 1.154,461 8.627,462 0.278,463 6.003,464 0.194,465 0.207,466 0.056,467 0.358,471 0.646,472 1.405,473 0.81,474 1.222,475 0.793,476 0.943,477 0.651,478 0.977,479 0.775,480 0.841,481 0.405,482 0.735,483 1.224,484 1.209,485 1.01,486 0.995,487 1.002,488 1.014,489 0.968,490 1.273,491 1.225,492 1.344,493 0.872,494 1.296,495 1.054,496 0.952,497 0.939,498 0.903,499 1.158,500 0.98,501 1.024,502 0.959,503 0.805,504 0.783,505 0.875,506 0.861,507 0.733,508 0.846,509 0.75,510 0.696,511 0.422,512 0.796,513 0.915,514 1.121,515 1.039,516 1.123,517 0.727,518 1.157,519 8.5,520 0.21,521 4.444,522 3.514,523 1.662,524 1.118,525 0.839,526 0.568,527 0.387,528 0.368,529 13259,530 38562,531 2.02,532 42.6,533 3,534 13,536 1,537 3,538 3,542 1.734,543 1.833,544 3.556,545 0.94,547 1,550 92.832,551 1.719,552 3.877,553 4.705,554 5.292,555 5.329,556 5.329,557 2.946,558 4.503,559 4.929,560 3.766,561 1751.26,562 8.594,563 25249.5,565 1,568 310.764,569 1.705,570 4.848,571 0.25,572 0.008,573 0.087,574 0.068,575 0.036,576 0.028,577 0.023,578 0.015,579 0.011,580 0.012,581 0.539,582 0.33,583 1,584 0.804,585 162.049,586 0.083,587 -0.169,588 0.198,589 -0.09,590 -0.22,591 0.011,592 0.303,593 0.143,594 0.152,595 0.146,596 0.43,597 0.2,598 -0.258,599 -0.091,600 -0.139,601 -0.035,602 -0.125,603 -0.091,604 -0.087,605 -0.217,606 -0.261,607 -0.332,608 -0.053,609 -0.329,610 -0.022,611 -0.038,612 -0.019,613 0.007,614 -0.078,615 0.002,616 -0.101,617 -0.013,618 0.085,619 0.088,620 -0.099,621 0.105,622 0.208,623 0.196,624 0.121,625 0.167,626 0.253,627 0.128,628 -0.09,629 -0.054,630 -0.155,631 -0.173,632 -0.048,633 -0.205,634 4.739,635 4.78,636 0.677,637 30.508,638 1.009,639 1.132,640 2.616,641 6.846,642 0.679,643 3.555,644 3.951,645 4.205,646 4.454,647 4.644,648 4.691,649 4.875,650 4.949,651 4.97,652 5.069,653 7.362,654 0.648,655 437.58,656 3.555,657 5.142,658 6.004,659 6.909,660 7.785,661 8.688,662 9.57,663 10.471,664 11.356,665 12.256,666 13,670 1,674 3,676 3,680 2,681 8,682 3,686 7,687 1,688 22,699 1,701 1,705 54,706 24,707 2,708 34,710 57,711 21,712 17,713 6,714 6,717 4,718 5,721 2,729 17,730 4,733 2,736 1,737 2,744 1,747 23,748 8,749 3,750 10,751 1,755 7,760 0.75,761 2,771 1,774 1,778 1,779 3,782 1,803 3,805 1,807 4,811 31,812 1,815 1,818 1,822 1,833 3.7,836 2,841 16.917,842 11,843 6.5,844 2.905,847 4.399,848 1.555,849 1.013,850 5.436,851 12.325,852 3.871,853 4.588,854 5.154,855 5.763,856 6.287,857 6.552,858 7.005,859 7.374,860 7.598,861 7.973,862 0.875,863 52,864 11.64,865 5.191,866 7.868,867 21.536,868 17.674,869 2.368,870 73.417,873 1,874 235.422,875 137.582,876 104.437,878 44.313,880 5.807,881 131.775,882 279.735,883 104.437,884 34.443,886 103.433,887 106.318,888 46.926,889 6.984,890 223.651,892 235.422,893 236.212,894 44.313,895 5.807,897 235.422,898 44.313,900 53.653,901 132.325,902 56.042,904 235.422,905 148.75,906 137.582,908 5.807,909 235.422,910 21.951,911 114.725,912 18.011,913 125.838,914 235.422,915 148.75,916 137.582,918 0.607,919 0.351,920 0.18,921 0.094,922 26,923 13,924 0.088,925 5,926 1,927 1.095,928 4.111,929 283.485,930 0.095,931 21,932 149.58,935 1,936 21.253,937 7.929,938 4.256,939 2.015,940 146.974,941 14.416,942 13.347,946 4.204,947 1.86,948 49.302,949 521.755,950 47,953 -3.822,954 23.56,960 54.512,961 61.149,962 0.299,963 0.674,964 0.818,965 0.919,966 0.926,967 0.926,968 5.139,969 1.715,970 6.057,971 5.891,972 4.635,973 5.276,974 0.824,975 6.934,976 4.533,977 6.42,978 1.672,979 7.673,980 5.232,981 4.511,982 5.427,983 0.325,984 8.091,985 4.329,986 7.791,987 1.223,988 9.393,989 4.851,990 6.347,991 7.654,992 0.413,993 11.134,994 6.125,995 9.2,996 1.154,997 11.173,998 3.139,999 6.976,1000 8.57,1001 0.268,1002 13.073,1003 6.662,1004 10.639,1005 0.908,1006 12.992,1007 2.746,1008 8.374,1009 10.353,1010 0.246,1011 15.71,1012 8.017,1013 12.1,1014 0.653,1015 14.838,1016 2.204,1017 9.32,1018 11.606,1019 0.188,1020 17.963,1021 8.872,1022 13.579,1023 0.241,1024 16.706,1025 1.692,1026 10.568,1027 13.229,1028 0.157,1029 20.477,1030 10.07,1031 3.377,1032 -0.228,1033 18.589,1034 0.597,1035 11.65,1036 14.636,1037 0.125,1038 22.858,1039 11.067,1040 3.185,1041 12.181,1042 20.486,1043 -0.543,1044 12.849,1045 16.199,1046 0.102,1047 25.337,1048 12.207,1049 2.947,1050 10.671,1051 22.394,1052 4.71,1053 13.99,1054 17.675,1055 0.082,1056 27.773,1057 13.268,1058 2.629,1059 9.682,1060 24.312,1061 4.582,1062 15.176,1063 19.218,1064 0.067,1065 30.246,1066 14.389,1067 2.382,1068 7.841,1069 26.237,1070 3.787,1071 16.343,1072 20.726,1073 0.054,1074 32.706,1075 15.48,1076 2.146,1077 7.05,1078 28.168,1079 3.553,1080 17.528,1081 22.262,1082 0.043,1083 35.182,1084 16.596,1085 1.957,1086 6.502,1087 30.105,1088 3.318,1089 18.708,1090 23.786,1091 0.035,1092 37.655,1093 17.701,1094 12703,1095 21887,1096 21.789,1097 36.688,1098 52.702,1099 53.364,1100 54.365,1101 52.426,1102 52.377,1103 71.959,1104 2.4,1105 160.562,1106 49.856,1107 5.643,1108 6.685,1109 6.787,1110 5.375,1111 5.377,1112 7.71,1113 1.2,1114 19.593,1115 5.09,1116 19.722,1117 1.55,1118 1.57,1119 1.599,1120 1.542,1121 1.54,1122 2.116,1123 0.071,1124 4.722,1125 1.466,1126 4.133,1127 4.171,1128 4.73,1129 4.071,1130 7.726,1131 4.035,1132 4.07,1133 4.062,1134 4.093,1135 4.008,1136 6.999,1137 3.978,1138 3.848,1139 3.896,1140 3.85,1141 3.672,1142 5.057,1143 3.691,1144 3.642,1145 3.646,1146 3.7,1147 3.547,1148 4.982,1149 3.474,1150 3.527,1151 3.585,1152 3.447,1153 3.352,1154 4.826,1155 3.364,1156 3.254,1157 3.343,1158 3.109,1159 3.071,1160 4.658,1161 3.064,1162 3.182,1163 3.275,1164 2.999,1165 2.969,1166 4.406,1167 2.962,1168 3.101,1169 3.209,1170 2.878,1171 2.887,1172 4.064,1173 2.871,1174 0.143,1175 0.138,1176 0.213,1177 0.126,1178 0.099,1179 4.845,1180 0.139,1181 4.685,1182 0.024,1183 7.24,1184 0.358,1185 4.298,1186 0.091,1187 3.377,1188 4.71,1189 0.8,1190 12.181,1191 3.09,1192 1.98,1193 1.982,1194 2.032,1195 2.073,1196 1.212,1197 2.086,1198 1.945,1199 1.921,1200 2.012,1201 2.027,1202 1.185,1203 2.037,1204 1.732,1205 1.686,1206 1.837,1207 1.903,1208 0.907,1209 1.894,1210 1.576,1211 1.504,1212 1.767,1213 1.846,1214 0.796,1215 1.824,1216 1.455,1217 1.479,1218 1.585,1219 1.647,1220 0.634,1221 1.688,1222 1.276,1223 1.19,1224 1.534,1225 1.54,1226 0.599,1227 1.559,1228 1.212,1229 1.13,1230 1.517,1231 1.434,1232 0.571,1233 1.471,1234 1.107,1235 1,1236 1.277,1237 1.374,1238 0.515,1239 1.43,1240 4.234,1242 5.609,1243 2.398,1244 7.165,1245 4.844,1246 8.797,1247 7.002,1248 10.47,1250 7.56,1254 5.298,1257 3.046,1261 1.932,1267 34.981,1268 92.832,1269 209.338,1270 254.093,1271 285.744,1272 287.744,1273 287.744,1274 54.45,1275 7.926,1276 119.03,1277 127.41,1278 23,1279 12.781,1280 4.644,1281 3.807,1282 49.612,1283 139,1284 116,1285 0.174,1286 220.046,1287 365.51,1288 528.671,1289 32767,1291 22.336,1292 0.721,1293 0.596,1294 22.586,1295 18.473,1296 14.63,1297 0.43,1298 0.326,1299 9.518,1300 13.273,1301 9.001,1302 7.557,1303 15.524,1304 11.085,1305 14.586,1306 0.286,1307 0.174,1308 15.954,1309 8.888,1310 11.723,1311 0.178,1312 0.095,1313 12.481,1314 6.29,1315 9.589,1316 0.113,1317 0.049,1318 10.318,1319 4.178,1320 7.514,1321 0.073,1322 0.025,1323 7.966,1324 2.524,1325 0.277,1326 100.934,1327 0.214,1328 29.198,1329 0.468,1330 170,1331 506.202,1332 221.141,1333 518.907,1334 714.91,1335 478,1336 202,1337 521.846,1338 261.213,1339 566.356,1340 818.81,1341 527,1342 5.301}
{0 CHEMBL483321,1 1.549,2 16.286,3 4.201,4 17.647,5 136.188,6 7.574,7 0.605,8 4.219,9 4.334,10 3.798,11 3.75,12 5.372,13 3.741,14 4.713,15 4.881,16 4.114,17 4.088,18 5.834,19 4.065,20 4.892,21 5.066,22 4.171,23 4.211,24 6.035,25 4.164,26 4.97,27 5.189,28 4.054,29 4.205,30 5.978,31 4.122,32 4.93,33 5.153,34 4.037,35 4.194,36 5.95,37 4.11,38 4.912,39 5.13,40 4.015,41 4.194,42 5.905,43 4.104,44 4.919,45 5.161,46 3.979,47 4.16,48 5.887,49 4.063,50 4.817,51 5.03,52 3.921,53 4.071,54 5.859,55 3.981,56 0.036,57 0.9,58 12.045,59 5.384,60 9.303,61 6.875,62 0.31,63 1.382,64 22.644,65 8.603,66 31.037,67 11.199,68 0.486,69 1.615,70 27.549,71 10.039,72 53.629,73 13.253,74 0.396,75 1.673,76 31.843,77 11.542,78 48.311,79 15.663,80 0.388,81 1.638,82 30.406,83 10.993,84 50.395,85 15.232,86 0.308,87 1.621,88 29.417,89 10.988,90 40.691,91 15.156,92 0.336,93 1.617,94 30.451,95 10.971,96 41.058,97 15.655,98 0.304,99 1.472,100 26.418,101 10.123,102 38.738,103 13.742,104 24,105 51,106 0.246,107 0.623,108 0.817,109 0.894,110 0.899,111 0.899,112 3.588,113 0.882,114 -4.15,115 -4.09,116 -3.87,118 43.5,119 2,123 1,124 2,132 2,138 8,139 3,140 3,141 1,142 2,143 1,144 1,151 1,163 10,166 1,167 8,170 2,172 4,173 11,176 2,177 8,180 1,182 4,184 10,188 6,191 1,193 4,195 7,200 10,203 1,205 4,208 9,213 10,218 3,221 10,224 1,225 6,230 1,233 11,237 6,240 3,241 1,242 1,245 11,248 1,249 5,257 5,260 2673,261 23.817,262 23.817,263 23.817,264 23.817,265 23.817,266 20.668,267 26.984,268 14.393,269 24.396,270 18.757,271 18.757,272 18.757,273 18.757,274 18.757,275 14.02,276 35.961,277 6.834,278 19.599,279 4.405,280 2.03,281 0.811,282 0.327,283 0.295,284 0.295,285 4.286,289 1,290 1212,291 3.937,294 449.957,298 176.052,301 2.784,302 27.117,305 1,306 0.83,307 0.83,308 0.6,309 0.5,310 1,311 1,312 0.82,313 75.5,314 570,315 4.532,316 3.601,317 6.536,318 4.053,319 3.081,320 4.47,321 2.032,322 10.341,323 2.997,324 4.264,325 3.219,326 6.104,327 3.857,328 2.895,329 3.911,330 0.9,331 8.927,332 2.787,333 3.989,334 3.114,335 5.475,336 3.542,337 2.583,338 3.595,339 0.86,340 7.338,341 2.468,342 3.792,343 2.756,344 5.355,345 3.401,346 2.421,347 3.232,348 0.546,349 6.918,350 2.371,351 3.655,352 2.548,353 5.246,354 3.347,355 2.36,356 2.966,357 0.4,358 6.599,359 2.318,360 3.598,361 2.384,362 5.028,363 3.199,364 2.236,365 2.826,367 6.063,368 2.143,369 3.403,370 2.268,371 5.006,372 2.986,373 2.034,374 2.738,376 5.797,377 1.928,378 3.282,379 2.038,380 4.864,381 2.824,382 1.861,383 2.581,385 5.512,386 1.789,387 2.975,388 1.956,389 4.149,390 2.458,391 1.504,392 2.16,394 3.667,395 1.433,396 2.821,397 1.884,398 4.097,399 2.4,400 1.414,401 1.95,403 3.545,404 1.39,405 2.788,406 1.643,407 3.604,408 2.323,409 1.383,410 1.796,411 2.999,412 1.297,413 2.5,414 1.425,415 3.425,416 1.959,417 1.027,418 1.5,419 2.286,420 0.956,421 2.388,422 1.018,423 3.414,424 1.931,425 1,426 1.341,427 2.275,428 0.925,429 2.151,430 1,431 3.128,432 1.869,433 0.94,434 1.103,435 1.745,436 0.858,437 1.79,438 0.849,439 3.081,440 1.422,441 0.483,442 0.59,443 1.157,444 0.448,445 16.5,446 0.471,447 0.746,448 0.021,449 48.75,450 1.393,451 26,452 0.743,453 22.75,454 0.65,455 27.031,456 0.772,457 36.9,458 0.595,459 39.172,460 1.119,461 10.089,462 0.288,463 6.923,464 0.198,465 0.111,467 0.303,471 0.844,472 1.323,473 0.773,474 1.106,475 0.685,476 0.952,477 1.083,478 1.022,479 0.856,480 0.912,481 0.748,482 0.86,483 1.108,484 1.123,485 1.072,486 1.052,487 1.13,488 1.053,489 1.093,490 1.028,491 1.032,492 0.996,493 0.989,494 1.007,495 0.924,496 0.985,497 0.985,498 0.935,499 1.067,500 0.961,501 0.902,502 1.069,503 1.015,504 1.014,505 0.759,506 1.028,507 0.699,508 0.955,509 0.921,510 0.942,511 0.661,512 0.951,513 0.82,514 1.034,515 1.063,516 1.171,517 0.978,518 1.158,519 7,520 0.165,521 3.333,522 1.688,523 1.942,524 0.681,525 0.768,526 0.568,527 0.3,528 0.325,529 20240,530 56117,531 2.075,532 43.5,533 3,534 17,536 2,537 2,538 3,542 1.764,543 1.963,544 3.939,545 0.162,550 96.032,551 1.549,552 3.924,553 5.143,554 5.627,555 5.66,556 5.66,557 3.476,558 4.958,559 5.091,560 4.125,561 2454.23,562 8.928,563 40836.7,568 369.16,569 1.316,570 5.07,571 0.184,572 0.005,573 0.065,574 0.032,575 0.042,576 0.015,577 0.017,578 0.013,579 0.008,580 0.009,581 0.391,582 0.33,583 0.88,584 1.53,585 193.894,586 -0.043,587 -0.171,588 0.051,589 -0.076,590 -0.067,591 -0.009,592 -0.012,593 0.057,594 0.069,595 0.076,596 0.037,597 0.08,598 0.009,599 -0.054,600 -0.135,601 -0.076,602 -0.047,603 -0.119,604 -0.114,605 -0.04,606 -0.058,607 -0.006,608 -0.079,609 -0.023,610 -0.069,611 0.024,612 -0.025,613 0.053,614 -0.076,615 0.026,616 -0.107,617 -0.06,618 -0.071,619 -0.015,620 -0.072,621 -0.035,622 0.006,623 0.049,624 0.04,625 0.044,626 0.019,627 0.052,628 0.029,629 -0.015,630 -0.118,631 -0.181,632 -0.043,633 -0.177,634 1.821,635 4.491,636 0.629,637 52.617,638 1.003,639 1.124,640 2.919,641 8.523,642 0.674,643 3.664,644 3.951,645 4.174,646 4.407,647 4.663,648 4.691,649 4.836,650 4.997,651 5.118,652 5.193,653 9.067,654 0.646,655 469.59,656 3.664,657 5.187,658 6.014,659 6.87,660 7.716,661 8.578,662 9.434,663 10.3,664 11.163,665 12.032,666 8.1,673 1,674 1,676 3,680 2,681 10,682 3,686 7,688 23,699 1,703 1,705 62,706 25,707 2,708 38,710 65,711 27,712 19,713 6,714 6,715 2,717 4,718 5,721 2,729 22,730 5,733 2,737 1,738 2,740 1,747 27,748 8,749 2,750 8,755 5,760 0.75,761 3,773 1,774 1,779 4,783 1,790 1,795 2,802 1,803 3,807 3,811 35,817 2,818 2,819 2,833 4.8,836 1,837 1,838 1,841 17.833,842 12.1,843 7.833,844 3.461,847 4.854,848 1.591,849 0.98,850 8.04,851 13.066,852 3.961,853 4.559,854 5.121,855 5.699,856 6.308,857 6.568,858 7.001,859 7.466,860 7.899,861 8.171,862 1,863 52,864 12.851,865 5.267,866 7.719,867 24.43,868 19.166,869 2.219,870 77.667,874 294.278,875 181.781,876 86.378,878 47.145,881 181.781,882 341.422,883 86.378,884 28.533,885 24.709,886 94.762,887 114.748,888 73.765,889 2.328,890 270.735,892 294.278,893 268.159,894 47.145,897 294.278,898 36.145,899 11,900 82.937,901 115.913,902 69.309,904 294.278,905 133.523,906 181.781,909 294.278,910 40.819,911 140.962,912 36.022,913 97.501,914 294.278,915 133.523,916 181.781,918 0.57,919 0.322,920 0.169,921 0.094,922 22,923 10,924 0.138,925 9,926 1,927 1.091,928 4.716,929 312.44,930 0.091,931 22,932 179.525,936 24.336,937 11.563,938 6.631,939 1.721,940 133.523,941 18.899,942 13.105,946 5.946,948 36.022,949 609.582,950 51.5,954 11.491,955 3.83,957 -0.155,960 62.211,961 69.687,962 0.26,963 0.659,964 0.864,965 0.945,966 0.951,967 0.951,968 5.169,969 1.861,970 5.974,971 5.797,972 4.635,973 5.247,974 2.488,975 6.725,976 4.557,977 6.371,978 1.504,979 7.493,980 5.512,981 4.111,982 4.997,983 1.593,984 7.486,985 4.028,986 7.665,987 1.414,988 9.107,989 3.667,990 6.172,991 7.453,992 3.32,993 10.559,994 6.028,995 8.994,996 1.383,997 10.779,998 3.545,999 6.447,1000 8.021,1001 3.201,1002 12.157,1003 6.293,1004 10.351,1005 1.027,1006 12.487,1007 2.999,1008 7.962,1009 9.945,1010 4.508,1011 14.742,1012 7.759,1013 11.731,1014 1,1015 14.222,1016 2.286,1017 8.633,1018 10.932,1019 4.754,1020 16.724,1021 8.411,1022 13.127,1023 0.94,1024 15.978,1025 2.275,1026 9.908,1027 12.616,1028 5.82,1029 19.136,1030 9.647,1031 3.081,1032 0.483,1033 17.75,1034 1.745,1035 10.787,1036 13.834,1037 6.253,1038 21.301,1039 10.501,1040 2.895,1041 10.341,1042 19.536,1043 1.157,1044 11.956,1045 15.404,1046 7.18,1047 23.65,1048 11.637,1049 2.583,1050 8.927,1051 21.333,1052 4.47,1053 12.943,1054 16.748,1055 7.72,1056 25.9,1057 12.597,1058 2.421,1059 7.338,1060 23.141,1061 3.911,1062 14.067,1063 18.266,1064 8.563,1065 28.229,1066 13.69,1067 2.36,1068 6.918,1069 24.957,1070 3.595,1071 15.111,1072 19.677,1073 9.167,1074 30.519,1075 14.706,1076 2.236,1077 6.599,1078 26.78,1079 3.232,1080 16.218,1081 21.173,1082 9.96,1083 32.843,1084 15.785,1085 2.034,1086 6.063,1087 28.61,1088 2.966,1089 17.291,1090 22.62,1091 10.603,1092 35.152,1093 16.83,1094 19478,1095 32566,1096 25.542,1097 41.767,1098 55.955,1099 56.907,1100 56.87,1101 55.214,1102 55.313,1103 74.611,1104 9.474,1105 152.226,1106 53.036,1107 5.377,1108 5.601,1109 6.315,1110 5.132,1111 5.081,1112 7.47,1113 3.636,1114 17.186,1115 4.997,1116 16.95,1117 1.472,1118 1.498,1119 1.497,1120 1.453,1121 1.456,1122 1.963,1123 0.249,1124 4.006,1125 1.396,1126 4.087,1127 4.119,1128 4.053,1129 4.003,1130 7.429,1131 4.01,1132 3.944,1133 3.967,1134 3.896,1135 3.858,1136 5.085,1137 3.863,1138 3.83,1139 3.869,1140 3.769,1141 3.735,1142 4.975,1143 3.739,1144 3.712,1145 3.761,1146 3.626,1147 3.527,1148 4.736,1149 3.539,1150 3.533,1151 3.572,1152 3.455,1153 3.325,1154 4.609,1155 3.355,1156 3.332,1157 3.397,1158 3.21,1159 3.14,1160 4.548,1161 3.149,1162 3.217,1163 3.286,1164 3.095,1165 3.035,1166 4.308,1167 3.034,1168 3.179,1169 3.258,1170 2.999,1171 3.017,1172 4.222,1173 2.999,1174 0.119,1175 0.095,1176 0.172,1177 0.107,1178 0.081,1179 4.532,1180 0.118,1181 3.601,1182 0.053,1183 6.536,1184 0.272,1185 4.053,1186 0.079,1187 3.081,1188 4.47,1189 2.032,1190 10.341,1191 2.997,1192 2.031,1193 2.005,1194 2.099,1195 2.132,1196 1.221,1197 2.123,1198 1.91,1199 1.889,1200 2.012,1201 2.02,1202 1.129,1203 2.017,1204 1.81,1205 1.775,1206 1.938,1207 1.93,1208 0.994,1209 1.936,1210 1.64,1211 1.591,1212 1.816,1213 1.867,1214 0.946,1215 1.849,1216 1.452,1217 1.415,1218 1.673,1219 1.69,1220 0.752,1221 1.685,1222 1.288,1223 1.225,1224 1.555,1225 1.531,1226 0.618,1227 1.534,1228 1.201,1229 1.132,1230 1.52,1231 1.431,1232 0.584,1233 1.464,1234 1.196,1235 1.121,1236 1.48,1237 1.419,1238 0.524,1239 1.453,1240 4.344,1242 5.638,1244 7.124,1246 8.701,1248 10.328,1250 5.425,1256 0.467,1257 6.157,1258 10.781,1267 40.046,1268 96.032,1269 243.28,1270 318.896,1271 348.896,1272 350.896,1273 350.896,1274 56.08,1275 8.212,1276 98.26,1277 98.26,1278 24,1279 12.578,1280 4.7,1281 3.858,1282 59.763,1283 185,1284 223,1285 0.152,1286 248.094,1287 429.67,1288 597.11,1289 50363,1291 24.623,1292 0.704,1293 0.569,1294 24.623,1295 19.909,1296 17.012,1297 0.448,1298 0.294,1299 10.993,1300 16.321,1301 10.623,1302 8.912,1303 17.012,1304 11.168,1305 14.986,1306 0.294,1307 0.156,1308 14.986,1309 7.981,1310 12.116,1311 0.189,1312 0.081,1313 12.116,1314 5.212,1315 9.825,1316 0.121,1317 0.043,1318 9.825,1319 3.447,1320 8.179,1321 0.078,1322 0.022,1323 8.179,1324 2.33,1325 0.247,1326 106.9,1327 0.198,1328 33.048,1329 0.393,1330 178,1331 544.808,1332 195.684,1333 525.652,1334 718.87,1335 494,1336 204,1337 525.974,1338 221.519,1339 536.926,1340 773.19,1341 501,1342 5}
{0 CHEMBL491473,1 1.62,2 13.576,3 4.761,4 22.67,5 124.882,6 7.509,7 0.568,8 4.211,9 4.322,10 3.792,11 3.709,12 5.292,13 3.709,14 4.775,15 4.948,16 4.155,17 4.097,18 5.811,19 4.084,20 4.983,21 5.18,22 4.213,23 4.194,24 6.059,25 4.156,26 5.01,27 5.231,28 4.148,29 4.152,30 6.061,31 4.1,32 4.934,33 5.142,34 4.089,35 4.104,36 6.004,37 4.047,38 4.941,39 5.159,40 4.06,41 4.078,42 5.997,43 4.026,44 4.887,45 5.106,46 4.015,47 4.038,48 5.957,49 3.996,50 4.778,51 4.973,52 3.993,53 4.034,54 5.831,55 3.979,56 0.058,57 0.944,58 12.288,59 5.569,60 7.222,61 7.017,62 0.379,63 1.51,64 24.914,65 9.094,66 25.934,67 11.839,68 0.644,69 1.772,70 32.376,71 11.278,72 49.412,73 14.879,74 0.687,75 1.792,76 34.886,77 12.037,78 55.404,79 15.843,80 0.719,81 1.649,82 31.833,83 11.332,84 58.454,85 14.828,86 0.636,87 1.671,88 32.56,89 11.127,90 57.323,91 14.538,92 0.737,93 1.614,94 31.105,95 9.673,96 61.559,97 12.704,98 0.45,99 1.468,100 25.697,101 9.439,102 40.61,103 12.598,104 11,105 52,106 0.26,107 0.591,108 0.781,109 0.84,110 0.855,111 0.855,112 3.532,113 0.913,114 -4.48,115 -4.4,116 -4.15,118 41.7,119 1,120 3,123 1,124 4,138 5,139 2,140 4,142 1,143 1,144 1,148 2,163 4,166 2,167 11,172 4,173 3,176 1,177 8,182 1,184 4,187 3,188 5,195 6,199 3,200 3,203 1,208 5,212 2,213 7,221 5,224 1,225 4,228 1,230 1,233 3,236 1,237 8,242 1,245 4,249 5,252 1,254 1,257 3,260 2042,261 22.748,262 22.748,263 22.748,264 22.748,265 22.748,266 20.254,267 25.689,268 13.406,269 23.51,270 18.236,271 18.236,272 18.236,273 18.236,274 18.236,275 14.366,276 29.075,277 6.311,278 19.42,279 4.287,280 2.23,281 1.048,282 0.684,283 0.592,284 0.592,285 4.241,288 1,289 1,290 993,291 3.391,293 174.036,294 256.64,297 134.209,298 146.548,301 2.498,302 35.312,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 72.5,314 448,315 4.62,316 3.446,317 6.671,318 4.141,319 3.184,320 4.569,321 0.86,322 10.723,323 3.047,324 4.557,325 3.285,326 6.571,327 4.067,328 3.102,329 4.504,330 0.86,331 10.452,332 2.991,333 4.013,334 3.004,335 6.051,336 3.597,337 2.675,338 3.516,339 0.86,340 8.715,341 2.455,342 3.838,343 2.848,344 5.742,345 3.469,346 2.541,347 3.331,348 0.8,349 7.75,350 2.359,351 3.542,352 2.702,353 5.352,354 3.392,355 2.453,356 2.808,358 6.997,359 2.292,360 3.427,361 2.323,362 5.183,363 2.95,364 2.018,365 2.545,367 6.151,368 1.876,369 3.235,370 2.283,371 4.81,372 2.794,373 1.827,374 2.542,376 5.204,377 1.761,378 3.125,379 2.005,380 4.697,381 2.684,382 1.754,383 2.37,385 4.888,386 1.63,387 3.004,388 1.863,389 4.511,390 2.6,391 1.647,392 2.219,394 4.452,395 1.561,396 2.751,397 1.581,398 3.938,399 2.431,400 1.477,401 1.81,403 3.333,404 1.401,405 2.52,406 1.47,407 3.656,408 2.244,409 1.332,410 1.522,411 3.003,412 1.206,413 2.148,414 1.277,415 3.531,416 2.024,417 1.072,418 1.133,419 2.376,420 1.014,421 2.069,422 1.115,423 3.35,424 1.591,425 0.657,426 0.881,427 1.695,428 0.6,429 1.847,430 0.951,431 3.198,432 1.559,433 0.621,434 0.757,435 1.465,436 0.576,437 1.618,438 0.744,439 3,440 1.539,441 0.618,442 0.618,443 1.372,444 0.572,445 15.386,446 0.466,447 0.725,448 0.022,449 42,450 1.273,451 19.5,452 0.591,453 22.5,454 0.682,455 29.467,456 0.893,457 36.214,458 0.604,459 32.458,460 0.984,461 8.196,462 0.248,463 7.922,464 0.24,465 0.084,467 0.351,470 1,471 0.781,472 1.282,473 0.744,474 1.191,475 0.588,476 1,477 1.017,478 0.997,479 0.842,480 0.93,481 0.66,482 0.858,483 1.005,484 1.064,485 0.93,486 1.028,487 0.769,488 0.968,489 1.102,490 1.004,491 0.901,492 0.97,493 1.104,494 0.915,495 1.021,496 1.006,497 0.94,498 1.03,499 1.03,500 0.992,501 1.2,502 1.125,503 0.96,504 0.998,505 1.236,506 0.947,507 1.389,508 0.876,509 1.056,510 0.765,511 1.279,512 0.825,513 0.862,514 1.094,515 0.986,516 1.128,517 0.825,518 1.088,519 6,520 0.21,521 3.556,522 2.229,523 2.107,524 0.941,525 0.642,526 0.563,527 0.411,528 0.268,529 17177,530 41140,531 2.15,532 45,534 16,536 1,537 1,538 3,539 4,540 2,542 1.751,543 2.041,544 3.693,545 -0.352,550 97.18,551 1.62,552 3.677,553 4.859,554 5.223,555 5.315,556 5.315,557 3.279,558 4.741,559 5.009,560 3.903,561 2060.66,562 8.77,563 31239.1,565 1,568 354.413,569 1.301,570 4.989,571 0.162,572 0.007,573 0.068,574 0.043,575 0.044,576 0.021,577 0.015,578 0.013,579 0.01,580 0.007,581 0.39,582 0.17,583 0.88,584 0.62,585 176.565,586 -0.033,587 -0.195,588 0.072,589 -0.113,590 -0.003,591 -0.017,592 -0.058,593 0.007,594 0.078,595 0.066,596 0.044,597 0.096,598 0.054,599 -0.065,600 0.035,601 -0.04,602 0.146,603 -0.006,604 0.048,605 0.005,606 0.106,607 0.022,608 0.057,609 0.064,610 0.121,611 -0.01,612 0.052,613 -0.025,614 0.076,615 -0.011,616 -0.018,617 -0.099,618 0.05,619 -0.005,620 -0.009,621 0.028,622 -0.141,623 0.162,624 -0.036,625 0.184,626 -0.084,627 0.11,628 0.039,629 -0.081,630 -0.056,631 -0.125,632 0.022,633 -0.112,634 2.103,635 7.026,636 0.727,637 40.777,638 1.008,639 1.132,640 3.246,641 10.539,642 0.658,643 3.638,644 3.97,645 4.277,646 4.564,647 4.771,648 4.875,649 5.011,650 5.182,651 5.293,652 5.375,653 7.904,654 0.632,655 450.56,656 3.638,657 5.187,658 6.052,659 6.938,660 7.82,661 8.711,662 9.6,663 10.494,664 11.387,665 12.284,666 6.7,669 1,674 1,676 2,680 4,681 6,682 2,683 1,686 6,688 21,703 3,704 1,705 60,706 21,707 2,708 37,710 64,711 25,712 16,713 8,714 4,717 5,718 7,721 1,724 2,727 3,729 16,730 9,745 1,747 27,748 7,749 1,750 8,755 4,760 0.6,761 3,774 1,775 1,776 1,778 2,779 3,782 1,783 1,800 1,803 3,807 2,809 1,811 33,817 7,819 3,822 1,832 1,833 5,838 3,841 16.167,842 11.493,843 7.25,844 3.763,847 4.357,848 1.52,849 1.007,850 6.45,851 12.731,852 3.882,853 4.53,854 5.18,855 5.827,856 6.406,857 6.783,858 7.209,859 7.673,860 8.015,861 8.307,862 1,863 52,864 12.269,865 5.289,866 7.687,867 23.57,868 19.53,869 2.187,870 72.167,873 1,874 306.049,875 136.078,876 53.481,878 33,879 14.96,881 136.078,882 339.048,883 68.441,884 19.708,885 18.513,886 47.381,887 45.342,888 93.669,889 24.676,890 294.278,892 306.049,893 189.559,894 47.96,897 250.382,898 103.626,900 58.011,901 97.977,902 33.571,904 321.009,905 86.481,906 136.078,909 306.049,910 60.37,911 78.832,912 16.786,913 81.531,914 306.049,915 101.441,916 136.078,918 0.579,919 0.348,920 0.195,921 0.101,922 26,923 11,924 0.125,925 8,926 2,927 1.167,928 4.499,929 310.121,930 0.167,931 24,932 162.465,936 22.084,937 9.638,938 4.671,939 2.446,940 84.655,941 10.13,942 8.596,943 3.124,946 1.971,948 16.786,949 543.567,950 47.5,960 60.505,961 67.944,962 0.274,963 0.622,964 0.823,965 0.884,966 0.9,967 0.9,968 5.125,969 1.754,970 6.033,971 5.204,972 4.654,973 5.218,974 1.856,975 6.855,976 4.535,977 6.337,978 1.647,979 7.595,980 4.888,981 4.205,982 5.13,983 0.325,984 7.756,985 4.034,986 7.657,987 1.477,988 9.258,989 4.452,990 6.256,991 7.516,992 1.557,993 10.879,994 6.036,995 9.019,996 1.332,997 10.98,998 3.333,999 6.661,1000 8.298,1001 0.268,1002 12.618,1003 6.392,1004 10.416,1005 1.072,1006 12.741,1007 3.003,1008 8.145,1009 10.155,1010 1.308,1011 15.246,1012 7.839,1013 11.838,1014 0.657,1015 14.528,1016 2.376,1017 8.944,1018 11.334,1019 0.188,1020 17.332,1021 8.593,1022 13.279,1023 0.621,1024 16.335,1025 1.695,1026 10.209,1027 12.985,1028 1.087,1029 19.789,1030 9.824,1031 3.184,1032 0.618,1033 18.156,1034 1.465,1035 11.191,1036 14.347,1037 0.125,1038 22.025,1039 10.766,1040 3.102,1041 10.723,1042 19.989,1043 1.372,1044 12.371,1045 15.915,1046 0.89,1047 24.419,1048 11.912,1049 2.675,1050 10.452,1051 21.831,1052 4.569,1053 13.437,1054 17.359,1055 0.082,1056 26.721,1057 12.94,1058 2.541,1059 8.715,1060 23.68,1061 4.504,1062 14.587,1063 18.893,1064 0.718,1065 29.092,1066 14.056,1067 2.453,1068 7.75,1069 25.534,1070 3.516,1071 15.692,1072 20.374,1073 0.054,1074 31.425,1075 15.124,1076 2.018,1077 6.997,1078 27.394,1079 3.331,1080 16.833,1081 21.894,1082 0.571,1083 33.788,1084 16.229,1085 1.827,1086 6.151,1087 29.259,1088 2.808,1089 17.958,1090 23.393,1091 0.035,1092 36.134,1093 17.316,1094 15867,1095 24894,1096 25.255,1097 39.461,1098 54.966,1099 56.457,1100 56.473,1101 55.235,1102 55.254,1103 71.726,1104 6.76,1105 159.889,1106 51.828,1107 5.59,1108 5.446,1109 6.382,1110 5.244,1111 5.184,1112 7.569,1113 1.72,1114 18.01,1115 5.047,1116 13.396,1117 1.486,1118 1.526,1119 1.526,1120 1.493,1121 1.493,1122 1.939,1123 0.183,1124 4.321,1125 1.401,1126 4.143,1127 4.172,1128 4.114,1129 4.043,1130 8.201,1131 4.056,1132 4.04,1133 4.065,1134 4.014,1135 3.943,1136 5.134,1137 3.957,1138 3.861,1139 3.932,1140 3.729,1141 3.693,1142 4.918,1143 3.691,1144 3.579,1145 3.622,1146 3.504,1147 3.392,1148 4.775,1149 3.405,1150 3.494,1151 3.542,1152 3.39,1153 3.351,1154 4.502,1155 3.347,1156 3.409,1157 3.46,1158 3.286,1159 3.207,1160 4.451,1161 3.228,1162 3.17,1163 3.24,1164 3.013,1165 2.93,1166 4.322,1167 2.94,1168 3.024,1169 3.088,1170 2.925,1171 2.822,1172 4.076,1173 2.834,1174 0.125,1175 0.093,1176 0.18,1177 0.112,1178 0.086,1179 4.62,1180 0.123,1181 3.446,1182 0.023,1183 6.671,1184 0.29,1185 4.141,1186 0.082,1187 3.184,1188 4.569,1189 0.86,1190 10.723,1191 3.047,1192 1.997,1193 1.982,1194 2.045,1195 2.119,1196 1.24,1197 2.096,1198 1.901,1199 1.884,1200 1.964,1201 1.999,1202 1.211,1203 1.988,1204 1.663,1205 1.595,1206 1.901,1207 1.883,1208 1.165,1209 1.893,1210 1.606,1211 1.547,1212 1.86,1213 1.793,1214 1.114,1215 1.799,1216 1.577,1217 1.507,1218 1.806,1219 1.751,1220 0.909,1221 1.793,1222 1.379,1223 1.337,1224 1.617,1225 1.647,1226 0.886,1227 1.628,1228 1.289,1229 1.216,1230 1.589,1231 1.559,1232 0.584,1233 1.573,1234 1.126,1235 1.059,1236 1.369,1237 1.382,1238 0.443,1239 1.394,1240 4.317,1242 5.645,1243 3.045,1244 7.165,1245 5.283,1246 8.781,1247 7.273,1248 10.452,1250 3.473,1252 15.026,1256 7.491,1258 17.449,1261 2.461,1267 37.935,1268 97.18,1269 220.591,1270 291.52,1271 313.394,1272 318.904,1273 318.904,1274 56.611,1275 8.374,1276 72.5,1277 72.5,1278 28,1279 12.809,1280 4.459,1281 3.524,1282 47.967,1283 154,1284 166,1285 0.149,1286 227.63,1287 388.34,1288 547.176,1289 58561,1290 1.7,1291 22.786,1292 0.69,1293 0.571,1294 21.916,1295 18.858,1296 16.119,1297 0.436,1298 0.304,1299 11.048,1300 15.306,1301 10.798,1302 8.926,1303 15.691,1304 11.257,1305 14.382,1306 0.277,1307 0.16,1308 13.961,1309 8.343,1310 12.562,1311 0.177,1312 0.085,1313 11.939,1314 6.003,1315 10.724,1316 0.113,1317 0.046,1318 10.336,1319 4.342,1320 8.443,1321 0.072,1322 0.023,1323 8.099,1324 2.662,1325 0.237,1326 102.346,1327 0.199,1328 31.049,1329 0.398,1330 178,1331 578.586,1332 200.203,1333 521.051,1334 717.28,1335 492,1336 212,1337 534.902,1338 235.833,1339 531.359,1340 785.64,1341 499,1342 6.585}
{0 CHEMBL494089,1 1.633,2 10.226,3 1.839,4 3.383,5 117.484,6 7.337,7 0.441,8 4.177,9 4.306,10 3.724,11 3.613,12 5.301,13 3.615,14 4.724,15 4.917,16 4.099,17 4.009,18 5.793,19 3.997,20 4.962,21 5.18,22 4.127,23 4.137,24 6.028,25 4.082,26 5.008,27 5.256,28 4.141,29 4.13,30 5.989,31 4.073,32 4.865,33 5.063,34 4.153,35 4.107,36 5.923,37 4.086,38 4.962,39 5.152,40 4.205,41 4.179,42 6.093,43 4.151,44 5.06,45 5.28,46 4.191,47 4.198,48 6.178,49 4.144,50 5.003,51 5.247,52 3.964,53 4.127,54 5.95,55 4.031,56 0.189,57 0.894,58 12.784,59 4.687,60 19.748,61 6.664,62 0.323,63 1.386,64 24.179,65 7.835,66 34.585,67 11.55,68 0.662,69 1.584,70 32.423,71 10.069,72 65.938,73 14.886,74 0.765,75 1.589,76 35.185,77 10.417,78 55.895,79 15.813,80 0.445,81 1.531,82 28.462,83 8.521,84 37.944,85 12.822,86 0.584,87 1.685,88 31.229,89 8.874,90 54.292,91 13.487,92 0.88,93 1.752,94 35.761,95 9.718,96 75.414,97 15.157,98 0.601,99 1.588,100 34.2,101 10.099,102 55.822,103 15.703,104 32,105 49,106 0.266,107 0.622,108 0.791,109 0.852,110 0.852,111 0.852,112 3.473,113 0.921,114 -3.08,115 -3.08,116 -2.96,118 36.2,119 3,120 2,121 1,124 4,128 1,137 2,140 1,141 1,142 3,143 1,148 1,154 1,156 1,157 1,158 1,159 2,163 3,166 2,167 3,169 1,170 1,172 5,173 4,176 5,177 3,179 2,180 2,182 2,184 2,187 6,188 4,190 2,191 3,200 8,203 1,212 2,213 10,216 1,218 1,221 1,223 1,224 4,225 8,227 2,228 5,230 1,233 3,235 1,237 6,240 2,242 1,245 3,247 1,249 5,252 1,254 4,257 5,259 1,260 1787,261 20.731,262 20.731,263 20.731,264 20.731,265 20.731,266 18.794,267 25.311,268 12.073,269 21.286,270 16.736,271 16.736,272 16.736,273 16.736,274 16.736,275 13.57,276 27.057,277 5.647,278 17.635,279 4.225,280 2.041,281 1.001,282 0.625,283 0.625,284 0.625,285 4.164,288 1,289 1,290 676,291 3.937,293 141.873,294 187.538,297 126.052,301 1.652,302 32.754,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 68.5,314 317,315 4.798,316 3.811,317 7.083,318 4.315,319 3.37,320 4.775,321 1.128,322 12.281,323 3.185,324 4.364,325 3.464,326 6.46,327 4.058,328 3.102,329 3.942,330 0.86,331 9.999,332 2.955,333 4.241,334 3.006,335 6.393,336 3.848,337 2.891,338 3.524,339 0.4,340 9.889,341 2.763,342 3.796,343 2.831,344 5.85,345 3.508,346 2.535,347 3.119,349 7.957,350 2.469,351 3.642,352 2.616,353 5.514,354 3.348,355 2.4,356 3.014,358 7.081,359 2.27,360 3.473,361 2.424,362 5.323,363 3.15,364 2.221,365 2.501,367 6.73,368 2.054,369 3.18,370 1.8,371 4.729,372 2.522,373 1.582,374 2.184,376 4.632,377 1.483,378 2.925,379 1.667,380 4.506,381 2.44,382 1.492,383 1.878,385 4.115,386 1.414,387 2.667,388 1.607,389 3.844,390 2.384,391 1.445,392 1.587,394 3.15,395 1.352,396 2.561,397 1.211,398 3.638,399 2.103,400 1.134,401 1.524,403 2.619,404 1.097,405 2.498,406 1.181,407 3.43,408 1.956,409 1,410 1.369,411 2.136,412 0.954,413 2.236,414 1.129,415 3.384,416 1.819,417 0.875,418 1.081,419 2.125,420 0.822,421 2,422 0.977,423 3.247,424 1.698,425 0.783,426 1,427 1.964,428 0.712,429 1.813,430 0.73,431 3.211,432 1.53,433 0.591,434 0.711,435 1.335,436 0.552,437 1.537,438 0.431,439 2.957,440 1.228,441 0.278,442 0.336,443 0.483,444 0.263,445 14.3,446 0.461,447 0.888,448 0.029,449 36.25,450 1.169,451 15,452 0.484,453 21.25,454 0.685,455 31.557,456 1.018,457 34.9,458 0.602,459 28.911,460 0.933,461 6.695,462 0.216,463 8.176,464 0.264,465 0.156,466 0.035,467 0.308,471 0.839,472 1.432,473 0.814,474 1.172,475 0.971,476 1.013,477 0.904,478 1.199,479 0.755,480 1.029,481 0.624,482 0.883,483 0.947,484 1.035,485 0.929,486 1.028,487 1.036,488 0.994,489 0.795,490 0.84,491 0.761,492 0.834,493 0.583,494 0.804,495 1.139,496 1.2,497 0.918,498 1.016,499 0.828,500 0.931,501 1.25,502 1.27,503 1.127,504 1.136,505 1.017,506 1.104,507 0.986,508 1.047,509 1.122,510 1.071,511 1.016,512 1.103,513 0.892,514 1.073,515 1.091,516 1.124,517 0.769,518 1.13,519 6.5,520 0.203,521 3.556,522 2.104,523 2.016,524 1.49,525 0.848,526 0.794,527 0.454,528 0.316,529 11698,530 30519,531 2.057,532 46.6,533 2,534 8,536 1,537 4,539 11,540 1,542 1.746,543 1.908,544 3.3,545 1.664,547 1,550 94.736,551 1.633,552 3.817,553 4.857,554 5.233,555 5.233,556 5.233,557 2.777,558 4.518,559 4.918,560 3.515,561 1634.28,562 8.647,563 22872.1,565 1,567 1,568 339.763,569 1.595,570 4.87,571 0.191,572 0.007,573 0.073,574 0.044,575 0.041,576 0.029,577 0.016,578 0.016,579 0.012,580 0.009,581 0.438,582 0.17,583 1,584 1.159,585 158.544,586 0.056,587 -0.13,588 0.055,589 -0.023,590 -0.074,591 0.009,592 0.004,593 -0.055,594 0.172,595 0.033,596 0.191,597 0.121,598 0.065,599 0.007,600 0.034,601 -0.003,602 0.035,603 -0.002,604 0.18,605 0.14,606 0.225,607 0.156,608 0.117,609 0.187,610 -0.122,611 -0.085,612 0.029,613 0.02,614 -0.024,615 0.054,616 -0.16,617 -0.122,618 -0.176,619 -0.128,620 -0.07,621 -0.149,622 0.063,623 0.048,624 -0.151,625 -0.11,626 -0.024,627 -0.16,628 -0.042,629 -0.051,630 -0.136,631 -0.123,633 -0.136,634 2.409,635 4.022,636 0.645,637 33.205,638 1.009,639 1.143,640 1.85,641 3.424,642 0.638,643 3.555,644 3.912,645 4.174,646 4.489,647 4.736,648 4.913,649 5.1,650 5.288,651 5.38,652 5.398,653 6.431,654 0.613,655 425.55,656 3.555,657 5.118,658 5.974,659 6.878,660 7.763,661 8.677,662 9.577,663 10.498,664 11.409,665 12.334,666 12.1,668 1,670 1,674 1,676 4,680 2,681 1,682 4,684 1,686 5,687 1,688 15,698 1,703 1,705 58,706 16,708 34,710 61,711 21,712 8,717 4,718 5,721 3,724 2,725 1,727 2,728 2,729 8,730 11,731 2,744 1,747 27,748 9,749 4,750 10,753 1,755 7,760 0.75,761 3,764 1,773 1,778 2,779 2,782 1,786 2,799 1,801 1,803 3,807 3,811 31,812 1,816 1,817 6,818 1,819 1,821 1,823 1,825 1,831 2,833 5.2,834 1,838 2,841 16.25,842 11.283,843 6.736,844 3.675,847 3.184,848 1.408,849 0.93,850 6.263,851 10.987,852 3.795,853 4.413,854 5.069,855 5.726,856 6.276,857 6.815,858 7.342,859 7.822,860 8.162,861 8.432,862 0.857,863 48,864 11.447,865 4.883,866 7.75,867 21.801,868 17.87,869 2.25,870 69.75,874 270.735,875 105.264,876 125.571,878 63.644,881 105.264,882 334.379,883 125.571,884 26.476,885 15.979,886 93.591,887 86.863,888 44.808,889 38.533,890 258.964,892 270.735,893 230.835,894 63.644,897 129.482,898 162.214,899 42.683,900 81.397,901 42.613,902 106.825,904 270.735,905 189.215,906 105.264,909 270.735,910 35.68,911 37.422,912 52.072,913 169.306,914 270.735,915 189.215,916 105.264,918 0.586,919 0.328,920 0.182,921 0.103,922 24,923 11,924 0.082,925 5,926 1,927 1.1,928 4.078,929 290.216,930 0.1,931 20,932 151.58,936 21.728,937 8.935,938 4.73,939 1.3,940 187.316,941 1.662,942 16.786,944 4.782,946 2.053,947 1.941,948 93.591,949 565.215,950 43.5,960 58.531,961 66.268,962 0.279,963 0.652,964 0.829,965 0.893,966 0.893,967 0.893,968 5.074,969 1.492,970 5.999,971 4.632,972 4.595,973 5.1,974 1.676,975 6.868,976 4.491,977 6.315,978 1.445,979 7.595,980 4.115,981 4.369,982 5.027,984 8.034,985 4.218,986 7.657,987 1.134,988 9.3,989 3.15,990 6.282,991 7.382,992 1.684,993 11.079,994 6.08,995 9.04,996 1,997 11.068,998 2.619,999 6.868,1000 8.191,1002 13.036,1003 6.613,1004 10.457,1005 0.875,1006 12.876,1007 2.136,1008 8.291,1009 10.027,1010 1.782,1011 15.672,1012 7.987,1013 11.9,1014 0.783,1015 14.71,1016 2.125,1017 9.213,1018 11.239,1020 17.931,1021 8.853,1022 13.361,1023 0.591,1024 16.563,1025 1.964,1026 10.467,1027 12.882,1028 1.924,1029 20.451,1030 10.057,1031 3.37,1032 0.278,1033 18.43,1034 1.335,1035 11.534,1036 14.281,1038 22.837,1039 11.067,1040 3.102,1041 12.281,1042 20.309,1043 0.483,1044 12.732,1045 15.857,1046 2.095,1047 25.327,1048 12.212,1049 2.891,1050 9.999,1051 22.196,1052 4.775,1053 13.863,1054 17.342,1056 27.77,1057 13.285,1058 2.535,1059 9.889,1060 24.092,1061 3.942,1062 15.046,1063 18.898,1064 2.286,1065 30.256,1066 14.414,1067 2.4,1068 7.957,1069 25.993,1070 3.524,1071 16.207,1072 20.421,1074 32.728,1075 15.517,1076 2.221,1077 7.081,1078 27.901,1079 3.119,1080 17.389,1081 21.974,1082 2.49,1083 35.217,1084 16.643,1085 1.582,1086 6.73,1087 29.813,1088 3.014,1089 18.566,1090 23.515,1092 37.703,1093 17.762,1094 11343,1095 18582,1096 22.364,1097 37.017,1098 53.082,1099 52.007,1100 52.67,1101 51.404,1102 51.398,1103 65.09,1104 4.776,1105 152.991,1106 48.685,1107 5.798,1108 5.811,1109 6.885,1110 5.397,1111 5.37,1112 7.775,1113 2.256,1114 19.91,1115 5.139,1116 16.436,1117 1.561,1118 1.53,1119 1.549,1120 1.512,1121 1.512,1122 1.914,1123 0.14,1124 4.5,1125 1.432,1126 4.147,1127 4.185,1128 4.134,1129 3.996,1130 6.453,1131 4.026,1132 3.852,1133 3.916,1134 3.77,1135 3.704,1136 5.437,1137 3.698,1138 3.778,1139 3.815,1140 3.71,1141 3.599,1142 5.091,1143 3.616,1144 3.687,1145 3.728,1146 3.603,1147 3.485,1148 4.85,1149 3.523,1150 3.478,1151 3.554,1152 3.347,1153 3.273,1154 4.626,1155 3.273,1156 3.316,1157 3.378,1158 3.175,1159 3.118,1160 4.557,1161 3.117,1162 3.126,1163 3.209,1164 2.986,1165 2.945,1166 4.362,1167 2.933,1168 3.058,1169 3.154,1170 2.921,1171 2.89,1172 4.195,1173 2.913,1174 0.141,1175 0.112,1176 0.208,1177 0.127,1178 0.099,1179 4.798,1180 0.14,1181 3.811,1182 0.033,1183 7.083,1184 0.361,1185 4.315,1186 0.094,1187 3.37,1188 4.775,1189 1.128,1190 12.281,1191 3.185,1192 1.902,1193 1.876,1194 2.058,1195 2.053,1196 1.422,1197 2.049,1198 1.824,1199 1.767,1200 1.955,1201 1.991,1202 1.146,1203 1.991,1204 1.687,1205 1.642,1206 1.883,1207 1.872,1208 1.001,1209 1.871,1210 1.598,1211 1.55,1212 1.774,1213 1.793,1214 0.927,1215 1.789,1216 1.385,1217 1.313,1218 1.588,1219 1.624,1220 0.871,1221 1.618,1222 1.289,1223 1.223,1224 1.551,1225 1.527,1226 0.599,1227 1.54,1228 1.093,1229 1.035,1230 1.417,1231 1.477,1232 0.592,1233 1.392,1234 1.021,1235 0.918,1236 1.384,1237 1.328,1238 0.469,1239 1.357,1240 4.234,1242 5.58,1243 3.045,1244 7.107,1245 5.416,1246 8.722,1247 7.545,1248 10.389,1250 5.223,1254 5.931,1255 10.022,1256 5.417,1257 3.405,1258 6.211,1260 0.436,1262 -1.159,1266 5.742,1267 35.562,1268 94.736,1269 221.391,1270 281.724,1271 303.498,1272 303.498,1273 303.498,1274 59.71,1275 7.803,1276 137.14,1277 137.14,1278 22,1279 12.842,1280 4.087,1281 3.392,1282 48.939,1283 113,1284 135,1285 0.205,1286 218.766,1287 371.97,1288 525.548,1289 24280,1291 22.01,1292 0.71,1293 0.58,1294 22.01,1295 17.974,1296 14.87,1297 0.437,1298 0.307,1299 10.248,1300 14.082,1301 9.958,1302 8.295,1303 14.87,1304 10.438,1305 14.063,1306 0.287,1307 0.167,1308 14.063,1309 8.178,1310 11.026,1311 0.172,1312 0.08,1313 11.026,1314 5.138,1315 9.406,1316 0.107,1317 0.041,1318 9.406,1319 3.636,1320 7.65,1321 0.068,1322 0.022,1323 7.65,1324 2.502,1325 0.313,1326 94.727,1327 0.211,1328 28.671,1329 0.594,1330 166,1331 505.491,1332 187.734,1333 484.063,1334 670.27,1335 452,1336 196,1337 521.033,1338 219.956,1339 517.907,1340 756.84,1341 485,1342 5}
{0 CHEMBL495727,1 1.625,2 12.179,3 1.51,4 2.281,5 104.381,6 7.48,7 0.469,8 4.072,9 4.208,10 3.651,11 3.528,12 5.115,13 3.537,14 4.619,15 4.806,16 3.965,17 3.898,18 5.657,19 3.877,20 4.804,21 5.037,22 3.916,23 3.979,24 5.762,25 3.914,26 4.812,27 5.062,28 3.922,29 3.955,30 5.778,31 3.886,32 4.767,33 5.011,34 3.866,35 3.895,36 5.833,37 3.84,38 4.655,39 4.878,40 3.833,41 3.893,42 5.673,43 3.82,44 4.676,45 4.912,46 3.769,47 3.819,48 5.635,49 3.759,50 4.578,51 4.839,52 3.545,53 3.639,54 5.522,55 3.561,56 0.1,57 0.843,58 10.93,59 3.981,60 7.717,61 5.677,62 0.399,63 1.279,64 21.254,65 6.483,66 28.448,67 9.679,68 0.549,69 1.394,70 27.534,71 8.146,72 40.386,73 12.272,74 0.398,75 1.38,76 27.905,77 8.48,78 34.09,79 13.108,80 0.626,81 1.288,82 27.374,83 7.426,84 59.003,85 11.367,86 0.374,87 1.244,88 22.823,89 7.749,90 37.933,91 11.534,92 0.343,93 1.215,94 24.028,95 6.65,96 30.945,97 10.526,98 0.426,99 1.044,100 22.585,101 5.564,102 33.873,103 9.207,104 2,105 45,106 0.271,107 0.668,108 0.827,109 0.842,110 0.842,111 0.842,112 3.375,113 0.905,114 -2.28,115 -2.32,116 -2.28,118 37.3,120 2,124 5,126 1,138 3,139 1,140 1,142 2,147 1,148 1,152 1,154 1,161 1,163 4,167 2,170 3,171 1,172 3,173 2,176 2,177 4,180 2,181 1,182 2,184 1,188 4,191 2,192 2,193 3,199 2,200 3,203 2,204 1,212 1,213 4,216 3,217 1,218 4,225 3,230 6,236 2,237 4,242 4,249 2,252 3,254 2,260 1268,261 19.411,262 19.411,263 19.411,264 19.411,265 19.411,266 17.588,267 22.726,268 11.545,269 19.94,270 15.886,271 15.886,272 15.886,273 15.886,274 15.886,275 13.026,276 33.1,277 5.59,278 16.726,279 4.047,280 1.674,281 0.721,282 0.627,283 0.627,284 0.627,285 4.079,287 1,288 1,289 1,290 768,291 3.162,292 52.648,293 137.319,294 165.835,297 110.073,301 2.061,302 24.839,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 61.5,314 341,315 4.562,316 3.574,317 6.574,318 4.099,319 3.143,320 4.48,321 1.656,322 10.495,323 3.003,324 4.249,325 3.156,326 6.171,327 3.83,328 2.859,329 3.913,330 0.916,331 9.186,332 2.773,333 3.82,334 3.011,335 5.604,336 3.68,337 2.708,338 3.14,339 0.86,340 7.726,341 2.628,342 3.743,343 2.791,344 5.545,345 3.512,346 2.577,347 2.916,348 0.247,349 7.569,350 2.413,351 3.428,352 2.663,353 5.215,354 3.18,355 2.216,356 2.55,357 0.172,358 6.394,359 2.127,360 3.337,361 2.418,362 4.99,363 3.048,364 2.072,365 2.411,367 5.884,368 2.005,369 3.148,370 2.056,371 4.72,372 2.714,373 1.751,374 2.347,376 5.016,377 1.679,378 3.008,379 1.87,380 4.409,381 2.483,382 1.519,383 2.239,385 4.293,386 1.462,387 2.57,388 1.522,389 3.87,390 2.272,391 1.411,392 1.584,394 3.042,395 1.206,396 2.447,397 1.304,398 3.592,399 2.104,400 1.145,401 1.446,403 2.81,404 1.094,405 2.268,406 1.256,407 3.415,408 1.952,409 1,410 1.158,411 2.136,412 0.946,413 2,414 0.807,415 3.247,416 1.715,417 0.786,418 1,419 2.06,420 0.729,421 1.945,422 0.788,423 3.176,424 1.44,425 0.49,426 0.699,427 1.25,428 0.464,429 1.326,430 0.586,431 2.981,432 1.184,433 0.228,434 0.24,435 0.577,436 0.216,437 1.154,438 0.261,439 2.847,440 0.894,441 -0.045,442 -0.052,443 -0.124,444 -0.042,445 12.967,446 0.463,447 0.602,448 0.021,449 34,450 1.214,451 14,452 0.5,453 20,454 0.714,455 22.809,456 0.815,457 30.833,458 0.605,459 24.325,460 0.869,461 6.644,462 0.237,463 7.098,464 0.253,465 0.026,467 0.339,471 0.884,472 1.461,473 0.778,474 1.143,475 0.602,476 0.96,477 1.041,478 1.27,479 0.963,480 1.072,481 0.623,482 1.015,483 1.036,484 0.949,485 1.024,486 0.946,487 0.959,488 0.98,489 0.747,490 1.09,491 0.835,492 1.049,493 0.901,494 0.968,495 1.183,496 0.821,497 0.99,498 0.78,499 1.523,500 0.841,501 0.612,502 1.102,503 0.905,504 1.138,505 0.676,506 1.087,507 1.118,508 1.263,509 1.047,510 1.11,511 0.994,512 1.063,513 1.097,514 1.034,515 1.135,516 0.998,517 0.843,518 1.04,519 5.5,520 0.051,521 2.278,522 1.694,523 1.184,524 0.754,525 0.408,526 0.391,527 0.159,528 0.195,529 11473,530 27743,531 2.223,532 45.1,534 14,535 1,537 4,539 4,542 1.708,543 2.154,544 3.567,545 1.733,546 1,547 1,550 82.89,551 1.625,552 3.999,553 4.952,554 5.045,555 5.045,556 5.045,557 3.084,558 4.28,559 4.773,560 3.739,561 1413.17,562 8.292,563 18955.2,565 1,567 1,568 289.294,569 1.108,570 4.769,571 0.172,572 0.003,573 0.054,574 0.043,575 0.03,576 0.02,577 0.011,578 0.012,579 0.006,580 0.009,581 0.361,582 0.17,583 0.88,584 0.343,585 142.018,586 -0.061,587 -0.169,588 0.064,589 -0.048,590 -0.006,591 0.022,592 -0.012,593 -0.127,594 -0.038,595 -0.062,596 0.092,597 -0.062,598 -0.048,599 0.081,600 -0.059,601 0.036,602 -0.056,603 -0.011,604 0.078,605 -0.099,606 0.129,607 -0.055,608 0.065,609 0.03,610 -0.053,611 0.171,612 0.01,613 0.168,614 -0.069,615 0.108,616 0.16,617 -0.048,618 0.019,619 -0.096,620 0.121,621 -0.074,622 -0.164,623 -0.238,624 -0.082,625 -0.138,626 -0.13,627 -0.098,628 -0.123,629 -0.032,630 -0.142,631 -0.089,632 -0.051,633 -0.105,634 1.881,635 5.042,636 0.821,637 31.204,638 1.009,639 1.142,640 1.051,641 1.104,642 0.648,643 3.497,644 3.829,645 4.06,646 4.357,647 4.533,648 4.644,649 4.836,650 5.017,651 5.1,652 5.187,653 7.072,654 0.623,655 381.49,656 3.497,657 5.043,658 5.9,659 6.783,660 7.654,661 8.542,662 9.42,663 10.312,664 11.195,665 12.089,666 13.7,669 1,673 2,674 2,676 2,680 2,681 4,682 2,683 2,686 4,688 15,705 51,706 16,707 1,708 32,710 55,711 19,712 10,713 3,714 3,717 5,718 6,720 1,724 3,727 3,729 11,730 8,733 1,737 1,740 1,743 1,744 1,747 23,748 7,749 4,750 9,753 1,755 7,760 0.8,761 2,771 1,777 1,778 2,779 2,782 1,800 1,802 1,803 4,811 28,817 7,818 2,819 1,821 1,822 1,833 3.9,836 1,837 1,841 13,842 8.85,843 6,844 3.111,847 3.111,848 1.393,849 1.033,850 4.864,851 11.026,852 3.726,853 4.311,854 4.866,855 5.504,856 5.971,857 6.43,858 6.921,859 7.393,860 7.666,861 7.975,862 1,863 39,864 10.371,865 4.518,866 7.643,867 20.136,868 17.134,869 2.143,870 60,874 223.651,875 77.638,876 106.043,878 36.145,881 77.638,882 259.796,883 106.043,885 56.592,886 37.476,887 71.921,888 47.416,889 18.191,890 211.88,892 223.651,893 183.681,894 36.145,897 176.567,898 72.229,899 11,900 100.394,901 49.838,902 33.449,904 223.651,905 142.188,906 77.638,909 223.651,910 40.162,911 40.6,912 69.47,913 69.593,914 223.651,915 142.188,916 77.638,918 0.581,919 0.317,920 0.177,921 0.092,922 24,923 9,924 0.091,925 5,926 1,927 1.087,928 4.235,929 246.428,930 0.087,931 23,932 128.606,936 17.825,937 7.641,938 4.282,939 1.828,940 108.739,941 7.928,942 8.959,943 6.107,946 3.042,948 69.47,949 443.477,950 40.5,954 12.042,957 -0.214,960 51.436,961 58.229,962 0.287,963 0.705,964 0.873,965 0.889,966 0.889,967 0.889,968 4.975,969 1.519,970 5.872,971 5.016,972 4.511,973 4.997,974 2.173,975 6.666,976 4.416,977 6.169,978 1.411,979 7.413,980 4.293,981 4.111,982 4.832,983 1.305,984 7.526,985 4.009,986 7.471,987 1.145,988 9.05,989 3.042,990 6.103,991 7.18,992 2.583,993 10.589,994 5.924,995 8.807,996 1,997 10.743,998 2.81,999 6.494,1000 7.883,1001 2.37,1002 12.266,1003 6.303,1004 10.175,1005 0.786,1006 12.473,1007 2.136,1008 7.962,1009 9.711,1010 3.301,1011 14.847,1012 7.706,1013 11.567,1014 0.49,1015 14.228,1016 2.06,1017 8.719,1018 10.827,1019 3.422,1020 16.877,1021 8.441,1022 12.978,1023 0.228,1024 16.003,1025 1.25,1026 9.973,1027 12.448,1028 4.173,1029 19.291,1030 9.639,1031 3.143,1032 -0.045,1033 17.793,1034 0.577,1035 10.91,1036 13.763,1037 4.469,1038 21.483,1039 10.545,1040 2.859,1041 10.495,1042 19.594,1043 -0.124,1044 12.074,1045 15.299,1046 5.117,1047 23.839,1048 11.66,1049 2.708,1050 9.186,1051 21.406,1052 4.48,1053 13.1,1054 16.705,1055 5.505,1056 26.106,1057 12.648,1058 2.577,1059 7.726,1060 23.226,1061 3.913,1062 14.229,1063 18.209,1064 6.092,1065 28.445,1066 13.731,1067 2.216,1068 7.569,1069 25.053,1070 3.14,1071 15.301,1072 19.659,1073 6.531,1074 30.748,1075 14.761,1076 2.072,1077 6.394,1078 26.887,1079 2.916,1080 16.419,1081 21.151,1082 7.084,1083 33.083,1084 15.834,1085 1.751,1086 5.884,1087 28.725,1088 2.55,1089 17.515,1090 22.621,1091 7.551,1092 35.404,1093 16.886,1094 10431,1095 16382,1096 22.364,1097 33.04,1098 48.266,1099 49.003,1100 48.34,1101 47.743,1102 47.81,1103 60.249,1104 7.704,1105 136.875,1106 45.496,1107 5.562,1108 5.574,1109 6.376,1110 5.202,1111 5.143,1112 7.48,1113 2.912,1114 17.516,1115 5.003,1116 6.887,1117 1.508,1118 1.531,1119 1.511,1120 1.492,1121 1.494,1122 1.883,1123 0.241,1124 4.277,1125 1.422,1126 4.138,1127 4.183,1128 4.106,1129 4.011,1130 7.431,1131 4.028,1132 3.913,1133 3.971,1134 3.844,1135 3.765,1136 5.127,1137 3.767,1138 3.85,1139 3.911,1140 3.754,1141 3.682,1142 4.899,1143 3.701,1144 3.768,1145 3.83,1146 3.658,1147 3.549,1148 4.627,1149 3.566,1150 3.403,1151 3.46,1152 3.319,1153 3.212,1154 4.357,1155 3.232,1156 3.315,1157 3.371,1158 3.246,1159 2.974,1160 4.299,1161 3.041,1162 3.111,1163 3.206,1164 2.876,1165 2.941,1166 3.906,1167 2.91,1168 3.009,1169 3.08,1170 2.866,1171 2.833,1172 3.893,1173 2.831,1174 0.143,1175 0.112,1176 0.205,1177 0.128,1178 0.098,1179 4.562,1180 0.14,1181 3.574,1182 0.052,1183 6.574,1184 0.328,1185 4.099,1186 0.094,1187 3.143,1188 4.48,1189 1.656,1190 10.495,1191 3.003,1192 1.944,1193 1.915,1194 2.046,1195 2.056,1196 1.274,1197 2.055,1198 1.69,1199 1.632,1200 1.897,1201 1.921,1202 1.113,1203 1.916,1204 1.623,1205 1.582,1206 1.7,1207 1.836,1208 0.836,1209 1.797,1210 1.409,1211 1.338,1212 1.543,1213 1.73,1214 0.825,1215 1.677,1216 1.299,1217 1.22,1218 1.513,1219 1.611,1220 0.825,1221 1.579,1222 1.172,1223 1.111,1224 1.513,1225 1.409,1226 0.771,1227 1.429,1228 1.153,1229 1.064,1230 1.5,1231 1.376,1232 0.652,1233 1.429,1234 1.153,1235 1.064,1236 1.397,1237 1.376,1238 0.418,1239 1.409,1240 4.174,1241 1.946,1242 5.501,1243 4.111,1244 7.006,1245 6.075,1246 8.591,1247 7.962,1248 10.218,1256 6.461,1257 5.756,1258 5.412,1260 0.298,1261 2.381,1267 31.794,1268 82.89,1269 203.935,1270 252.539,1271 257.294,1272 257.294,1273 257.294,1274 37.686,1275 7.915,1276 110.96,1277 110.96,1278 25,1279 12.617,1280 4.087,1281 3.248,1282 37.777,1283 118,1284 116,1285 0.155,1286 191.119,1287 318.86,1288 458.09,1289 32487,1291 18.924,1292 0.676,1293 0.553,1294 18.924,1295 15.495,1296 13.742,1297 0.429,1298 0.302,1299 9.465,1300 13.042,1301 9.352,1302 7.649,1303 13.742,1304 9.649,1305 12.545,1306 0.279,1307 0.163,1308 12.545,1309 7.346,1310 10.023,1311 0.176,1312 0.084,1313 10.023,1314 4.794,1315 8.751,1316 0.114,1317 0.043,1318 8.751,1319 3.333,1320 6.743,1321 0.073,1322 0.024,1323 6.743,1324 2.169,1325 0.246,1326 87.231,1327 0.211,1328 27.116,1329 0.416,1330 154,1331 439.738,1332 172.72,1333 419.724,1334 581.08,1335 396,1336 182,1337 434.851,1338 201.472,1339 435.68,1340 641.79,1341 411,1342 9}
{0 CHEMBL509032,1 1.669,2 16.976,3 5.342,4 28.539,5 170.073,6 7.491,7 0.391,8 4.496,9 4.621,10 4.163,11 4.017,12 5.479,13 3.968,14 5.087,15 5.281,16 4.512,17 4.43,18 6.136,19 4.363,20 5.368,21 5.577,22 4.642,23 4.636,24 6.374,25 4.539,26 5.512,27 5.748,28 4.531,29 4.679,30 6.503,31 4.55,32 5.508,33 5.768,34 4.534,35 4.659,36 6.41,37 4.527,38 5.461,39 5.721,40 4.567,41 4.606,42 6.38,43 4.475,44 5.352,45 5.6,46 4.534,47 4.505,48 6.362,49 4.394,50 5.262,51 5.504,52 4.401,53 4.44,54 6.273,55 4.314,56 0.076,57 1.264,58 20.736,59 7.815,60 18.574,61 10.317,62 0.513,63 2.034,64 39.117,65 12.934,66 65.567,67 17.58,68 0.659,69 2.533,70 58.987,71 17.554,72 70.348,73 23.955,74 0.886,75 2.662,76 63.492,77 20.784,78 112.54,79 28.418,80 0.721,81 2.642,82 62.501,83 20.106,84 86.361,85 29.046,86 0.73,87 2.492,88 65.052,89 18.696,90 85.627,91 26.67,92 0.879,93 2.241,94 58.969,95 16.151,96 93.724,97 23.233,98 0.792,99 2.048,100 52.656,101 15.458,102 87.343,103 22.089,104 55,105 66,106 0.253,107 0.547,108 0.741,109 0.808,110 0.836,111 0.836,112 3.765,113 1.065,114 -4.41,115 -4.34,116 -4.09,118 36.6,119 2,120 2,123 2,124 6,126 2,138 7,140 6,141 1,143 1,146 1,163 4,166 2,167 7,170 3,172 2,173 5,176 1,177 10,180 1,182 5,184 2,187 2,188 8,191 3,192 1,193 1,195 6,199 2,200 10,203 1,205 3,208 7,212 2,213 6,218 2,221 4,224 3,225 7,228 1,230 6,233 2,236 3,237 2,240 2,242 1,245 5,249 9,252 2,254 2,257 4,260 3848,261 28.021,262 28.021,263 28.021,264 28.021,265 28.021,266 25.553,267 45.937,268 16.129,269 29.213,270 22.581,271 22.581,272 22.581,273 22.581,274 22.581,275 18.7,276 76.143,277 7.52,278 24.496,279 4.689,280 2.745,281 1.469,282 1.022,283 0.842,284 0.842,285 4.464,286 1,289 1,290 1538,291 4.243,294 778.263,301 2.931,302 44.704,305 0.75,306 0.67,307 0.67,308 0.9,309 1,310 0.83,311 1,312 0.83,313 90.833,314 713,315 4.948,316 5.35,317 7.68,318 4.389,319 3.523,320 4.789,321 2.95,322 13.626,323 3.028,324 4.34,325 3.27,326 6.301,327 3.966,328 3.018,329 3.977,330 0.86,331 9.609,332 2.863,333 4.239,334 3.232,335 6.164,336 3.829,337 2.907,338 3.87,339 0.8,340 9.113,341 2.7,342 3.922,343 3.133,344 6.138,345 3.769,346 2.841,347 3.433,348 0.8,349 9.005,350 2.586,351 3.88,352 3.094,353 5.981,354 3.543,355 2.615,356 3.101,357 0.8,358 8.504,359 2.424,360 3.756,361 2.924,362 5.874,363 3.411,364 2.465,365 2.851,366 0.4,367 7.768,368 2.305,369 3.463,370 2.614,371 5.212,372 3.223,373 2.296,374 2.752,375 0.4,376 6.436,377 2.127,378 3.309,379 2.467,380 5.046,381 3.031,382 2.135,383 2.321,385 6.101,386 1.895,387 2.967,388 2.295,389 4.709,390 2.617,391 1.668,392 2.145,394 4.617,395 1.576,396 2.889,397 1.895,398 4.528,399 2.527,400 1.599,401 2.025,403 4.233,404 1.47,405 2.81,406 1.815,407 4.327,408 2.455,409 1.52,410 1.9,411 4.038,412 1.408,413 2.785,414 1.717,415 4.172,416 2.429,417 1.46,418 1.846,419 3.542,420 1.401,421 2.715,422 1.428,423 4.155,424 2.239,425 1.3,426 1.794,427 3.533,428 1.197,429 2.435,430 1.378,431 3.754,432 2.186,433 1.238,434 1.349,435 3.032,436 1.169,437 2.323,438 1.146,439 3.551,440 2,441 1,442 1.316,443 2.419,444 1,445 20.348,446 0.484,447 1.194,448 0.028,449 51.5,450 1.226,451 23,452 0.548,453 28.5,454 0.679,455 45.665,456 1.087,457 47.452,458 0.579,459 44.618,460 1.062,461 9.545,462 0.227,463 10.605,464 0.253,465 0.166,466 0.041,467 0.305,471 0.715,472 1.607,473 0.776,474 1.256,475 0.66,476 1.061,477 0.977,478 1.07,479 0.824,480 0.885,481 0.601,482 0.869,483 0.988,484 1.186,485 1.113,486 1.204,487 0.84,488 1.053,489 1.096,490 1.009,491 0.933,492 0.996,493 1.404,494 1.041,495 0.776,496 1.001,497 0.727,498 0.895,499 0.812,500 0.931,501 0.974,502 1.007,503 0.825,504 0.845,505 0.689,506 0.909,507 1.007,508 0.941,509 0.953,510 0.9,511 0.699,512 0.91,513 0.875,514 1.033,515 1.015,516 0.956,517 0.757,518 1.004,519 10,520 0.347,521 6.222,522 2.75,523 2.471,524 1.722,525 1.336,526 0.8,527 0.542,528 0.401,529 32680,530 80267,531 2.054,532 48.8,534 27,536 1,537 2,539 6,540 4,542 1.808,543 1.902,544 3.996,545 0.173,550 136.829,551 1.669,552 3.612,553 4.889,554 5.336,555 5.516,556 5.516,557 3.529,558 4.916,559 5.362,560 4.222,561 3635.4,562 9.462,563 67680.4,568 521.319,569 1.583,570 5.308,571 0.217,572 0.007,573 0.094,574 0.038,575 0.038,576 0.026,577 0.022,578 0.014,579 0.01,580 0.008,581 0.475,582 0.17,583 0.63,584 0.897,585 244.023,586 0.037,587 -0.294,588 0.136,589 -0.099,590 -0.096,591 -0.016,592 0.038,593 0.104,594 0.086,595 0.124,596 0.203,597 0.103,598 -0.002,599 -0.058,600 -0.059,601 -0.116,602 0.097,603 -0.058,604 -0.025,605 -0.019,606 -0.056,607 -0.029,608 -0.052,609 -0.06,610 0.066,611 -0.036,612 0.1,613 0.034,614 0.034,615 0.057,616 -0.018,617 -0.03,618 0.112,619 0.078,620 0.039,621 0.061,622 0.07,623 0.054,624 0.088,625 0.038,626 0.122,627 0.055,628 0.121,629 -0.039,630 0.016,631 -0.012,632 0.092,633 -0.023,634 4.439,635 5.909,636 0.714,637 58.993,638 1.001,639 1.135,640 3.18,641 10.109,642 0.657,643 3.85,644 4.205,645 4.477,646 4.682,647 4.942,648 5.004,649 5.147,650 5.252,651 5.38,652 5.537,653 9.788,654 0.613,655 614.29,656 3.85,657 5.416,658 6.275,659 7.159,660 8.034,661 8.919,662 9.799,663 10.684,664 11.566,665 12.453,666 8.5,669 2,672 1,674 2,676 2,681 8,682 2,686 8,688 18,699 2,701 1,703 1,704 1,705 82,706 20,707 2,708 46,710 86,711 30,712 16,713 5,714 7,717 5,718 5,719 1,721 2,724 3,727 4,729 16,730 14,733 2,736 1,737 2,747 40,748 10,749 2,750 12,751 2,755 7,760 1,761 3,774 1,779 5,800 2,803 5,805 1,807 4,808 1,811 42,814 1,817 8,818 2,819 1,821 2,822 3,832 1,833 3.7,836 2,838 1,841 22.083,842 15.643,843 9.139,844 4.995,847 3.708,848 1.419,849 0.973,850 9.927,851 12.552,852 4.06,853 4.649,854 5.149,855 5.621,856 6.14,857 6.328,858 6.685,859 7.026,860 7.376,861 7.775,862 1,863 72,864 15.822,865 6.965,866 7.679,867 30.315,868 25.451,869 2.179,870 91.528,874 447.302,875 158.852,876 78.966,877 39.149,878 55.313,880 6.046,881 152.806,882 541.763,883 78.966,884 36.93,885 17.703,886 72.38,887 89.655,888 84.007,889 4.227,890 435.531,891 39.149,892 447.302,893 231.772,894 55.313,895 45.195,897 329.591,898 173.024,900 88.57,901 109.63,902 78.766,904 447.302,905 134.278,906 198.001,908 6.046,909 447.302,910 40.495,911 121.684,912 36.022,913 128.033,914 447.302,915 134.278,916 198.001,918 0.592,919 0.353,920 0.175,921 0.099,922 31,923 15,924 0.105,925 9,927 1,928 5.054,929 424.576,931 30,932 214.477,935 1,936 30.985,937 13.456,938 7.207,940 134.278,941 14.298,942 8.877,946 3.95,948 36.022,949 779.581,950 57,953 -3.522,954 25.817,960 82.116,961 93.039,962 0.262,963 0.568,964 0.769,965 0.839,966 0.868,967 0.868,968 5.335,969 2.135,970 6.293,971 6.436,972 4.89,973 5.338,974 3.153,975 7.146,976 4.731,977 6.548,978 1.668,979 7.892,980 6.101,981 4.635,982 5.352,983 0.766,984 8.31,985 4.315,986 7.883,987 1.599,988 9.603,989 4.617,990 6.564,991 7.565,992 5.044,993 11.371,994 6.218,995 9.259,996 1.52,997 11.384,998 4.233,999 7.124,1000 8.42,1001 0.653,1002 13.41,1003 6.59,1004 10.675,1005 1.46,1006 13.213,1007 4.038,1008 8.566,1009 10.183,1010 7.186,1011 16.09,1012 7.995,1013 12.119,1014 1.3,1015 15.079,1016 3.542,1017 9.485,1018 11.408,1019 0.482,1020 18.478,1021 8.723,1022 13.587,1023 1.238,1024 16.975,1025 3.533,1026 10.76,1027 13.019,1028 9.348,1029 21.081,1030 9.928,1031 3.523,1032 1,1033 18.894,1034 3.032,1035 11.842,1036 14.414,1037 0.337,1038 23.605,1039 10.829,1040 3.018,1041 13.626,1042 20.833,1043 2.419,1044 13.066,1045 15.975,1046 11.511,1047 26.201,1048 11.949,1049 2.907,1050 9.609,1051 22.789,1052 4.789,1053 14.225,1054 17.45,1055 0.229,1056 28.778,1057 12.934,1058 2.841,1059 9.113,1060 24.76,1061 3.977,1062 15.441,1063 18.998,1064 13.675,1065 31.38,1066 14.021,1067 2.615,1068 9.005,1069 26.742,1070 3.87,1071 16.639,1072 20.514,1073 0.153,1074 33.977,1075 15.05,1076 2.465,1077 8.504,1078 28.735,1079 3.433,1080 17.861,1081 22.061,1082 15.838,1083 36.584,1084 16.127,1085 2.296,1086 7.768,1087 30.736,1088 3.101,1089 19.08,1090 23.598,1091 0.1,1092 39.189,1093 17.179,1094 30869,1095 48895,1096 30.224,1097 53.853,1098 69.39,1099 71.442,1100 72.024,1101 69.358,1102 69.2,1103 85.338,1104 14.02,1105 204.493,1106 63.913,1107 5.948,1108 7.35,1109 7.359,1110 5.487,1111 5.523,1112 7.789,1113 5.9,1114 21.688,1115 5.028,1116 24.449,1117 1.508,1118 1.553,1119 1.566,1120 1.508,1121 1.504,1122 1.855,1123 0.305,1124 4.445,1125 1.389,1126 4.117,1127 4.11,1128 4.748,1129 4.123,1130 7.714,1131 4.025,1132 3.998,1133 4.03,1134 4.019,1135 3.883,1136 6.999,1137 3.887,1138 3.877,1139 3.934,1140 3.903,1141 3.712,1142 5.102,1143 3.72,1144 3.811,1145 3.853,1146 3.764,1147 3.684,1148 4.853,1149 3.678,1150 3.694,1151 3.742,1152 3.693,1153 3.599,1154 4.705,1155 3.577,1156 3.662,1157 3.709,1158 3.548,1159 3.496,1160 4.507,1161 3.496,1162 3.267,1163 3.344,1164 3.309,1165 3.078,1166 4.453,1167 3.029,1168 3.233,1169 3.295,1170 3.134,1171 3.009,1172 4.374,1173 3.021,1174 0.108,1175 0.116,1176 0.167,1177 0.095,1178 0.077,1179 4.948,1180 0.104,1181 5.35,1182 0.064,1183 7.68,1184 0.296,1185 4.389,1186 0.066,1187 3.523,1188 4.789,1189 2.95,1190 13.626,1191 3.028,1192 1.997,1193 2.011,1194 2.085,1195 2.098,1196 1.446,1197 2.104,1198 1.936,1199 1.899,1200 2.002,1201 2.064,1202 1.331,1203 2.095,1204 1.829,1205 1.773,1206 1.976,1207 2.006,1208 1.24,1209 2.003,1210 1.726,1211 1.693,1212 1.884,1213 1.912,1214 1.068,1215 1.91,1216 1.666,1217 1.624,1218 1.868,1219 1.835,1220 1.021,1221 1.857,1222 1.64,1223 1.58,1224 1.727,1225 1.788,1226 0.825,1227 1.8,1228 1.209,1229 1.134,1230 1.571,1231 1.519,1232 0.825,1233 1.535,1234 1.173,1235 1.121,1236 1.54,1237 1.466,1238 0.757,1239 1.494,1240 4.533,1242 5.878,1244 7.421,1246 9.048,1248 10.715,1250 7.15,1251 6.41,1256 8.935,1257 6.322,1258 5.735,1260 0.081,1261 7.476,1267 50.264,1268 136.829,1269 296.196,1270 400.874,1271 437.545,1272 452.3,1273 452.3,1274 90.812,1275 8.844,1276 102.93,1277 111.31,1278 30,1279 12.985,1280 4.392,1281 3.585,1282 69.213,1283 249,1284 278,1285 0.133,1286 314.24,1287 546.39,1288 758.505,1289 110020,1290 1.2,1291 29.855,1292 0.711,1293 0.625,1294 30.605,1295 26.25,1296 20.15,1297 0.438,1298 0.355,1299 14.343,1300 18.193,1301 13.738,1302 11.384,1303 21.228,1304 16.329,1305 18.711,1306 0.284,1307 0.213,1308 20.467,1309 14.052,1310 15.981,1311 0.184,1312 0.122,1313 17.772,1314 10.614,1315 12.216,1316 0.114,1317 0.064,1318 13.266,1319 6.831,1320 10.358,1321 0.075,1322 0.036,1323 11.315,1324 4.956,1325 0.216,1326 137.605,1327 0.182,1328 37.898,1329 0.347,1330 224,1331 623.162,1332 300.72,1333 649.639,1334 880.16,1335 604,1336 265,1337 603.65,1338 345.555,1339 655.611,1340 958.46,1341 613,1342 7.638}
{0 CHEMBL513909,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,118 36.4,119 1,120 7,123 3,124 2,126 3,138 3,139 1,140 3,141 1,143 1,146 1,151 2,163 7,166 3,167 7,170 3,172 4,173 6,176 4,177 9,180 1,182 4,184 1,187 1,188 11,191 2,193 2,195 4,199 5,200 11,203 2,208 8,212 1,213 11,216 1,217 1,218 3,221 4,224 1,225 10,228 1,230 3,236 3,237 4,240 2,242 2,245 3,248 1,249 5,257 9,260 2746,261 25.825,262 25.825,263 25.825,264 25.825,265 25.825,266 24.229,267 41.796,268 14.896,269 26.489,270 20.56,271 20.56,272 20.56,273 20.56,274 20.56,275 17.857,276 69.22,277 6.879,278 21.543,279 4.742,280 2.765,281 1.313,282 0.792,283 0.792,284 0.792,285 4.37,289 1,290 1181,291 3.674,293 95.957,294 491.975,298 184.801,301 2.488,302 39.385,305 0.75,306 0.67,307 0.83,308 0.9,309 1,310 0.83,311 1,312 0.85,313 82.5,314 541,315 4.556,316 3.94,317 7.095,318 4.309,319 3.364,320 4.074,321 1.989,322 12.265,323 3.179,324 4.337,325 3.579,326 6.265,327 3.962,328 2.987,329 3.964,330 1.058,331 9.475,332 2.92,333 3.977,334 3.207,335 6.218,336 3.685,337 2.725,338 3.31,339 0.86,340 9.008,341 2.606,342 3.85,343 3.103,344 6.021,345 3.621,346 2.668,347 3.169,348 0.835,349 8.455,350 2.543,351 3.738,352 2.837,353 5.936,354 3.525,355 2.565,356 2.805,357 0.8,358 8.238,359 2.462,360 3.571,361 2.803,362 5.392,363 3.425,364 2.453,365 2.7,366 0.543,367 7.057,368 2.377,369 3.437,370 2.464,371 5.302,372 3.107,373 2.167,374 2.588,375 0.4,376 6.625,377 2.026,378 3.096,379 2.306,380 5.09,381 2.976,382 2.038,383 2.138,385 5.761,386 1.904,387 3.081,388 2.176,389 4.893,390 2.92,391 1.97,392 2.13,394 5.676,395 1.857,396 2.887,397 1.938,398 4.347,399 2.467,400 1.527,401 2.022,403 4.065,404 1.429,405 2.714,406 1.808,407 4.146,408 2.279,409 1.272,410 1.692,411 3.349,412 1.27,413 2.586,414 1.647,415 4.044,416 2.175,417 1.206,418 1.593,419 3.124,420 1.164,421 2.177,422 1.243,423 3.827,424 2.095,425 1.128,426 1.169,427 2.618,428 1.087,429 2,430 1.14,431 3.414,432 1.984,433 1,434 1,435 2.275,436 0.983,437 1.992,438 1.077,439 3.31,440 1.651,441 0.66,442 0.786,443 1.372,444 0.647,445 17.8,446 0.468,447 0.955,448 0.025,449 43.25,450 1.138,451 17,452 0.447,453 26.25,454 0.691,455 42.518,456 1.119,457 43.4,458 0.564,459 36.805,460 0.969,461 7.813,462 0.206,463 10.576,464 0.278,465 0.15,467 0.376,471 0.804,472 1.678,473 0.864,474 1.322,475 0.564,476 1.127,477 0.885,478 1.115,479 0.894,480 0.975,481 0.54,482 0.934,483 0.906,484 1.162,485 0.936,486 1.064,487 0.799,488 1.005,489 1.21,490 1.052,491 0.98,492 0.975,493 1.298,494 0.945,495 1.148,496 0.986,497 1.035,498 0.937,499 1.399,500 0.962,501 1.105,502 1.185,503 1.132,504 1.161,505 1.257,506 1.151,507 1.139,508 0.977,509 1.084,510 0.956,511 1.098,512 0.997,513 0.988,514 0.805,515 0.93,516 0.848,517 0.799,518 0.875,519 7.5,520 0.307,521 4.667,522 2.903,523 3.186,524 1.576,525 1.003,526 0.777,527 0.502,528 0.385,529 23285,530 50645,531 2.081,532 50.6,533 7,534 19,536 1,537 2,539 6,540 4,542 1.787,543 1.932,544 3.72,545 0.175,550 117.4,551 1.525,552 3.502,553 4.954,554 5.474,555 5.474,556 5.474,557 3.242,558 4.86,559 5.218,560 3.97,561 2790.61,562 9.189,563 46312.4,568 482.543,569 1.462,570 5.171,571 0.179,572 0.007,573 0.078,574 0.044,575 0.048,576 0.024,577 0.017,578 0.016,579 0.011,580 0.008,581 0.433,582 0.33,583 0.63,584 0.782,585 211.289,586 -0.021,587 -0.336,588 0.075,589 -0.128,590 0.001,591 -0.029,592 0.08,593 0.069,594 0.09,595 0.07,596 0.091,597 0.076,598 0.049,599 -0.064,600 0.047,601 -0.046,602 0.06,603 -0.006,604 -0.082,605 -0.016,606 0.025,607 0.01,608 -0.051,609 0.032,610 0.052,611 0.061,612 -0.02,613 0.043,614 -0.001,615 0.008,616 -0.073,617 -0.125,618 -0.144,619 -0.149,620 -0.099,621 -0.157,622 -0.1,623 0.002,624 -0.084,625 -0.009,626 -0.105,627 -0.036,628 0.041,629 0.15,630 0.066,631 0.117,632 0.027,633 0.099,634 1.764,635 6.135,636 0.711,637 45.526,638 0.998,639 1.14,640 2.823,641 7.97,642 0.631,643 3.761,644 4.111,645 4.431,646 4.718,647 4.984,648 5.106,649 5.242,650 5.366,651 5.481,652 5.568,653 8.367,654 0.594,655 521.74,656 3.761,657 5.323,658 6.196,659 7.093,660 7.985,661 8.888,662 9.788,663 10.694,664 11.599,665 12.508,666 9.1,669 1,672 1,673 2,674 1,676 2,681 4,682 2,686 6,688 12,694 1,699 1,701 1,703 1,705 77,706 14,707 1,708 42,710 81,711 28,712 10,713 3,714 3,715 1,717 5,718 6,721 1,724 9,727 10,729 12,730 16,733 2,737 2,740 2,747 39,748 10,749 2,750 10,755 7,760 0.8,761 3,774 1,778 1,779 4,783 1,791 1,800 1,803 4,807 4,811 38,817 9,818 2,819 1,821 3,822 3,833 3.9,836 2,838 1,841 19.667,842 14.833,843 8.417,844 5.044,847 2.423,848 1.283,849 0.96,850 8.292,851 10.981,852 3.932,853 4.454,854 4.98,855 5.488,856 6.014,857 6.284,858 6.639,859 6.973,860 7.322,861 7.645,862 1,863 66,864 14.194,865 6.108,866 7.64,867 27.632,868 23.323,869 2.14,870 81.333,874 435.531,875 123.509,876 78.966,878 61.29,881 123.509,882 496.821,883 78.966,884 36.501,885 43.088,886 28.429,887 105.041,888 58.249,889 4.227,890 423.76,892 435.531,893 202.475,894 61.29,897 317.82,898 179.001,900 83.995,901 84.909,902 33.571,904 435.531,905 140.255,906 123.509,909 435.531,910 49.532,911 83.35,912 36.022,913 94.861,914 435.531,915 140.255,916 123.509,918 0.584,919 0.359,920 0.198,921 0.11,922 29,923 14,924 0.086,925 7,926 1,927 1.074,928 4.677,929 384.045,930 0.074,931 27,932 191.421,936 27.013,937 11.665,938 5.602,940 140.255,941 7.073,942 9.424,946 3.695,948 36.022,949 699.295,950 50,954 26.043,957 -0.007,960 76.832,961 87.76,962 0.243,963 0.559,964 0.791,965 0.874,966 0.874,967 0.874,968 5.215,969 2.038,970 6.196,971 6.625,972 4.796,973 5.142,974 2.653,975 7.048,976 4.707,977 6.389,978 1.97,979 7.784,980 5.761,981 4.443,982 4.956,983 1.803,984 8.03,985 4.306,986 7.692,987 1.527,988 9.47,989 5.676,990 6.431,991 7.203,992 3.28,993 11.165,994 6.252,995 9.025,996 1.272,997 11.215,998 4.065,999 6.899,1000 7.827,1001 3.237,1002 12.979,1003 6.672,1004 10.392,1005 1.206,1006 12.998,1007 3.349,1008 8.353,1009 9.586,1010 4.354,1011 15.661,1012 8.083,1013 11.78,1014 1.128,1015 14.808,1016 3.124,1017 9.192,1018 10.576,1019 4.691,1020 17.843,1021 8.872,1022 13.187,1023 1,1024 16.638,1025 2.618,1026 10.452,1027 12.145,1028 5.607,1029 20.386,1030 10.085,1031 3.364,1032 0.66,1033 18.484,1034 2.275,1035 11.468,1036 13.319,1037 6.118,1038 22.741,1039 11.049,1040 2.987,1041 12.265,1042 20.344,1043 1.372,1044 12.661,1045 14.802,1046 6.929,1047 25.245,1048 12.192,1049 2.725,1050 9.475,1051 22.215,1052 4.074,1053 13.764,1054 16.073,1055 7.524,1056 27.68,1057 13.239,1058 2.668,1059 9.008,1060 24.096,1061 3.964,1062 14.941,1063 17.512,1064 8.278,1065 30.176,1066 14.362,1067 2.565,1068 8.455,1069 25.986,1070 3.31,1071 16.087,1072 18.837,1073 8.915,1074 32.648,1075 15.45,1076 2.453,1077 8.238,1078 27.884,1079 3.169,1080 17.265,1081 20.254,1082 9.639,1083 35.146,1084 16.572,1085 2.167,1086 7.057,1087 29.789,1088 2.805,1089 18.435,1090 21.608,1091 10.3,1092 37.636,1093 17.682,1094 21931,1095 32586,1096 27.857,1097 48.586,1098 63.096,1099 64.991,1100 66.159,1101 62.827,1102 62.777,1103 73.874,1104 12.968,1105 185.722,1106 60.058,1107 5.556,1108 5.94,1109 6.69,1110 5.394,1111 5.364,1112 7.074,1113 3.465,1114 20.265,1115 5.179,1116 20.817,1117 1.502,1118 1.547,1119 1.575,1120 1.496,1121 1.495,1122 1.759,1123 0.309,1124 4.422,1125 1.43,1126 4.048,1127 4.097,1128 4.002,1129 3.903,1130 7.43,1131 3.918,1132 3.938,1133 3.976,1134 3.886,1135 3.82,1136 7.426,1137 3.83,1138 3.845,1139 3.904,1140 3.73,1141 3.689,1142 5.01,1143 3.69,1144 3.784,1145 3.839,1146 3.665,1147 3.649,1148 4.81,1149 3.649,1150 3.596,1151 3.656,1152 3.507,1153 3.429,1154 4.401,1155 3.434,1156 3.42,1157 3.486,1158 3.332,1159 3.17,1160 4.365,1161 3.201,1162 3.337,1163 3.423,1164 3.181,1165 3.075,1166 4.311,1167 3.092,1168 3.241,1169 3.314,1170 3.054,1171 2.978,1172 4.132,1173 2.983,1174 0.108,1175 0.094,1176 0.169,1177 0.103,1178 0.08,1179 4.556,1180 0.097,1181 3.94,1182 0.047,1183 7.095,1184 0.292,1185 4.309,1186 0.076,1187 3.364,1188 4.074,1189 1.989,1190 12.265,1191 3.179,1192 1.925,1193 1.899,1194 2.051,1195 2.096,1196 1.4,1197 2.071,1198 1.871,1199 1.827,1200 2.004,1201 2.047,1202 1.313,1203 2.046,1204 1.815,1205 1.755,1206 1.967,1207 1.976,1208 1.211,1209 1.976,1210 1.579,1211 1.52,1212 1.86,1213 1.774,1214 1.112,1215 1.793,1216 1.577,1217 1.507,1218 1.798,1219 1.751,1220 1.094,1221 1.78,1222 1.516,1223 1.451,1224 1.758,1225 1.701,1226 0.876,1227 1.731,1228 1.331,1229 1.264,1230 1.61,1231 1.622,1232 0.825,1233 1.614,1234 1.276,1235 1.19,1236 1.571,1237 1.568,1238 0.745,1239 1.571,1240 4.443,1242 5.784,1243 2.398,1244 7.326,1245 4.443,1246 8.965,1247 6.293,1248 10.659,1250 7.54,1256 9.06,1257 6.437,1258 5.625,1260 0.261,1261 6.183,1267 45.723,1268 117.4,1269 269.671,1270 381.465,1271 421.523,1272 421.523,1273 421.523,1274 80.143,1275 8.557,1276 102.93,1277 102.93,1278 29,1279 13.025,1280 3.907,1281 3.17,1282 59.237,1283 193,1284 224,1285 0.15,1286 278.519,1287 491.61,1288 671.346,1289 69646,1291 26.811,1292 0.706,1293 0.602,1294 26.811,1295 22.866,1296 18.389,1297 0.438,1298 0.328,1299 13.54,1300 17.558,1301 13.164,1302 10.943,1303 18.389,1304 13.766,1305 16.495,1306 0.275,1307 0.178,1308 16.495,1309 10.66,1310 14.634,1311 0.176,1312 0.099,1313 14.634,1314 8.176,1315 12.164,1316 0.11,1317 0.053,1318 12.164,1319 5.921,1320 9.969,1321 0.069,1322 0.028,1323 9.969,1324 4.01,1325 0.238,1326 116.099,1327 0.189,1328 34.488,1329 0.402,1330 204,1331 554.098,1332 226.655,1333 527.84,1334 728.12,1335 496,1336 245,1337 543.776,1338 269.849,1339 547.986,1340 810.21,1341 514,1342 5}
{0 CHEMBL515414,1 1.692,2 8.16,3 2.443,4 5.968,5 95.48,6 7.782,7 0.593,8 3.89,9 4.011,10 3.473,11 3.4,12 5.09,13 3.399,14 4.406,15 4.582,16 3.824,17 3.786,18 5.571,19 3.766,20 4.604,21 4.787,22 3.969,23 3.939,24 5.865,25 3.907,26 4.718,27 4.915,28 4.046,29 4.028,30 5.865,31 3.99,32 4.803,33 4.991,34 4.115,35 4.074,36 6.03,37 4.046,38 4.888,39 5.079,40 4.106,41 4.039,42 6.291,43 4.015,44 4.917,45 5.162,46 3.803,47 3.882,48 6.264,49 3.8,50 4.684,51 4.978,52 3.285,53 3.511,54 5.94,55 3.369,56 0.097,57 0.729,58 8.4,59 3.808,60 18.354,61 4.775,62 0.323,63 1.139,64 16.412,65 6.443,66 44.619,67 8.181,68 0.466,69 1.306,70 20.413,71 7.611,72 74.389,73 10.258,74 0.467,75 1.471,76 23.032,77 8.542,78 43.778,79 11.613,80 0.387,81 1.635,82 24.871,83 9.218,84 56.384,85 12.174,86 0.697,87 1.74,88 28.293,89 9.168,90 105.849,91 11.783,92 0.909,93 1.665,94 33.123,95 9.863,96 154.818,97 13.019,98 0.865,99 1.128,100 29.123,101 8.221,102 135.934,103 11.274,104 35,105 38,106 0.293,107 0.694,108 0.839,109 0.855,110 0.855,111 0.855,112 3.269,113 0.886,114 -4.07,115 -4.01,116 -3.8,118 40.9,119 1,120 1,124 3,138 4,139 4,143 1,144 1,148 1,150 1,154 1,156 1,157 1,158 1,163 9,166 2,167 5,169 1,170 1,172 2,173 11,175 1,176 1,177 4,182 1,184 9,186 1,187 1,188 7,190 2,191 3,193 1,195 6,197 1,199 1,200 9,205 2,208 3,211 2,212 1,213 8,215 1,216 2,218 5,221 3,223 3,225 4,228 1,230 2,233 2,235 1,237 3,240 1,241 1,242 3,244 1,245 1,247 1,254 2,257 1,260 897,261 16.983,262 16.983,263 16.983,264 16.983,265 16.983,266 14.955,267 14.91,268 10.076,269 17.264,270 13.208,271 13.208,272 13.208,273 13.208,274 13.208,275 10.027,276 11.282,277 4.614,278 13.677,279 3.767,280 1.447,281 0.608,282 0.517,283 0.517,284 0.517,285 3.946,287 1,288 1,289 1,290 424,291 3.317,293 50.568,294 130.797,297 97.88,301 1.085,302 36.361,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 55.5,314 204,315 4.866,316 3.737,317 7.296,318 4.43,319 3.459,320 4.839,321 1.631,322 13.1,323 3.364,324 4.049,325 3.27,326 6.213,327 3.62,328 2.639,329 3.668,331 8.916,332 2.591,333 3.977,334 2.703,335 6.074,336 3.597,337 2.612,338 3.454,340 8.628,341 2.572,342 3.627,343 2.496,344 5.377,345 3.232,346 2.261,347 3.032,349 6.53,350 2.192,351 3.431,352 2.358,353 5.009,354 3.058,355 2.075,356 2.69,358 5.814,359 2.018,360 2.979,361 1.87,362 4.537,363 2.555,364 1.607,365 2.188,367 4.132,368 1.518,369 2.83,370 1.801,371 4.47,372 2.454,373 1.499,374 1.901,376 3.992,377 1.426,378 2.563,379 1.645,380 3.805,381 2.189,382 1.249,383 1.559,385 2.823,386 1.165,387 2.5,388 1.457,389 3.47,390 2,391 1.047,392 1.5,394 2.336,395 1,396 2.342,397 1.209,398 3.414,399 1.985,400 1,401 1.315,403 2.275,404 0.978,405 1.51,406 1,407 3.027,408 1.283,409 0.395,410 0.424,411 0.662,412 0.342,413 1.402,414 0.64,415 2.653,416 1.034,417 0.136,418 0.156,419 0.191,420 0.117,421 1.163,422 0.132,423 2.375,424 0.834,425 -0.154,426 -0.191,427 -0.342,428 -0.151,429 1.057,430 0.001,431 2.312,432 0.643,433 -0.281,434 -0.356,435 -0.602,436 -0.258,437 0.641,438 -0.193,439 2.223,440 0.252,441 -0.691,442 -0.82,443 -1.469,444 -0.635,445 11.552,446 0.462,447 0.593,448 0.024,449 32.25,450 1.29,451 16,452 0.64,453 16.25,454 0.65,455 20.184,456 0.807,457 27.448,458 0.624,459 25.959,460 1.038,461 6.546,462 0.262,463 5.532,464 0.221,465 0.16,467 0.381,468 1,471 0.747,472 1.17,473 0.758,474 1.047,475 0.705,476 0.929,477 0.859,478 0.904,479 0.822,480 0.863,481 0.802,482 0.838,483 0.666,484 0.997,485 0.796,486 0.95,487 0.639,488 0.915,489 0.615,490 0.846,491 0.814,492 0.956,493 0.64,494 0.937,495 0.87,496 1.222,497 0.901,498 1.162,499 0.841,500 1.06,501 1.226,502 1.253,503 1.178,504 1.224,505 1.266,506 1.19,507 1.337,508 1.149,509 1.25,510 1.126,511 1.416,512 1.16,513 1.264,514 0.947,515 1.139,516 0.897,517 1.241,518 0.972,519 4,520 0.029,521 2.889,522 2.674,523 2.461,524 1.296,525 0.738,526 0.566,527 0.16,528 0.061,529 5506,530 17544,531 2.015,532 43.2,533 3,534 10,536 1,537 3,540 2,542 1.694,543 1.852,544 2.925,545 1.005,546 1,547 1,548 1,550 74.446,551 1.692,552 4.013,553 4.851,554 4.942,555 4.942,556 4.942,557 2.405,558 4.324,559 4.609,560 3.076,561 922.745,562 8.05,563 10754.9,565 1,567 1,568 240.215,569 1.516,570 4.555,571 0.148,572 0.014,573 0.076,574 0.062,575 0.053,576 0.027,577 0.017,578 0.02,579 0.01,580 0.01,581 0.438,582 0.33,583 1,584 1.419,585 116.185,586 -0.093,587 -0.091,588 0.009,589 0.02,590 -0.1,591 0.038,592 -0.049,593 0.169,594 0.045,595 0.162,596 -0.065,597 0.132,598 0.086,599 -0.046,600 0.078,601 0.064,602 0.091,603 0.065,604 0.084,605 0.098,606 0.063,607 0.037,608 -0.006,609 0.038,610 -0.04,611 -0.218,612 -0.007,613 -0.159,614 -0.003,615 -0.09,616 -0.07,617 -0.157,618 -0.219,619 -0.268,620 -0.046,621 -0.278,622 -0.062,623 -0.075,624 -0.191,625 -0.175,626 -0.055,627 -0.207,628 0.024,629 0.071,630 -0.005,631 0.054,632 0.043,633 0.028,634 2.623,635 5.392,636 0.6,637 19.485,638 1.015,639 1.138,640 2.836,641 8.044,642 0.658,643 3.332,644 3.664,645 4.007,646 4.369,647 4.691,648 4.836,649 4.934,650 5.017,651 4.927,652 4.736,653 4.946,654 0.639,655 342.41,656 3.332,657 4.875,658 5.753,659 6.666,660 7.583,661 8.515,662 9.448,663 10.387,664 11.326,665 12.268,666 9.1,670 1,674 1,676 2,680 2,681 5,682 2,686 5,687 1,688 16,692 1,698 1,705 44,706 17,707 1,708 27,710 46,711 18,712 12,713 2,714 4,715 1,716 1,717 3,718 4,721 3,727 1,729 13,730 5,733 1,737 1,740 1,743 1,744 1,745 1,747 19,748 6,749 3,750 7,755 4,760 0.667,761 2,762 1,774 1,775 1,778 1,779 2,782 1,801 1,803 2,807 1,809 1,811 25,812 1,816 1,817 4,832 1,833 4.5,834 1,836 1,841 13.5,842 8.11,843 5.722,844 2.535,847 3.169,848 1.443,849 0.965,850 5.002,851 10.324,852 3.611,853 4.259,854 4.951,855 5.655,856 6.294,857 6.725,858 7.154,859 7.592,860 7.823,861 7.979,862 0.833,863 43,864 9.298,865 4.015,866 8.073,867 17.207,868 13.99,869 2.573,870 64.333,873 1,874 188.338,875 92.522,876 68.367,878 67.828,879 14.96,881 92.522,882 256.166,883 83.327,884 8.825,885 13.11,886 113.486,887 77.336,888 22.647,889 20.045,890 176.567,892 188.338,893 160.889,894 82.788,897 179.756,898 48.687,899 42.683,900 34.168,901 93.15,902 33.571,904 203.298,905 136.196,906 92.522,909 188.338,910 37.173,911 57.248,913 149.257,914 188.338,915 151.156,916 92.522,918 0.57,919 0.348,920 0.205,921 0.135,922 18,923 9,924 0.109,925 5,926 1,927 1.133,928 3.427,929 218.431,930 0.133,931 15,932 112.096,936 17.371,937 7.198,938 3.098,939 0.995,940 149.257,941 8.867,942 8.281,946 2.791,947 1.626,948 75.581,949 432.015,950 36,954 12.392,957 -0.647,960 44.643,961 50.073,962 0.31,963 0.735,964 0.889,965 0.905,966 0.905,967 0.905,968 4.844,969 1.249,970 5.753,971 3.992,972 4.344,973 4.945,974 1.843,975 6.648,976 4.282,977 6.078,978 1.047,979 7.359,980 2.823,981 4.007,982 4.902,984 7.758,985 3.945,986 7.415,987 1,988 9.076,989 2.336,990 5.994,991 7.268,992 2.717,993 10.958,994 5.884,995 8.799,996 0.395,997 10.859,998 2.275,999 6.524,1000 8.102,1002 12.963,1003 6.404,1004 10.221,1005 0.136,1006 12.686,1007 0.662,1008 7.996,1009 9.956,1010 3.653,1011 15.715,1012 7.839,1013 11.673,1014 -0.154,1015 14.545,1016 0.191,1017 8.923,1018 11.197,1020 18.077,1021 8.746,1022 13.148,1023 -0.281,1024 16.428,1025 -0.342,1026 10.219,1027 12.864,1028 4.615,1029 20.695,1030 10.009,1031 3.459,1032 -0.691,1033 18.329,1034 -0.602,1035 11.324,1036 14.293,1038 23.191,1039 11.087,1040 2.639,1041 13.1,1042 20.244,1043 -1.469,1044 12.566,1045 15.894,1046 5.586,1047 25.773,1048 12.299,1049 2.612,1050 8.916,1051 22.172,1052 4.839,1053 13.746,1054 17.406,1056 28.318,1057 13.45,1058 2.261,1059 8.628,1060 24.11,1061 3.668,1062 14.977,1063 18.986,1064 6.562,1065 30.891,1066 14.652,1067 2.075,1068 6.53,1069 26.055,1070 3.454,1071 16.19,1072 20.533,1074 33.454,1075 15.835,1076 1.607,1077 5.814,1078 28.007,1079 3.032,1080 17.422,1081 22.108,1082 7.539,1083 36.025,1084 17.038,1085 1.499,1086 4.132,1087 29.965,1088 2.69,1089 18.649,1090 23.671,1092 38.594,1093 18.236,1094 5602,1095 10085,1096 17.512,1097 28.961,1098 40.152,1099 42.209,1100 43.458,1101 39.852,1102 39.958,1103 53.455,1104 3.261,1105 118.797,1106 38.565,1107 5.68,1108 5.737,1109 7.154,1110 5.504,1111 5.459,1112 7.839,1113 3.261,1114 20.706,1115 5.364,1116 13.936,1117 1.487,1118 1.563,1119 1.61,1120 1.476,1121 1.48,1122 1.98,1123 0.121,1124 4.4,1125 1.428,1126 4.166,1127 4.201,1128 4.149,1129 4.059,1130 8.198,1131 4.076,1132 3.856,1133 3.892,1134 3.79,1135 3.775,1136 7.422,1137 3.777,1138 3.605,1139 3.668,1140 3.525,1141 3.416,1142 6.456,1143 3.421,1144 3.53,1145 3.57,1146 3.408,1147 3.318,1148 5.227,1149 3.341,1150 3.243,1151 3.315,1152 3.138,1153 3.064,1154 4.807,1155 3.063,1156 3.147,1157 3.231,1158 3.005,1159 2.879,1160 4.704,1161 2.903,1162 2.963,1163 3.073,1164 2.811,1165 2.735,1166 4.309,1167 2.722,1168 2.854,1169 2.925,1170 2.687,1171 2.706,1172 3.904,1173 2.715,1174 0.18,1175 0.138,1176 0.27,1177 0.164,1178 0.128,1179 4.866,1180 0.179,1181 3.737,1182 0.06,1183 7.296,1184 0.485,1185 4.43,1186 0.125,1187 3.459,1188 4.839,1189 1.631,1190 13.1,1191 3.364,1192 1.961,1193 1.94,1194 2.058,1195 2.041,1196 1.223,1197 2.041,1198 1.808,1199 1.758,1200 1.932,1201 2.006,1202 1.187,1203 1.987,1204 1.676,1205 1.639,1206 1.803,1207 1.845,1208 0.916,1209 1.84,1210 1.478,1211 1.43,1212 1.665,1213 1.712,1214 0.809,1215 1.7,1216 1.219,1217 1.156,1218 1.517,1219 1.456,1220 0.603,1221 1.468,1222 1.076,1223 0.994,1224 1.362,1225 1.387,1226 0.502,1227 1.393,1228 0.886,1229 0.821,1230 1.181,1231 1.223,1232 0.247,1233 1.217,1234 0.881,1235 0.805,1236 1.171,1237 1.084,1238 0.218,1239 1.107,1240 4.007,1242 5.333,1243 2.398,1244 6.874,1245 4.949,1246 8.523,1247 7.261,1248 10.235,1250 1.958,1252 13.284,1254 6.058,1255 9.166,1256 -0.436,1267 28.113,1268 74.446,1269 176.552,1270 213.46,1271 217.46,1272 217.46,1273 217.46,1274 57.175,1275 7.155,1276 94.03,1277 94.03,1278 17,1279 12.763,1280 4.17,1281 3.322,1282 41.094,1283 71,1284 87,1285 0.29,1286 174.201,1287 296.71,1288 416.811,1289 9987,1290 2.3,1291 17.974,1292 0.719,1293 0.555,1294 17.267,1295 13.868,1296 12.079,1297 0.447,1298 0.295,1299 7.84,1300 11.532,1301 7.655,1302 6.334,1303 11.541,1304 7.978,1305 10.516,1306 0.277,1307 0.153,1308 10.374,1309 5.833,1310 9.078,1311 0.168,1312 0.077,1313 8.547,1314 4.135,1315 7.693,1316 0.099,1317 0.038,1318 7.559,1319 2.994,1320 6.91,1321 0.064,1322 0.021,1323 6.732,1324 2.224,1325 0.425,1326 76.553,1327 0.239,1328 23.304,1329 0.902,1330 130,1331 454.244,1332 143.592,1333 410.51,1334 547.55,1335 384,1336 157,1337 381.114,1338 170.893,1339 386.093,1340 571.84,1341 362,1342 6.292}
{0 CHEMBL521851,1 1.78,2 12.029,3 2.892,4 8.361,5 136.875,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.41,17 4.247,18 6.005,19 4.193,20 5.085,21 5.279,22 4.431,23 4.39,24 6.061,25 4.298,26 5.148,27 5.363,28 4.399,29 4.418,30 6.122,31 4.302,32 5.146,33 5.383,34 4.367,35 4.396,36 6.121,37 4.26,38 4.99,39 5.187,40 4.34,41 4.365,42 5.882,43 4.246,44 4.978,45 5.161,46 4.376,47 4.342,48 5.958,49 4.235,50 5.064,51 5.284,52 4.373,53 4.333,54 5.977,55 4.213,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.636,63 1.735,64 30.612,65 10.283,66 59.844,67 12.197,68 0.71,69 2.06,70 43.941,71 13.352,72 54.192,73 16.27,74 0.565,75 2.113,76 43.593,77 15.122,78 65.169,79 19.016,80 0.887,81 2.089,82 50.078,83 15.742,84 77.777,85 19.215,86 0.447,87 1.937,88 41.98,89 13.99,90 27.589,91 16.735,92 0.442,93 1.876,94 33.878,95 12.865,96 37.968,97 15.547,98 0.531,99 1.975,100 41.626,101 13.47,102 38.358,103 17.095,104 11,105 59,106 0.282,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,118 37.1,123 1,124 9,138 4,139 2,141 1,142 1,143 1,145 1,148 3,161 1,163 4,166 5,167 4,172 2,173 5,176 2,177 11,182 2,184 2,187 1,188 7,193 1,195 1,199 6,200 4,203 2,208 3,212 2,213 4,221 3,224 2,225 5,228 1,230 1,233 2,236 1,237 9,242 1,245 1,248 3,249 2,260 2196,261 23.797,262 23.797,263 23.797,264 23.797,265 23.797,266 21.272,267 24.599,268 13.813,269 24.654,270 19.826,271 19.826,272 19.826,273 19.826,274 19.826,275 15.807,276 35.664,277 6.611,278 21.261,279 4.175,280 2.151,281 1.222,282 0.786,283 0.786,284 0.786,285 4.307,289 1,290 945,291 3.536,293 149.966,294 393.118,297 276.737,301 1.86,302 36.69,305 0.75,306 0.5,307 0.83,308 0.7,309 0.5,310 0.67,311 1,312 0.71,313 76.5,314 421,315 4.743,316 4.375,317 7.111,318 4.248,319 3.314,320 4.618,321 0.916,322 11.657,323 3.106,324 4.67,325 3.345,326 6.793,327 4.196,328 3.252,329 4.51,330 0.86,331 11.247,332 3.077,333 4.507,334 3.098,335 6.634,336 4.021,337 3.06,338 4.443,339 0.8,340 10.64,341 2.899,342 3.901,343 3.011,344 5.868,345 3.587,346 2.67,347 3.382,348 0.4,349 8.287,350 2.444,351 3.774,352 2.748,353 5.747,354 3.41,355 2.479,356 3.119,357 0.172,358 7.774,359 2.313,360 3.551,361 2.465,362 5.474,363 3.318,364 2.379,365 2.698,367 7.244,368 2.223,369 3.225,370 2.312,371 4.957,372 2.884,373 1.954,374 2.386,376 5.727,377 1.801,378 3.048,379 2.213,380 4.707,381 2.651,382 1.743,383 2.321,385 4.829,386 1.572,387 3.018,388 1.945,389 4.616,390 2.537,391 1.561,392 2.161,394 4.645,395 1.529,396 2.947,397 1.551,398 4.538,399 2.472,400 1.546,401 2.082,403 4.412,404 1.419,405 2.69,406 1.547,407 4.056,408 2.374,409 1.442,410 1.679,411 3.568,412 1.331,413 2.5,414 1.477,415 3.766,416 2.101,417 1.241,418 1.5,419 2.961,420 1.055,421 2.399,422 1.256,423 3.427,424 1.97,425 1,426 1.386,427 2.275,428 0.968,429 2.032,430 1.146,431 3.414,432 1.967,433 1,434 1,435 2.232,436 0.965,437 2,438 1,439 3.392,440 1.952,441 1,442 1,443 2.136,444 0.946,445 16.967,446 0.485,447 0.976,448 0.028,449 44,450 1.257,451 19.5,452 0.557,453 24.5,454 0.7,455 34.932,456 0.998,457 38.233,458 0.617,459 33.767,460 0.965,461 8.183,462 0.234,463 8.77,464 0.251,465 0.069,466 0.049,467 0.306,471 0.656,472 1.477,473 0.755,474 1.185,475 0.629,476 0.973,477 1.053,478 1.012,479 0.947,480 0.842,481 0.575,482 0.802,483 1.163,484 1.101,485 1.174,486 1.089,487 1.061,488 1.003,489 0.92,490 1.152,491 0.95,492 1.029,493 1.121,494 1.043,495 0.851,496 0.783,497 1.102,498 0.917,499 1,500 0.877,501 0.692,502 1.119,503 1.277,504 1.286,505 0.436,506 1.098,507 0.851,508 1.154,509 0.862,510 1.011,511 0.806,512 1.151,513 0.802,514 1.125,515 0.976,516 1.099,517 0.545,518 1.068,519 7.5,520 0.196,521 4,522 2.444,523 1.501,524 1.421,525 0.837,526 0.587,527 0.369,528 0.297,529 18778,530 53154,531 2.184,532 43.5,534 25,536 1,537 1,542 1.771,543 2.069,544 3.527,545 -0.26,550 110.33,551 1.78,552 3.803,553 4.732,554 5.168,555 5.168,556 5.168,557 2.952,558 4.651,559 5.097,560 3.765,561 2240.01,562 8.972,563 34343.3,568 369.16,569 1.437,570 5.068,571 0.188,572 0.006,573 0.068,574 0.042,575 0.027,576 0.026,577 0.015,578 0.011,579 0.007,580 0.007,581 0.398,582 0.33,583 0.63,584 0.597,585 187.789,586 0.082,587 -0.254,588 0.182,589 -0.099,590 -0.092,591 -0.008,592 0.004,593 0.12,594 0.012,595 0.141,596 0.23,597 0.119,598 -0.165,599 -0.034,600 -0.133,601 -0.045,602 -0.105,603 -0.034,604 -0.075,605 -0.163,606 -0.018,607 -0.049,608 -0.092,609 -0.045,610 0.038,611 0.222,612 -0.015,613 0.135,614 -0.064,615 0.129,616 -0.035,617 -0.019,618 -0.161,619 -0.142,620 -0.028,621 -0.072,622 -0.046,623 -0.102,624 -0.032,625 -0.071,626 -0.091,627 -0.182,628 -0.029,629 -0.095,630 0.012,631 -0.092,632 0.01,633 -0.073,634 4.051,635 4.845,636 0.857,637 39.378,638 1.011,639 1.131,640 1.521,641 2.313,642 0.682,643 3.714,644 4.094,645 4.394,646 4.71,647 4.963,648 5.142,649 5.384,650 5.591,651 5.737,652 5.943,653 7.405,654 0.644,655 513.71,656 3.714,657 5.293,658 6.168,659 7.076,660 7.967,661 8.879,662 9.779,663 10.694,664 11.599,665 12.515,666 11.3,669 2,672 1,674 1,676 3,680 4,681 5,682 3,683 1,685 1,686 4,688 20,701 1,705 62,706 22,707 1,708 40,710 67,711 23,712 13,713 3,714 3,717 6,718 8,729 13,730 10,733 2,736 1,737 2,747 27,748 9,749 1,750 12,751 2,755 7,760 0.667,761 3,771 1,774 1,778 2,779 4,782 2,800 1,802 1,803 4,805 2,807 1,811 35,815 1,817 9,819 1,822 3,828 1,833 4.8,836 2,837 1,841 16.917,842 11.45,843 7.333,844 3.711,847 3.989,848 1.457,849 1.04,850 6.23,851 12.708,852 3.97,853 4.64,854 5.227,855 5.887,856 6.436,857 6.916,858 7.469,859 7.993,860 8.352,861 8.832,862 0.875,863 58,864 13.148,865 5.91,866 7.688,867 25.347,868 21.963,869 2.188,870 76.583,874 306.049,875 131.959,876 74.664,878 55.313,880 37.085,881 94.874,882 361.361,883 74.664,884 7.19,885 23.925,886 43.712,887 117.318,888 43.708,889 6.576,890 325.555,892 306.049,893 169.539,894 55.313,895 37.085,897 308.377,898 44.313,899 11,900 56.422,901 60.554,902 56.042,903 31.278,904 306.049,905 129.977,906 131.959,908 5.807,909 306.049,910 72.009,911 61.91,912 16.663,913 105.547,914 306.049,915 129.977,916 131.959,918 0.595,919 0.344,920 0.188,921 0.101,922 32,923 13,924 0.075,925 5,926 2,927 1.133,928 4.541,929 358.098,930 0.133,931 30,932 169.525,933 1,935 1,936 23.255,937 9.376,938 4.681,939 3.976,940 113.314,941 10.012,942 14.245,943 3.03,945 1.727,946 3.802,948 16.663,949 567.985,950 52,953 -3.135,954 23.689,960 62.683,961 70.108,962 0.299,963 0.639,964 0.795,965 0.868,966 0.868,967 0.868,968 5.247,969 1.743,970 6.188,971 5.727,972 4.779,973 5.328,974 1.661,975 7.06,976 4.645,977 6.484,978 1.561,979 7.785,980 4.829,981 4.511,982 5.421,983 0.57,984 8.184,985 4.306,986 7.838,987 1.546,988 9.491,989 4.645,990 6.466,991 7.679,992 1.271,993 11.253,994 6.211,995 9.235,996 1.442,997 11.262,998 4.412,999 7.022,1000 8.616,1001 0.581,1002 13.186,1003 6.699,1004 10.668,1005 1.241,1006 13.076,1007 3.568,1008 8.474,1009 10.396,1010 1.026,1011 15.815,1012 8.101,1013 12.128,1014 1,1015 14.919,1016 2.961,1017 9.382,1018 11.673,1019 0.515,1020 18.05,1021 8.945,1022 13.606,1023 1,1024 16.782,1025 2.275,1026 10.651,1027 13.286,1028 0.841,1029 20.542,1030 10.162,1031 3.314,1032 1,1033 18.661,1034 2.232,1035 11.711,1036 14.701,1037 0.441,1038 22.894,1039 11.16,1040 3.252,1041 11.657,1042 20.551,1043 2.136,1044 12.914,1045 16.252,1046 0.689,1047 25.342,1048 12.308,1049 3.06,1050 11.247,1051 22.451,1052 4.618,1053 14.039,1054 17.723,1055 0.373,1056 27.74,1057 13.372,1058 2.67,1059 10.64,1060 24.358,1061 4.51,1062 15.221,1063 19.25,1064 0.564,1065 30.175,1066 14.497,1067 2.479,1068 8.287,1069 26.27,1070 4.443,1071 16.375,1072 20.745,1073 0.314,1074 32.593,1075 15.591,1076 2.379,1077 7.774,1078 28.188,1079 3.382,1080 17.552,1081 22.264,1082 0.461,1083 35.025,1084 16.709,1085 1.954,1086 7.244,1087 30.109,1088 3.119,1089 18.719,1090 23.769,1091 0.264,1092 37.452,1093 17.816,1094 17221,1095 29135,1096 27.334,1097 42.313,1098 61.554,1099 62.698,1100 61.602,1101 61.525,1102 61.455,1103 79.593,1104 6.298,1105 185.247,1106 57.253,1107 5.743,1108 6.375,1109 6.913,1110 5.389,1111 5.314,1112 7.618,1113 1.776,1114 18.927,1115 5.106,1116 14.402,1117 1.539,1118 1.567,1119 1.54,1120 1.538,1121 1.536,1122 1.99,1123 0.157,1124 4.631,1125 1.431,1126 4.155,1127 4.188,1128 4.722,1129 4.094,1130 7.716,1131 4.073,1132 4.029,1133 4.052,1134 4.339,1135 3.96,1136 6.999,1137 3.935,1138 3.988,1139 3.989,1140 4.056,1141 3.949,1142 5.13,1143 3.828,1144 3.738,1145 3.786,1146 3.665,1147 3.538,1148 4.975,1149 3.545,1150 3.643,1151 3.676,1152 3.591,1153 3.47,1154 4.612,1155 3.45,1156 3.393,1157 3.454,1158 3.417,1159 3.217,1160 4.427,1161 3.229,1162 3.264,1163 3.323,1164 3.2,1165 3.119,1166 4.336,1167 3.118,1168 3.111,1169 3.206,1170 2.949,1171 2.941,1172 4.194,1173 2.91,1174 0.119,1175 0.109,1176 0.178,1177 0.106,1178 0.083,1179 4.743,1180 0.115,1181 4.375,1182 0.023,1183 7.111,1184 0.291,1185 4.248,1186 0.078,1187 3.314,1188 4.618,1189 0.916,1190 11.657,1191 3.106,1192 1.975,1193 1.952,1194 2.038,1195 2.077,1196 1.334,1197 2.069,1198 1.854,1199 1.844,1200 1.971,1201 2.04,1202 1.224,1203 2.064,1204 1.791,1205 1.757,1206 1.928,1207 1.964,1208 1.168,1209 1.959,1210 1.63,1211 1.612,1212 1.733,1213 1.8,1214 0.989,1215 1.82,1216 1.576,1217 1.54,1218 1.603,1219 1.746,1220 0.869,1221 1.765,1222 1.402,1223 1.38,1224 1.524,1225 1.619,1226 0.832,1227 1.582,1228 1.307,1229 1.232,1230 1.513,1231 1.508,1232 0.825,1233 1.554,1234 1.153,1235 1.064,1236 1.513,1237 1.376,1238 0.825,1239 1.429,1240 4.394,1242 5.759,1243 3.045,1244 7.311,1245 5.352,1246 8.948,1247 7.424,1248 10.631,1250 1.28,1256 6.219,1258 5.586,1261 6.151,1267 39.936,1268 110.33,1269 235.802,1270 293.386,1271 320.405,1272 320.405,1273 320.405,1274 57.378,1275 8.719,1276 107.55,1277 144.17,1278 34,1279 13.028,1280 4.524,1281 3.7,1282 46.915,1283 156,1284 159,1285 0.147,1286 245.425,1287 407.97,1288 590.598,1289 77748,1291 23.993,1292 0.686,1293 0.603,1294 24.597,1295 21.108,1296 16.954,1297 0.424,1298 0.359,1299 11.704,1300 14.934,1301 11.235,1302 9.148,1303 18.256,1304 14.352,1305 16.324,1306 0.277,1307 0.205,1308 18.353,1309 12.092,1310 13.557,1311 0.169,1312 0.113,1313 15.101,1314 9.029,1315 11.866,1316 0.108,1317 0.061,1318 13.32,1319 6.737,1320 9.633,1321 0.068,1322 0.033,1323 10.894,1324 4.686,1325 0.23,1326 120.258,1327 0.191,1328 31.943,1329 0.409,1330 198,1331 581.131,1332 278.253,1333 594.77,1334 818.88,1335 556,1336 238,1337 570.047,1338 325.557,1339 621.57,1340 914.97,1341 583,1342 5}
{0 CHEMBL522892,1 1.644,2 11.483,3 1.782,4 3.174,5 110.583,6 7.85,7 0.485,8 4.047,9 4.179,10 3.661,11 3.564,12 5.18,13 3.569,14 4.589,15 4.768,16 4.07,17 3.99,18 5.696,19 3.982,20 4.85,21 5.047,22 4.167,23 4.158,24 5.955,25 4.124,26 4.961,27 5.19,28 4.158,29 4.149,30 6.204,31 4.082,32 4.929,33 5.188,34 3.955,35 4.015,36 6.03,37 3.953,38 4.683,39 4.915,40 3.899,41 3.876,42 5.946,43 3.823,44 4.553,45 4.765,46 3.733,47 3.765,48 5.709,49 3.722,50 4.466,51 4.715,52 3.529,53 3.669,54 5.461,55 3.571,56 0.083,57 0.886,58 9.549,59 4.013,60 10.718,61 5.212,62 0.281,63 1.433,64 18.687,65 6.802,66 20.524,67 9.196,68 0.356,69 1.774,70 25.624,71 9.239,72 34.54,73 12.309,74 0.681,75 1.867,76 31.032,77 11.103,78 85.154,79 15.394,80 0.638,81 1.665,82 33.013,83 9.809,84 82.244,85 13.475,86 0.542,87 1.369,88 23.953,89 7.844,90 79.087,91 11.245,92 0.377,93 1.246,94 19.966,95 6.256,96 44.302,97 8.334,98 0.342,99 1.077,100 19.425,101 6.969,102 30.263,103 9.759,104 17,105 49,106 0.274,107 0.65,108 0.766,109 0.845,110 0.851,111 0.851,112 3.409,113 0.868,114 -3.23,115 -3.22,116 -3.09,118 42,123 1,124 4,133 1,135 1,138 6,139 1,140 3,142 1,148 1,151 1,154 1,156 1,157 1,158 1,163 3,167 5,170 2,172 7,173 5,175 2,176 1,177 2,182 3,184 2,187 2,188 4,190 2,191 4,192 3,193 4,194 2,195 4,197 2,200 3,203 1,205 1,208 2,211 1,213 7,218 6,221 2,223 2,224 1,225 2,230 3,233 1,235 1,236 1,237 1,239 1,240 3,245 4,249 1,257 4,260 1256,261 19.602,262 19.602,263 19.602,264 19.602,265 19.602,266 17.385,267 24.416,268 11.161,269 20.029,270 16.271,271 16.271,272 16.271,273 16.271,274 16.271,275 12.814,276 38.408,277 5.297,278 16.992,279 4,280 1.741,281 1.045,282 0.575,283 0.535,284 0.535,285 4.117,288 1,289 1,290 743,291 2.449,293 55.207,294 299.019,297 103.645,298 121.954,301 1.812,302 34.854,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 63.5,314 333,315 4.69,316 3.682,317 6.995,318 4.293,319 3.315,320 4.499,321 1.058,322 11.831,323 3.24,324 4.463,325 3.195,326 6.446,327 3.999,328 3.039,329 4.229,330 0.8,331 10.011,332 2.917,333 4.083,334 3.178,335 6.242,336 3.746,337 2.798,338 3.582,339 0.8,340 9.293,341 2.663,342 3.877,343 2.928,344 5.995,345 3.545,346 2.576,347 3.213,349 8.506,350 2.476,351 3.438,352 2.619,353 5.245,354 3.198,355 2.272,356 2.657,358 6.296,359 2.104,360 3.362,361 2.456,362 5.046,363 3.062,364 2.103,365 2.443,367 6.089,368 2.009,369 3.138,370 2.337,371 4.921,372 2.728,373 1.774,374 2.342,376 5.143,377 1.682,378 3.102,379 1.867,380 4.76,381 2.649,382 1.676,383 2.278,385 4.751,386 1.612,387 3.005,388 1.568,389 4.467,390 2.487,391 1.526,392 2.207,394 4.417,395 1.464,396 2.699,397 1.502,398 4.256,399 2.341,400 1.38,401 1.738,403 3.83,404 1.321,405 2.593,406 1.272,407 3.808,408 2.151,409 1.179,410 1.604,411 2.795,412 1.14,413 2,414 1.146,415 3.414,416 1.967,417 1,418 1,419 2.275,420 0.965,421 1.897,422 0.818,423 3.213,424 1.38,425 0.433,426 0.624,427 1.12,428 0.409,429 1.465,430 0.457,431 3.162,432 1.051,433 0.076,434 0.094,435 0.213,436 0.073,437 1.178,438 0.275,439 2.854,440 0.878,441 -0.092,442 -0.11,443 -0.243,444 -0.087,445 13.519,446 0.466,447 0.836,448 0.029,449 38.25,450 1.319,451 18,452 0.621,453 20.25,454 0.698,455 23.671,456 0.816,457 30.881,458 0.618,459 30.221,460 1.042,461 7.694,462 0.265,463 6.314,464 0.218,465 0.112,467 0.429,470 1,471 0.761,472 1.227,473 0.733,474 1.004,475 0.603,476 0.876,477 0.78,478 1.051,479 0.767,480 0.88,481 0.511,482 0.817,483 0.982,484 1.14,485 0.96,486 1.062,487 0.839,488 1.01,489 0.611,490 0.966,491 0.877,492 1.122,493 0.682,494 1.081,495 1.312,496 0.92,497 1.016,498 0.822,499 1.372,500 0.845,501 0.677,502 0.932,503 0.807,504 0.966,505 0.623,506 0.921,507 1.293,508 1.065,509 1.203,510 1.03,511 1.22,512 1.073,513 0.62,514 0.818,515 0.918,516 0.979,517 0.604,518 1.009,519 6,520 0.157,521 3.778,522 2.854,523 2.049,524 1.487,525 0.535,526 0.575,527 0.277,528 0.221,529 11120,530 28665,531 2.15,532 42,534 17,537 4,542 1.719,543 2,544 3.45,545 1.663,546 1,547 1,550 82.206,551 1.644,552 3.902,553 4.599,554 5.069,555 5.109,556 5.109,557 2.935,558 4.72,559 4.828,560 3.607,561 1464.55,562 8.406,563 19174.4,565 1,567 1,568 282.193,569 1.44,570 4.786,571 0.182,572 0.008,573 0.077,574 0.055,575 0.043,576 0.037,577 0.014,578 0.018,579 0.011,580 0.009,581 0.453,582 0.33,583 0.88,584 0.562,585 146.101,586 -0.096,587 -0.139,588 0.038,589 0.001,590 -0.069,591 0.043,592 -0.023,593 -0.02,594 0.087,595 0.091,596 0.054,597 0.113,598 -0.106,599 -0.115,600 -0.058,601 -0.079,602 -0.032,603 -0.059,604 0.307,605 0.001,606 0.088,607 -0.136,608 0.247,609 -0.096,610 -0.166,611 0.035,612 0.03,613 0.131,614 -0.15,615 0.13,616 0.239,617 -0.01,618 0.168,619 0.011,620 0.297,621 0.064,622 -0.238,623 -0.055,624 -0.253,625 -0.098,626 -0.183,627 -0.158,628 0.117,629 0.063,630 0.046,631 0.016,632 0.046,633 0.01,634 2.147,635 6.324,636 0.862,637 26.894,638 1.01,639 1.137,640 1.995,641 3.981,642 0.67,643 3.526,644 3.912,645 4.248,646 4.575,647 4.828,648 4.997,649 5.142,650 5.333,651 5.489,652 5.62,653 6.538,654 0.649,655 392.48,656 3.526,657 5.106,658 5.994,659 6.907,660 7.808,661 8.726,662 9.633,663 10.554,664 11.465,665 12.388,666 12,667 1,669 1,672 1,673 1,674 1,676 1,680 2,681 6,682 1,683 1,686 5,688 16,701 1,704 1,705 50,706 18,707 2,708 33,710 54,711 21,712 13,713 6,714 6,715 3,717 5,718 7,729 16,730 5,733 2,737 1,740 3,744 1,745 1,747 21,748 7,749 4,750 8,753 1,755 6,760 0.6,761 1,778 1,779 4,782 1,783 1,790 1,795 1,796 1,797 1,800 1,803 3,807 1,809 1,811 29,812 1,817 4,818 1,822 2,832 1,833 2,836 1,841 14.5,842 9.243,843 6.139,844 2.932,847 3.689,848 1.442,849 1.063,850 4.391,851 12.036,852 3.784,853 4.44,854 5.082,855 5.729,856 6.287,857 6.742,858 7.2,859 7.687,860 8.056,861 8.444,862 0.875,863 52,864 10.802,865 4.855,866 7.833,867 20.45,868 17.485,869 2.333,870 67.667,874 200.109,875 108.76,876 90.728,878 25.145,879 14.96,881 108.76,882 225.254,883 105.688,884 8.396,885 59.331,886 56.857,887 51.72,888 46.184,889 17.104,890 200.109,892 200.109,893 199.488,894 40.105,897 215.069,898 25.145,900 83.713,901 96.233,902 19.542,904 215.069,905 115.873,906 108.76,909 200.109,910 43.506,911 71.502,912 34.796,913 89.788,914 200.109,915 130.833,916 108.76,918 0.599,919 0.361,920 0.201,921 0.108,922 27,923 12,924 0.037,925 2,926 2,927 1.16,928 4.005,929 275.871,930 0.16,931 25,932 136.881,936 18.311,937 6.954,938 3.117,939 1.536,940 114.047,941 10.484,942 4.596,943 3.155,946 1.505,948 67.693,949 439.701,950 43,954 12.657,957 -0.168,960 50.52,961 56.861,962 0.291,963 0.691,964 0.815,965 0.898,966 0.905,967 0.905,968 5.063,969 1.676,970 6.009,971 5.143,972 4.595,973 5.127,974 1.641,975 6.882,976 4.513,977 6.295,978 1.526,979 7.607,980 4.751,981 4.29,982 5.056,983 0.57,984 7.883,985 4.163,986 7.631,987 1.38,988 9.304,989 4.417,990 6.252,991 7.387,992 1.488,993 11.026,994 6.098,995 9.002,996 1.179,997 11.057,998 3.83,999 6.746,1000 8.139,1001 0.479,1002 12.854,1003 6.557,1004 10.406,1005 1,1006 12.847,1007 2.795,1008 8.203,1009 9.969,1010 1.47,1011 15.525,1012 7.989,1013 11.834,1014 0.433,1015 14.664,1016 2.275,1017 9.062,1018 11.106,1019 0.346,1020 17.7,1021 8.82,1022 13.28,1023 0.076,1024 16.5,1025 1.12,1026 10.328,1027 12.733,1028 1.501,1029 20.213,1030 10.062,1031 3.315,1032 -0.092,1033 18.351,1034 0.213,1035 11.355,1036 14.053,1037 0.237,1038 22.539,1039 11.065,1040 3.039,1041 11.831,1042 20.214,1043 -0.243,1044 12.551,1045 15.595,1046 1.556,1047 25.002,1048 12.238,1049 2.798,1050 10.011,1051 22.088,1052 4.499,1053 13.654,1054 17.001,1055 0.158,1056 27.396,1057 13.32,1058 2.576,1059 9.293,1060 23.969,1061 4.229,1062 14.827,1063 18.508,1064 1.626,1065 29.847,1066 14.472,1067 2.272,1068 8.506,1069 25.857,1070 3.582,1071 15.967,1072 19.955,1073 0.104,1074 32.273,1075 15.591,1076 2.103,1077 6.296,1078 27.751,1079 3.213,1080 17.137,1081 21.448,1082 1.706,1083 34.725,1084 16.739,1085 1.774,1086 6.089,1087 29.651,1088 2.657,1089 18.295,1090 22.915,1091 0.068,1092 37.169,1093 17.877,1094 10284,1095 16738,1096 22.194,1097 33.517,1098 51.138,1099 51.771,1100 52.791,1101 50.383,1102 50.292,1103 65.019,1104 5.317,1105 153.142,1106 48.149,1107 5.69,1108 5.682,1109 6.531,1110 5.36,1111 5.315,1112 7.499,1113 2.117,1114 19.431,1115 5.24,1116 13.884,1117 1.55,1118 1.569,1119 1.6,1120 1.527,1121 1.524,1122 1.97,1123 0.161,1124 4.641,1125 1.459,1126 4.142,1127 4.182,1128 4.114,1129 4.023,1130 8.201,1131 4.041,1132 3.966,1133 3.995,1134 3.933,1135 3.88,1136 7.429,1137 3.888,1138 3.807,1139 3.884,1140 3.701,1141 3.604,1142 5.118,1143 3.618,1144 3.546,1145 3.581,1146 3.49,1147 3.428,1148 4.989,1149 3.437,1150 3.311,1151 3.385,1152 3.229,1153 3.088,1154 4.603,1155 3.113,1156 3.132,1157 3.213,1158 3.042,1159 2.941,1160 4.447,1161 2.91,1162 3.111,1163 3.206,1164 2.899,1165 2.878,1166 4.228,1167 2.9,1168 3.081,1169 3.179,1170 2.866,1171 2.855,1172 3.915,1173 2.859,1174 0.142,1175 0.112,1176 0.212,1177 0.13,1178 0.1,1179 4.69,1180 0.136,1181 3.682,1182 0.032,1183 6.995,1184 0.359,1185 4.293,1186 0.098,1187 3.315,1188 4.499,1189 1.058,1190 11.831,1191 3.24,1192 1.959,1193 1.938,1194 2.047,1195 2.078,1196 1.307,1197 2.072,1198 1.938,1199 1.905,1200 2.02,1201 2.066,1202 1.151,1203 2.053,1204 1.716,1205 1.645,1206 1.909,1207 1.915,1208 1.081,1209 1.918,1210 1.568,1211 1.536,1212 1.657,1213 1.735,1214 0.825,1215 1.715,1216 1.206,1217 1.125,1218 1.539,1219 1.489,1220 0.724,1221 1.5,1222 1.153,1223 1.064,1224 1.513,1225 1.418,1226 0.641,1227 1.429,1228 1.131,1229 1.048,1230 1.321,1231 1.376,1232 0.343,1233 1.402,1234 0.997,1235 0.934,1236 1.209,1237 1.35,1238 0.235,1239 1.315,1240 4.205,1242 5.572,1243 2.398,1244 7.14,1245 4.727,1246 8.801,1247 6.843,1248 10.511,1250 2.12,1252 14.324,1254 6.201,1256 3.933,1257 2.702,1261 4.621,1267 32.441,1268 82.206,1269 195.12,1270 229.928,1271 253.438,1272 255.438,1273 255.438,1274 52.812,1275 8.346,1276 94.04,1277 94.04,1278 29,1279 12.897,1280 4.248,1281 3.459,1282 39.68,1283 114,1284 129,1285 0.172,1286 194.856,1287 334.46,1288 467.209,1289 51388,1290 2,1291 20.121,1292 0.694,1293 0.552,1294 19.25,1295 15.998,1296 14.008,1297 0.424,1298 0.289,1299 9.385,1300 13.4,1301 9.199,1302 7.556,1303 13.597,1304 9.547,1305 13.24,1306 0.27,1307 0.153,1308 12.703,1309 7.482,1310 11.645,1311 0.169,1312 0.081,1313 11.245,1314 5.599,1315 10.413,1316 0.108,1317 0.041,1318 9.889,1319 3.943,1320 8.199,1321 0.066,1322 0.022,1323 8.059,1324 2.758,1325 0.269,1326 88.277,1327 0.212,1328 27.297,1329 0.478,1330 164,1331 498.76,1332 181.452,1333 462.218,1334 636.03,1335 432,1336 200,1337 477.716,1338 218.558,1339 479.455,1340 712.37,1341 452,1342 6.237}
{0 CHEMBL52513,1 1.603,2 10.903,3 3.456,4 11.944,5 124.848,6 7.256,7 0.324,8 4.197,9 4.319,10 3.874,11 3.752,12 5.17,13 3.696,14 4.787,15 4.976,16 4.184,17 4.181,18 5.922,19 4.104,20 5.022,21 5.225,22 4.211,23 4.341,24 6.051,25 4.23,26 5.158,27 5.398,28 4.136,29 4.339,30 6.151,31 4.215,32 5.053,33 5.286,34 4.157,35 4.286,36 6.019,37 4.163,38 5.081,39 5.321,40 4.213,41 4.289,42 6.061,43 4.183,44 5.082,45 5.304,46 4.199,47 4.299,48 6.221,49 4.199,50 5.128,51 5.353,52 4.116,53 4.318,54 6.128,55 4.179,56 0.093,57 0.937,58 16.782,59 6.005,60 15.497,61 7.91,62 0.428,63 1.513,64 28.583,65 10.336,66 58.019,67 14.027,68 0.22,69 1.808,70 38.673,71 14.229,72 46.916,73 18.624,74 0.463,75 1.908,76 42.537,77 14.489,78 76.177,79 19.99,80 0.334,81 1.779,82 37.63,83 13.614,84 48.372,85 18.933,86 0.42,87 1.823,88 40.327,89 13.884,90 53.797,91 19.214,92 0.59,93 1.828,94 38.21,95 12.972,96 108.091,97 18.421,98 0.521,99 1.922,100 41.092,101 13.775,102 66.606,103 19.015,104 47,105 50,106 0.259,107 0.587,108 0.76,109 0.834,110 0.855,111 0.855,112 3.472,113 1.082,114 -3.01,115 -3.01,116 -2.91,118 37.7,120 6,123 3,124 1,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 3,172 7,173 12,177 7,182 9,184 13,188 7,193 5,195 12,200 5,203 1,204 1,205 3,208 12,213 6,216 3,217 1,218 4,221 9,224 2,225 6,228 1,230 4,233 8,237 6,240 2,241 1,242 3,245 7,248 1,249 5,252 1,254 2,257 5,260 1621,261 20.549,262 20.549,263 20.549,264 20.549,265 20.549,266 18.703,267 23.109,268 11.767,269 20.897,270 16.692,271 16.692,272 16.692,273 16.692,274 16.692,275 13.47,276 22.256,277 5.498,278 17.265,279 4.328,280 2.292,281 1.218,282 0.758,283 0.627,284 0.627,285 4.163,288 1,289 1,290 719,291 4.301,293 127.186,294 162.059,297 242.572,301 1.525,302 36.098,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 67,314 338,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 1.058,322 12.389,323 3.224,324 4.589,325 3.654,326 6.786,327 4.202,328 3.224,329 4.294,330 0.8,331 11.195,332 3.114,333 4.44,334 3.37,335 6.683,336 4.078,337 3.095,338 4.029,340 10.8,341 2.99,342 3.687,343 2.742,344 5.615,345 3.278,346 2.291,347 3.084,349 7.274,350 2.264,351 3.435,352 2.586,353 5.43,354 3.167,355 2.225,356 2.656,358 6.554,359 2.132,360 3.236,361 2.448,362 4.91,363 3.081,364 2.093,365 2.323,367 5.423,368 2.02,369 3.124,370 2.094,371 4.841,372 2.781,373 1.806,374 2.231,376 5.177,377 1.754,378 3.032,379 1.837,380 4.685,381 2.637,382 1.668,383 2.159,385 5.068,386 1.612,387 2.952,388 1.783,389 4.652,390 2.529,391 1.527,392 2.075,394 4.475,395 1.521,396 2.518,397 1.481,398 3.84,399 2.365,400 1.37,401 1.488,403 3.073,404 1.362,405 2.367,406 1.369,407 3.603,408 2.225,409 1.237,410 1.297,411 2.833,412 1.221,413 2.226,414 0.958,415 3.567,416 1.822,417 0.828,418 1.144,419 2.156,420 0.82,421 1.736,422 0.898,423 3.207,424 1.606,425 0.629,426 0.682,427 1.5,428 0.613,429 1.545,430 0.788,431 3.117,432 1.319,433 0.391,434 0.43,435 0.537,436 0.361,437 1.427,438 0.553,439 2.924,440 1.027,441 0.052,442 0.065,443 0.134,444 0.05,445 14.933,446 0.482,447 0.961,448 0.031,449 36.25,450 1.169,451 16.5,452 0.532,453 19.75,454 0.637,455 31.335,456 1.011,457 34.867,458 0.572,459 29.531,460 0.953,461 6.628,462 0.214,463 8.169,464 0.264,465 0.167,466 0.056,467 0.328,471 0.604,472 1.412,473 0.874,474 1.249,475 0.608,476 1.03,477 0.641,478 0.966,479 0.835,480 0.87,481 0.467,482 0.868,483 0.847,484 1.183,485 1.097,486 1.208,487 0.76,488 1.088,489 1.136,490 0.945,491 0.914,492 0.886,493 1.101,494 0.968,495 0.741,496 1.055,497 0.782,498 0.975,499 0.78,500 1.004,501 0.668,502 1.024,503 0.775,504 0.974,505 0.713,506 0.92,507 0.868,508 1.058,509 0.808,510 0.918,511 0.811,512 0.991,513 1.079,514 1.098,515 1.11,516 1.091,517 0.991,518 1.208,519 7.5,520 0.231,521 4.444,522 2.965,523 1.396,524 1.351,525 1.114,526 0.71,527 0.411,528 0.422,529 11742,530 29149,531 2.038,532 49.2,533 8,534 15,537 3,538 2,539 2,542 1.743,543 1.869,544 3.403,545 0.876,547 1,550 97.771,551 1.603,552 3.639,553 4.713,554 5.172,555 5.303,556 5.303,557 2.837,558 4.567,559 4.924,560 3.569,561 1659.8,562 8.637,563 23199.8,565 1,568 361.775,569 1.663,570 4.859,571 0.221,572 0.008,573 0.089,574 0.058,575 0.03,576 0.029,577 0.022,578 0.014,579 0.01,580 0.013,581 0.495,582 0.33,583 1,584 1.448,585 159.152,586 0.064,587 -0.125,588 0.198,589 -0.041,590 -0.101,591 0.038,592 0.209,593 0.181,594 0.109,595 0.155,596 0.241,597 0.135,598 -0.041,599 -0.114,600 -0.072,601 -0.111,602 0.047,603 -0.052,604 -0.137,605 0.031,606 -0.035,607 0.039,608 -0.077,609 0.007,610 0.062,611 -0.062,612 0.084,613 -0.016,614 0.01,615 0.001,616 0.163,617 -0.024,618 0.138,619 -0.008,620 0.066,621 0.077,622 0.126,623 -0.048,624 0.03,625 -0.007,626 0.177,627 -0.017,628 -0.088,629 -0.05,630 -0.198,631 -0.15,632 -0.08,633 -0.245,634 4.51,635 5.759,636 0.581,637 29.692,638 0.999,639 1.13,640 1.783,641 3.179,642 0.655,643 3.555,644 3.932,645 4.22,646 4.5,647 4.745,648 4.92,649 5.142,650 5.298,651 5.323,652 5.421,653 6.57,654 0.611,655 442.64,656 3.555,657 5.13,658 5.999,659 6.907,660 7.802,661 8.717,662 9.623,663 10.542,664 11.455,665 12.376,666 6.6,668 1,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 61,706 15,707 1,708 34,710 64,711 23,712 10,713 3,714 3,715 3,717 4,718 6,724 4,727 6,729 13,730 10,733 4,736 1,737 3,738 1,740 2,744 1,747 30,748 6,749 3,750 8,751 1,755 4,760 0.5,761 3,775 1,778 2,779 2,782 2,790 1,795 1,796 1,800 1,803 2,805 1,807 3,811 31,815 1,817 7,818 2,822 1,833 4.9,836 3,841 16.583,842 11.7,843 6.708,844 3.792,847 3.017,848 1.374,849 1.003,850 6.29,851 11.089,852 3.795,853 4.428,854 4.981,855 5.539,856 6.058,857 6.482,858 6.932,859 7.327,860 7.603,861 7.968,862 1,863 51,864 11.777,865 5.31,866 7.788,867 22.419,868 19.153,869 2.288,870 70.917,873 1,874 317.82,875 113.482,876 54.326,878 69.458,880 5.807,881 107.675,882 387.278,883 54.326,884 25.189,885 35.324,886 60.117,887 74.163,888 36.96,889 5.513,890 317.82,892 317.82,893 162.001,894 69.458,895 5.807,897 294.278,898 93,900 71.638,901 80.886,902 15.284,904 317.82,905 123.783,906 113.482,908 5.807,909 317.82,910 44.581,911 66.218,912 51.201,913 69.458,914 317.82,915 123.783,916 113.482,918 0.593,919 0.343,920 0.176,921 0.097,922 25,923 12,924 0.109,925 7,926 2,927 1.222,928 4.051,929 290.923,930 0.222,931 18,932 149.58,935 1,936 22.128,937 8.812,938 4.451,940 106.998,941 4.726,943 3.574,946 6.359,948 51.201,949 555.086,950 43.5,953 -3.593,954 37.281,955 1.903,957 0.288,960 60.952,961 68.939,962 0.27,963 0.614,964 0.795,965 0.872,966 0.894,967 0.894,968 5.08,969 1.668,970 6.038,971 5.177,972 4.615,973 5.115,974 1.435,975 6.93,976 4.552,977 6.328,978 1.527,979 7.658,980 5.068,981 4.443,982 5.286,983 0.325,984 8.159,985 4.316,986 7.696,987 1.37,988 9.388,989 4.475,990 6.33,991 7.439,992 1.379,993 11.219,994 6.189,995 9.107,996 1.237,997 11.184,998 3.073,999 6.967,1000 8.428,1001 0.268,1002 13.255,1003 6.754,1004 10.556,1005 0.828,1006 13.024,1007 2.833,1008 8.39,1009 10.145,1010 1.406,1011 15.902,1012 8.159,1013 12.03,1014 0.629,1015 14.893,1016 2.156,1017 9.363,1018 11.452,1019 0.188,1020 18.223,1021 9.065,1022 13.525,1023 0.391,1024 16.784,1025 1.5,1026 10.63,1027 13.032,1028 1.462,1029 20.749,1030 10.303,1031 3.397,1032 0.052,1033 18.69,1034 0.537,1035 11.737,1036 14.462,1037 0.125,1038 23.17,1039 11.351,1040 3.224,1041 12.389,1042 20.608,1043 0.134,1044 12.952,1045 15.997,1046 1.533,1047 25.661,1048 12.529,1049 3.095,1050 11.195,1051 22.536,1052 4.71,1053 14.112,1054 17.478,1055 0.082,1056 28.12,1057 13.635,1058 2.291,1059 10.8,1060 24.47,1061 4.294,1062 15.311,1063 19.001,1064 1.613,1065 30.604,1066 14.792,1067 2.225,1068 7.274,1069 26.411,1070 4.029,1071 16.492,1072 20.505,1073 0.054,1074 33.079,1075 15.922,1076 2.093,1077 6.554,1078 28.356,1079 3.084,1080 17.688,1081 22.027,1082 1.698,1083 35.565,1084 17.072,1085 1.806,1086 5.423,1087 30.305,1088 2.656,1089 18.878,1090 23.543,1091 0.035,1092 38.049,1093 18.213,1094 11462,1095 18369,1096 22.076,1097 39.932,1098 51.957,1099 53.851,1100 54.106,1101 51.686,1102 51.665,1103 65.332,1104 3.717,1105 157.18,1106 50.117,1107 5.802,1108 6.684,1109 6.975,1110 5.378,1111 5.397,1112 7.71,1113 2.117,1114 19.645,1115 5.224,1116 18.187,1117 1.528,1118 1.584,1119 1.591,1120 1.52,1121 1.52,1122 1.922,1123 0.109,1124 4.623,1125 1.474,1126 4.141,1127 4.159,1128 4.735,1129 4.1,1130 7.717,1131 4.058,1132 4.036,1133 4.045,1134 4.047,1135 3.966,1136 7.429,1137 3.941,1138 3.799,1139 3.793,1140 3.864,1141 3.707,1142 6.999,1143 3.65,1144 3.692,1145 3.775,1146 3.538,1147 3.515,1148 4.83,1149 3.507,1150 3.52,1151 3.586,1152 3.397,1153 3.374,1154 4.683,1155 3.361,1156 3.347,1157 3.411,1158 3.256,1159 3.186,1160 4.326,1161 3.182,1162 3.261,1163 3.342,1164 3.077,1165 3.046,1166 4.151,1167 3.041,1168 3.09,1169 3.157,1170 2.907,1171 2.896,1172 4.089,1173 2.869,1174 0.143,1175 0.138,1176 0.215,1177 0.127,1178 0.1,1179 4.855,1180 0.139,1181 4.684,1182 0.031,1183 7.294,1184 0.364,1185 4.329,1186 0.095,1187 3.397,1188 4.71,1189 1.058,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.055,1195 2.022,1196 1.409,1197 2.059,1198 1.871,1199 1.832,1200 1.978,1201 1.993,1202 1.263,1203 2.016,1204 1.746,1205 1.704,1206 1.942,1207 1.926,1208 1.198,1209 1.939,1210 1.613,1211 1.569,1212 1.772,1213 1.806,1214 0.941,1215 1.808,1216 1.501,1217 1.484,1218 1.657,1219 1.716,1220 0.798,1221 1.733,1222 1.388,1223 1.326,1224 1.634,1225 1.611,1226 0.754,1227 1.622,1228 1.22,1229 1.146,1230 1.463,1231 1.491,1232 0.687,1233 1.478,1234 1.095,1235 1.023,1236 1.417,1237 1.321,1238 0.602,1239 1.367,1240 4.234,1242 5.595,1243 3.045,1244 7.141,1245 5.533,1246 8.772,1247 7.719,1248 10.451,1250 5.532,1256 7.467,1257 5.197,1261 2.182,1267 37.265,1268 97.771,1269 221.959,1270 287.471,1271 315.51,1272 323.51,1273 323.51,1274 69.056,1275 8.072,1276 98.06,1277 106.44,1278 22,1279 12.885,1280 4,1281 3.392,1282 49.122,1283 121,1284 126,1285 0.199,1286 231.626,1287 405.62,1288 556.927,1289 36584,1291 22.173,1292 0.715,1293 0.618,1294 22.423,1295 19.156,1296 14.797,1297 0.435,1298 0.361,1299 10.773,1300 13.463,1301 10.297,1302 8.581,1303 15.618,1304 12.266,1305 14.081,1306 0.282,1307 0.208,1308 15.457,1309 10.402,1310 11.643,1311 0.174,1312 0.112,1313 12.782,1314 7.529,1315 9.403,1316 0.106,1317 0.059,1318 10.012,1319 5.253,1320 7.692,1321 0.067,1322 0.033,1323 8.227,1324 3.775,1325 0.307,1326 100.698,1327 0.213,1328 28.659,1329 0.564,1330 168,1331 456.711,1332 217.98,1333 464.192,1334 632.22,1335 428,1336 201,1337 438.81,1338 256.377,1339 484.734,1340 710.32,1341 453,1342 8}
{0 CHEMBL525191,1 1.571,2 9.36,3 2.407,4 5.796,5 95.753,6 7.777,7 0.607,8 3.887,9 3.997,10 3.491,11 3.444,12 5.086,13 3.433,14 4.376,15 4.534,16 3.818,17 3.851,18 5.433,19 3.817,20 4.601,21 4.805,22 3.851,23 3.954,24 5.622,25 3.889,26 4.61,27 4.801,28 3.855,29 3.935,30 5.719,31 3.874,32 4.636,33 4.853,34 3.777,35 3.9,36 5.678,37 3.828,38 4.539,39 4.74,40 3.71,41 3.879,42 5.524,43 3.791,44 4.612,45 4.842,46 3.659,47 3.849,48 5.599,49 3.744,50 4.589,51 4.841,52 3.498,53 3.676,54 5.628,55 3.571,56 0.128,57 0.648,58 8.273,59 3.802,60 17.434,61 4.705,62 0.141,63 1.043,64 14.684,65 6.079,66 19.042,67 7.92,68 0.259,69 1.235,70 20.378,71 7.795,72 29.015,73 10.613,74 0.239,75 1.236,76 20.176,77 7.747,78 35.055,79 10.37,80 0.304,81 1.234,82 22.102,83 7.93,84 38.06,85 10.684,86 0.178,87 1.135,88 18.979,89 7.899,90 23.238,91 10.631,92 0.158,93 1.179,94 21.549,95 8.453,96 27.666,97 11.768,98 0.338,99 1.09,100 22.914,101 7.773,102 45.313,103 10.679,104 10,105 39,106 0.271,107 0.641,108 0.81,109 0.864,110 0.872,111 0.872,112 3.268,113 0.882,114 -3.29,115 -3.28,116 -3.14,118 44.2,120 2,124 2,138 5,139 5,141 2,142 1,147 1,150 1,159 1,161 1,163 11,167 7,173 14,177 9,180 1,182 2,184 12,188 8,191 1,193 3,195 9,199 1,200 6,205 3,208 7,212 1,213 6,218 3,221 6,225 4,230 5,233 5,236 2,237 3,242 2,245 2,249 4,252 3,254 3,260 939,261 17.533,262 17.533,263 17.533,264 17.533,265 17.533,266 15.205,267 10.747,268 10.464,269 17.81,270 13.767,271 13.767,272 13.767,273 13.767,274 13.767,275 10.404,276 8.152,277 4.819,278 14.159,279 3.855,280 1.712,281 0.735,282 0.419,283 0.372,284 0.372,285 3.968,287 1,288 1,289 1,290 510,291 2.646,293 119.434,294 132.364,297 94.583,301 1.414,302 19.209,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 54,314 234,315 4.565,316 3.778,317 6.739,318 4.192,319 3.205,320 4.287,321 1.869,322 11.05,323 3.165,324 4.378,325 3.217,326 6.521,327 4.019,328 3.032,329 3.985,331 10.25,332 2.992,333 3.852,334 3.053,335 5.762,336 3.454,337 2.464,338 3.367,340 7.804,341 2.441,342 3.676,343 2.481,344 5.311,345 3.275,346 2.32,347 3.068,349 6.828,350 2.21,351 3.301,352 2.431,353 5.079,354 2.871,355 1.897,356 2.516,358 5.756,359 1.845,360 3.087,361 2.061,362 4.533,363 2.633,364 1.675,365 2.302,367 4.321,368 1.604,369 2.833,370 1.757,371 4.195,372 2.437,373 1.451,374 1.951,376 3.721,377 1.429,378 2.623,379 1.544,380 3.925,381 2.178,382 1.223,383 1.66,385 3.009,386 1.164,387 2.5,388 1.473,389 3.463,390 1.984,391 1,392 1.5,394 2.219,395 0.983,396 2.272,397 1.126,398 3.247,399 1.879,400 0.938,401 1.163,403 2.136,404 0.874,405 2.089,406 1,407 3.242,408 1.746,409 0.789,410 1.052,411 1.67,412 0.752,413 1.944,414 0.801,415 3.122,416 1.722,417 0.74,418 0.858,419 1.602,420 0.727,421 1.422,422 0.701,423 2.731,424 1.243,425 0.246,426 0.274,427 0.393,428 0.245,429 0.82,430 -0.045,431 2.558,432 0.474,433 -0.419,434 -0.458,435 -0.698,436 -0.37,437 0.744,438 -0.169,439 2.323,440 0.453,441 -0.53,442 -0.68,443 -1.344,444 -0.52,445 11.767,446 0.471,447 0.462,448 0.018,449 33.5,450 1.34,451 17.5,452 0.7,453 16,454 0.64,455 18.479,456 0.739,457 26.033,458 0.605,459 23.883,460 0.955,461 6.764,462 0.271,463 5.532,464 0.221,465 0.057,467 0.331,471 0.777,472 1.047,473 0.762,474 0.91,475 0.854,476 0.857,477 0.846,478 1.093,479 0.878,480 0.927,481 0.698,482 0.903,483 0.765,484 0.989,485 0.925,486 0.934,487 0.707,488 0.944,489 0.886,490 1.156,491 1.012,492 1.108,493 0.809,494 1.081,495 1.035,496 0.948,497 1.03,498 0.951,499 0.931,500 0.977,501 0.681,502 1.081,503 0.994,504 1.145,505 0.685,506 1.13,507 0.645,508 1.179,509 0.967,510 1.215,511 0.583,512 1.156,513 1.092,514 0.916,515 1.061,516 1.031,517 1.112,518 1.04,519 4,520 0.061,521 2.667,522 1.764,523 1.429,524 0.771,525 0.42,526 0.323,527 0.268,528 0.166,529 6854,530 19534,531 2.154,532 41.9,533 2,534 9,535 1,536 2,537 2,538 2,542 1.686,543 2.055,544 3.21,545 0.273,546 1,547 1,548 1,550 67.56,551 1.571,552 3.714,553 4.691,554 5.008,555 5.054,556 5.054,557 2.695,558 4.484,559 4.611,560 3.343,561 1002.81,562 8.007,563 11865.8,565 1,567 1,568 233.329,569 1.26,570 4.592,571 0.143,572 0.006,573 0.068,574 0.045,575 0.038,576 0.022,577 0.013,578 0.011,579 0.011,580 0.01,581 0.367,582 0.33,583 1,584 0.955,585 118.82,586 0.079,587 0.08,588 0.035,589 0.097,590 -0.018,591 0.054,592 -0.129,593 0.006,594 -0.038,595 0.064,596 -0.085,597 0.036,598 -0.03,599 0.043,600 -0.014,601 0.053,602 -0.055,603 0.03,604 -0.041,605 -0.125,606 -0.101,607 -0.128,608 -0.01,609 -0.125,610 -0.12,611 0.056,612 -0.072,613 0.02,614 -0.073,615 -0.009,616 -0.009,617 -0.094,618 -0.091,619 -0.128,620 -0.052,621 -0.127,622 0.029,623 -0.231,624 -0.019,625 -0.207,626 0.061,627 -0.134,628 -0.04,629 0.007,630 -0.023,631 -0.062,632 -0.029,633 -0.043,634 1.461,635 3.236,636 0.8,637 21.267,638 1.006,639 1.124,640 2.064,641 4.26,642 0.681,643 3.367,644 3.689,645 4.025,646 4.344,647 4.554,648 4.691,649 4.875,650 5.024,651 5.1,652 5.159,653 5.622,654 0.656,655 334.41,656 3.367,657 4.905,658 5.778,659 6.671,660 7.565,661 8.468,662 9.371,663 10.278,664 11.185,665 12.094,666 9.3,674 1,675 1,676 2,681 8,682 2,686 6,687 1,688 17,691 1,705 43,706 18,707 1,708 28,710 46,711 19,712 14,713 3,714 3,715 1,717 4,718 5,721 1,724 2,727 2,729 15,730 4,733 1,739 1,740 1,743 1,744 1,747 18,748 5,749 2,750 6,755 4,760 0.75,761 2,762 1,771 1,773 1,778 2,779 2,782 1,801 2,803 3,811 25,816 2,817 4,833 4.7,834 1,838 1,841 12.167,842 7.617,843 5.639,844 2.559,847 3.366,848 1.45,849 0.969,850 4.244,851 10.852,852 3.651,853 4.266,854 4.904,855 5.532,856 6.053,857 6.418,858 6.901,859 7.328,860 7.701,861 8.003,862 1,863 39,864 9.181,865 3.924,866 7.767,867 17.601,868 14.698,869 2.267,870 56.667,873 1,874 188.338,875 103.14,876 48.473,878 85.489,881 103.14,882 273.827,883 48.473,885 7.175,886 99.112,887 59.747,888 94.609,889 11.771,890 153.024,892 188.338,893 151.612,894 85.489,897 188.338,898 42.806,899 42.683,900 43.05,901 75.113,902 33.449,904 188.338,905 133.962,906 103.14,909 188.338,910 28.616,911 76.3,913 132.185,914 188.338,915 133.962,916 103.14,918 0.568,919 0.347,920 0.204,921 0.11,922 20,923 8,924 0.087,925 4,926 1,927 1.1,928 3.702,929 216.176,930 0.1,931 20,932 112.096,936 15.854,937 6.692,938 2.917,940 132.185,941 15.487,942 8.706,946 6.121,947 1.763,948 85.489,949 425.439,950 37.5,956 3.39,957 0.742,960 43.247,961 48.318,962 0.29,963 0.685,964 0.865,965 0.923,966 0.931,967 0.931,968 4.877,969 1.223,970 5.753,971 3.721,972 4.369,973 4.952,974 2.077,975 6.594,976 4.323,977 6.085,978 1,979 7.322,980 3.009,981 3.892,982 4.677,984 7.545,985 3.843,986 7.398,987 0.938,988 8.995,989 2.219,990 5.979,991 7.162,992 3.234,993 10.686,994 5.904,995 8.752,996 0.789,997 10.731,998 2.136,999 6.399,1000 7.769,1002 12.499,1003 6.324,1004 10.141,1005 0.74,1006 12.509,1007 1.67,1008 7.904,1009 9.664,1010 4.456,1011 15.137,1012 7.807,1013 11.555,1014 0.246,1015 14.314,1016 1.602,1017 8.726,1018 10.683,1020 17.286,1021 8.627,1022 12.987,1023 -0.419,1024 16.139,1025 0.393,1026 10.005,1027 12.328,1028 5.698,1029 19.757,1030 9.889,1031 3.205,1032 -0.53,1033 17.978,1034 -0.698,1035 11.009,1036 13.553,1038 22.043,1039 10.886,1040 3.032,1041 11.05,1042 19.829,1043 -1.344,1044 12.201,1045 15.084,1046 6.946,1047 24.456,1048 12.064,1049 2.464,1050 10.25,1051 21.688,1052 4.287,1053 13.284,1054 16.413,1056 26.797,1057 13.138,1058 2.32,1059 7.804,1060 23.553,1061 3.985,1062 14.445,1063 17.892,1064 8.196,1065 29.19,1066 14.286,1067 1.897,1068 6.828,1069 25.425,1070 3.367,1071 15.564,1072 19.274,1074 31.556,1075 15.394,1076 1.675,1077 5.756,1078 27.3,1079 3.068,1080 16.714,1081 20.73,1082 9.447,1083 33.943,1084 16.531,1085 1.451,1086 4.321,1087 29.18,1088 2.516,1089 17.849,1090 22.14,1092 36.32,1093 17.654,1094 6548,1095 11139,1096 19.186,1097 29.262,1098 42.263,1099 44.605,1100 43.423,1101 42.01,1102 41.958,1103 55.967,1104 3.737,1105 121.513,1106 40.86,1107 5.395,1108 5.778,1109 6.541,1110 5.227,1111 5.205,1112 7.287,1113 3.737,1114 18.255,1115 5.165,1116 9.347,1117 1.509,1118 1.593,1119 1.551,1120 1.5,1121 1.499,1122 1.999,1123 0.133,1124 4.34,1125 1.459,1126 4.096,1127 4.131,1128 4.058,1129 4.02,1130 6.543,1131 4.023,1132 3.924,1133 3.963,1134 3.874,1135 3.821,1136 6.456,1137 3.829,1138 3.738,1139 3.796,1140 3.67,1141 3.574,1142 5.001,1143 3.591,1144 3.471,1145 3.521,1146 3.361,1147 3.315,1148 4.811,1149 3.316,1150 3.288,1151 3.346,1152 3.154,1153 3.099,1154 4.671,1155 3.099,1156 3.058,1157 3.116,1158 2.935,1159 2.852,1160 4.1,1161 2.86,1162 2.854,1163 2.925,1164 2.687,1165 2.735,1166 3.788,1167 2.715,1168 2.755,1169 2.822,1170 2.653,1171 2.527,1172 3.717,1173 2.547,1174 0.163,1175 0.135,1176 0.241,1177 0.15,1178 0.114,1179 4.565,1180 0.153,1181 3.778,1182 0.067,1183 6.739,1184 0.395,1185 4.192,1186 0.113,1187 3.205,1188 4.287,1189 1.869,1190 11.05,1191 3.165,1192 1.945,1193 1.927,1194 2.024,1195 2.007,1196 1.219,1197 2.013,1198 1.822,1199 1.79,1200 1.927,1201 1.944,1202 1.066,1203 1.94,1204 1.592,1205 1.525,1206 1.806,1207 1.851,1208 1.036,1209 1.839,1210 1.546,1211 1.49,1212 1.767,1213 1.731,1214 0.98,1215 1.741,1216 1.321,1217 1.288,1218 1.444,1219 1.451,1220 0.61,1221 1.45,1222 1.004,1223 0.927,1224 1.207,1225 1.36,1226 0.297,1227 1.315,1228 0.953,1229 0.9,1230 1.181,1231 1.214,1232 0.218,1233 1.189,1234 0.886,1235 0.821,1236 1.16,1237 1.062,1238 0.206,1239 1.107,1240 4.043,1242 5.361,1243 3.045,1244 6.882,1245 5.416,1246 8.496,1247 7.526,1248 10.159,1255 18.336,1256 2.121,1267 28.203,1268 67.56,1269 159.72,1270 201.72,1271 215.329,1272 217.329,1273 217.329,1274 35.277,1275 7.485,1276 83.53,1277 83.53,1278 22,1279 12.61,1280 4.248,1281 3.392,1282 35.704,1283 81,1284 93,1285 0.213,1286 172.274,1287 292.94,1288 412.11,1289 16818,1291 17.225,1292 0.689,1293 0.545,1294 17.225,1295 13.631,1296 12.296,1297 0.439,1298 0.294,1299 8.126,1300 11.81,1301 7.983,1302 6.568,1303 12.296,1304 8.232,1305 10.595,1306 0.272,1307 0.155,1308 10.595,1309 6.033,1310 9.439,1311 0.172,1312 0.082,1313 9.439,1314 4.524,1315 8.32,1316 0.109,1317 0.044,1318 8.32,1319 3.314,1320 6.576,1321 0.07,1322 0.023,1323 6.576,1324 2.179,1325 0.325,1326 77.271,1327 0.228,1328 23.89,1329 0.614,1330 134,1331 380.88,1332 143.789,1333 373.572,1334 515.79,1335 350,1336 161,1337 387.666,1338 171.596,1339 392.319,1340 569.18,1341 370,1342 5}
{0 CHEMBL535,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,118 39.3,119 4,124 4,132 1,133 1,138 3,139 3,140 2,148 2,151 2,163 6,167 4,170 2,172 8,173 7,177 3,180 1,182 6,184 8,188 4,191 1,192 1,193 3,195 8,199 1,200 4,203 1,204 1,205 5,208 5,213 4,218 4,221 4,225 6,228 1,230 3,233 6,236 1,237 2,240 2,241 1,242 1,245 5,249 2,254 3,257 5,260 1395,261 19.24,262 19.24,263 19.24,264 19.24,265 19.24,266 17.408,267 25.99,268 11.043,269 19.62,270 15.105,271 15.105,272 15.105,273 15.105,274 15.105,275 12.167,276 30.71,277 5.039,278 15.616,279 4.223,280 2.178,281 1.175,282 0.732,283 0.732,284 0.732,285 4.082,288 1,289 1,290 707,291 4.062,293 154.273,294 84.801,297 128.978,301 2.105,302 37.028,305 1,306 1,307 1,308 1,309 1,310 1,311 1,312 1,313 63.5,314 338,315 4.619,316 3.668,317 6.845,318 4.245,319 3.256,320 4.332,321 1.058,322 11.257,323 3.22,324 4.49,325 3.635,326 6.721,327 4.136,328 3.145,329 4.111,330 1.058,331 10.905,332 3.113,333 3.829,334 2.996,335 5.705,336 3.416,337 2.463,338 3.258,339 0.8,340 7.519,341 2.375,342 3.628,343 2.971,344 5.455,345 3.355,346 2.406,347 2.899,349 6.694,350 2.255,351 3.438,352 2.78,353 5.271,354 3.242,355 2.267,356 2.569,358 6.623,359 2.192,360 3.317,361 2.546,362 4.966,363 2.899,364 1.936,365 2.442,367 5.734,368 1.844,369 3.173,370 2.205,371 4.871,372 2.803,373 1.823,374 2.338,376 5.105,377 1.774,378 3.033,379 1.951,380 4.707,381 2.635,382 1.64,383 2.146,385 4.754,386 1.62,387 2.728,388 1.567,389 4.407,390 2.374,391 1.413,392 1.77,394 3.88,395 1.355,396 2.382,397 1.546,398 3.65,399 2.036,400 1.042,401 1.241,403 2.355,404 1.029,405 2.163,406 0.941,407 3.368,408 1.773,409 0.787,410 1.057,411 2.007,412 0.771,413 1.618,414 0.82,415 3.011,416 1.591,417 0.618,418 0.618,419 0.791,420 0.6,421 1.513,422 0.744,423 2.628,424 1.138,425 0.177,426 0.203,427 0.399,428 0.168,429 1.183,430 0.576,431 2.618,432 1.037,433 0.066,434 0.078,435 0.124,436 0.063,437 1.042,438 0.375,439 2.459,440 0.77,441 -0.24,442 -0.277,443 -0.524,444 -0.238,445 13.552,446 0.467,447 0.822,448 0.028,449 33.5,450 1.155,451 15,452 0.517,453 18.5,454 0.638,455 28.078,456 0.968,457 32.648,458 0.583,459 27.063,460 0.933,461 6.772,462 0.234,463 7.078,464 0.244,465 0.218,467 0.398,470 1,471 0.676,472 1.273,473 0.827,474 1.147,475 0.544,476 1.031,477 0.653,478 1.063,479 0.753,480 0.935,481 0.489,482 0.866,483 1.045,484 0.979,485 0.964,486 0.941,487 0.905,488 0.924,489 0.854,490 1.157,491 1.037,492 1.261,493 0.867,494 1.201,495 1.031,496 0.824,497 0.956,498 0.87,499 1.142,500 0.898,501 0.887,502 0.832,503 0.814,504 0.796,505 0.831,506 0.782,507 0.966,508 0.95,509 0.971,510 1.055,511 1.062,512 1.029,513 1.226,514 0.956,515 1.076,516 0.927,517 1.288,518 0.968,519 6.5,520 0.086,521 3.778,522 3.368,523 1.503,524 1.07,525 0.754,526 0.607,527 0.463,528 0.194,529 10261,530 26966,531 1.973,532 48.2,533 3,534 12,537 3,538 3,539 6,542 1.719,543 1.794,544 3.48,545 0.891,546 1,547 1,550 88.722,551 1.584,552 3.63,553 4.633,554 5.075,555 5.075,556 5.075,557 2.945,558 4.487,559 4.825,560 3.702,561 1503.13,562 8.406,563 20612.1,565 1,567 1,568 325.212,569 1.556,570 4.756,571 0.21,572 0.005,573 0.086,574 0.073,575 0.036,576 0.028,577 0.02,578 0.017,579 0.014,580 0.008,581 0.496,582 0.33,583 1,584 1.766,585 148.127,586 -0.05,587 -0.12,588 0.029,589 -0.024,590 -0.046,591 0.012,592 0.072,593 -0.021,594 0.162,595 0.094,596 0.093,597 0.138,598 -0.107,599 0.081,600 -0.009,601 0.066,602 -0.036,603 0.059,604 -0.003,605 -0.198,606 -0.098,607 -0.243,608 -0.002,609 -0.201,610 0.014,611 0.03,612 0.048,613 0.059,614 -0.045,615 0.055,616 0.053,617 0.076,618 0.178,619 0.156,620 0.098,621 0.193,622 -0.01,623 -0.052,624 -0.006,625 -0.067,626 -0.037,627 -0.046,628 0.004,629 0.02,630 -0.061,631 0.03,632 0.027,633 -0.021,634 2.071,635 5.703,636 0.483,637 30.19,638 1.003,639 1.138,640 2.373,641 5.63,642 0.643,643 3.466,644 3.807,645 4.094,646 4.357,647 4.489,648 4.564,649 4.718,650 4.852,651 4.844,652 4.875,653 7.02,654 0.611,655 398.53,656 3.466,657 5.017,658 5.878,659 6.77,660 7.651,661 8.551,662 9.443,663 10.348,664 11.247,665 12.154,666 7.1,669 1,673 2,674 1,681 3,683 1,686 7,688 11,694 1,704 1,705 56,706 14,707 1,708 31,710 58,711 22,712 10,713 3,714 3,715 4,717 3,718 4,721 4,729 14,730 8,733 3,737 2,738 1,740 3,744 1,745 1,747 27,748 6,749 3,750 7,755 4,760 0.667,761 2,775 1,778 2,779 1,782 1,790 1,795 1,796 1,800 1,803 2,807 4,809 1,811 29,817 4,818 2,822 1,832 1,833 3.6,836 2,841 16.167,842 11.26,843 6.528,844 3.655,847 2.844,848 1.383,849 0.973,850 6.557,851 10.273,852 3.701,853 4.287,854 4.865,855 5.431,856 5.869,857 6.183,858 6.595,859 7.004,860 7.275,861 7.594,862 0.875,863 46,864 10.811,865 4.602,866 7.92,867 20.383,868 16.46,869 2.42,870 70.167,873 1,874 282.506,875 121.171,876 55.931,878 50.29,879 14.96,881 121.171,882 332.796,883 70.891,884 35.301,885 44.444,886 37.905,887 59.699,888 44.53,889 20.474,890 282.506,892 282.506,893 177.103,894 65.25,897 226.84,898 120.916,900 99.655,901 67.972,902 9.476,904 297.467,905 106.221,906 121.171,909 282.506,910 47.966,911 76.33,912 52.807,913 65.25,914 282.506,915 121.181,916 121.171,918 0.584,919 0.356,920 0.187,921 0.091,922 20,923 11,924 0.121,925 7,926 1,927 1.143,928 3.936,929 249.067,930 0.143,931 14,932 136.881,936 21.284,937 8.934,938 4.439,940 104.396,941 4.197,943 3.187,946 3.428,948 52.807,949 524.859,950 39.5,954 25.049,955 1.676,957 -0.06,960 56.178,961 63.734,962 0.273,963 0.625,964 0.798,965 0.874,966 0.874,967 0.874,968 4.961,969 1.64,970 5.889,971 5.105,972 4.489,973 4.973,974 1.863,975 6.739,976 4.434,977 6.182,978 1.413,979 7.482,980 4.754,981 4.205,982 4.924,983 0.325,984 7.735,985 4.139,986 7.509,987 1.042,988 9.173,989 3.88,990 6.125,991 7.166,992 1.868,993 10.853,994 6.031,995 8.873,996 0.787,997 10.921,998 2.355,999 6.648,1000 7.93,1001 0.268,1002 12.69,1003 6.556,1004 10.27,1005 0.618,1006 12.706,1007 2.007,1008 8.072,1009 9.691,1010 1.93,1011 15.345,1012 7.96,1013 11.691,1014 0.177,1015 14.518,1016 0.791,1017 8.958,1018 10.825,1019 0.188,1020 17.53,1021 8.85,1022 13.132,1023 0.066,1024 16.35,1025 0.399,1026 10.206,1027 12.403,1028 2.01,1029 20.027,1030 10.084,1031 3.256,1032 -0.24,1033 18.199,1034 0.124,1035 11.253,1036 13.707,1037 0.125,1038 22.35,1039 11.131,1040 3.145,1041 11.257,1042 20.061,1043 -0.524,1044 12.441,1045 15.209,1046 2.099,1047 24.79,1048 12.309,1049 2.463,1050 10.905,1051 21.933,1052 4.332,1053 13.556,1054 16.591,1055 0.082,1056 27.166,1057 13.42,1058 2.406,1059 7.519,1060 23.814,1061 4.111,1062 14.725,1063 18.063,1064 2.193,1065 29.586,1066 14.58,1067 2.267,1068 6.694,1069 25.702,1070 3.258,1071 15.869,1072 19.48,1073 0.054,1074 31.982,1075 15.718,1076 1.936,1077 6.623,1078 27.595,1079 2.899,1080 17.035,1081 20.939,1082 2.291,1083 34.395,1084 16.874,1085 1.823,1086 5.734,1087 29.493,1088 2.569,1089 18.192,1090 22.374,1091 0.035,1092 36.799,1093 18.022,1094 10241,1095 16865,1096 19.709,1097 36.006,1098 46.73,1099 48.507,1100 49.823,1101 46.081,1102 46.081,1103 58.126,1104 5.833,1105 136.296,1106 44.76,1107 5.545,1108 5.668,1109 6.463,1110 5.284,1111 5.256,1112 7.332,1113 2.117,1114 18.419,1115 5.22,1116 18.634,1117 1.507,1118 1.565,1119 1.607,1120 1.486,1121 1.486,1122 1.875,1123 0.188,1124 4.397,1125 1.444,1126 4.085,1127 4.115,1128 4.05,1129 3.991,1130 8.201,1131 4.001,1132 3.94,1133 3.971,1134 3.904,1135 3.839,1136 7.431,1137 3.85,1138 3.755,1139 3.837,1140 3.619,1141 3.55,1142 7.427,1143 3.555,1144 3.494,1145 3.548,1146 3.44,1147 3.343,1148 4.819,1149 3.357,1150 3.424,1151 3.476,1152 3.311,1153 3.205,1154 4.646,1155 3.21,1156 3.306,1157 3.407,1158 3.04,1159 3.123,1160 4.338,1161 3.089,1162 3.202,1163 3.297,1164 2.998,1165 3.023,1166 4.045,1167 3.002,1168 3.093,1169 3.147,1170 2.944,1171 2.856,1172 3.997,1173 2.88,1174 0.149,1175 0.118,1176 0.221,1177 0.137,1178 0.105,1179 4.619,1180 0.14,1181 3.668,1182 0.034,1183 6.845,1184 0.363,1185 4.245,1186 0.104,1187 3.256,1188 4.332,1189 1.058,1190 11.257,1191 3.22,1192 1.891,1193 1.872,1194 1.969,1195 1.971,1196 1.217,1197 1.971,1198 1.744,1199 1.705,1200 1.963,1201 1.96,1202 1.113,1203 1.965,1204 1.685,1205 1.627,1206 1.845,1207 1.84,1208 1.005,1209 1.836,1210 1.637,1211 1.585,1212 1.792,1213 1.83,1214 0.919,1215 1.823,1216 1.388,1217 1.31,1218 1.725,1219 1.634,1220 0.87,1221 1.657,1222 1.351,1223 1.291,1224 1.697,1225 1.584,1226 0.869,1227 1.638,1228 1.343,1229 1.256,1230 1.545,1231 1.575,1232 0.612,1233 1.558,1234 0.998,1235 0.935,1236 1.258,1237 1.282,1238 0.316,1239 1.283,1240 4.143,1242 5.476,1243 3.045,1244 6.993,1245 5.533,1246 8.595,1247 7.703,1248 10.247,1250 7.856,1252 13.65,1256 3.24,1257 5.705,1261 2.238,1267 34.22,1268 88.722,1269 203.264,1270 259.437,1271 284.192,1272 284.192,1273 284.192,1274 73.893,1275 7.428,1276 80.99,1277 80.99,1278 16,1279 12.673,1280 3.907,1281 3.248,1282 52.559,1283 121,1284 128,1285 0.213,1286 212.57,1287 376.81,1288 510.432,1289 16523,1290 1.8,1291 21.129,1292 0.729,1293 0.596,1294 20.259,1295 17.28,1296 13.85,1297 0.447,1298 0.319,1299 9.741,1300 13.278,1301 9.393,1302 7.849,1303 13.456,1304 9.879,1305 12.455,1306 0.283,1307 0.162,1308 11.821,1309 7.149,1310 10.606,1311 0.18,1312 0.091,1313 10.264,1314 5.365,1315 8.825,1316 0.115,1317 0.048,1318 8.613,1319 3.663,1320 6.317,1321 0.072,1322 0.023,1323 5.988,1324 2.045,1325 0.337,1326 87.002,1327 0.225,1328 27.641,1329 0.58,1330 150,1331 482.226,1332 166.169,1333 440.779,1334 591.42,1335 410,1336 178,1337 427.916,1338 193.084,1339 427.854,1340 628.8,1341 403,1342 6.771}
{0 CHEMBL54283,1 1.541,2 12.886,3 4.183,4 17.493,5 142.346,6 6.996,7 0.282,8 4.346,9 4.47,10 3.98,11 3.91,12 5.257,13 3.844,14 4.965,15 5.157,16 4.306,17 4.351,18 5.988,19 4.265,20 5.248,21 5.471,22 4.337,23 4.521,24 6.2,25 4.399,26 5.339,27 5.583,28 4.231,29 4.52,30 6.255,31 4.371,32 5.279,33 5.547,34 4.234,35 4.445,36 6.136,37 4.297,38 5.212,39 5.455,40 4.284,41 4.427,42 6.131,43 4.306,44 5.241,45 5.479,46 4.295,47 4.449,48 6.28,49 4.335,50 5.266,51 5.491,52 4.294,53 4.489,54 6.219,55 4.359,56 0.095,57 1.078,58 19.463,59 7.392,60 13.544,61 9.713,62 0.376,63 1.812,64 35.153,65 12.559,66 52.717,67 17.222,68 0.403,69 2.219,70 48.505,71 17.169,72 58.85,73 23.158,74 0.468,75 2.281,76 50.38,77 18.051,78 75.161,79 25.158,80 0.457,81 2.145,82 48.124,83 16.947,84 56.798,85 24.134,86 0.445,87 2.073,88 45.591,89 16.036,90 54.774,91 22.428,92 0.602,93 2.119,94 45.264,95 15.6,96 106.612,97 22.369,98 0.535,99 2.23,100 47.15,101 16.125,102 66.765,103 22.551,104 28,105 57,106 0.241,107 0.545,108 0.753,109 0.821,110 0.856,111 0.856,112 3.589,113 1.119,114 -3.84,115 -3.8,116 -3.61,118 38,119 1,120 6,123 1,124 6,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 1,172 7,173 12,176 1,177 9,182 7,184 13,188 7,193 3,195 14,200 6,203 1,204 1,205 2,208 14,213 7,216 3,218 3,221 10,224 2,225 7,230 5,233 9,237 8,240 2,242 2,245 7,248 1,249 7,252 2,254 1,257 6,260 2437,261 23.565,262 23.565,263 23.565,264 23.565,265 23.565,266 21.72,267 29.558,268 13.506,269 24.309,270 19.158,271 19.158,272 19.158,273 19.158,274 19.158,275 15.936,276 32.515,277 6.332,278 20.163,279 4.609,280 2.663,281 1.331,282 0.895,283 0.669,284 0.669,285 4.293,289 1,290 982,291 4.062,293 146.271,294 292.5,297 278.565,301 1.953,302 38.992,305 1,306 0.83,307 1,308 1,309 1,310 1,311 1,312 0.98,313 75,314 451,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.215,324 4.589,325 3.657,326 6.786,327 4.19,328 3.224,329 4.294,330 1.058,331 11.195,332 3.095,333 4.44,334 3.37,335 6.683,336 4.065,337 3.095,338 4.029,339 0.8,340 10.8,341 2.821,342 3.687,343 2.944,344 5.615,345 3.539,346 2.618,347 3.084,348 0.8,349 7.277,350 2.411,351 3.619,352 2.889,353 5.433,354 3.271,355 2.282,356 2.66,358 7.152,359 2.252,360 3.431,361 2.587,362 5.409,363 3.117,364 2.136,365 2.613,367 6.552,368 2.106,369 3.16,370 2.501,371 4.911,372 3.014,373 2.079,374 2.313,376 5.697,377 1.923,378 3.095,379 2.439,380 4.886,381 2.783,382 1.809,383 2.19,385 5.399,386 1.753,387 3.031,388 2.094,389 4.839,390 2.634,391 1.669,392 2.105,394 5.1,395 1.606,396 2.952,397 1.835,398 4.685,399 2.516,400 1.527,401 2.071,403 4.475,404 1.494,405 2.519,406 1.504,407 3.859,408 2.365,409 1.37,410 1.489,411 3.117,412 1.362,413 2.371,414 1.371,415 3.613,416 2.269,417 1.281,418 1.325,419 2.906,420 1.264,421 2.271,422 1.146,423 3.579,424 1.967,425 1,426 1.168,427 2.275,428 0.965,429 2,430 1.097,431 3.414,432 1.839,433 0.844,434 1,435 2.202,436 0.837,437 1.777,438 0.989,439 3.279,440 1.65,441 0.673,442 0.731,443 1.671,444 0.656,445 16.933,446 0.484,447 0.991,448 0.028,449 39.25,450 1.121,451 16.5,452 0.471,453 22.75,454 0.65,455 38.929,456 1.112,457 39.467,458 0.556,459 31.186,460 0.891,461 6.861,462 0.196,463 9.992,464 0.285,465 0.118,466 0.049,467 0.313,471 0.604,472 1.417,473 0.896,474 1.231,475 0.579,476 1.057,477 0.776,478 1.098,479 0.951,480 0.989,481 0.498,482 0.944,483 0.982,484 1.04,485 1.099,486 1.088,487 0.833,488 1.028,489 1.056,490 1.033,491 0.954,492 0.991,493 1.048,494 1.067,495 0.719,496 0.916,497 0.743,498 0.863,499 0.707,500 0.896,501 0.704,502 1.04,503 0.823,504 0.996,505 0.727,506 0.955,507 0.876,508 1.006,509 0.787,510 0.882,511 0.812,512 0.936,513 1.113,514 1.116,515 1.054,516 1.046,517 1.039,518 1.124,519 8,520 0.312,521 4.889,522 2.965,523 1.578,524 1.386,525 1.133,526 0.675,527 0.416,528 0.47,529 18065,530 40404,531 2.099,532 50.7,533 8,534 19,537 2,538 2,539 5,542 1.771,543 1.953,544 3.61,545 0.162,550 109.378,551 1.541,552 3.487,553 4.819,554 5.255,555 5.481,556 5.481,557 3.106,558 4.786,559 5.098,560 3.793,561 2256.86,562 8.977,563 34973.9,568 436.632,569 1.566,570 5.051,571 0.205,572 0.008,573 0.086,574 0.051,575 0.032,576 0.028,577 0.021,578 0.012,579 0.008,580 0.01,581 0.461,582 0.33,583 0.75,584 0.841,585 188.43,586 0.069,587 -0.13,588 0.187,589 -0.017,590 -0.076,591 0.036,592 0.093,593 0.066,594 0.053,595 0.069,596 0.188,597 0.074,598 -0.069,599 0.026,600 -0.074,601 -0.036,602 0.035,603 -0.015,604 -0.106,605 -0.054,606 -0.074,607 -0.046,608 -0.054,609 -0.078,610 0.075,611 0.043,612 0.139,613 0.074,614 0.039,615 0.095,616 0.135,617 -0.03,618 0.1,619 -0.019,620 0.062,621 0.046,622 0.108,623 -0.004,624 0.071,625 0.04,626 0.168,627 0.045,628 -0.079,629 -0.056,630 -0.126,631 -0.087,632 -0.065,633 -0.147,634 4.269,635 5.914,636 0.686,637 38.947,638 0.994,639 1.129,640 2.607,641 6.799,642 0.651,643 3.689,644 4.06,645 4.357,646 4.625,647 4.875,648 5.004,649 5.209,650 5.384,651 5.451,652 5.598,653 7.51,654 0.603,655 496.74,656 3.689,657 5.263,658 6.133,659 7.034,660 7.926,661 8.832,662 9.732,663 10.642,664 11.548,665 12.461,666 5.6,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 71,706 15,707 1,708 39,710 75,711 27,712 10,713 3,714 3,715 3,717 5,718 7,721 1,724 4,727 6,729 13,730 14,733 4,736 1,737 3,738 1,740 2,747 36,748 6,749 2,750 8,751 1,755 4,760 0.6,761 3,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 2,803 3,805 1,807 2,811 35,814 1,817 12,818 1,822 2,833 4.2,836 3,841 17.917,842 13.15,843 7.542,844 4.783,847 3.064,848 1.358,849 1.011,850 7.115,851 11.612,852 3.902,853 4.508,854 5.047,855 5.585,856 6.094,857 6.5,858 6.945,859 7.345,860 7.631,861 8.005,862 0.889,863 58,864 13.3,865 6.013,866 7.669,867 25.869,868 22.618,869 2.169,870 75.917,874 400.217,875 115.076,876 41.045,878 69.458,880 6.046,881 109.03,882 469.675,883 41.045,884 17.222,885 44.646,886 43.951,887 74.163,888 40.084,889 5.513,890 400.217,892 400.217,893 150.075,894 69.458,895 6.046,897 341.362,898 128.313,900 76.506,901 64.093,902 15.522,904 400.217,905 110.503,906 115.076,908 6.046,909 400.217,910 53.903,911 61.375,912 34.796,913 69.458,914 400.217,915 110.503,916 115.076,918 0.593,919 0.352,920 0.18,921 0.1,922 29,923 13,924 0.093,925 7,926 2,927 1.167,928 4.49,929 344.96,930 0.167,931 24,932 171.525,935 1,936 24.609,937 10.119,938 5.092,940 93.717,941 4.93,943 3.636,946 6.682,948 34.796,949 625.796,950 48.5,953 -3.352,954 37.841,955 1.951,957 0.356,960 70.603,961 80.185,962 0.251,963 0.567,964 0.784,965 0.855,966 0.891,967 0.891,968 5.192,969 1.809,970 6.159,971 5.697,972 4.745,973 5.196,974 3.116,975 7.034,976 4.653,977 6.419,978 1.669,979 7.766,980 5.399,981 4.511,982 5.316,983 0.57,984 8.214,985 4.316,986 7.774,987 1.527,988 9.482,989 5.1,990 6.441,991 7.477,992 5.049,993 11.273,994 6.238,995 9.172,996 1.37,997 11.264,998 4.475,999 7.031,1000 8.443,1001 0.479,1002 13.282,1003 6.719,1004 10.609,1005 1.281,1006 13.09,1007 3.117,1008 8.472,1009 10.16,1010 7.187,1011 15.924,1012 8.145,1013 12.074,1014 1,1015 14.947,1016 2.906,1017 9.413,1018 11.458,1019 0.346,1020 18.234,1021 8.994,1022 13.56,1023 0.844,1024 16.827,1025 2.275,1026 10.685,1027 13.037,1028 9.348,1029 20.757,1030 10.236,1031 3.397,1032 0.673,1033 18.725,1034 2.202,1035 11.774,1036 14.465,1037 0.237,1038 23.174,1039 11.251,1040 3.224,1041 12.389,1042 20.636,1043 1.671,1044 12.987,1045 15.999,1046 11.511,1047 25.664,1048 12.425,1049 3.095,1050 11.195,1051 22.557,1052 4.71,1053 14.137,1054 17.479,1055 0.158,1056 28.122,1057 13.512,1058 2.618,1059 10.8,1060 24.487,1061 4.294,1062 15.334,1063 19.002,1064 13.675,1065 30.605,1066 14.663,1067 2.282,1068 7.277,1069 26.424,1070 4.029,1071 16.509,1072 20.506,1073 0.104,1074 33.08,1075 15.782,1076 2.136,1077 7.152,1078 28.366,1079 3.084,1080 17.702,1081 22.027,1082 15.838,1083 35.565,1084 16.927,1085 2.079,1086 6.552,1087 30.312,1088 2.66,1089 18.889,1090 23.543,1091 0.068,1092 38.049,1093 18.062,1094 17032,1095 25799,1096 25.948,1097 46.216,1098 59.259,1099 62.283,1100 61.442,1101 59.161,1102 59.026,1103 72.683,1104 11.217,1105 178.049,1106 56.488,1107 5.855,1108 7.244,1109 6.975,1110 5.365,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.215,1116 18.109,1117 1.519,1118 1.597,1119 1.575,1120 1.517,1121 1.513,1122 1.864,1123 0.288,1124 4.565,1125 1.448,1126 4.15,1127 4.164,1128 4.741,1129 4.132,1130 7.714,1131 4.07,1132 4.043,1133 4.05,1134 4.049,1135 3.977,1136 7.429,1137 3.952,1138 3.85,1139 3.927,1140 3.864,1141 3.746,1142 6.999,1143 3.698,1144 3.816,1145 3.81,1146 3.726,1147 3.646,1148 4.831,1149 3.654,1150 3.577,1151 3.645,1152 3.427,1153 3.451,1154 4.682,1155 3.433,1156 3.455,1157 3.525,1158 3.332,1159 3.31,1160 4.404,1161 3.3,1162 3.328,1163 3.382,1164 3.219,1165 3.153,1166 4.107,1167 3.156,1168 3.168,1169 3.271,1170 2.972,1171 2.947,1172 4.031,1173 2.931,1174 0.124,1175 0.134,1176 0.187,1177 0.11,1178 0.087,1179 4.855,1180 0.121,1181 5.244,1182 0.076,1183 7.294,1184 0.318,1185 4.298,1186 0.082,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.215,1192 1.985,1193 2.002,1194 2.059,1195 2.037,1196 1.412,1197 2.077,1198 1.875,1199 1.835,1200 2.014,1201 2.027,1202 1.339,1203 2.041,1204 1.801,1205 1.736,1206 1.978,1207 1.984,1208 1.296,1209 2.004,1210 1.721,1211 1.689,1212 1.874,1213 1.866,1214 1.187,1215 1.877,1216 1.608,1217 1.581,1218 1.786,1219 1.75,1220 1.017,1221 1.789,1222 1.5,1223 1.447,1224 1.687,1225 1.703,1226 0.863,1227 1.703,1228 1.272,1229 1.213,1230 1.543,1231 1.53,1232 0.825,1233 1.518,1234 1.182,1235 1.099,1236 1.513,1237 1.448,1238 0.71,1239 1.466,1240 4.369,1242 5.727,1243 3.045,1244 7.273,1245 5.533,1246 8.901,1247 7.719,1248 10.572,1250 3.821,1256 12.214,1257 2.909,1261 4.929,1267 42.846,1268 109.378,1269 247.551,1270 342.129,1271 373.122,1272 389.122,1273 389.122,1274 73.52,1275 8.548,1276 89.27,1277 97.65,1278 28,1279 12.976,1280 4,1281 3.392,1282 52.006,1283 153,1284 190,1285 0.16,1286 262.602,1287 462.46,1288 632.508,1289 71047,1291 24.579,1292 0.702,1293 0.618,1294 24.829,1295 21.639,1296 16.853,1297 0.432,1298 0.373,1299 12.895,1300 15.477,1301 12.418,1302 10.222,1303 17.674,1304 14.544,1305 15.813,1306 0.277,1307 0.216,1308 17.189,1309 12.331,1310 13.609,1311 0.177,1312 0.123,1313 14.748,1314 9.474,1315 10.901,1316 0.108,1317 0.064,1318 11.51,1319 6.458,1320 9.132,1321 0.07,1322 0.037,1323 9.667,1324 4.806,1325 0.251,1326 113.029,1327 0.196,1328 32.032,1329 0.443,1330 192,1331 486.023,1332 242.452,1333 491.574,1334 673.1,1335 456,1336 230,1337 472.084,1338 285.374,1339 512.234,1340 753.87,1341 482,1342 7.523}
{0 CHEMBL553,1 1.568,2 11.345,3 4.31,4 18.575,5 110.749,6 7.567,7 0.548,8 4.05,9 4.152,10 3.627,11 3.526,12 5.216,13 3.534,14 4.559,15 4.716,16 3.895,17 3.835,18 5.642,19 3.833,20 4.683,21 4.845,22 3.989,23 3.966,24 5.793,25 3.938,26 4.733,27 4.933,28 3.953,29 3.987,30 5.768,31 3.933,32 4.809,33 5.016,34 3.978,35 3.993,36 5.841,37 3.949,38 4.756,39 4.929,40 4.008,41 4.017,42 5.839,43 3.974,44 4.81,45 5.008,46 3.969,47 4.04,48 5.839,49 3.981,50 4.868,51 5.089,52 3.861,53 3.961,54 5.891,55 3.89,56 0.054,57 0.714,58 10.332,59 4.677,60 11.647,61 5.733,62 0.454,63 1.069,64 20.708,65 7.197,66 33.876,67 8.665,68 0.65,69 1.236,70 23.177,71 8.149,72 39.845,73 10.493,74 0.305,75 1.325,76 24.251,77 9.042,78 32.353,79 12.318,80 0.58,81 1.335,82 27.897,83 9.386,84 47.402,85 12.503,86 0.618,87 1.309,88 25.009,89 9.121,90 42.197,91 11.875,92 0.375,93 1.41,94 26.398,95 9.44,96 37.479,97 12.731,98 0.676,99 1.381,100 30.36,101 9.574,102 54.708,103 12.892,104 31,105 40,106 0.261,107 0.608,108 0.734,109 0.816,110 0.822,111 0.828,112 3.408,113 0.881,114 -4.13,115 -4.08,116 -3.86,118 42.3,123 2,124 4,136 1,137 1,138 6,139 2,140 3,142 1,143 1,144 1,163 7,166 1,167 5,170 1,172 3,173 8,176 3,177 5,182 3,184 6,187 1,188 4,191 1,193 3,195 4,199 2,200 4,203 1,205 1,208 5,212 3,213 7,216 1,221 6,224 1,225 6,233 5,236 2,237 6,240 1,245 3,248 2,249 5,252 1,257 1,260 1486,261 20.231,262 20.231,263 20.231,264 20.231,265 20.231,266 18.156,267 25.355,268 12.658,269 21.081,270 15.244,271 15.244,272 15.244,273 15.244,274 15.244,275 11.96,276 33.398,277 5.909,278 16.407,279 4.133,280 2.047,281 1.289,282 0.798,283 0.76,284 0.721,285 4.097,288 1,289 1,290 682,291 3.674,294 246.825,298 132.191,301 1.874,302 25.957,305 1,306 0.83,307 0.83,308 0.8,309 0.5,310 1,311 1,312 0.85,313 63.5,314 329,315 4.576,316 3.304,317 6.586,318 4.1,319 3.136,320 4.513,321 0.86,322 10.539,323 3.024,324 4.143,325 3.021,326 6.058,327 3.703,328 2.742,329 3.734,330 0.86,331 8.765,332 2.658,333 3.986,334 2.877,335 5.609,336 3.548,337 2.592,338 3.488,339 0.86,340 7.719,341 2.446,342 3.608,343 2.47,344 5.22,345 3.101,346 2.143,347 2.885,348 0.86,349 6.393,350 2.053,351 3.385,352 2.413,353 4.889,354 2.865,355 1.923,356 2.648,357 0.4,358 5.548,359 1.814,360 3.041,361 2.207,362 4.525,363 2.663,364 1.762,365 2.233,367 4.576,368 1.568,369 2.914,370 2.059,371 3.977,372 2.505,373 1.618,374 1.891,376 3.444,377 1.426,378 2.818,379 1.888,380 3.619,381 2.411,382 1.492,383 1.789,385 3.079,386 1.361,387 2.628,388 1.506,389 3.536,390 2.221,391 1.285,392 1.631,394 2.753,395 1.213,396 2.615,397 1.335,398 3.495,399 2.144,400 1.202,401 1.513,403 2.621,404 1.113,405 2.511,406 1.278,407 3.163,408 1.633,409 0.757,410 0.885,411 1.559,412 0.658,413 1.926,414 1.081,415 2.853,416 1.539,417 0.705,418 0.853,419 1.184,420 0.584,421 1.758,422 0.574,423 2.832,424 1.43,425 0.431,426 0.731,427 0.629,428 0.43,429 1.433,430 0.527,431 2.673,432 1.114,433 0.201,434 0.233,435 0.434,436 0.182,437 1.182,438 0.247,439 2.599,440 0.824,441 -0.088,442 -0.107,443 -0.191,444 -0.08,445 13.533,446 0.467,447 0.427,448 0.015,449 38.5,450 1.328,451 19.5,452 0.672,453 19,454 0.655,455 21.738,456 0.75,457 31.467,458 0.605,459 30.457,460 1.05,461 8.161,462 0.281,463 6.084,464 0.21,465 0.111,467 0.259,471 0.923,472 1.4,473 0.769,474 1.227,475 0.863,476 1.008,477 1.614,478 0.873,479 1.004,480 0.778,481 1.214,482 0.78,483 1.081,484 1.08,485 0.991,486 0.912,487 0.945,488 0.93,489 0.759,490 1.194,491 0.883,492 1.117,493 0.815,494 1.036,495 1.124,496 0.903,497 0.918,498 0.847,499 0.994,500 0.843,501 0.964,502 1.081,503 0.995,504 1.025,505 0.938,506 1.021,507 0.957,508 1.159,509 1.039,510 1.121,511 0.893,512 1.088,513 1.258,514 0.925,515 1.137,516 0.942,517 1.129,518 0.997,519 4.5,520 0.128,521 2.222,522 1.438,523 1.56,524 0.792,525 0.586,526 0.46,527 0.303,528 0.208,529 9971,530 28979,531 2.053,532 44.2,534 20,535 1,536 1,537 1,542 1.725,543 1.955,544 3.483,545 -0.336,547 1,550 81.519,551 1.568,552 3.653,553 4.412,554 4.902,555 4.941,556 4.979,557 2.957,558 4.858,559 4.82,560 3.63,561 1473.82,562 8.434,563 20207.6,565 1,567 1,568 296.423,569 1.233,570 4.804,571 0.145,572 0.006,573 0.056,574 0.033,575 0.038,576 0.019,577 0.014,578 0.011,579 0.009,580 0.007,581 0.338,582 0.33,583 1,584 1.643,585 147.354,586 -0.043,587 -0.249,588 0.065,589 -0.167,590 -0.038,591 -0.05,592 -0.245,593 0.169,594 -0.022,595 0.2,596 -0.18,597 0.137,598 0.081,599 -0.023,600 -0.039,601 0.074,602 0.011,603 0.006,604 0.037,605 -0.145,606 0.045,607 -0.125,608 0.031,609 -0.055,610 -0.023,611 0.095,612 0.075,613 0.121,614 -0.007,615 0.116,616 0.115,617 -0.045,618 -0.046,619 -0.03,620 0.02,621 -0.066,622 -0.071,623 -0.104,624 -0.1,625 -0.144,626 -0.036,627 -0.126,628 -0.098,629 0.065,630 -0.119,631 -0.004,632 -0.084,633 -0.054,634 1.108,635 2.357,636 0.552,637 32.749,638 1.009,639 1.125,640 2.902,641 8.423,642 0.662,643 3.466,644 3.714,645 3.97,646 4.234,647 4.511,648 4.625,649 4.771,650 4.905,651 5.017,652 5.017,653 6.746,654 0.638,655 393.48,656 3.466,657 4.963,658 5.79,659 6.645,660 7.502,661 8.374,662 9.245,663 10.126,664 11.004,665 11.891,666 5.8,674 1,676 2,680 2,681 7,682 2,686 5,688 17,699 1,703 2,705 52,706 18,707 2,708 31,710 54,711 22,712 14,713 6,714 6,717 3,718 4,728 2,729 14,730 6,744 1,747 23,748 7,749 1,750 7,755 3,760 0.667,761 4,774 1,779 3,783 1,786 1,787 1,802 2,803 2,807 2,811 29,817 4,818 1,819 4,825 1,826 1,831 1,833 7.7,837 2,838 2,841 14.833,842 9.983,843 6.833,844 2.831,847 3.591,848 1.479,849 0.947,850 7.655,851 11.095,852 3.75,853 4.29,854 4.907,855 5.513,856 6.139,857 6.469,858 6.901,859 7.309,860 7.738,861 7.937,862 0.875,863 43,864 10.624,865 4.252,866 7.73,867 20.11,868 15.342,869 2.23,870 64.667,872 1,873 1,874 258.964,875 169.438,876 51.582,878 44,881 169.438,882 302.964,883 51.582,884 21.766,885 18.37,886 56.857,887 67.342,888 69.775,889 54.451,890 235.422,892 258.964,893 221.02,894 44,897 258.964,898 22,899 22,900 47.143,901 123.275,902 50.602,904 258.964,905 95.581,906 169.438,909 258.964,910 41.844,911 87.242,912 35.041,913 100.892,914 258.964,915 95.581,916 169.438,918 0.546,919 0.316,920 0.175,921 0.103,922 16,923 7,924 0.185,925 10,926 1,927 1.125,928 4.043,929 244.412,930 0.125,931 16,932 138.881,936 20.879,937 10.632,938 5.582,939 1.521,940 95.581,941 12.758,942 8.754,946 3.434,948 18.011,949 523.983,950 41.5,960 52.451,961 58.485,962 0.275,963 0.641,964 0.774,965 0.86,966 0.867,967 0.873,968 4.951,969 1.492,970 5.727,971 3.444,972 4.394,973 4.977,974 1.979,975 6.491,976 4.274,977 6.134,978 1.285,979 7.245,980 3.079,981 3.761,982 4.691,984 7.298,985 3.644,986 7.424,987 1.202,988 8.869,989 2.753,990 5.922,991 7.199,992 1.691,993 10.42,994 5.723,995 8.754,996 0.757,997 10.558,998 2.621,999 6.176,1000 7.819,1002 12.095,1003 5.979,1004 10.121,1005 0.705,1006 12.291,1007 1.559,1008 7.736,1009 9.747,1010 1.446,1011 14.709,1012 7.478,1013 11.514,1014 0.431,1015 14.053,1016 1.184,1017 8.432,1018 10.803,1020 16.752,1021 8.162,1022 12.928,1023 0.201,1024 15.837,1025 0.629,1026 9.732,1027 12.484,1028 1.222,1029 19.187,1030 9.415,1031 3.136,1032 -0.088,1033 17.637,1034 0.434,1035 10.649,1036 13.76,1038 21.394,1039 10.308,1040 2.742,1041 10.539,1042 19.449,1043 -0.191,1044 11.838,1045 15.333,1046 1.019,1047 23.766,1048 11.458,1049 2.592,1050 8.765,1051 21.27,1052 4.513,1053 12.863,1054 16.721,1056 26.047,1057 12.452,1058 2.143,1059 7.719,1060 23.1,1061 3.734,1062 14.007,1063 18.248,1064 0.837,1065 28.399,1066 13.561,1067 1.923,1068 6.393,1069 24.937,1070 3.488,1071 15.084,1072 19.693,1074 30.715,1075 14.604,1076 1.762,1077 5.548,1078 26.779,1079 2.885,1080 16.214,1081 21.202,1082 0.677,1083 33.061,1084 15.699,1085 1.618,1086 4.576,1087 28.626,1088 2.648,1089 17.317,1090 22.675,1092 35.394,1093 16.767,1094 9964,1095 17099,1096 20.86,1097 34.449,1098 45.202,1099 45.105,1100 45.844,1101 43.943,1102 43.976,1103 58.054,1104 7.68,1105 118.489,1106 41.063,1107 5.452,1108 5.304,1109 6.497,1110 5.178,1111 5.136,1112 7.513,1113 1.72,1114 17.476,1115 5.024,1116 12.953,1117 1.458,1118 1.455,1119 1.479,1120 1.418,1121 1.419,1122 1.873,1123 0.248,1124 3.822,1125 1.325,1126 4.079,1127 4.107,1128 4.053,1129 3.979,1130 5.448,1131 3.993,1132 3.896,1133 3.921,1134 3.845,1135 3.843,1136 5.1,1137 3.84,1138 3.614,1139 3.652,1140 3.52,1141 3.37,1142 4.78,1143 3.399,1144 3.555,1145 3.597,1146 3.404,1147 3.297,1148 4.671,1149 3.312,1150 3.386,1151 3.432,1152 3.282,1153 3.202,1154 4.66,1155 3.208,1156 3.244,1157 3.285,1158 3.173,1159 3.135,1160 4.566,1161 3.144,1162 3.135,1163 3.21,1164 2.99,1165 2.903,1166 4.327,1167 2.915,1168 3.071,1169 3.163,1170 2.875,1171 2.825,1172 4.091,1173 2.816,1174 0.148,1175 0.107,1176 0.212,1177 0.132,1178 0.101,1179 4.576,1180 0.146,1181 3.304,1182 0.028,1183 6.586,1184 0.34,1185 4.1,1186 0.098,1187 3.136,1188 4.513,1189 0.86,1190 10.539,1191 3.024,1192 2.008,1193 1.986,1194 2.063,1195 2.127,1196 1.189,1197 2.108,1198 1.892,1199 1.87,1200 1.986,1201 1.969,1202 1.065,1203 1.977,1204 1.514,1205 1.471,1206 1.763,1207 1.79,1208 0.979,1209 1.778,1210 1.482,1211 1.432,1212 1.763,1213 1.772,1214 0.971,1215 1.767,1216 1.31,1217 1.265,1218 1.527,1219 1.553,1220 0.561,1221 1.536,1222 1.233,1223 1.195,1224 1.509,1225 1.416,1226 0.557,1227 1.446,1228 1.105,1229 1.021,1230 1.416,1231 1.371,1232 0.418,1233 1.395,1234 1.075,1235 0.978,1236 1.367,1237 1.327,1238 0.225,1239 1.351,1240 4.143,1242 5.407,1244 6.882,1246 8.468,1248 10.116,1250 3.25,1256 1.726,1257 3.3,1258 21.802,1264 5.494,1266 2.629,1267 33.191,1268 81.519,1269 189.959,1270 229.403,1271 254.913,1272 256.913,1273 258.913,1274 45.889,1275 7.504,1276 74.73,1277 74.73,1278 18,1279 12.425,1280 4.248,1281 3.524,1282 52.144,1283 114,1284 130,1285 0.222,1286 206.716,1287 361.14,1288 496.146,1289 18053,1291 20.476,1292 0.706,1293 0.568,1294 20.476,1295 16.475,1296 14.245,1297 0.46,1298 0.294,1299 8.897,1300 13.453,1301 8.657,1302 7.212,1303 14.245,1304 9.108,1305 11.641,1306 0.291,1307 0.152,1308 11.641,1309 6.071,1310 9.67,1311 0.186,1312 0.079,1313 9.67,1314 4.083,1315 7.984,1316 0.117,1317 0.039,1318 7.984,1319 2.683,1320 6.697,1321 0.074,1322 0.02,1323 6.697,1324 1.816,1325 0.345,1326 91.017,1327 0.219,1328 27.527,1329 0.619,1330 142,1331 484.565,1332 159.12,1333 452.573,1334 611.63,1335 428,1336 163,1337 431.547,1338 180.455,1339 439.29,1340 635.11,1341 408,1342 5.658}
{0 CHEMBL554,1 1.816,2 17.4,3 6.255,4 39.126,5 152.448,6 8.805,7 0.636,8 4.306,9 4.395,10 4.109,11 3.908,12 5.446,13 3.881,14 4.829,15 4.958,16 4.397,17 4.268,18 6.123,19 4.239,20 5.076,21 5.243,22 4.42,23 4.346,24 6.269,25 4.299,26 5.076,27 5.278,28 4.34,29 4.305,30 6.187,31 4.234,32 5.025,33 5.23,34 4.277,35 4.306,36 6.114,37 4.221,38 4.952,39 5.129,40 4.381,41 4.311,42 6.078,43 4.24,44 4.986,45 5.172,46 4.433,47 4.32,48 6.18,49 4.243,50 4.938,51 5.12,52 4.341,53 4.213,54 6.171,55 4.146,56 0.16,57 1.011,58 12.31,59 6.42,60 21.401,61 6.763,62 0.486,63 1.617,64 26.002,65 10.989,66 63.858,67 11.764,68 0.911,69 1.929,70 36.244,71 13.271,72 105.739,73 14.463,74 0.861,75 1.894,76 37.427,77 13.509,78 86.989,79 16.077,80 0.9,81 1.805,82 40.185,83 13.57,84 93.378,85 16.058,86 0.663,87 1.655,88 29.907,89 12.198,90 64.253,91 14.715,92 0.713,93 1.742,94 34.463,95 12.827,96 64.704,97 15.491,98 0.726,99 1.618,100 35.717,101 12.338,102 78.312,103 14.109,104 31,105 62,106 0.283,107 0.622,108 0.804,109 0.906,110 0.906,111 0.906,112 3.717,113 1.011,114 -5.1,115 -5,116 -4.68,118 43.9,123 1,124 4,138 12,139 3,140 4,142 1,143 1,144 1,148 2,163 10,166 2,167 8,170 1,172 3,173 11,177 10,180 1,182 3,184 9,188 8,191 3,193 4,195 8,200 3,203 1,205 2,208 10,212 2,213 5,216 1,218 3,221 13,224 3,225 6,230 4,233 9,237 6,242 2,245 8,248 1,249 6,252 2,253 1,254 1,257 5,260 3850,261 26.703,262 26.703,263 26.703,264 26.703,265 26.703,266 22.984,267 28.108,268 15.708,269 27.495,270 21.775,271 21.775,272 21.775,273 21.775,274 21.775,275 16.106,276 40.3,277 7.533,278 23.138,279 4.229,280 2.048,281 0.875,282 0.224,283 0.224,284 0.224,285 4.421,286 1,289 1,290 1499,291 4.301,293 115.698,294 520.673,298 201.137,301 3.11,302 50.596,305 0.75,306 0.67,307 0.67,308 0.5,309 0.5,310 0.67,311 0.5,312 0.61,313 87.833,314 696,315 4.622,316 5.046,317 6.557,318 4.091,319 3.113,320 4.484,321 2.95,322 10.419,323 3.053,324 4.553,325 3.295,326 6.394,327 3.952,328 3.098,329 4.423,330 1.151,331 9.951,332 2.799,333 4.254,334 3.144,335 6.141,336 3.843,337 2.887,338 3.899,339 0.657,340 9.089,341 2.635,342 4.203,343 2.997,344 6.071,345 3.77,346 2.813,347 3.853,348 0.4,349 8.773,350 2.608,351 4.037,352 2.926,353 5.503,354 3.614,355 2.641,356 3.645,358 7.439,359 2.56,360 3.688,361 2.624,362 5.406,363 3.324,364 2.358,365 3.091,367 7.038,368 2.285,369 3.574,370 2.541,371 5.292,372 3.199,373 2.241,374 2.932,376 6.74,377 2.112,378 3.348,379 2.408,380 5.006,381 2.929,382 1.991,383 2.683,385 5.733,386 1.853,387 3.281,388 2.239,389 4.748,390 2.839,391 1.885,392 2.54,394 5.298,395 1.788,396 2.987,397 2.071,398 4.32,399 2.536,400 1.588,401 2.201,403 4.068,404 1.504,405 2.848,406 1.963,407 4.186,408 2.363,409 1.472,410 1.979,411 3.785,412 1.329,413 2.764,414 1.679,415 4.053,416 2.358,417 1.427,418 1.859,419 3.38,420 1.24,421 2.671,422 1.456,423 3.628,424 2.192,425 1.206,426 1.75,427 2.904,428 1.182,429 2.471,430 1.349,431 3.49,432 2.176,433 1.199,434 1.461,435 2.627,436 1.168,437 2.367,438 1.237,439 3.426,440 1.902,441 0.942,442 1.314,443 2.268,444 0.902,445 19.267,446 0.482,447 1.113,448 0.028,449 56,450 1.4,451 30,452 0.75,453 26,454 0.65,455 33.504,456 0.838,457 42.533,458 0.644,459 46.672,460 1.167,461 11.054,462 0.276,463 8.177,464 0.204,465 0.112,466 0.043,467 0.285,470 1,471 0.647,472 1.128,473 0.688,474 1.073,475 0.623,476 0.875,477 0.858,478 1.063,479 0.966,480 1.127,481 0.602,482 0.949,483 1.253,484 1.062,485 1.009,486 0.989,487 1.243,488 1.028,489 0.982,490 0.95,491 0.884,492 0.885,493 0.783,494 0.97,495 0.95,496 0.822,497 1.089,498 0.878,499 0.811,500 0.926,501 0.713,502 0.876,503 0.769,504 0.874,505 0.661,506 0.953,507 0.708,508 0.976,509 0.962,510 0.935,511 0.532,512 0.95,513 1.046,514 1.077,515 1.104,516 1.056,517 0.899,518 1.046,519 9.5,520 0.247,521 4,522 2.035,523 2.117,524 1.153,525 0.772,526 0.813,527 0.45,528 0.353,529 30303,530 99733,531 2.086,532 39.4,534 23,536 1,537 2,542 1.796,543 1.959,544 4.033,545 0.174,550 119.837,551 1.816,552 3.996,553 5.169,554 5.821,555 5.821,556 5.821,557 3.504,558 4.934,559 5.283,560 4.275,561 3334.52,562 9.312,563 61875.3,568 398.93,569 1.479,570 5.251,571 0.216,572 0.006,573 0.065,574 0.034,575 0.039,576 0.022,577 0.014,578 0.014,579 0.009,580 0.009,581 0.428,582 0.17,583 0.63,584 1.173,585 231.191,586 -0.002,587 -0.083,588 0.11,589 -0.042,590 -0.104,591 0.023,592 -0.003,593 -0.054,594 -0.09,595 -0.114,596 0.145,597 -0.033,598 -0.163,599 -0.09,600 -0.129,601 -0.067,602 -0.176,603 -0.099,604 -0.052,605 -0.031,606 -0.005,607 0.017,608 -0.037,609 0.001,610 -0.045,611 0.137,612 -0.085,613 0.081,614 -0.061,615 0.073,616 0.049,617 -0.014,618 0.078,619 0.042,620 -0.026,621 0.021,622 0.093,623 -0.067,624 0.064,625 0.02,626 0.098,627 0.036,628 -0.04,629 -0.117,630 -0.02,631 -0.1,632 0.012,633 -0.064,634 3.936,635 5.431,636 0.675,637 67.613,638 1.019,639 1.121,640 3.87,641 14.981,642 0.703,643 3.807,644 4.143,645 4.344,646 4.595,647 4.82,648 4.92,649 5.075,650 5.257,651 5.429,652 5.533,653 10.081,654 0.677,655 581.11,656 3.807,657 5.361,658 6.192,659 7.069,660 7.916,661 8.795,662 9.651,663 10.531,664 11.394,665 12.276,666 6.1,668 1,674 1,676 2,680 2,681 13,682 2,684 1,686 9,688 28,699 1,703 1,704 2,705 66,706 30,707 3,708 44,710 70,711 29,712 24,713 8,714 10,717 5,718 6,719 1,729 24,730 5,733 2,736 1,737 2,745 1,746 1,747 26,748 9,749 2,750 11,751 2,755 4,760 0.8,761 4,774 1,778 1,779 4,783 1,799 1,803 4,805 1,807 1,808 1,809 1,811 40,814 1,817 4,818 2,819 1,832 2,833 6.1,836 2,838 2,841 20.417,842 12.102,843 8.569,844 3.666,847 5.393,848 1.607,849 1.012,850 8.671,851 14.284,852 4.111,853 4.769,854 5.28,855 5.87,856 6.415,857 6.737,858 7.187,859 7.696,860 8.193,861 8.511,862 0.917,863 59,864 14.909,865 6.547,866 7.934,867 27.822,868 22.939,869 2.434,870 97.361,874 282.506,875 190.209,876 69.593,877 39.149,878 64.82,879 14.96,880 6.046,881 184.163,882 386.475,883 84.553,884 7.19,885 9.703,886 137.772,887 89.655,888 78.847,889 28.186,890 270.735,891 39.149,892 282.506,893 253.756,894 79.78,895 45.195,897 297.467,898 64.82,900 56.488,901 163.697,902 78.766,904 297.467,905 134.413,906 229.358,908 6.046,909 282.506,910 54.639,911 129.524,912 36.022,913 152.5,914 282.506,915 149.373,916 229.358,918 0.587,919 0.317,920 0.165,921 0.089,922 29,923 13,924 0.157,925 11,926 1,927 1.074,928 5.12,929 384.556,930 0.074,931 27,932 210.877,935 1,936 28.063,937 12.359,938 7.595,939 1.531,940 149.373,941 22.46,942 8.797,944 5.974,946 4.748,948 36.022,949 661.237,950 60,953 -3.019,954 22.593,960 67.232,961 74.017,962 0.3,963 0.661,964 0.855,965 0.963,966 0.963,967 0.963,968 5.347,969 1.991,970 6.196,971 6.74,972 4.828,973 5.457,974 3.102,975 6.991,976 4.715,977 6.587,978 1.885,979 7.747,980 5.733,981 4.511,982 5.46,984 7.978,985 4.281,986 7.923,987 1.588,988 9.397,989 5.298,990 6.45,991 7.761,992 5.052,993 10.949,994 6.229,995 9.296,996 1.472,997 11.105,998 4.068,999 6.909,1000 8.551,1002 12.71,1003 6.57,1004 10.699,1005 1.427,1006 12.85,1007 3.785,1008 8.347,1009 10.36,1010 7.188,1011 15.235,1012 8.009,1013 12.124,1014 1.206,1015 14.619,1016 3.38,1017 9.151,1018 11.502,1020 17.304,1021 8.711,1022 13.564,1023 1.199,1024 16.405,1025 2.904,1026 10.391,1027 13.117,1028 9.348,1029 19.683,1030 9.937,1031 3.113,1032 0.942,1033 18.204,1034 2.627,1035 11.357,1036 14.429,1038 21.884,1039 10.819,1040 3.098,1041 10.419,1042 20.013,1043 2.268,1044 12.516,1045 15.962,1046 11.511,1047 24.214,1048 11.952,1049 2.887,1050 9.951,1051 21.83,1052 4.484,1053 13.558,1054 17.357,1056 26.473,1057 12.927,1058 2.813,1059 9.089,1060 23.653,1061 4.423,1062 14.686,1063 18.857,1064 13.675,1065 28.789,1066 14.023,1067 2.641,1068 8.773,1069 25.482,1070 3.899,1071 15.764,1072 20.294,1074 31.077,1075 15.048,1076 2.358,1077 7.439,1078 27.315,1079 3.853,1080 16.881,1081 21.781,1082 15.838,1083 33.39,1084 16.131,1085 2.241,1086 7.038,1087 29.152,1088 3.645,1089 17.978,1090 23.241,1092 35.693,1093 17.184,1094 28660,1095 52166,1096 29.413,1097 46.421,1098 65.729,1099 68.668,1100 66.391,1101 65.963,1102 65.621,1103 89.227,1104 10.316,1105 188.384,1106 61.69,1107 5.518,1108 7.046,1109 6.203,1110 5.17,1111 5.113,1112 7.484,1113 5.9,1114 17.268,1115 5.053,1116 20.781,1117 1.494,1118 1.561,1119 1.509,1120 1.499,1121 1.491,1122 2.028,1123 0.234,1124 4.281,1125 1.402,1126 4.112,1127 4.135,1128 4.721,1129 4.031,1130 8.201,1131 4.029,1132 3.993,1133 3.968,1134 4.089,1135 3.989,1136 7.715,1137 3.869,1138 3.944,1139 3.959,1140 3.992,1141 3.865,1142 6.999,1143 3.845,1144 3.883,1145 3.898,1146 3.852,1147 3.804,1148 5.124,1149 3.802,1150 3.834,1151 3.848,1152 3.82,1153 3.708,1154 5.008,1155 3.723,1156 3.442,1157 3.508,1158 3.396,1159 3.258,1160 4.963,1161 3.269,1162 3.329,1163 3.389,1164 3.306,1165 3.129,1166 4.661,1167 3.128,1168 3.237,1169 3.284,1170 3.21,1171 3.041,1172 4.422,1173 3.052,1174 0.105,1175 0.115,1176 0.149,1177 0.093,1178 0.071,1179 4.622,1180 0.102,1181 5.046,1182 0.067,1183 6.557,1184 0.237,1185 4.091,1186 0.069,1187 3.113,1188 4.484,1189 2.95,1190 10.419,1191 3.053,1192 2.024,1193 2,1194 2.082,1195 2.128,1196 1.278,1197 2.115,1198 1.907,1199 1.886,1200 2.012,1201 2.007,1202 1.209,1203 2.021,1204 1.845,1205 1.86,1206 1.925,1207 1.952,1208 1.131,1209 2.009,1210 1.831,1211 1.825,1212 1.863,1213 1.928,1214 1.043,1215 1.934,1216 1.58,1217 1.543,1218 1.689,1219 1.758,1220 0.935,1221 1.774,1222 1.475,1223 1.448,1224 1.578,1225 1.652,1226 0.706,1227 1.634,1228 1.254,1229 1.192,1230 1.498,1231 1.466,1232 0.619,1233 1.491,1234 1.189,1235 1.141,1236 1.436,1237 1.436,1238 0.589,1239 1.43,1240 4.489,1242 5.82,1243 2.398,1244 7.324,1245 4.595,1246 8.909,1247 6.581,1248 10.538,1250 1.21,1251 6.467,1252 13.431,1256 1.023,1257 6.374,1258 5.772,1267 44.664,1268 119.837,1269 263.751,1270 341.156,1271 384.175,1272 384.175,1273 384.175,1274 86.039,1275 8.891,1276 106.35,1277 114.73,1278 29,1279 12.815,1280 4.954,1281 4.087,1282 64.222,1283 236,1284 246,1285 0.127,1286 277.749,1287 478.59,1288 669.468,1289 119639,1290 3,1291 28.114,1292 0.703,1293 0.577,1294 27.994,1295 23.098,1296 19.231,1297 0.437,1298 0.337,1299 12.42,1300 17.419,1301 11.923,1302 9.834,1303 20.053,1304 14.834,1305 18.301,1306 0.295,1307 0.192,1308 19.443,1309 11.883,1310 13.964,1311 0.184,1312 0.095,1313 14.461,1314 7.249,1315 11.62,1316 0.119,1317 0.049,1318 11.935,1319 4.777,1320 9.263,1321 0.075,1322 0.025,1323 9.52,1324 3.131,1325 0.208,1326 133.238,1327 0.184,1328 36.86,1329 0.328,1330 212,1331 728.073,1332 279.714,1333 723.579,1334 959.49,1335 670,1336 244,1337 651.272,1338 313.061,1339 690.535,1340 995.65,1341 645,1342 5}
{0 CHEMBL55496,1 1.599,2 12.886,3 2.889,4 8.345,5 138.572,6 7.228,7 0.282,8 4.329,9 4.448,10 3.986,11 3.879,12 5.287,13 3.828,14 4.937,15 5.114,16 4.315,17 4.326,18 6.045,19 4.25,20 5.236,21 5.456,22 4.342,23 4.488,24 6.223,25 4.375,26 5.309,27 5.548,28 4.234,29 4.47,30 6.286,31 4.338,32 5.218,33 5.471,34 4.236,35 4.408,36 6.118,37 4.272,38 5.207,39 5.449,40 4.29,41 4.399,42 6.161,43 4.287,44 5.217,45 5.45,46 4.299,47 4.415,48 6.304,49 4.312,50 5.236,51 5.453,52 4.295,53 4.463,54 6.224,55 4.342,56 0.111,57 1.051,58 18.798,59 6.926,60 19.446,61 9.045,62 0.424,63 1.746,64 32.525,65 12.185,66 63.024,67 16.446,68 0.386,69 2.15,70 47.983,71 16.785,72 66.306,73 22.392,74 0.624,75 2.188,76 49.351,77 16.742,78 91.831,79 23.196,80 0.405,81 2.039,82 44.873,83 16.028,84 56.907,85 22.624,86 0.484,87 2.034,88 45.54,89 15.743,90 64.248,91 21.858,92 0.676,93 2.048,94 44.145,95 14.963,96 119.777,97 21.296,98 0.562,99 2.162,100 45.236,101 15.559,102 71.822,103 21.412,104 28,105 57,106 0.251,107 0.584,108 0.763,109 0.836,110 0.867,111 0.867,112 3.589,113 1.083,114 -2.89,115 -2.89,116 -2.8,118 37.7,120 8,123 1,124 3,126 1,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 4,170 3,172 9,173 13,177 7,182 9,184 13,188 7,191 1,193 5,195 14,200 5,203 1,204 1,205 3,208 14,213 6,216 3,217 1,218 5,221 11,224 2,225 6,228 1,230 5,233 10,237 6,240 2,241 1,242 6,245 11,248 1,249 5,252 1,254 3,257 11,260 2437,261 23.565,262 23.565,263 23.565,264 23.565,265 23.565,266 21.72,267 28.428,268 13.506,269 23.955,270 19.158,271 19.158,272 19.158,273 19.158,274 19.158,275 15.936,276 30.365,277 6.332,278 19.827,279 4.51,280 2.389,281 1.254,282 0.786,283 0.591,284 0.591,285 4.293,289 1,290 982,291 4.062,293 146.271,294 292.5,297 278.565,301 1.953,302 44.45,305 1,306 0.83,307 1,308 1,309 1,310 1,311 1,312 0.98,313 76,314 451,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 1.058,322 12.389,323 3.224,324 4.589,325 3.654,326 6.786,327 4.202,328 3.224,329 4.294,330 0.8,331 11.195,332 3.114,333 4.44,334 3.37,335 6.683,336 4.078,337 3.095,338 4.029,340 10.8,341 2.99,342 3.687,343 2.902,344 5.615,345 3.557,346 2.618,347 3.084,349 7.277,350 2.455,351 3.619,352 2.742,353 5.433,354 3.274,355 2.282,356 2.66,358 7.152,359 2.262,360 3.431,361 2.477,362 5.409,363 3.124,364 2.136,365 2.613,367 6.552,368 2.119,369 3.16,370 2.419,371 4.911,372 3.033,373 2.079,374 2.313,376 5.697,377 1.959,378 3.095,379 2.096,380 4.886,381 2.785,382 1.809,383 2.19,385 5.399,386 1.758,387 3.031,388 1.837,389 4.839,390 2.638,391 1.669,392 2.105,394 5.1,395 1.613,396 2.952,397 1.783,398 4.685,399 2.529,400 1.527,401 2.071,403 4.475,404 1.521,405 2.519,406 1.504,407 3.859,408 2.365,409 1.37,410 1.489,411 3.117,412 1.362,413 2.371,414 1.37,415 3.613,416 2.269,417 1.281,418 1.325,419 2.906,420 1.264,421 2.271,422 1.077,423 3.579,424 1.984,425 1,426 1.168,427 2.275,428 0.983,429 2,430 0.998,431 3.414,432 1.839,433 0.844,434 1,435 2.202,436 0.837,437 1.777,438 0.898,439 3.279,440 1.649,441 0.673,442 0.731,443 1.671,444 0.655,445 16.767,446 0.479,447 0.991,448 0.028,449 39,450 1.114,451 16.5,452 0.471,453 22.5,454 0.643,455 38.5,456 1.1,457 39.633,458 0.574,459 31.616,460 0.903,461 6.832,462 0.195,463 10.02,464 0.286,465 0.109,466 0.05,467 0.322,471 0.679,472 1.362,473 0.875,474 1.214,475 0.668,476 1.014,477 0.651,478 1.12,479 0.877,480 1.001,481 0.514,482 0.991,483 0.925,484 1.096,485 1.059,486 1.101,487 0.784,488 1.02,489 1.091,490 0.976,491 0.972,492 0.931,493 1.056,494 1.033,495 0.626,496 1.002,497 0.747,498 0.934,499 0.648,500 0.96,501 0.668,502 1.027,503 0.799,504 0.985,505 0.701,506 0.944,507 0.815,508 0.988,509 0.775,510 0.862,511 0.775,512 0.925,513 0.999,514 1.089,515 1.054,516 1.05,517 0.93,518 1.141,519 8,520 0.312,521 4.889,522 2.965,523 1.578,524 1.386,525 1.133,526 0.675,527 0.416,528 0.47,529 18065,530 44728,531 2.099,532 49.3,533 8,534 14,537 4,538 2,539 2,540 4,542 1.771,543 1.953,544 3.61,545 1.52,550 110.303,551 1.599,552 3.72,553 4.855,554 5.322,555 5.518,556 5.518,557 3.106,558 4.786,559 5.098,560 3.793,561 2256.86,562 8.977,563 34973.9,568 421.488,569 1.566,570 5.051,571 0.205,572 0.008,573 0.086,574 0.051,575 0.032,576 0.028,577 0.021,578 0.012,579 0.008,580 0.01,581 0.461,582 0.17,583 0.75,584 0.841,585 188.43,586 0.02,587 -0.073,588 0.177,589 0.002,590 -0.099,591 0.062,592 0.158,593 0.039,594 0.051,595 0.043,596 0.185,597 0.027,598 -0.07,599 -0.05,600 -0.048,601 -0.045,602 0.026,603 -0.003,604 -0.121,605 0.009,606 -0.087,607 -0.001,608 -0.078,609 -0.055,610 0.076,611 -0.027,612 0.124,613 0.022,614 0.033,615 0.051,616 0.123,617 -0.027,618 0.116,619 -0.012,620 0.048,621 0.059,622 0.102,623 0.012,624 0.076,625 0.059,626 0.14,627 0.058,628 -0.078,629 -0.02,630 -0.143,631 -0.086,632 -0.067,633 -0.161,634 4.531,635 5.882,636 0.686,637 38.947,638 1.001,639 1.13,640 1.658,641 2.748,642 0.651,643 3.689,644 4.06,645 4.357,646 4.625,647 4.875,648 5.004,649 5.209,650 5.384,651 5.451,652 5.598,653 7.51,654 0.609,655 498.71,656 3.689,657 5.263,658 6.133,659 7.034,660 7.926,661 8.832,662 9.732,663 10.642,664 11.548,665 12.461,666 5.8,668 1,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 69,706 15,707 1,708 39,710 73,711 26,712 10,713 3,714 3,715 3,717 5,718 7,724 7,727 9,729 13,730 13,733 4,736 1,737 3,738 1,740 2,747 34,748 7,749 4,750 9,751 1,755 4,760 0.6,761 4,763 1,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 1,801 1,803 3,805 1,807 1,811 35,815 1,816 1,817 11,818 2,821 1,822 1,833 5.8,834 1,836 3,841 17.917,842 12.233,843 7.542,844 4.492,847 3.064,848 1.358,849 0.989,850 7.088,851 11.612,852 3.902,853 4.508,854 5.047,855 5.585,856 6.094,857 6.5,858 6.945,859 7.345,860 7.631,861 8.005,862 0.889,863 58,864 13.324,865 6.103,866 7.793,867 25.545,868 22.409,869 2.293,870 80.25,874 353.133,875 105.97,876 54.326,878 112.141,880 5.807,881 100.163,882 465.274,883 54.326,884 8.396,885 44.604,886 102.801,887 74.163,888 36.96,889 5.513,890 353.133,892 353.133,893 154.488,894 112.141,895 5.807,897 282.506,898 140.084,899 42.683,900 80.919,901 64.093,902 15.284,904 353.133,905 166.467,906 105.97,908 5.807,909 353.133,910 53.861,911 49.426,912 51.201,913 112.141,914 353.133,915 166.467,916 105.97,918 0.593,919 0.352,920 0.18,921 0.1,922 29,923 13,924 0.096,925 7,926 2,927 1.167,928 4.49,929 344.96,930 0.167,931 24,932 173.525,935 1,936 24.572,937 10.095,938 5.077,940 149.681,941 4.721,943 3.597,946 6.277,948 93.885,949 625.57,950 48.5,953 -3.615,954 37.564,955 1.905,957 0.266,960 69.047,961 77.979,962 0.262,963 0.609,964 0.795,965 0.871,966 0.903,967 0.903,968 5.192,969 1.809,970 6.159,971 5.697,972 4.745,973 5.196,974 1.435,975 7.034,976 4.679,977 6.419,978 1.669,979 7.766,980 5.399,981 4.511,982 5.316,983 0.325,984 8.214,985 4.378,986 7.774,987 1.527,988 9.482,989 5.1,990 6.441,991 7.477,992 1.379,993 11.273,994 6.294,995 9.172,996 1.37,997 11.264,998 4.475,999 7.031,1000 8.443,1001 0.268,1002 13.282,1003 6.81,1004 10.609,1005 1.281,1006 13.09,1007 3.117,1008 8.472,1009 10.16,1010 1.406,1011 15.924,1012 8.234,1013 12.074,1014 1,1015 14.947,1016 2.906,1017 9.413,1018 11.458,1019 0.188,1020 18.234,1021 9.108,1022 13.56,1023 0.844,1024 16.827,1025 2.275,1026 10.685,1027 13.037,1028 1.462,1029 20.757,1030 10.351,1031 3.397,1032 0.673,1033 18.725,1034 2.202,1035 11.774,1036 14.465,1037 0.125,1038 23.174,1039 11.381,1040 3.224,1041 12.389,1042 20.636,1043 1.671,1044 12.987,1045 15.999,1046 1.533,1047 25.664,1048 12.559,1049 3.095,1050 11.195,1051 22.557,1052 4.71,1053 14.137,1054 17.479,1055 0.082,1056 28.122,1057 13.655,1058 2.618,1059 10.8,1060 24.487,1061 4.294,1062 15.334,1063 19.002,1064 1.613,1065 30.605,1066 14.81,1067 2.282,1068 7.277,1069 26.424,1070 4.029,1071 16.509,1072 20.506,1073 0.054,1074 33.08,1075 15.935,1076 2.136,1077 7.152,1078 28.366,1079 3.084,1080 17.702,1081 22.027,1082 1.698,1083 35.565,1084 17.083,1085 2.079,1086 6.552,1087 30.312,1088 2.66,1089 18.889,1090 23.543,1091 0.035,1092 38.049,1093 18.221,1094 17032,1095 27101,1096 25.948,1097 44.909,1098 59.259,1099 61.215,1100 61.442,1101 59.061,1102 59.026,1103 72.683,1104 3.717,1105 178.049,1106 57.177,1107 5.855,1108 6.684,1109 6.975,1110 5.378,1111 5.397,1112 7.71,1113 2.117,1114 19.645,1115 5.224,1116 18.109,1117 1.519,1118 1.57,1119 1.575,1120 1.514,1121 1.513,1122 1.864,1123 0.095,1124 4.565,1125 1.466,1126 4.143,1127 4.162,1128 4.735,1129 4.1,1130 7.717,1131 4.06,1132 4.036,1133 4.045,1134 4.049,1135 3.967,1136 7.429,1137 3.941,1138 3.86,1139 3.923,1140 3.864,1141 3.709,1142 6.999,1143 3.695,1144 3.798,1145 3.791,1146 3.735,1147 3.692,1148 6.449,1149 3.649,1150 3.576,1151 3.639,1152 3.427,1153 3.455,1154 4.83,1155 3.434,1156 3.448,1157 3.513,1158 3.331,1159 3.304,1160 4.683,1161 3.29,1162 3.31,1163 3.365,1164 3.216,1165 3.134,1166 4.281,1167 3.137,1168 3.115,1169 3.206,1170 2.941,1171 2.941,1172 4.151,1173 2.91,1174 0.124,1175 0.12,1176 0.187,1177 0.111,1178 0.087,1179 4.855,1180 0.121,1181 4.684,1182 0.027,1183 7.294,1184 0.318,1185 4.329,1186 0.083,1187 3.397,1188 4.71,1189 1.058,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.064,1195 2.035,1196 1.419,1197 2.059,1198 1.877,1199 1.836,1200 2.032,1201 2.021,1202 1.385,1203 2.044,1204 1.823,1205 1.765,1206 1.971,1207 1.984,1208 1.225,1209 2.005,1210 1.716,1211 1.686,1212 1.878,1213 1.863,1214 1.19,1215 1.871,1216 1.538,1217 1.522,1218 1.689,1219 1.72,1220 0.894,1221 1.747,1222 1.482,1223 1.445,1224 1.651,1225 1.696,1226 0.825,1227 1.695,1228 1.261,1229 1.21,1230 1.513,1231 1.518,1232 0.764,1233 1.493,1234 1.155,1235 1.085,1236 1.47,1237 1.383,1238 0.702,1239 1.429,1240 4.369,1242 5.727,1243 3.045,1244 7.273,1245 5.533,1246 8.901,1247 7.719,1248 10.572,1250 1.379,1255 9.767,1256 10.911,1257 5.214,1260 -0.162,1261 2.425,1267 42.034,1268 110.303,1269 256.648,1270 334.985,1271 367.224,1272 380.733,1273 380.733,1274 79.691,1275 8.548,1276 118.29,1277 126.67,1278 28,1279 12.976,1280 4,1281 3.392,1282 52.006,1283 153,1284 190,1285 0.16,1286 257.006,1287 453.95,1288 618.854,1289 71047,1291 24.579,1292 0.702,1293 0.6,1294 24.829,1295 21.009,1296 16.853,1297 0.432,1298 0.361,1299 12.577,1300 15.462,1301 12.197,1302 10.018,1303 17.674,1304 14.078,1305 15.813,1306 0.277,1307 0.205,1308 17.189,1309 11.671,1310 13.609,1311 0.177,1312 0.116,1313 14.748,1314 8.955,1315 10.901,1316 0.108,1317 0.062,1318 11.51,1319 6.304,1320 9.132,1321 0.07,1322 0.036,1323 9.667,1324 4.695,1325 0.251,1326 113.44,1327 0.196,1328 32.032,1329 0.443,1330 192,1331 512.86,1332 244.749,1333 514.269,1334 700.3,1335 476,1336 230,1337 486.787,1338 287.704,1339 527.875,1340 778.57,1341 498,1342 8}
{0 CHEMBL55594,1 1.608,2 10.906,3 3.136,4 9.831,5 126.015,6 7.469,7 0.306,8 4.215,9 4.323,10 3.914,11 3.791,12 5.17,13 3.738,14 4.829,15 4.994,16 4.242,17 4.227,18 5.929,19 4.159,20 5.092,21 5.295,22 4.267,23 4.376,24 6.118,25 4.275,26 5.145,27 5.366,28 4.179,29 4.364,30 6.148,31 4.247,32 5.089,33 5.324,34 4.231,35 4.319,36 6.047,37 4.214,38 5.072,39 5.275,40 4.297,41 4.355,42 6.086,43 4.27,44 5.184,45 5.403,46 4.262,47 4.384,48 6.282,49 4.276,50 5.21,51 5.45,52 4.183,53 4.352,54 6.155,55 4.218,56 0.078,57 0.914,58 15.926,59 6.475,60 14.025,61 7.891,62 0.37,63 1.541,64 29.577,65 11.175,66 53.549,67 14.175,68 0.453,69 1.891,70 41.612,71 14.739,72 59.01,73 18.83,74 0.467,75 1.938,76 40.755,77 14.795,78 72.087,79 19.774,80 0.439,81 1.846,82 39.134,83 13.972,84 50.738,85 19.139,86 0.391,87 1.893,88 37.971,89 13.554,90 47.1,91 18.238,92 0.71,93 2.007,94 41.693,95 14.791,96 111.594,97 20.39,98 0.581,99 1.989,100 45.472,101 15.771,102 71.599,103 21.124,104 19,105 53,106 0.259,107 0.609,108 0.813,109 0.841,110 0.851,111 0.851,112 3.503,113 1.087,114 -3.22,115 -3.21,116 -3.09,118 39.3,119 1,120 4,124 6,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 9,166 1,167 2,170 1,172 7,173 10,176 1,177 9,182 6,184 10,188 8,191 1,193 2,195 9,200 8,203 1,204 1,205 2,208 9,213 6,216 2,218 2,221 7,224 3,225 5,228 2,230 4,233 7,237 9,240 2,242 2,245 5,249 5,254 1,257 5,260 1712,261 21.703,262 21.703,263 21.703,264 21.703,265 21.703,266 19.858,267 26.398,268 12.49,269 22.479,270 17.709,271 17.709,272 17.709,273 17.709,274 17.709,275 14.497,276 29.067,277 5.875,278 18.755,279 4.323,280 2.144,281 0.877,282 0.701,283 0.635,284 0.635,285 4.209,288 1,289 1,290 767,291 3.742,293 127.07,294 248.23,297 243.342,301 1.48,302 41.088,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 69.5,314 349,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.216,324 4.592,325 3.657,326 6.792,327 4.195,328 3.231,329 4.295,330 1.058,331 11.225,332 3.098,333 4.442,334 3.398,335 6.686,336 4.067,337 3.099,338 4.029,339 0.916,340 10.814,341 2.821,342 3.688,343 2.889,344 5.636,345 3.431,346 2.507,347 3.084,348 0.86,349 7.426,350 2.327,351 3.553,352 2.884,353 5.473,354 3.249,355 2.263,356 2.692,357 0.172,358 7.01,359 2.216,360 3.372,361 2.586,362 5.279,363 3.068,364 2.072,365 2.489,367 6.363,368 2.048,369 3.105,370 2.42,371 4.889,372 2.746,373 1.778,374 2.274,376 5.324,377 1.717,378 3.021,379 2.168,380 4.821,381 2.626,382 1.664,383 2.142,385 5.056,386 1.598,387 2.942,388 1.991,389 4.684,390 2.516,391 1.527,392 2.062,394 4.475,395 1.494,396 2.519,397 1.833,398 3.815,399 2.365,400 1.438,401 1.493,403 3.158,404 1.362,405 2.45,406 1.381,407 3.625,408 2.311,409 1.369,410 1.448,411 2.989,412 1.247,413 2.353,414 1.256,415 3.587,416 1.952,417 1,418 1.214,419 2.367,420 0.946,421 2,422 1.214,423 3.441,424 1.886,425 0.899,426 1,427 2.136,428 0.883,429 1.853,430 1.092,431 3.247,432 1.692,433 0.72,434 0.809,435 1.886,436 0.697,437 1.545,438 0.894,439 3.204,440 1.356,441 0.391,442 0.43,443 0.538,444 0.372,445 15.367,446 0.48,447 0.885,448 0.028,449 37.5,450 1.172,451 16.5,452 0.516,453 21,454 0.656,455 32.718,456 1.022,457 35.633,458 0.584,459 29.784,460 0.931,461 6.724,462 0.21,463 8.735,464 0.273,465 0.098,466 0.054,467 0.319,471 0.625,472 1.323,473 0.846,474 1.197,475 0.585,476 0.995,477 0.861,478 1.106,479 0.945,480 0.997,481 0.549,482 0.936,483 0.997,484 1.059,485 1.105,486 1.068,487 0.867,488 0.999,489 0.985,490 1.043,491 0.946,492 0.975,493 1.091,494 1.062,495 0.755,496 0.95,497 0.724,498 0.84,499 0.756,500 0.87,501 0.767,502 1.166,503 0.899,504 1.067,505 0.755,506 1.039,507 0.772,508 1.046,509 0.845,510 0.974,511 0.754,512 1.069,513 0.963,514 1.01,515 0.929,516 0.967,517 0.882,518 1.032,519 7,520 0.236,521 4.222,522 2.778,523 1.582,524 1.438,525 0.922,526 0.64,527 0.425,528 0.328,529 13438,530 33959,531 2.127,532 47.5,533 6,534 16,537 2,538 2,539 3,542 1.751,543 1.99,544 3.404,545 0.208,547 1,550 98.1,551 1.608,552 3.787,553 5.054,554 5.23,555 5.295,556 5.295,557 2.801,558 4.5,559 4.973,560 3.551,561 1761.46,562 8.735,563 24945.7,568 361.775,569 1.54,570 4.926,571 0.194,572 0.008,573 0.08,574 0.051,575 0.033,576 0.028,577 0.017,578 0.013,579 0.009,580 0.009,581 0.443,582 0.33,583 0.88,584 0.844,585 165.297,586 0.042,587 -0.084,588 0.187,589 -0.011,590 -0.08,591 0.047,592 0.045,593 0.017,594 0.03,595 0.054,596 0.157,597 0.057,598 -0.08,599 -0.008,600 -0.084,601 -0.022,602 0.015,603 -0.001,604 -0.103,605 -0.04,606 -0.084,607 -0.045,608 -0.079,609 -0.083,610 0.039,611 0.043,612 0.148,613 0.094,614 0.012,615 0.121,616 0.035,617 -0.093,618 -0.009,619 -0.105,620 0.019,621 -0.058,622 0.136,623 -0.041,624 -0.019,625 -0.078,626 0.153,627 -0.102,628 -0.024,629 -0.042,630 -0.013,631 -0.034,632 -0.02,633 -0.055,634 4.272,635 5.841,636 0.75,637 29.344,638 1.003,639 1.125,640 1.994,641 3.977,642 0.662,643 3.611,644 3.989,645 4.304,646 4.595,647 4.86,648 5.011,649 5.242,650 5.429,651 5.485,652 5.598,653 6.532,654 0.622,655 455.63,656 3.611,657 5.187,658 6.066,659 6.974,660 7.874,661 8.789,662 9.698,663 10.616,664 11.53,665 12.451,666 4.9,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 61,706 15,707 1,708 36,710 65,711 24,712 10,713 3,714 3,715 3,717 5,718 7,721 1,724 4,727 4,729 13,730 11,733 4,736 1,737 3,738 1,740 2,744 1,747 29,748 6,749 2,750 8,751 1,755 3,760 0.6,761 4,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 1,802 1,803 3,805 1,807 1,811 32,814 1,817 10,818 1,819 1,822 1,833 6.6,836 3,837 1,841 16.083,842 11.117,843 6.875,844 4.05,847 3.054,848 1.364,849 1.023,850 5.911,851 11.434,852 3.839,853 4.463,854 5.021,855 5.578,856 6.1,857 6.52,858 6.974,859 7.378,860 7.662,861 8.031,862 1,863 54,864 12.168,865 5.589,866 7.763,867 23.357,868 20.503,869 2.263,870 72.417,873 1,874 317.82,875 106.584,876 37.921,878 80.458,880 6.046,881 100.538,882 398.278,883 37.921,884 8.825,885 44.55,886 43.951,887 85.162,888 36.96,889 5.513,890 317.82,892 317.82,893 138.458,894 80.458,895 6.046,897 282.506,898 104.771,899 11,900 73.285,901 55.697,902 15.522,904 317.82,905 118.378,906 106.584,908 6.046,909 317.82,910 53.808,911 49.855,912 34.796,913 80.458,914 317.82,915 118.378,916 106.584,918 0.593,919 0.354,920 0.187,921 0.104,922 28,923 12,924 0.077,925 5,926 2,927 1.167,928 4.194,929 314.571,930 0.167,931 24,932 154,935 1,936 21.751,937 8.696,938 4.173,940 101.593,941 4.88,943 3.594,946 6.429,948 34.796,949 542.782,950 45.5,953 -3.356,954 37.658,955 1.914,957 0.311,960 61.178,961 68.65,962 0.271,963 0.638,964 0.852,965 0.882,966 0.893,967 0.893,968 5.128,969 1.664,970 6.094,971 5.324,972 4.673,973 5.15,974 3.162,975 6.984,976 4.574,977 6.363,978 1.527,979 7.708,980 5.056,981 4.443,982 5.286,983 0.325,984 8.184,985 4.256,986 7.726,987 1.438,988 9.432,989 4.475,990 6.382,991 7.457,992 5.056,993 11.256,994 6.172,995 9.132,996 1.369,997 11.223,998 3.158,999 6.986,1000 8.432,1001 0.393,1002 13.275,1003 6.68,1004 10.578,1005 1,1006 13.058,1007 2.989,1008 8.433,1009 10.153,1010 7.188,1011 15.924,1012 8.102,1013 12.049,1014 0.899,1015 14.923,1016 2.367,1017 9.387,1018 11.455,1019 0.384,1020 18.237,1021 8.97,1022 13.541,1023 0.72,1024 16.81,1025 2.136,1026 10.663,1027 13.035,1028 9.348,1029 20.763,1030 10.211,1031 3.397,1032 0.391,1033 18.712,1034 1.886,1035 11.76,1036 14.464,1037 0.351,1038 23.181,1039 11.237,1040 3.231,1041 12.389,1042 20.627,1043 0.538,1044 12.977,1045 15.999,1046 11.511,1047 25.672,1048 12.412,1049 3.099,1050 11.225,1051 22.552,1052 4.71,1053 14.132,1054 17.48,1055 0.312,1056 28.13,1057 13.505,1058 2.507,1059 10.814,1060 24.484,1061 4.295,1062 15.332,1063 19.003,1064 13.675,1065 30.614,1066 14.657,1067 2.263,1068 7.426,1069 26.423,1070 4.029,1071 16.51,1072 20.507,1073 0.273,1074 33.088,1075 15.78,1076 2.072,1077 7.01,1078 28.366,1079 3.084,1080 17.706,1081 22.028,1082 15.838,1083 35.574,1084 16.927,1085 1.778,1086 6.363,1087 30.314,1088 2.692,1089 18.895,1090 23.544,1091 0.236,1092 38.058,1093 18.063,1094 12626,1095 20266,1096 24.156,1097 40.381,1098 54.992,1099 58.377,1100 56.613,1101 54.925,1102 54.842,1103 68.507,1104 11.914,1105 166.662,1106 52.213,1107 5.855,1108 7.244,1109 7.096,1110 5.402,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.216,1116 14.894,1117 1.528,1118 1.622,1119 1.573,1120 1.526,1121 1.523,1122 1.903,1123 0.331,1124 4.629,1125 1.45,1126 4.148,1127 4.162,1128 4.741,1129 4.131,1130 7.714,1131 4.069,1132 4.043,1133 4.05,1134 4.05,1135 3.972,1136 7.429,1137 3.95,1138 3.819,1139 3.829,1140 3.865,1141 3.745,1142 6.999,1143 3.697,1144 3.765,1145 3.809,1146 3.641,1147 3.55,1148 4.835,1149 3.562,1150 3.518,1151 3.578,1152 3.398,1153 3.397,1154 4.684,1155 3.383,1156 3.342,1157 3.39,1158 3.251,1159 3.194,1160 4.614,1161 3.194,1162 3.145,1163 3.226,1164 2.978,1165 2.952,1166 4.106,1167 2.934,1168 3.111,1169 3.206,1170 2.954,1171 2.941,1172 3.968,1173 2.91,1174 0.135,1175 0.146,1176 0.203,1177 0.119,1178 0.094,1179 4.855,1180 0.131,1181 5.244,1182 0.082,1183 7.294,1184 0.344,1185 4.298,1186 0.089,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.216,1192 1.985,1193 2.002,1194 2.05,1195 2.03,1196 1.403,1197 2.077,1198 1.868,1199 1.828,1200 1.981,1201 2.005,1202 1.296,1203 2.019,1204 1.755,1205 1.717,1206 1.94,1207 1.961,1208 1.24,1209 1.964,1210 1.662,1211 1.634,1212 1.793,1213 1.81,1214 1.035,1215 1.824,1216 1.577,1217 1.544,1218 1.742,1219 1.743,1220 0.938,1221 1.757,1222 1.328,1223 1.293,1224 1.513,1225 1.553,1226 0.825,1227 1.527,1228 1.182,1229 1.111,1230 1.505,1231 1.424,1232 0.723,1233 1.433,1234 1.153,1235 1.064,1236 1.443,1237 1.376,1238 0.685,1239 1.429,1240 4.29,1242 5.652,1243 3.045,1244 7.209,1245 5.533,1246 8.846,1247 7.719,1248 10.527,1250 1.629,1256 8.565,1257 2.884,1258 5.507,1261 2.401,1267 37.959,1268 98.1,1269 230.978,1270 308.265,1271 319.02,1272 323.02,1273 323.02,1274 64.677,1275 8.38,1276 95.26,1277 103.64,1278 28,1279 12.96,1280 4,1281 3.392,1282 45.399,1283 125,1284 123,1285 0.177,1286 231.027,1287 408.35,1288 555.465,1289 54815,1291 22.294,1292 0.697,1293 0.6,1294 22.544,1295 19.185,1296 15.459,1297 0.429,1298 0.362,1299 11.389,1300 14.054,1301 11.005,1302 8.997,1303 16.28,1304 13.042,1305 14.496,1306 0.274,1307 0.207,1308 15.872,1309 10.971,1310 12.654,1311 0.173,1312 0.116,1313 13.793,1314 8.462,1315 10.367,1316 0.106,1317 0.059,1318 10.975,1319 5.785,1320 8.712,1321 0.068,1322 0.033,1323 9.247,1324 4.24,1325 0.272,1326 104.969,1327 0.203,1328 29.335,1329 0.505,1330 178,1331 496.113,1332 229.582,1333 492.876,1334 671.26,1335 458,1336 215,1337 464.96,1338 271.089,1339 501.862,1340 742.2,1341 473,1342 6.796}
{0 CHEMBL558752,1 1.859,2 15.514,3 6.607,4 43.648,5 120.68,6 9.782,7 0.659,8 4.14,9 4.241,10 3.906,11 3.631,12 5.441,13 3.695,14 4.683,15 4.815,16 4.421,17 3.997,18 6.599,19 4.072,20 4.805,21 4.965,22 4.34,23 4.068,24 6.253,25 4.114,26 4.895,27 5.085,28 4.275,29 4.037,30 6.334,31 4.074,32 4.791,33 4.996,34 4.103,35 4.001,36 6.06,37 3.997,38 4.741,39 4.935,40 4.143,41 4.003,42 6.101,43 3.988,44 4.747,45 4.941,46 4.074,47 3.937,48 6.053,49 3.946,50 4.679,51 4.874,52 4.136,53 3.832,54 6.21,55 3.859,56 0.433,57 1.298,58 4.994,59 4.463,60 58,61 3.926,62 1.625,63 2.602,64 13.283,65 7.528,66 256.909,67 6.634,68 1.126,69 2.085,70 15.851,71 8.278,72 96.766,73 8.136,74 1.547,75 2.154,76 21.864,77 9.137,78 163.102,79 8.751,80 1.325,81 1.796,82 22.163,83 9.058,84 161.056,85 9.772,86 1.088,87 1.738,88 18.796,89 8.595,90 93.831,91 10.334,92 1.274,93 1.818,94 20.869,95 9.059,96 151.43,97 9.427,98 1.392,99 1.646,100 18.967,101 7.413,102 127.495,103 8.361,104 54,105 62,106 0.303,107 0.633,108 0.765,109 0.865,110 0.865,111 0.865,112 3.642,113 0.779,114 -4.97,115 -4.87,116 -4.57,118 45.3,123 1,130 2,138 9,139 1,140 3,141 1,142 3,147 1,148 1,154 1,155 1,163 5,166 1,167 8,170 3,172 2,173 6,176 1,177 5,180 1,182 3,184 3,187 2,188 5,193 3,195 4,199 2,200 5,203 1,205 2,208 2,213 6,216 1,221 4,225 5,230 2,233 6,236 1,237 3,242 3,245 4,248 2,249 2,252 1,257 1,260 2716,261 24.01,262 24.01,263 24.01,264 24.01,265 24.01,266 20.926,267 25.984,268 13.55,269 25.018,270 20.258,271 20.258,272 20.258,273 20.258,274 20.258,275 15.539,276 34.25,277 6.477,278 22.116,279 3.869,280 1.842,281 1.034,282 0.42,283 0.42,284 0.42,285 4.34,289 1,290 1245,291 4.416,293 199.753,294 366.296,297 165.703,301 2.662,302 69.66,305 0.75,306 0.83,307 0.83,308 0.3,310 0.83,311 1,312 0.65,313 87,314 574,315 4.63,316 4.461,317 7.121,318 4.188,319 3.334,320 4.586,321 3.825,322 11.714,323 2.998,324 4.5,325 4.46,326 7.111,327 4.173,328 3.314,329 4.058,330 3.825,331 11.657,332 2.892,333 4.438,334 3.274,335 6.694,336 4.124,337 3.188,338 3.836,339 0.86,340 10.796,341 2.872,342 4.19,343 3.073,344 6.171,345 3.808,346 2.874,347 3.644,348 0.4,349 9.192,350 2.645,351 3.923,352 2.824,353 5.703,354 3.536,355 2.603,356 3.34,358 7.873,359 2.417,360 3.798,361 2.66,362 5.498,363 3.403,364 2.468,365 3.148,367 7.351,368 2.279,369 3.615,370 2.352,371 5.256,372 3.15,373 2.206,374 2.992,376 6.508,377 2.067,378 3.269,379 2.1,380 5.002,381 2.816,382 1.891,383 2.533,385 5.764,386 1.738,387 3.149,388 1.957,389 4.764,390 2.647,391 1.725,392 2.443,394 5.08,395 1.593,396 3.08,397 1.814,398 4.677,399 2.605,400 1.669,401 2.285,403 4.872,404 1.525,405 2.895,406 1.697,407 4.561,408 2.465,409 1.538,410 2.008,411 4.585,412 1.388,413 2.695,414 1.345,415 4.067,416 2.179,417 1.243,418 1.78,419 3.148,420 1.157,421 2.5,422 1.024,423 3.58,424 2,425 1,426 1.5,427 2.443,428 1,429 2.379,430 1.002,431 3.479,432 1.868,433 0.932,434 1.328,435 2.275,436 0.864,437 2.248,438 1,439 3.414,440 1.816,441 0.866,442 1.158,443 2.167,444 0.82,445 16.448,446 0.445,447 1.375,448 0.037,449 50.75,450 1.372,451 25,452 0.676,453 25.75,454 0.696,455 28.591,456 0.773,457 40.552,458 0.765,459 46.425,460 1.255,461 10.476,462 0.283,463 6.993,464 0.189,465 0.135,466 0.061,467 0.328,469 6,471 0.64,472 0.992,473 0.548,474 1.029,475 0.615,476 0.848,477 0.472,478 0.706,479 0.574,480 0.901,481 0.351,482 0.851,483 0.705,484 0.837,485 0.843,486 1.046,487 0.505,488 1.053,489 0.981,490 0.909,491 1.155,492 1.001,493 0.9,494 1.111,495 0.792,496 0.758,497 1.037,498 0.888,499 0.759,500 1.027,501 0.408,502 0.564,503 0.767,504 0.971,505 0.358,506 1.09,507 0.889,508 0.891,509 1.015,510 1.021,511 0.773,512 1.083,513 0.571,514 0.683,515 0.832,516 0.883,517 0.642,518 0.988,519 11,520 0.288,521 4.889,522 3.104,523 2.003,524 1.518,525 0.83,526 0.687,527 0.521,528 0.445,529 23805,530 101580,531 2.054,532 30.2,534 12,535 1,536 1,537 2,542 1.776,543 1.881,544 3.885,545 0.269,550 98.521,551 1.859,552 3.886,553 4.694,554 5.308,555 5.308,556 5.308,557 3.357,558 4.736,559 5.178,560 4.124,561 2746.75,562 9.084,563 46955.7,568 303.58,569 1.718,570 5.11,571 0.268,572 0.008,573 0.079,574 0.053,575 0.038,576 0.032,577 0.017,578 0.015,579 0.012,580 0.011,581 0.533,582 0.17,583 0.75,584 0.823,585 207.618,586 -0.073,587 -0.13,588 0.012,589 -0.074,590 -0.112,591 -0.004,592 0.385,593 0.29,594 0.171,595 0.053,596 0.476,597 -0.007,598 -0.032,599 -0.074,600 -0.043,601 -0.131,602 0.05,603 -0.118,604 -0.127,605 -0.043,606 -0.213,607 -0.064,608 -0.103,609 -0.137,610 -0.066,611 0.011,612 -0.068,613 0.076,614 -0.092,615 0.045,616 0.186,617 0.112,618 0.146,619 -0.015,620 0.137,621 -0.004,622 -0.115,623 -0.115,624 -0.032,625 -0.032,626 -0.076,627 0.002,628 0.241,629 0.13,630 0.143,631 0.058,632 0.098,633 0.03,634 5.832,635 4.842,636 0.703,637 49.779,638 1.058,639 1.161,640 3.738,641 13.971,642 0.683,643 3.738,644 4.143,645 4.369,646 4.615,647 4.828,648 4.977,649 5.1,650 5.263,651 5.38,652 5.537,653 9.177,654 0.705,655 518.46,656 3.738,657 5.333,658 6.188,659 7.094,660 7.967,661 8.87,662 9.749,663 10.651,664 11.534,665 12.436,666 11.3,674 3,676 3,680 2,681 11,682 3,683 1,686 8,687 1,688 27,699 1,703 1,705 53,706 27,707 2,708 41,710 57,711 24,712 21,713 5,714 7,717 5,718 6,721 2,726 2,729 21,730 3,745 6,747 16,748 11,749 2,750 13,753 2,755 6,760 0.8,761 1,773 1,778 2,779 3,782 1,803 4,807 1,809 6,811 37,818 1,819 1,823 2,832 6,833 1.9,838 1,841 19.667,842 9.99,843 7.611,844 2.88,847 5.031,848 1.574,849 1.04,850 6.186,851 13.795,852 4.016,853 4.696,854 5.293,855 5.905,856 6.422,857 6.783,858 7.215,859 7.676,860 8.027,861 8.484,862 1,863 59,864 14.567,865 7.298,866 8.491,867 24.38,868 20.04,869 2.991,870 110.667,874 164.795,875 157.754,876 87.052,878 11,879 89.761,881 157.754,882 175.795,883 176.813,884 8.396,886 94.334,887 64.456,888 172.489,889 13.915,890 141.253,891 15.519,892 164.795,893 244.806,894 100.761,897 164.795,898 100.761,900 73.146,901 121.303,902 50.357,904 254.556,905 98.052,906 157.754,909 180.314,910 30.458,911 113.677,912 34.796,913 151.117,914 164.795,915 187.813,916 157.754,918 0.61,919 0.337,920 0.166,921 0.089,922 32,923 15,924 0.088,925 5,926 1,927 1.077,928 4.726,929 359.01,930 0.077,931 26,932 179.24,936 24.82,937 9.222,938 5.313,939 1.275,940 169.128,941 14.794,942 12.061,943 2.459,946 -0.163,947 1.733,948 34.796,949 510.362,950 54.5,960 56.083,961 61.559,962 0.325,963 0.678,964 0.82,965 0.927,966 0.927,967 0.927,968 5.297,969 1.891,970 6.252,971 6.508,972 4.828,973 5.384,974 3.749,975 7.132,976 4.66,977 6.564,978 1.725,979 7.869,980 5.764,981 4.745,982 5.352,983 4.586,984 8.37,985 4.369,986 7.914,987 1.669,988 9.595,989 5.08,990 6.569,991 7.656,992 6.114,993 11.355,994 6.208,995 9.298,996 1.538,997 11.385,998 4.872,999 7.238,1000 8.385,1001 7.382,1002 13.352,1003 6.661,1004 10.709,1005 1.243,1006 13.216,1007 4.585,1008 8.63,1009 10.213,1010 8.751,1011 15.949,1012 8.036,1013 12.141,1014 1,1015 15.075,1016 3.148,1017 9.599,1018 11.309,1019 10.082,1020 18.224,1021 8.815,1022 13.587,1023 0.932,1024 16.954,1025 2.443,1026 10.848,1027 12.937,1028 11.427,1029 20.709,1030 10.007,1031 3.334,1032 0.866,1033 18.848,1034 2.275,1035 11.941,1036 14.225,1037 12.767,1038 23.087,1039 10.938,1040 3.314,1041 11.714,1042 20.754,1043 2.167,1044 13.142,1045 15.768,1046 14.11,1047 25.54,1048 12.054,1049 3.188,1050 11.657,1051 22.669,1052 4.586,1053 14.287,1054 17.157,1055 15.451,1056 27.957,1057 13.056,1058 2.874,1059 10.796,1060 24.591,1061 4.058,1062 15.474,1063 18.666,1064 16.793,1065 30.403,1066 14.142,1067 2.603,1068 9.192,1069 26.52,1070 3.836,1071 16.642,1072 20.109,1073 18.134,1074 32.837,1075 15.179,1076 2.468,1077 7.873,1078 28.452,1079 3.644,1080 17.826,1081 21.609,1082 19.476,1083 35.282,1084 16.254,1085 2.206,1086 7.351,1087 30.389,1088 3.34,1089 19.005,1090 23.081,1091 20.818,1092 37.724,1093 17.308,1094 22456,1095 46668,1096 26.641,1097 36.205,1098 64.499,1099 62.57,1100 63.997,1101 63.718,1102 63.294,1103 83.578,1104 17.821,1105 194.842,1106 57.953,1107 5.411,1108 6.461,1109 6.668,1110 5.281,1111 5.334,1112 7.586,1113 5.335,1114 18.803,1115 4.998,1116 22.93,1117 1.573,1118 1.526,1119 1.561,1120 1.554,1121 1.544,1122 2.038,1123 0.435,1124 4.752,1125 1.413,1126 4.133,1127 4.174,1128 4.105,1129 4,1130 8.517,1131 4.02,1132 3.993,1133 4.044,1134 3.969,1135 3.84,1136 8.509,1137 3.855,1138 3.918,1139 3.946,1140 3.879,1141 3.828,1142 7.999,1143 3.842,1144 3.75,1145 3.789,1146 3.716,1147 3.579,1148 7.999,1149 3.607,1150 3.478,1151 3.53,1152 3.438,1153 3.285,1154 7.999,1155 3.31,1156 3.317,1157 3.37,1158 3.311,1159 3.028,1160 7.999,1161 3.078,1162 3.248,1163 3.307,1164 3.256,1165 2.893,1166 5.092,1167 2.956,1168 3.028,1169 3.117,1170 2.886,1171 2.831,1172 4.997,1173 2.831,1174 0.113,1175 0.109,1176 0.174,1177 0.102,1178 0.081,1179 4.63,1180 0.112,1181 4.461,1182 0.093,1183 7.121,1184 0.286,1185 4.188,1186 0.073,1187 3.334,1188 4.586,1189 3.825,1190 11.714,1191 2.998,1192 1.926,1193 1.904,1194 2.009,1195 2.047,1196 1.136,1197 2.035,1198 1.904,1199 1.878,1200 1.996,1201 2.014,1202 1.097,1203 2.007,1204 1.812,1205 1.778,1206 1.898,1207 1.947,1208 0.956,1209 1.935,1210 1.502,1211 1.457,1212 1.686,1213 1.76,1214 0.754,1215 1.734,1216 1.497,1217 1.427,1218 1.602,1219 1.748,1220 0.64,1221 1.697,1222 1.287,1223 1.229,1224 1.368,1225 1.566,1226 0.394,1227 1.511,1228 1.136,1229 1.084,1230 1.311,1231 1.456,1232 0.357,1233 1.394,1234 0.989,1235 0.936,1236 1.181,1237 1.254,1238 0.218,1239 1.222,1240 4.419,1242 5.802,1243 3.045,1244 7.352,1245 5.416,1246 8.971,1247 7.535,1248 10.627,1250 1.746,1252 76.921,1257 2.993,1258 5.855,1262 -9.006,1267 37.357,1268 98.521,1269 205.977,1270 248.786,1271 281.315,1272 281.315,1273 281.315,1274 82.394,1275 8.764,1276 80.65,1277 80.65,1278 28,1279 12.96,1280 4.807,1281 3.858,1282 57.142,1283 206,1284 182,1285 0.134,1286 220.842,1287 386.99,1288 530.615,1289 95195,1290 11.3,1291 26.372,1292 0.713,1293 0.509,1294 21.372,1295 18.816,1296 17.469,1297 0.426,1298 0.26,1299 10.358,1300 16.34,1301 10.267,1302 8.401,1303 15.047,1304 10.649,1305 17.942,1306 0.289,1307 0.128,1308 14.026,1309 7.956,1310 13.736,1311 0.176,1312 0.069,1313 11.838,1314 5.399,1315 11.196,1316 0.112,1317 0.036,1318 9.944,1319 3.565,1320 8.793,1321 0.071,1322 0.019,1323 8.087,1324 2.301,1325 0.218,1326 112.888,1327 0.194,1328 34.306,1329 0.349,1330 206,1331 1013.65,1332 256.481,1333 814.754,1334 1064.34,1335 754,1336 243,1337 758.766,1338 282.163,1339 724.807,1340 1103.63,1341 680,1342 6.027}
{0 CHEMBL56109,1 1.605,2 14.432,3 2.874,4 8.259,5 147.19,6 7.132,7 0.268,8 4.397,9 4.521,10 4.036,11 3.92,12 5.35,13 3.872,14 5.005,15 5.195,16 4.35,17 4.36,18 6.087,19 4.286,20 5.283,21 5.509,22 4.387,23 4.54,24 6.238,25 4.425,26 5.378,27 5.617,28 4.307,29 4.555,30 6.311,31 4.42,32 5.365,33 5.627,34 4.307,35 4.495,36 6.258,37 4.356,38 5.311,39 5.565,40 4.334,41 4.458,42 6.246,43 4.34,44 5.271,45 5.511,46 4.333,47 4.464,48 6.322,49 4.356,50 5.3,51 5.523,52 4.335,53 4.513,54 6.263,55 4.388,56 0.111,57 1.141,58 20.301,59 7.164,60 18.445,61 9.661,62 0.504,63 1.871,64 35.522,65 12.214,66 66.94,67 17.094,68 0.48,69 2.276,70 50.149,71 17.153,72 61.833,73 23.496,74 0.499,75 2.355,76 52.143,77 18.133,78 80.707,79 25.573,80 0.548,81 2.26,82 52.627,83 17.688,84 73.53,85 25.41,86 0.643,87 2.183,88 51.052,89 16.685,90 74.768,91 23.763,92 0.676,93 2.153,94 46.657,95 15.554,96 115.548,97 22.657,98 0.572,99 2.274,100 48.453,101 16.449,102 73.578,103 23.081,104 34,105 59,106 0.249,107 0.566,108 0.75,109 0.827,110 0.852,111 0.869,112 3.642,113 1.081,114 -2.35,115 -2.38,116 -2.34,118 36.5,120 6,123 1,124 7,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 3,172 7,173 12,176 1,177 7,180 1,182 9,184 13,188 7,193 5,195 12,200 6,203 1,204 1,205 3,208 12,213 7,216 4,217 1,218 4,221 9,224 2,225 7,228 1,230 4,233 8,237 7,240 2,241 1,242 4,245 7,248 1,249 7,252 2,254 3,257 5,260 2938,261 25.143,262 25.143,263 25.143,264 25.143,265 25.143,266 23.297,267 29.59,268 14.609,269 25.652,270 20.124,271 20.124,272 20.124,273 20.124,274 20.124,275 16.902,276 32.002,277 6.766,278 20.969,279 4.605,280 2.56,281 1.372,282 0.875,283 0.713,284 0.605,285 4.346,289 1,290 1158,291 4.301,293 159.022,294 316.671,297 302.067,301 2.12,302 44.289,305 0.75,306 0.67,307 0.67,308 0.9,309 1,310 0.83,311 1,312 0.83,313 80.5,314 534,315 4.855,316 4.684,317 7.294,318 4.329,319 3.397,320 4.71,321 1.058,322 12.389,323 3.224,324 4.589,325 3.654,326 6.786,327 4.202,328 3.224,329 4.294,330 0.8,331 11.195,332 3.114,333 4.44,334 3.37,335 6.683,336 4.078,337 3.095,338 4.029,339 0.8,340 10.8,341 2.99,342 3.687,343 2.983,344 5.615,345 3.578,346 2.657,347 3.084,349 7.387,350 2.446,351 3.657,352 2.742,353 5.491,354 3.275,355 2.285,356 2.669,358 7.272,359 2.263,360 3.432,361 2.586,362 5.429,363 3.152,364 2.221,365 2.643,367 6.557,368 2.122,369 3.226,370 2.456,371 5.128,372 3.09,373 2.099,374 2.317,376 6.363,377 2.017,378 3.132,379 2.096,380 4.908,381 2.789,382 1.812,383 2.225,385 5.401,386 1.763,387 3.034,388 1.837,389 4.839,390 2.638,391 1.669,392 2.168,394 5.101,395 1.614,396 2.953,397 1.783,398 4.685,399 2.529,400 1.527,401 2.077,403 4.475,404 1.521,405 2.519,406 1.585,407 3.861,408 2.365,409 1.371,410 1.49,411 3.126,412 1.362,413 2.375,414 1.486,415 3.615,416 2.296,417 1.311,418 1.346,419 2.916,420 1.29,421 2.301,422 1.37,423 3.581,424 2.022,425 1.093,426 1.191,427 2.275,428 1.007,429 2.088,430 1.146,431 3.414,432 1.967,433 1,434 1.077,435 2.232,436 0.965,437 2,438 0.99,439 3.33,440 1.828,441 0.838,442 1,443 1.953,444 0.826,445 17.667,446 0.477,447 0.953,448 0.026,449 40.75,450 1.101,451 16.5,452 0.446,453 24.25,454 0.655,455 41.029,456 1.109,457 42.333,458 0.572,459 34.007,460 0.919,461 7.455,462 0.201,463 10.435,464 0.282,465 0.104,466 0.047,467 0.3,471 0.706,472 1.48,473 0.883,474 1.265,475 0.664,476 1.052,477 0.767,478 1.098,479 0.91,480 0.951,481 0.536,482 0.959,483 0.838,484 1.029,485 1.06,486 1.074,487 0.692,488 1.012,489 0.953,490 1.068,491 0.954,492 1.028,493 0.942,494 1.098,495 0.778,496 0.971,497 0.775,498 0.909,499 0.767,500 0.943,501 0.728,502 0.959,503 0.805,504 0.931,505 0.744,506 0.909,507 0.751,508 0.992,509 0.772,510 0.88,511 0.707,512 0.935,513 0.97,514 1.117,515 1.046,516 1.079,517 0.927,518 1.157,519 8,520 0.312,521 4.889,522 2.965,523 1.618,524 1.476,525 1.173,526 0.675,527 0.416,528 0.47,529 21411,530 53442,531 2.093,532 50,533 8,534 21,537 4,538 2,539 2,542 1.784,543 1.956,544 3.745,545 1.498,550 118.758,551 1.605,552 3.65,553 4.837,554 5.334,555 5.497,556 5.605,557 3.237,558 4.811,559 5.175,560 3.933,561 2619.69,562 9.126,563 42785,568 459.5,569 1.531,570 5.134,571 0.195,572 0.007,573 0.083,574 0.049,575 0.03,576 0.028,577 0.021,578 0.012,579 0.008,580 0.01,581 0.442,582 0.17,583 0.75,584 0.986,585 203.934,586 0.02,587 -0.157,588 0.177,589 -0.033,590 -0.092,591 0.039,592 0.1,593 0.084,594 0.037,595 0.086,596 0.17,597 0.053,598 -0.033,599 0.048,600 -0.05,601 -0.008,602 0.048,603 0.013,604 -0.098,605 -0.07,606 -0.082,607 -0.066,608 -0.048,609 -0.094,610 0.034,611 -0.019,612 0.108,613 0.035,614 0.008,615 0.056,616 0.119,617 0.026,618 0.119,619 0.033,620 0.043,621 0.087,622 0.111,623 0.016,624 0.081,625 0.056,626 0.16,627 0.06,628 -0.066,629 -0.051,630 -0.131,631 -0.098,632 -0.061,633 -0.161,634 4.534,635 5.93,636 0.649,637 44.893,638 1,639 1.134,640 1.12,641 1.255,642 0.644,643 3.738,644 4.094,645 4.394,646 4.663,647 4.905,648 5.043,649 5.252,650 5.412,651 5.468,652 5.62,653 8.137,654 0.602,655 527.76,656 3.738,657 5.303,658 6.172,659 7.069,660 7.958,661 8.862,662 9.761,663 10.669,664 11.574,665 12.485,666 6.8,668 1,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 74,706 15,707 1,708 41,710 78,711 27,712 10,713 3,714 3,715 3,717 5,718 7,721 1,724 4,727 6,729 13,730 14,733 4,736 1,737 3,738 1,740 2,747 37,748 8,749 4,750 10,751 1,755 5,760 0.6,761 4,762 1,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 2,801 1,803 3,805 1,807 1,811 37,815 1,816 1,817 13,818 2,822 2,833 5.4,834 1,836 3,841 18.917,842 13.1,843 8.125,844 4.742,847 3.072,848 1.354,849 0.99,850 8.077,851 11.763,852 3.942,853 4.53,854 5.067,855 5.6,856 6.103,857 6.509,858 6.953,859 7.349,860 7.633,861 8.008,862 0.9,863 61,864 14.051,865 6.336,866 7.768,867 27.02,868 23.373,869 2.268,870 83.917,874 388.446,875 107.218,876 57.45,878 112.141,880 5.807,881 101.411,882 500.588,883 57.45,884 8.396,885 45.852,886 102.801,887 74.163,888 40.084,889 5.513,890 388.446,892 388.446,893 158.861,894 112.141,895 5.807,897 364.904,898 93,899 42.683,900 85.291,901 64.093,902 15.284,904 388.446,905 169.591,906 107.218,908 5.807,909 388.446,910 55.109,911 52.55,912 51.201,913 112.141,914 388.446,915 169.591,916 107.218,918 0.585,919 0.349,920 0.184,921 0.1,922 29,923 13,924 0.115,925 9,926 2,927 1.167,928 4.675,929 367.03,930 0.167,931 24,932 183.995,935 1,936 26.451,937 11.299,938 5.664,940 152.806,941 4.736,943 3.614,946 6.319,948 93.885,949 665.256,950 50.5,953 -3.618,954 37.677,955 1.915,957 0.274,960 74.032,961 83.892,962 0.258,963 0.588,964 0.779,965 0.859,966 0.885,967 0.903,968 5.224,969 1.812,970 6.188,971 6.363,972 4.779,973 5.218,974 1.641,975 7.059,976 4.703,977 6.441,978 1.669,979 7.79,980 5.401,981 4.511,982 5.316,983 0.57,984 8.228,985 4.372,986 7.791,987 1.527,988 9.502,989 5.101,990 6.466,991 7.486,992 1.488,993 11.289,994 6.305,995 9.185,996 1.371,997 11.282,998 4.475,999 7.04,1000 8.445,1001 0.479,1002 13.292,1003 6.811,1004 10.62,1005 1.311,1006 13.106,1007 3.126,1008 8.49,1009 10.163,1010 1.47,1011 15.932,1012 8.237,1013 12.083,1014 1.093,1015 14.961,1016 2.916,1017 9.424,1018 11.46,1019 0.346,1020 18.239,1021 9.109,1022 13.568,1023 1,1024 16.84,1025 2.275,1026 10.697,1027 13.038,1028 1.501,1029 20.761,1030 10.352,1031 3.397,1032 0.838,1033 18.735,1034 2.232,1035 11.782,1036 14.465,1037 0.237,1038 23.176,1039 11.382,1040 3.224,1041 12.389,1042 20.645,1043 1.953,1044 12.996,1045 16,1046 1.556,1047 25.666,1048 12.559,1049 3.095,1050 11.195,1051 22.565,1052 4.71,1053 14.144,1054 17.479,1055 0.158,1056 28.122,1057 13.655,1058 2.657,1059 10.8,1060 24.493,1061 4.294,1062 15.34,1063 19.002,1064 1.626,1065 30.606,1066 14.81,1067 2.285,1068 7.387,1069 26.429,1070 4.029,1071 16.514,1072 20.506,1073 0.104,1074 33.08,1075 15.935,1076 2.221,1077 7.272,1078 28.37,1079 3.084,1080 17.706,1081 22.027,1082 1.706,1083 35.566,1084 17.083,1085 2.099,1086 6.557,1087 30.316,1088 2.669,1089 18.893,1090 23.543,1091 0.068,1092 38.05,1093 18.221,1094 20307,1095 32394,1096 27.334,1097 47.677,1098 61.717,1099 63.782,1100 64.191,1101 61.564,1102 61.524,1103 75.181,1104 5.317,1105 183.611,1106 59.266,1107 5.855,1108 6.684,1109 7.064,1110 5.397,1111 5.397,1112 7.71,1113 2.117,1114 19.645,1115 5.224,1116 18.972,1117 1.505,1118 1.556,1119 1.566,1120 1.502,1121 1.501,1122 1.834,1123 0.13,1124 4.478,1125 1.446,1126 4.144,1127 4.162,1128 4.735,1129 4.1,1130 7.717,1131 4.06,1132 4.036,1133 4.045,1134 4.049,1135 3.967,1136 7.429,1137 3.941,1138 3.862,1139 3.937,1140 3.864,1141 3.707,1142 6.999,1143 3.672,1144 3.798,1145 3.791,1146 3.743,1147 3.66,1148 6.456,1149 3.648,1150 3.592,1151 3.66,1152 3.439,1153 3.455,1154 4.831,1155 3.438,1156 3.486,1157 3.552,1158 3.364,1159 3.319,1160 4.683,1161 3.311,1162 3.366,1163 3.43,1164 3.252,1165 3.186,1166 4.374,1167 3.182,1168 3.296,1169 3.358,1170 3.146,1171 3.101,1172 4.151,1173 3.1,1174 0.118,1175 0.114,1176 0.178,1177 0.106,1178 0.083,1179 4.855,1180 0.115,1181 4.684,1182 0.026,1183 7.294,1184 0.302,1185 4.329,1186 0.079,1187 3.397,1188 4.71,1189 1.058,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.059,1195 2.042,1196 1.413,1197 2.059,1198 1.875,1199 1.834,1200 2.017,1201 2.021,1202 1.35,1203 2.044,1204 1.807,1205 1.74,1206 1.971,1207 1.985,1208 1.218,1209 2.006,1210 1.714,1211 1.678,1212 1.878,1213 1.869,1214 1.186,1215 1.877,1216 1.546,1217 1.523,1218 1.716,1219 1.739,1220 0.955,1221 1.757,1222 1.489,1223 1.453,1224 1.657,1225 1.714,1226 0.867,1227 1.718,1228 1.378,1229 1.317,1230 1.642,1231 1.618,1232 0.825,1233 1.628,1234 1.238,1235 1.176,1236 1.513,1237 1.504,1238 0.762,1239 1.485,1240 4.419,1242 5.765,1243 3.045,1244 7.305,1245 5.533,1246 8.928,1247 7.719,1248 10.597,1250 1.382,1255 9.17,1256 12.415,1257 5.231,1261 4.802,1267 44.582,1268 118.758,1269 270.089,1270 357.951,1271 394.745,1272 406.745,1273 414.745,1274 82.419,1275 8.69,1276 121.53,1277 129.91,1278 28,1279 13.001,1280 4,1281 3.392,1282 56.658,1283 174,1284 240,1285 0.152,1286 273.392,1287 482.25,1288 658.837,1289 86352,1291 25.993,1292 0.703,1293 0.603,1294 26.243,1295 22.293,1296 17.891,1297 0.436,1298 0.36,1299 13.232,1300 16.378,1301 12.84,1302 10.537,1303 18.712,1304 14.769,1305 16.363,1306 0.277,1307 0.203,1308 17.738,1309 12.005,1310 14.137,1311 0.177,1312 0.116,1313 15.276,1314 9.279,1315 11.501,1316 0.11,1317 0.062,1318 12.11,1319 6.539,1320 9.449,1321 0.071,1322 0.036,1323 9.984,1324 4.787,1325 0.241,1326 120.41,1327 0.191,1328 33.724,1329 0.414,1330 200,1331 540.506,1332 254.166,1333 538.332,1334 732.06,1335 500,1336 239,1337 505.142,1338 298.648,1339 546.475,1340 806.17,1341 515,1342 8}
{0 CHEMBL56569,1 1.713,2 10.267,3 2.098,4 4.402,5 114.68,6 7.936,7 0.333,8 4.097,9 4.208,10 3.843,11 3.67,12 5.173,13 3.631,14 4.661,15 4.815,16 4.17,17 4.1,18 5.95,19 4.04,20 4.923,21 5.11,22 4.187,23 4.238,24 6.068,25 4.154,26 4.995,27 5.196,28 4.113,29 4.228,30 6.127,31 4.138,32 4.932,33 5.147,34 4.15,35 4.187,36 6.01,37 4.094,38 4.956,39 5.167,40 4.222,41 4.179,42 6.121,43 4.11,44 4.98,45 5.188,46 4.125,47 4.146,48 6.273,49 4.072,50 4.946,51 5.159,52 4.043,53 4.091,54 6.131,55 3.992,56 0.139,57 0.842,58 13.472,59 5.197,60 24.295,61 6.241,62 0.439,63 1.343,64 22.519,65 9.415,66 73.9,67 11.866,68 0.433,69 1.626,70 34.482,71 12.541,72 76.675,73 15.342,74 0.603,75 1.678,76 33.921,77 12.009,78 100.311,79 15.313,80 0.447,81 1.603,82 31.903,83 11.887,84 66.467,85 15.827,86 0.536,87 1.631,88 34.316,89 12.118,90 74.86,91 15.896,92 0.799,93 1.609,94 33.696,95 11.133,96 153.949,97 14.763,98 0.692,99 1.555,100 34.063,101 11.162,102 106.98,103 14.164,104 46,105 49,106 0.282,107 0.645,108 0.802,109 0.872,110 0.884,111 0.884,112 3.441,113 1.036,114 -2.16,115 -2.21,116 -2.18,118 38.9,120 6,123 1,132 1,133 1,138 3,139 3,140 2,148 2,151 2,156 1,157 1,158 1,163 11,166 1,167 2,169 1,170 4,172 8,173 12,175 1,177 7,182 10,184 13,186 1,188 7,193 6,195 12,197 1,200 5,203 1,204 1,205 4,208 12,211 1,213 6,216 3,217 2,218 6,220 1,221 9,223 2,224 2,225 6,228 1,230 7,233 8,235 3,237 6,240 2,241 1,242 5,245 7,247 2,248 1,249 5,251 1,252 2,253 1,254 3,256 1,257 5,259 1,260 1434,261 19.842,262 19.842,263 19.842,264 19.842,265 19.842,266 17.789,267 19.948,268 11.281,269 20.051,270 16.192,271 16.192,272 16.192,273 16.192,274 16.192,275 12.649,276 16.797,277 5.27,278 16.558,279 4.042,280 1.833,281 0.88,282 0.458,283 0.384,284 0.384,285 4.131,288 1,289 1,290 657,291 4.183,293 121.492,294 155.065,297 231.985,301 1.484,302 45.964,305 1,306 1,307 1,308 0.8,309 0.5,310 0.83,311 0.5,312 0.8,313 66,314 308,315 4.855,316 4.684,317 7.294,318 4.33,319 3.397,320 4.71,321 1.886,322 12.389,323 3.224,324 4.59,325 3.654,326 6.786,327 4.203,328 3.225,329 4.294,330 1.058,331 11.196,332 3.115,333 4.441,334 3.526,335 6.683,336 4.078,337 3.096,338 4.029,340 10.801,341 2.991,342 3.687,343 3.356,344 5.616,345 3.302,346 2.301,347 3.084,349 7.276,350 2.302,351 3.558,352 2.742,353 5.431,354 3.229,355 2.214,356 2.735,358 6.563,359 2.232,360 3.412,361 2.456,362 4.916,363 3.077,364 2.066,365 2.623,367 5.474,368 2.078,369 3.128,370 2.092,371 4.845,372 2.76,373 1.78,374 2.301,376 5.171,377 1.738,378 3.031,379 1.837,380 4.685,381 2.632,382 1.663,383 2.172,385 4.957,386 1.607,387 2.95,388 1.783,389 4.627,390 2.529,391 1.527,392 2.075,394 4.475,395 1.521,396 2.516,397 1.458,398 3.799,399 2.364,400 1.37,401 1.486,403 3.03,404 1.362,405 2.361,406 1.366,407 3.596,408 2.046,409 1.041,410 1.244,411 2.597,412 1.044,413 2.055,414 0.948,415 3.534,416 1.768,417 0.779,418 0.987,419 2.044,420 0.767,421 1.545,422 0.898,423 3.204,424 1.325,425 0.391,426 0.43,427 0.772,428 0.361,429 1.539,430 0.772,431 2.934,432 1.319,433 0.332,434 0.38,435 0.535,436 0.327,437 1.424,438 0.553,439 2.842,440 1.003,441 0.018,442 0.024,443 0.048,444 0.018,445 14.267,446 0.476,447 0.961,448 0.032,449 37,450 1.233,451 18,452 0.6,453 19,454 0.633,455 27.974,456 0.932,457 33.133,458 0.614,459 30.578,460 1.019,461 6.842,462 0.228,463 7.455,464 0.249,465 0.157,466 0.058,467 0.35,471 0.616,472 1.218,473 0.83,474 1.139,475 0.63,476 0.909,477 0.46,478 1.07,479 0.784,480 0.982,481 0.443,482 0.947,483 0.943,484 1.099,485 1.11,486 1.136,487 0.867,488 1.022,489 1.169,490 1,491 1.011,492 0.941,493 1.08,494 1.061,495 0.708,496 1.046,497 0.754,498 0.964,499 0.705,500 0.992,501 0.666,502 1.084,503 0.769,504 1.038,505 0.732,506 0.959,507 1.042,508 1.01,509 0.871,510 0.899,511 1.041,512 1.007,513 1.193,514 1.005,515 1.063,516 0.989,517 1.204,518 1.086,519 7.5,520 0.191,521 4.444,522 2.84,523 1.396,524 1.494,525 1.143,526 0.589,527 0.466,528 0.36,529 10609,530 32031,531 2.04,532 44.4,533 8,534 7,537 5,538 4,542 1.735,543 1.865,544 3.338,545 2.452,546 1,547 1,550 92.486,551 1.713,552 3.922,553 4.875,554 5.296,555 5.371,556 5.371,557 2.715,558 4.348,559 4.879,560 3.494,561 1519.68,562 8.546,563 20611.8,565 1,567 1,568 310.764,569 1.679,570 4.809,571 0.227,572 0.009,573 0.091,574 0.057,575 0.031,576 0.032,577 0.023,578 0.013,579 0.012,580 0.012,581 0.507,582 0.17,583 1,584 1.312,585 151.818,586 -0.002,587 0.039,588 0.171,589 0.033,590 -0.105,591 0.093,592 0.263,593 0.044,594 0.098,595 0.057,596 0.226,597 0.049,598 -0.103,599 -0.062,600 -0.094,601 -0.056,602 -0.028,603 -0.009,604 -0.211,605 0.001,606 -0.157,607 -0.018,608 -0.136,609 -0.097,610 0.045,611 -0.063,612 0.1,613 -0.015,614 0.004,615 0.014,616 0.164,617 -0.089,618 0.136,619 -0.076,620 0.061,621 0.035,622 0.011,623 -0.035,624 -0.031,625 -0.019,626 0.029,627 -0.06,628 -0.122,629 -0.011,630 -0.122,631 -0.059,632 -0.136,633 -0.139,634 4.554,635 5.654,636 0.6,637 26.933,638 1.012,639 1.128,640 0.933,641 0.871,642 0.669,643 3.526,644 3.912,645 4.205,646 4.489,647 4.745,648 4.92,649 5.124,650 5.283,651 5.298,652 5.38,653 6.291,654 0.637,655 428.56,656 3.526,657 5.106,658 5.979,659 6.891,660 7.789,661 8.707,662 9.616,663 10.537,664 11.451,665 12.374,666 7.4,668 1,673 2,674 1,681 3,683 1,686 7,688 11,705 54,706 16,707 1,708 33,710 57,711 21,712 10,713 3,714 3,715 3,717 4,718 6,724 4,727 6,729 14,730 7,733 5,736 1,737 4,738 1,740 3,744 1,747 24,748 7,749 5,750 9,751 1,755 4,760 0.5,761 4,775 1,778 2,779 2,782 2,789 1,790 1,795 1,796 1,803 2,805 1,807 1,811 30,812 1,815 1,817 6,818 2,833 7.4,836 4,841 16.083,842 9.75,843 6.458,844 3.292,847 3.08,848 1.385,849 1.022,850 5.579,851 11.089,852 3.795,853 4.44,854 4.981,855 5.539,856 6.067,857 6.496,858 6.943,859 7.34,860 7.615,861 7.973,862 0.857,863 50,864 11.404,865 5.28,866 8.036,867 21.134,868 18.222,869 2.536,870 76.083,874 223.651,875 99.289,876 84.098,878 94.603,880 5.807,881 93.481,882 318.254,883 84.098,884 8.396,885 66.115,886 60.117,887 104.012,888 33.835,889 5.513,890 223.651,892 223.651,893 177.58,894 94.603,895 5.807,897 223.651,898 94.603,900 99.306,901 68.798,902 15.284,904 223.651,905 178.701,906 99.289,908 5.807,909 223.651,910 47.18,911 46.301,912 51.201,913 127.5,914 223.651,915 178.701,916 99.289,918 0.596,919 0.346,920 0.178,921 0.102,922 25,923 12,924 0.105,925 6,926 2,927 1.222,928 3.946,929 280.868,930 0.222,931 18,932 145.207,935 1,936 20.853,937 8.026,938 3.985,940 161.916,941 4.544,943 3.421,946 5.323,948 84.098,949 501.641,950 43.5,953 -3.638,954 48.412,955 1.756,957 -0.278,960 54.629,961 60.903,962 0.298,963 0.682,964 0.847,965 0.92,966 0.933,967 0.933,968 5.08,969 1.663,970 6.023,971 5.171,972 4.595,973 5.127,974 2.194,975 6.923,976 4.549,977 6.339,978 1.527,979 7.648,980 4.957,981 4.443,982 5.316,983 1.593,984 8.159,985 4.343,986 7.712,987 1.37,988 9.382,989 4.475,990 6.319,991 7.457,992 2.991,993 11.218,994 6.201,995 9.126,996 1.041,997 11.181,998 3.03,999 6.967,1000 8.445,1001 2.98,1002 13.255,1003 6.778,1004 10.575,1005 0.779,1006 13.022,1007 2.597,1008 8.385,1009 10.156,1010 4.024,1011 15.902,1012 8.174,1013 12.049,1014 0.391,1015 14.892,1016 2.044,1017 9.363,1018 11.46,1019 4.33,1020 18.223,1021 9.082,1022 13.541,1023 0.332,1024 16.783,1025 0.772,1026 10.628,1027 13.037,1028 5.18,1029 20.749,1030 10.316,1031 3.397,1032 0.018,1033 18.69,1034 0.535,1035 11.737,1036 14.465,1037 5.648,1038 23.17,1039 11.362,1040 3.225,1041 12.389,1042 20.608,1043 0.048,1044 12.952,1045 16,1046 6.396,1047 25.662,1048 12.538,1049 3.096,1050 11.196,1051 22.536,1052 4.71,1053 14.112,1054 17.48,1055 6.944,1056 28.12,1057 13.643,1058 2.301,1059 10.801,1060 24.47,1061 4.294,1062 15.312,1063 19.002,1064 7.639,1065 30.604,1066 14.798,1067 2.214,1068 7.276,1069 26.411,1070 4.029,1071 16.493,1072 20.506,1073 8.228,1074 33.08,1075 15.927,1076 2.066,1077 6.563,1078 28.356,1079 3.084,1080 17.689,1081 22.028,1082 8.895,1083 35.565,1084 17.077,1085 1.78,1086 5.474,1087 30.305,1088 2.735,1089 18.879,1090 23.543,1091 9.506,1092 38.049,1093 18.217,1094 10340,1095 18140,1096 21.383,1097 36.103,1098 50.639,1099 53.279,1100 52.822,1101 50.381,1102 50.396,1103 65.145,1104 5.888,1105 154.655,1106 49.377,1107 5.801,1108 6.684,1109 6.975,1110 5.378,1111 5.397,1112 7.71,1113 3.272,1114 19.645,1115 5.224,1116 17.649,1117 1.535,1118 1.615,1119 1.601,1120 1.527,1121 1.527,1122 1.974,1123 0.178,1124 4.687,1125 1.496,1126 4.14,1127 4.157,1128 4.735,1129 4.099,1130 7.717,1131 4.058,1132 4.036,1133 4.045,1134 4.047,1135 3.966,1136 7.437,1137 3.941,1138 3.799,1139 3.792,1140 3.864,1141 3.707,1142 7.429,1143 3.65,1144 3.637,1145 3.69,1146 3.524,1147 3.478,1148 6.999,1149 3.472,1150 3.487,1151 3.545,1152 3.387,1153 3.326,1154 4.888,1155 3.324,1156 3.317,1157 3.369,1158 3.24,1159 3.14,1160 4.822,1161 3.148,1162 3.113,1163 3.201,1164 2.934,1165 2.919,1166 4.683,1167 2.906,1168 3.09,1169 3.146,1170 2.907,1171 2.873,1172 4.151,1173 2.849,1174 0.147,1175 0.142,1176 0.221,1177 0.131,1178 0.103,1179 4.855,1180 0.143,1181 4.684,1182 0.057,1183 7.294,1184 0.375,1185 4.33,1186 0.098,1187 3.397,1188 4.71,1189 1.886,1190 12.389,1191 3.224,1192 1.964,1193 1.973,1194 2.052,1195 2.022,1196 1.405,1197 2.059,1198 1.869,1199 1.83,1200 1.973,1201 1.99,1202 1.211,1203 2.013,1204 1.731,1205 1.699,1206 1.878,1207 1.89,1208 1.156,1209 1.891,1210 1.55,1211 1.536,1212 1.677,1213 1.744,1214 0.843,1215 1.754,1216 1.485,1217 1.459,1218 1.65,1219 1.713,1220 0.757,1221 1.705,1222 1.261,1223 1.218,1224 1.465,1225 1.529,1226 0.687,1227 1.497,1228 1.15,1229 1.085,1230 1.373,1231 1.397,1232 0.582,1233 1.399,1234 1.09,1235 1.013,1236 1.308,1237 1.32,1238 0.425,1239 1.367,1240 4.205,1242 5.572,1243 3.045,1244 7.125,1245 5.533,1246 8.761,1247 7.719,1248 10.444,1250 1.344,1254 5.363,1256 4.759,1257 5.077,1267 34.4,1268 92.486,1269 211.796,1270 263.254,1271 286.009,1272 290.009,1273 290.009,1274 74.213,1275 8.009,1276 137.91,1277 146.29,1278 22,1279 12.882,1280 4.087,1281 3.524,1282 46.737,1283 113,1284 109,1285 0.205,1286 213.51,1287 377.17,1288 512.724,1289 33454,1291 21.466,1292 0.716,1293 0.583,1294 21.716,1295 17.487,1296 14.297,1297 0.433,1298 0.345,1299 9.926,1300 12.968,1301 9.582,1302 7.897,1303 15.118,1304 11.401,1305 13.728,1306 0.28,1307 0.193,1308 15.103,1309 9.461,1310 11.401,1311 0.173,1312 0.108,1313 12.54,1314 7.118,1315 9.167,1316 0.104,1317 0.056,1318 9.776,1319 4.93,1320 7.647,1321 0.067,1322 0.032,1323 8.182,1324 3.602,1325 0.314,1326 97.783,1327 0.216,1328 27.767,1329 0.584,1330 164,1331 496.113,1332 215.805,1333 499.236,1334 670.8,1335 458,1336 197,1337 461.883,1338 252.54,1339 502.971,1340 736.82,1341 473,1342 8}
{0 CHEMBL57143,1 1.562,2 14.432,3 3.643,4 13.272,5 148.638,6 7.024,7 0.268,8 4.403,9 4.524,10 4.026,11 3.95,12 5.339,13 3.89,14 5.017,15 5.204,16 4.346,17 4.389,18 6.053,19 4.305,20 5.312,21 5.54,22 4.387,23 4.56,24 6.266,25 4.441,26 5.384,27 5.621,28 4.304,29 4.574,30 6.308,31 4.433,32 5.379,33 5.643,34 4.305,35 4.517,36 6.261,37 4.371,38 5.322,39 5.577,40 4.329,41 4.48,42 6.242,43 4.356,44 5.283,45 5.522,46 4.331,47 4.485,48 6.314,49 4.372,50 5.318,51 5.542,52 4.333,53 4.529,54 6.276,55 4.401,56 0.1,57 1.128,58 20.427,59 7.787,60 16.668,61 10.153,62 0.388,63 1.888,64 36.862,65 13.15,66 58.359,67 17.976,68 0.524,69 2.322,70 51.873,71 17.814,72 68.568,73 24.263,74 0.474,75 2.386,76 52.369,77 18.764,78 77.95,79 26.21,80 0.537,81 2.311,82 53.285,83 18.385,84 72.186,85 26.173,86 0.617,87 2.224,88 51.474,89 17.226,90 72.989,91 24.373,92 0.613,93 2.193,94 47.131,95 16.134,96 110.01,97 23.276,98 0.572,99 2.313,100 49.65,101 16.878,102 75.466,103 23.641,104 34,105 59,106 0.241,107 0.552,108 0.75,109 0.825,110 0.85,111 0.867,112 3.642,113 1.114,114 -3.29,115 -3.27,116 -3.14,118 37.3,119 1,120 6,124 8,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 1,172 7,173 12,176 1,177 9,180 1,182 7,184 13,188 7,193 3,195 14,200 6,203 1,204 1,205 2,208 14,213 7,216 4,218 3,221 10,224 2,225 7,230 5,233 9,237 8,240 2,242 3,245 7,248 1,249 7,252 2,254 2,257 6,260 2938,261 25.143,262 25.143,263 25.143,264 25.143,265 25.143,266 23.297,267 30.449,268 14.609,269 25.928,270 20.124,271 20.124,272 20.124,273 20.124,274 20.124,275 16.902,276 33.511,277 6.766,278 21.212,279 4.667,280 2.658,281 1.381,282 0.89,283 0.73,284 0.623,285 4.346,289 1,290 1158,291 4.301,293 159.022,294 316.671,297 302.067,301 2.12,302 44.855,305 0.75,306 0.83,307 0.67,308 0.9,309 1,310 0.83,311 1,312 0.85,313 80,314 534,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.215,324 4.589,325 3.657,326 6.786,327 4.19,328 3.224,329 4.294,330 1.058,331 11.195,332 3.095,333 4.44,334 3.37,335 6.683,336 4.065,337 3.095,338 4.029,339 0.8,340 10.8,341 2.821,342 3.687,343 2.983,344 5.615,345 3.578,346 2.657,347 3.084,348 0.8,349 7.387,350 2.446,351 3.657,352 2.889,353 5.491,354 3.273,355 2.285,356 2.669,358 7.272,359 2.253,360 3.432,361 2.59,362 5.429,363 3.151,364 2.221,365 2.643,367 6.557,368 2.112,369 3.226,370 2.583,371 5.128,372 3.088,373 2.099,374 2.317,376 6.363,377 2.016,378 3.132,379 2.452,380 4.908,381 2.787,382 1.812,383 2.225,385 5.401,386 1.759,387 3.034,388 2.095,389 4.839,390 2.634,391 1.669,392 2.168,394 5.101,395 1.607,396 2.953,397 1.835,398 4.685,399 2.516,400 1.527,401 2.077,403 4.475,404 1.494,405 2.519,406 1.585,407 3.861,408 2.365,409 1.371,410 1.49,411 3.126,412 1.362,413 2.375,414 1.488,415 3.615,416 2.296,417 1.311,418 1.346,419 2.916,420 1.29,421 2.301,422 1.371,423 3.581,424 2.022,425 1.093,426 1.191,427 2.275,428 1.007,429 2.088,430 1.146,431 3.414,432 1.967,433 1,434 1.077,435 2.232,436 0.965,437 2,438 1.097,439 3.33,440 1.828,441 0.838,442 1,443 1.953,444 0.826,445 17.767,446 0.48,447 0.953,448 0.026,449 40.5,450 1.095,451 16.5,452 0.446,453 24,454 0.649,455 42.11,456 1.138,457 42.233,458 0.563,459 32.926,460 0.89,461 7.155,462 0.193,463 10.736,464 0.29,465 0.103,466 0.047,467 0.298,471 0.683,472 1.411,473 0.902,474 1.228,475 0.652,476 1.057,477 0.795,478 1.157,479 0.975,480 1.033,481 0.563,482 0.991,483 0.921,484 0.988,485 1.071,486 1.031,487 0.79,488 0.986,489 0.956,490 1.074,491 0.962,492 1.031,493 0.946,494 1.102,495 0.778,496 0.959,497 0.778,498 0.899,499 0.763,500 0.937,501 0.747,502 0.961,503 0.814,504 0.92,505 0.748,506 0.904,507 0.781,508 1.018,509 0.786,510 0.896,511 0.722,512 0.947,513 1.039,514 1.121,515 1.055,516 1.054,517 0.978,518 1.134,519 8,520 0.312,521 4.889,522 2.965,523 1.618,524 1.476,525 1.173,526 0.675,527 0.416,528 0.47,529 21411,530 51562,531 2.093,532 50.7,533 8,534 20,537 3,538 2,539 5,542 1.784,543 1.956,544 3.745,545 0.782,550 117.134,551 1.562,552 3.571,553 4.848,554 5.339,555 5.499,556 5.605,557 3.237,558 4.811,559 5.175,560 3.933,561 2619.69,562 9.126,563 42785,568 467.161,569 1.531,570 5.134,571 0.195,572 0.007,573 0.083,574 0.049,575 0.03,576 0.028,577 0.021,578 0.012,579 0.008,580 0.01,581 0.442,582 0.33,583 0.75,584 0.986,585 203.934,586 0.024,587 -0.11,588 0.169,589 0.004,590 -0.084,591 0.044,592 0.049,593 0.018,594 0.021,595 0.039,596 0.135,597 0.037,598 -0.049,599 0.082,600 -0.051,601 0.015,602 0.028,603 0.026,604 -0.095,605 -0.069,606 -0.087,607 -0.071,608 -0.048,609 -0.1,610 0.038,611 -0.002,612 0.105,613 0.04,614 0.009,615 0.057,616 0.107,617 0.032,618 0.111,619 0.039,620 0.039,621 0.087,622 0.088,623 -0.002,624 0.069,625 0.037,626 0.145,627 0.044,628 -0.087,629 -0.056,630 -0.13,631 -0.084,632 -0.07,633 -0.147,634 4.284,635 5.945,636 0.649,637 44.893,638 0.998,639 1.131,640 2.057,641 4.233,642 0.646,643 3.738,644 4.094,645 4.394,646 4.663,647 4.905,648 5.043,649 5.252,650 5.412,651 5.468,652 5.62,653 8.137,654 0.601,655 526.77,656 3.738,657 5.303,658 6.172,659 7.069,660 7.958,661 8.862,662 9.761,663 10.669,664 11.574,665 12.485,666 5.3,669 2,673 1,674 1,681 3,683 1,686 7,688 11,705 75,706 15,707 1,708 41,710 79,711 28,712 10,713 3,714 3,715 3,717 5,718 7,721 2,724 4,727 6,729 13,730 15,733 4,736 1,737 3,738 1,740 2,747 38,748 7,749 3,750 9,751 1,755 4,760 0.6,761 4,762 1,775 1,778 2,779 3,782 2,790 1,795 1,796 1,800 2,801 1,803 3,805 1,807 1,811 37,814 1,816 1,817 14,818 1,822 2,833 5.3,834 1,836 3,841 18.917,842 13.35,843 8.125,844 5.033,847 3.072,848 1.354,849 0.988,850 8.106,851 11.763,852 3.942,853 4.53,854 5.067,855 5.6,856 6.103,857 6.509,858 6.953,859 7.349,860 7.633,861 8.008,862 0.9,863 61,864 14.05,865 6.331,866 7.741,867 27.204,868 23.696,869 2.241,870 82.917,874 411.989,875 108.785,876 41.045,878 112.141,880 6.046,881 102.739,882 524.13,883 41.045,884 8.825,885 46.752,886 86.634,887 74.163,888 40.084,889 5.513,890 411.989,892 411.989,893 143.784,894 112.141,895 6.046,897 353.133,898 128.313,899 42.683,900 78.611,901 55.697,902 15.522,904 411.989,905 153.186,906 108.785,908 6.046,909 411.989,910 56.009,911 52.979,912 34.796,913 112.141,914 411.989,915 153.186,916 108.785,918 0.585,919 0.349,920 0.184,921 0.1,922 29,923 13,924 0.114,925 9,926 2,927 1.167,928 4.675,929 367.03,930 0.167,931 24,932 186.75,935 1,936 26.489,937 11.323,938 5.678,940 136.401,941 4.901,943 3.626,946 6.545,948 77.48,949 673.96,950 50.5,953 -3.368,954 37.914,955 1.935,957 0.323,960 74.814,961 84.809,962 0.251,963 0.573,964 0.778,965 0.857,966 0.883,967 0.9,968 5.224,969 1.812,970 6.188,971 6.363,972 4.779,973 5.218,974 3.116,975 7.059,976 4.685,977 6.441,978 1.669,979 7.79,980 5.401,981 4.511,982 5.316,983 0.57,984 8.228,985 4.316,986 7.791,987 1.527,988 9.502,989 5.101,990 6.466,991 7.486,992 5.049,993 11.289,994 6.26,995 9.185,996 1.371,997 11.282,998 4.475,999 7.04,1000 8.445,1001 0.479,1002 13.292,1003 6.727,1004 10.62,1005 1.311,1006 13.106,1007 3.126,1008 8.49,1009 10.163,1010 7.187,1011 15.932,1012 8.161,1013 12.083,1014 1.093,1015 14.961,1016 2.916,1017 9.424,1018 11.46,1019 0.346,1020 18.239,1021 9.003,1022 13.568,1023 1,1024 16.84,1025 2.275,1026 10.697,1027 13.038,1028 9.348,1029 20.761,1030 10.247,1031 3.397,1032 0.838,1033 18.735,1034 2.232,1035 11.782,1036 14.465,1037 0.237,1038 23.176,1039 11.257,1040 3.224,1041 12.389,1042 20.645,1043 1.953,1044 12.996,1045 16,1046 11.511,1047 25.666,1048 12.432,1049 3.095,1050 11.195,1051 22.565,1052 4.71,1053 14.144,1054 17.479,1055 0.158,1056 28.122,1057 13.516,1058 2.657,1059 10.8,1060 24.493,1061 4.294,1062 15.34,1063 19.002,1064 13.675,1065 30.606,1066 14.667,1067 2.285,1068 7.387,1069 26.429,1070 4.029,1071 16.514,1072 20.506,1073 0.104,1074 33.08,1075 15.785,1076 2.221,1077 7.272,1078 28.37,1079 3.084,1080 17.706,1081 22.027,1082 15.838,1083 35.566,1084 16.93,1085 2.099,1086 6.557,1087 30.316,1088 2.669,1089 18.893,1090 23.543,1091 0.068,1092 38.05,1093 18.064,1094 20307,1095 31776,1096 27.334,1097 48.432,1098 61.717,1099 64.85,1100 64.191,1101 61.661,1102 61.524,1103 75.181,1104 11.217,1105 183.611,1106 58.776,1107 5.855,1108 7.244,1109 7.064,1110 5.365,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.215,1116 18.972,1117 1.505,1118 1.582,1119 1.566,1120 1.504,1121 1.501,1122 1.834,1123 0.274,1124 4.478,1125 1.434,1126 4.15,1127 4.164,1128 4.741,1129 4.132,1130 7.714,1131 4.071,1132 4.043,1133 4.05,1134 4.049,1135 3.977,1136 7.429,1137 3.952,1138 3.862,1139 3.937,1140 3.864,1141 3.746,1142 6.999,1143 3.698,1144 3.817,1145 3.81,1146 3.743,1147 3.66,1148 6.456,1149 3.668,1150 3.593,1151 3.661,1152 3.439,1153 3.459,1154 4.83,1155 3.442,1156 3.489,1157 3.555,1158 3.365,1159 3.33,1160 4.682,1161 3.323,1162 3.373,1163 3.434,1164 3.254,1165 3.198,1166 4.374,1167 3.198,1168 3.307,1169 3.37,1170 3.146,1171 3.112,1172 4.106,1173 3.109,1174 0.118,1175 0.128,1176 0.178,1177 0.105,1178 0.083,1179 4.855,1180 0.115,1181 5.244,1182 0.072,1183 7.294,1184 0.302,1185 4.298,1186 0.078,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.215,1192 1.985,1193 2.002,1194 2.059,1195 2.042,1196 1.413,1197 2.077,1198 1.875,1199 1.835,1200 2.017,1201 2.027,1202 1.35,1203 2.045,1204 1.808,1205 1.742,1206 1.978,1207 1.985,1208 1.296,1209 2.006,1210 1.725,1211 1.695,1212 1.88,1213 1.871,1214 1.203,1215 1.881,1216 1.611,1217 1.584,1218 1.786,1219 1.755,1220 1.02,1221 1.793,1222 1.517,1223 1.464,1224 1.712,1225 1.728,1226 0.947,1227 1.727,1228 1.378,1229 1.317,1230 1.645,1231 1.619,1232 0.844,1233 1.628,1234 1.24,1235 1.178,1236 1.513,1237 1.506,1238 0.825,1239 1.486,1240 4.419,1242 5.765,1243 3.045,1244 7.305,1245 5.533,1246 8.928,1247 7.719,1248 10.597,1250 1.632,1255 9.173,1256 12.521,1257 2.902,1261 4.812,1267 45.087,1268 117.134,1269 267.807,1270 363.613,1271 400.407,1272 412.407,1273 420.407,1274 83.469,1275 8.69,1276 109.5,1277 117.88,1278 28,1279 13.001,1280 4,1281 3.392,1282 56.658,1283 174,1284 240,1285 0.152,1286 276.19,1287 488.55,1288 665.664,1289 86352,1291 25.993,1292 0.703,1293 0.608,1294 26.243,1295 22.5,1296 17.891,1297 0.436,1298 0.371,1299 13.563,1300 16.434,1301 13.14,1302 10.763,1303 18.712,1304 15.229,1305 16.363,1306 0.277,1307 0.213,1308 17.738,1309 12.593,1310 14.137,1311 0.177,1312 0.122,1313 15.276,1314 9.759,1315 11.501,1316 0.11,1317 0.064,1318 12.11,1319 6.764,1320 9.449,1321 0.071,1322 0.037,1323 9.984,1324 4.923,1325 0.241,1326 119.88,1327 0.191,1328 33.724,1329 0.414,1330 200,1331 526.173,1332 252.224,1333 525.224,1334 713.58,1335 488,1336 239,1337 492.951,1338 295.759,1339 530.591,1340 782.61,1341 501,1342 7.398}
{0 CHEMBL572878,1 1.625,2 12.697,3 4.445,4 19.761,5 134.268,6 7.617,7 0.459,8 4.223,9 4.36,10 3.852,11 3.746,12 5.264,13 3.713,14 4.754,15 4.955,16 4.209,17 4.106,18 5.761,19 4.045,20 4.954,21 5.18,22 4.195,23 4.222,24 5.917,25 4.121,26 5.007,27 5.26,28 4.138,29 4.196,30 5.957,31 4.072,32 4.907,33 5.156,34 4.169,35 4.155,36 5.872,37 4.06,38 4.828,39 5.024,40 4.211,41 4.193,42 5.828,43 4.088,44 4.877,45 5.098,46 4.185,47 4.188,48 5.82,49 4.069,50 4.879,51 5.109,52 4.1,53 4.188,54 5.766,55 4.061,56 0.058,57 1.019,58 13.326,59 5.246,60 8.981,61 7.112,62 0.337,63 1.582,64 26.662,65 8.349,66 28.572,67 11.98,68 0.383,69 1.783,70 34.938,71 10.824,72 36.022,73 14.782,74 0.476,75 1.767,76 39.027,77 11.848,78 54.352,79 16.633,80 0.399,81 1.668,82 35.152,83 10.423,84 44.42,85 14.572,86 0.305,87 1.694,88 33.497,89 10.442,90 33.706,91 13.463,92 0.467,93 1.725,94 36.591,95 10.82,96 34.713,97 14.386,98 0.214,99 1.664,100 32.442,101 11.143,102 27.062,103 15.27,104 10,105 52,106 0.261,107 0.597,108 0.766,109 0.828,110 0.828,111 0.828,112 3.532,113 0.976,114 -5.31,115 -5.2,116 -4.86,118 37.7,119 1,120 2,121 1,123 1,124 4,138 6,140 2,143 3,146 1,148 1,151 1,161 1,163 5,166 2,167 7,170 3,172 7,173 5,176 1,177 3,181 1,182 4,184 4,187 2,188 9,191 2,193 2,195 4,199 1,200 7,203 1,205 2,208 6,212 2,213 6,218 2,221 8,224 1,225 4,228 5,230 3,233 3,237 4,245 5,248 3,249 7,252 1,253 1,254 3,257 2,260 2224,261 22.375,262 22.375,263 22.375,264 22.375,265 22.375,266 20.203,267 36.777,268 13.122,269 23.1,270 18.315,271 18.315,272 18.315,273 18.315,274 18.315,275 14.949,276 58.816,277 6.359,278 19.516,279 4.306,280 2.217,281 1.164,282 0.779,283 0.779,284 0.779,285 4.231,289 1,290 927,291 3.317,292 72.439,293 100.105,294 349.914,301 1.967,302 24.624,305 1,306 0.67,307 1,308 1,309 1,310 1,311 1,312 0.95,313 71,314 419,315 4.296,316 4.555,317 6.219,318 3.918,319 2.984,320 3.915,321 2.95,322 9.411,323 2.913,324 4.12,325 3.735,326 6.118,327 3.897,328 2.914,329 3.699,330 1.907,331 8.907,332 2.739,333 4.076,334 3.235,335 5.696,336 3.665,337 2.721,338 3.637,339 0.8,340 7.983,341 2.57,342 3.943,343 3.028,344 5.581,345 3.594,346 2.66,347 3.172,348 0.8,349 7.678,350 2.505,351 3.693,352 2.884,353 5.379,354 3.413,355 2.481,356 2.896,357 0.4,358 7.062,359 2.291,360 3.5,361 2.628,362 5.177,363 3.162,364 2.251,365 2.761,366 0.149,367 6.512,368 2.027,369 3.32,370 2.511,371 5.019,372 3.097,373 2.176,374 2.502,376 6.016,377 1.996,378 3.23,379 2.424,380 4.854,381 2.839,382 1.918,383 2.339,385 5.566,386 1.749,387 2.999,388 2.266,389 4.523,390 2.585,391 1.643,392 2.164,394 4.641,395 1.544,396 2.827,397 1.902,398 4.241,399 2.497,400 1.485,401 1.806,403 3.873,404 1.478,405 2.525,406 1.496,407 4.212,408 2.22,409 1.296,410 1.529,411 3.71,412 1.194,413 2.5,414 1.146,415 3.414,416 2,417 1,418 1.5,419 2.275,420 1,421 2.207,422 1.035,423 3.414,424 1.967,425 1,426 1.069,427 2.275,428 0.965,429 2,430 1,431 3.274,432 1.713,433 0.73,434 1,435 1.735,436 0.716,437 1.524,438 0.772,439 3.035,440 1.145,441 0.243,442 0.294,443 0.623,444 0.213,445 15.867,446 0.481,447 0.831,448 0.025,449 42.25,450 1.28,451 19.5,452 0.591,453 22.75,454 0.689,455 29.594,456 0.897,457 35.733,458 0.586,459 31.31,460 0.949,461 7.95,462 0.241,463 8.063,464 0.244,465 0.084,467 0.334,471 0.846,472 1.424,473 0.766,474 1.035,475 0.61,476 0.965,477 0.844,478 1.167,479 0.835,480 0.974,481 0.529,482 0.932,483 1.259,484 1.066,485 1.108,486 1.013,487 1.154,488 1.008,489 1.025,490 0.973,491 0.987,492 0.99,493 1.167,494 0.955,495 1.077,496 0.918,497 0.916,498 0.826,499 1.004,500 0.76,501 1.123,502 1.263,503 1.39,504 1.299,505 0.981,506 1.1,507 0.858,508 1.033,509 1.346,510 1.267,511 0.643,512 1.09,513 0.802,514 1.164,515 1.033,516 1.101,517 0.55,518 1.055,519 8,520 0.237,521 2.5,522 2.201,523 1.293,524 1.042,525 0.754,526 0.535,527 0.315,528 0.309,529 17151,530 40945,531 2.15,532 45.9,533 4,534 17,537 3,538 4,542 1.755,543 2.041,544 3.619,545 0.892,550 99.127,551 1.625,552 3.714,553 4.766,554 5.152,555 5.152,556 5.152,557 3.068,558 4.378,559 5.01,560 3.837,561 2025.97,562 8.795,563 31258.6,568 361.775,569 1.301,570 4.989,571 0.216,572 0.007,573 0.051,574 0.047,575 0.03,576 0.022,577 0.016,578 0.012,579 0.007,580 0.008,581 0.417,582 0.17,583 0.75,584 0.467,585 176.508,586 -0.01,587 -0.188,588 0.077,589 -0.02,590 -0.007,591 0.006,592 0.139,593 -0.033,594 0.116,595 0.01,596 0.159,597 0.02,598 -0.162,599 0.003,600 -0.073,601 -0.002,602 -0.114,603 -0.049,604 0.017,605 0.004,606 0.057,607 0.025,608 -0.013,609 0.033,610 -0.045,611 0.101,612 0.152,613 0.198,614 -0.001,615 0.219,616 -0.129,617 -0.104,618 -0.135,619 -0.1,620 -0.103,621 -0.104,622 0.05,623 0.097,624 -0.104,625 -0.1,626 -0.06,627 -0.096,628 -0.062,629 -0.122,630 -0.004,631 -0.032,632 -0.02,633 -0.039,634 1.553,635 4.99,636 0.788,637 40.854,638 1.001,639 1.136,640 4.08,641 16.644,642 0.668,643 3.638,644 3.97,645 4.159,646 4.407,647 4.595,648 4.682,649 4.844,650 5.024,651 5.159,652 5.278,653 7.753,654 0.629,655 464.66,656 3.638,657 5.187,658 6.028,659 6.901,660 7.753,661 8.627,662 9.484,663 10.359,664 11.219,665 12.094,666 13.1,669 1,672 1,673 1,674 2,676 3,681 6,682 3,683 1,686 7,688 17,699 1,701 1,705 61,706 18,707 1,708 37,710 65,711 23,712 13,713 2,714 4,717 5,718 5,721 1,724 2,725 1,727 2,729 14,730 9,731 1,733 1,737 1,740 1,747 28,748 8,749 3,750 10,751 1,755 8,760 1,761 1,771 1,774 1,777 1,778 1,779 3,790 1,800 1,803 5,804 1,805 1,807 2,811 33,817 6,818 2,820 1,821 1,822 2,833 1.6,836 1,841 16.167,842 11.417,843 7.056,844 3.693,847 2.816,848 1.358,849 1.006,850 6.649,851 10.683,852 3.861,853 4.422,854 4.882,855 5.42,856 5.838,857 6.062,858 6.481,859 6.912,860 7.276,861 7.623,862 1,863 47,864 12.207,865 5.202,866 7.591,867 23.779,868 19.859,869 2.091,870 69,874 294.278,875 139.236,876 109.167,878 25.145,880 32.22,881 107.017,882 319.422,883 109.167,884 17.222,885 31.503,886 56.857,887 80.084,888 45.23,889 10.434,890 326.497,892 294.278,893 216.184,894 25.145,895 32.22,897 294.278,898 25.145,900 78.819,901 87.131,902 50.234,903 32.22,904 294.278,905 134.312,906 139.236,909 294.278,910 65.157,911 80.328,912 52.685,913 75.379,914 294.278,915 134.312,916 139.236,918 0.587,919 0.316,920 0.165,921 0.088,922 26,923 11,924 0.108,925 7,927 1,928 4.587,929 303.604,931 26,932 156.465,933 1,936 22.356,937 9.816,938 6.121,940 117.649,941 11.763,942 13.842,943 2.949,946 5.813,948 52.685,949 567.826,950 46.5,954 11.99,957 0.114,960 61.054,961 69.268,962 0.274,963 0.626,964 0.804,965 0.869,966 0.869,967 0.869,968 5.113,969 1.918,970 6.009,971 6.016,972 4.654,973 5.109,974 3.284,975 6.774,976 4.534,977 6.305,978 1.643,979 7.54,980 5.566,981 4.29,982 4.879,983 1.738,984 7.564,985 4.114,986 7.596,987 1.485,988 9.158,989 4.641,990 6.232,991 7.194,992 5.14,993 10.572,994 5.999,995 8.911,996 1.296,997 10.825,998 3.873,999 6.594,1000 7.692,1001 3.061,1002 12.103,1003 6.317,1004 10.251,1005 1,1006 12.521,1007 3.71,1008 8.043,1009 9.528,1010 7.226,1011 14.633,1012 7.715,1013 11.607,1014 1,1015 14.238,1016 2.275,1017 8.746,1018 10.383,1019 4.414,1020 16.504,1021 8.384,1022 12.976,1023 0.73,1024 15.97,1025 2.275,1026 9.981,1027 11.996,1028 9.364,1029 18.844,1030 9.574,1031 2.984,1032 0.243,1033 17.714,1034 1.735,1035 10.859,1036 13.049,1037 5.75,1038 20.885,1039 10.421,1040 2.914,1041 9.411,1042 19.467,1043 0.623,1044 11.997,1045 14.545,1046 11.518,1047 23.146,1048 11.519,1049 2.721,1050 8.907,1051 21.228,1052 3.915,1053 12.964,1054 15.712,1055 7.068,1056 25.272,1057 12.457,1058 2.66,1059 7.983,1060 22.996,1061 3.699,1062 14.058,1063 17.142,1064 13.678,1065 27.502,1066 13.516,1067 2.481,1068 7.678,1069 24.77,1070 3.637,1071 15.073,1072 18.377,1073 8.374,1074 29.673,1075 14.502,1076 2.251,1077 7.062,1078 26.549,1079 3.172,1080 16.149,1081 19.77,1082 15.84,1083 31.892,1084 15.546,1085 2.176,1086 6.512,1087 28.332,1088 2.896,1089 17.189,1090 21.046,1091 9.674,1092 34.087,1093 16.558,1094 15830,1095 24682,1096 25.255,1097 40.762,1098 55.819,1099 58.537,1100 56.152,1101 55.046,1102 55.005,1103 68.565,1104 14.012,1105 156.537,1106 51.804,1107 5.296,1108 6.555,1109 5.633,1110 5.07,1111 4.984,1112 6.915,1113 5.9,1114 15.729,1115 4.913,1116 13.885,1117 1.509,1118 1.582,1119 1.518,1120 1.488,1121 1.487,1122 1.853,1123 0.379,1124 4.231,1125 1.4,1126 4.008,1127 4.06,1128 4.088,1129 3.907,1130 7.428,1131 3.894,1132 3.935,1133 3.984,1134 3.883,1135 3.782,1136 5.054,1137 3.793,1138 3.868,1139 3.934,1140 3.827,1141 3.755,1142 4.914,1143 3.752,1144 3.83,1145 3.87,1146 3.761,1147 3.666,1148 4.72,1149 3.686,1150 3.682,1151 3.748,1152 3.619,1153 3.503,1154 4.373,1155 3.511,1156 3.208,1157 3.302,1158 3.346,1159 3.073,1160 4.212,1161 3.029,1162 3.189,1163 3.249,1164 3.037,1165 2.941,1166 4.07,1167 2.936,1168 3.111,1169 3.206,1170 3.006,1171 2.93,1172 3.92,1173 2.91,1174 0.116,1175 0.123,1176 0.168,1177 0.106,1178 0.081,1179 4.296,1180 0.106,1181 4.555,1182 0.08,1183 6.219,1184 0.254,1185 3.918,1186 0.079,1187 2.984,1188 3.915,1189 2.95,1190 9.411,1191 2.913,1192 1.896,1193 1.872,1194 1.997,1195 2.049,1196 1.29,1197 2.039,1198 1.824,1199 1.766,1200 1.971,1201 1.972,1202 1.089,1203 1.981,1204 1.662,1205 1.601,1206 1.81,1207 1.869,1208 0.897,1209 1.851,1210 1.573,1211 1.516,1212 1.744,1213 1.786,1214 0.846,1215 1.783,1216 1.392,1217 1.362,1218 1.548,1219 1.611,1220 0.825,1221 1.589,1222 1.286,1223 1.204,1224 1.533,1225 1.579,1226 0.825,1227 1.55,1228 1.153,1229 1.064,1230 1.513,1231 1.427,1232 0.803,1233 1.448,1234 1.153,1235 1.064,1236 1.513,1237 1.376,1238 0.623,1239 1.429,1240 4.317,1241 1.946,1242 5.645,1243 3.932,1244 7.146,1245 5.82,1246 8.721,1247 7.63,1248 10.336,1250 4.105,1256 5.843,1257 6.274,1259 1.502,1260 0.189,1261 4.617,1267 38.341,1268 99.127,1269 226.535,1270 290.755,1271 314.265,1272 314.265,1273 314.265,1274 48.478,1275 7.867,1276 102.07,1277 127.37,1278 26,1279 12.637,1280 4.248,1281 3.392,1282 47.709,1283 148,1284 162,1285 0.149,1286 237.562,1287 403.5,1288 571.412,1289 28604,1291 22.786,1292 0.69,1293 0.596,1294 23.139,1295 19.653,1296 16.013,1297 0.433,1298 0.325,1299 11.12,1300 14.889,1301 10.765,1302 8.913,1303 16.421,1304 12.037,1305 14.912,1306 0.287,1307 0.186,1308 15.607,1309 9.676,1310 11.612,1311 0.184,1312 0.101,1313 12.316,1314 6.345,1315 9.615,1316 0.119,1317 0.053,1318 10.408,1319 4.318,1320 7.449,1321 0.076,1322 0.031,1323 8.286,1324 2.992,1325 0.236,1326 104.552,1327 0.199,1328 31.013,1329 0.402,1330 178,1331 481.82,1332 222.991,1333 491.773,1334 682.75,1335 462,1336 207,1337 501.549,1338 245.856,1339 522.965,1340 762.14,1341 491,1342 6.328}
{0 CHEMBL572881,1 1.481,2 11.607,3 2.721,4 7.405,5 112.492,6 7.324,7 0.581,8 4.026,9 4.158,10 3.583,11 3.584,12 5.127,13 3.56,14 4.543,15 4.722,16 3.947,17 3.989,18 5.597,19 3.943,20 4.804,21 5.002,22 3.986,23 4.133,24 5.824,25 4.048,26 4.944,27 5.207,28 3.872,29 4.072,30 5.953,31 3.953,32 4.791,33 5.051,34 3.727,35 3.926,36 5.79,37 3.819,38 4.617,39 4.86,40 3.735,41 3.836,42 5.672,43 3.762,44 4.517,45 4.719,46 3.767,47 3.836,48 5.639,49 3.782,50 4.591,51 4.81,52 3.688,53 3.821,54 5.705,55 3.736,56 0.04,57 0.782,58 10.48,59 4.319,60 8.837,61 5.92,62 0.184,63 1.248,64 19.045,65 7.308,66 22.805,67 10.274,68 0.136,69 1.538,70 25.469,71 9.702,72 26.884,73 13.703,74 0.465,75 1.622,76 32.551,77 10.79,78 57.557,79 15.809,80 0.314,81 1.36,82 28.07,83 9.36,84 48.465,85 13.434,86 0.287,87 1.179,88 23.119,89 7.743,90 40.926,91 11.076,92 0.197,93 1.146,94 19.533,95 6.735,96 31.198,97 9.43,98 0.234,99 1.158,100 21.817,101 7.857,102 41.779,103 10.85,104 10,105 44,106 0.247,107 0.6,108 0.767,109 0.84,110 0.849,111 0.849,112 3.374,113 0.9,114 -4.02,115 -3.97,116 -3.76,118 43.1,119 2,122 1,124 2,138 7,139 3,140 2,141 3,143 1,151 1,163 9,167 5,170 2,172 8,173 9,177 3,182 8,184 5,187 1,188 4,191 2,192 2,193 4,195 7,200 3,203 1,205 1,208 6,213 4,216 1,218 6,221 7,224 1,225 5,230 4,233 5,237 4,240 1,241 1,242 2,245 6,248 1,249 2,252 1,254 1,257 8,260 1276,261 18.886,262 18.886,263 18.886,264 18.886,265 18.886,266 16.606,267 27.538,268 11.14,269 19.161,270 15.315,271 15.315,272 15.315,273 15.315,274 15.315,275 11.861,276 44.521,277 5.303,278 15.732,279 4.191,280 2.071,281 1.072,282 0.633,283 0.579,284 0.579,285 4.071,288 1,289 1,290 711,291 3.464,293 67.027,294 258.362,297 115.361,301 1.893,302 21.663,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 59.5,314 325,315 4.62,316 3.691,317 7.414,318 4.461,319 3.468,320 4.097,321 1.058,322 12.923,323 3.444,324 4.343,325 3.599,326 6.456,327 3.983,328 3,329 3.938,330 0.657,331 9.967,332 2.948,333 3.903,334 2.84,335 5.753,336 3.555,337 2.581,338 3.442,339 0.4,340 7.943,341 2.516,342 3.866,343 2.65,344 5.364,345 3.49,346 2.501,347 3.207,349 6.992,350 2.472,351 3.436,352 2.551,353 5.273,354 3.086,355 2.119,356 2.651,358 6.511,359 2.039,360 3.176,361 2.121,362 4.891,363 2.802,364 1.829,365 2.356,367 5.299,368 1.772,369 2.975,370 1.707,371 4.478,372 2.52,373 1.563,374 2.157,376 3.961,377 1.495,378 2.861,379 1.594,380 3.899,381 2.418,382 1.441,383 2.017,385 3.345,386 1.405,387 2.796,388 1.483,389 3.625,390 2.367,391 1.414,392 1.899,394 3.056,395 1.343,396 2.538,397 1.312,398 3.572,399 2.003,400 1.021,401 1.5,403 2.548,404 0.995,405 2.5,406 1,407 3.417,408 1.984,409 1,410 1.492,411 2.136,412 0.983,413 1.885,414 0.886,415 3.247,416 1.658,417 0.703,418 0.809,419 1.687,420 0.67,421 1.849,422 0.805,423 3.076,424 1.554,425 0.618,426 0.736,427 1.424,428 0.577,429 1.242,430 0.515,431 2.836,432 0.914,433 -0.066,434 -0.081,435 -0.176,436 -0.064,437 1.019,438 -0.033,439 2.601,440 0.638,441 -0.337,442 -0.424,443 -0.809,444 -0.327,445 13.333,446 0.476,447 0.731,448 0.026,449 39.25,450 1.402,451 21,452 0.75,453 18.25,454 0.652,455 21.429,456 0.765,457 29.267,458 0.574,459 28.421,460 1.015,461 7.608,462 0.272,463 5.919,464 0.211,465 0.1,466 0.038,467 0.263,471 0.851,472 1.272,473 0.813,474 1.011,475 0.646,476 0.917,477 0.772,478 1.068,479 0.839,480 0.937,481 0.592,482 0.896,483 0.956,484 1.36,485 1.083,486 1.279,487 0.876,488 1.21,489 0.96,490 0.914,491 1.017,492 0.985,493 0.922,494 1.001,495 1.313,496 0.914,497 0.994,498 0.919,499 1.495,500 0.922,501 1.279,502 0.903,503 0.859,504 0.788,505 1.47,506 0.78,507 1.338,508 1.044,509 1.029,510 0.992,511 1.323,512 0.969,513 1.328,514 1.077,515 1.05,516 1.104,517 1.683,518 1.067,519 6,520 0.119,521 3.556,522 2.264,523 1.062,524 0.934,525 0.409,526 0.395,527 0.302,528 0.217,529 10560,530 24984,531 2.106,532 45.1,533 6,534 11,536 3,537 3,542 1.709,543 1.988,544 3.504,545 0.882,546 1,547 1,550 75.535,551 1.481,552 3.602,553 4.6,554 5.04,555 5.094,556 5.094,557 2.968,558 4.45,559 4.779,560 3.68,561 1391.12,562 8.303,563 18665.1,565 1,567 1,568 289.294,569 1.454,570 4.74,571 0.194,572 0.006,573 0.081,574 0.053,575 0.029,576 0.029,577 0.012,578 0.011,579 0.01,580 0.009,581 0.433,582 0.33,583 1,584 0.517,585 141.664,586 -0.068,587 -0.095,588 0.042,589 0.008,590 -0.06,591 0.035,592 0.08,593 0.044,594 0.066,595 0.06,596 0.081,597 0.062,598 -0.069,599 -0.317,600 -0.158,601 -0.282,602 -0.038,603 -0.24,604 0.141,605 0.055,606 -0.004,607 -0.034,608 0.123,609 -0.035,610 -0.083,611 0.026,612 0.028,613 0.046,614 -0.089,615 0.051,616 -0.018,617 0.067,618 0.152,619 0.182,620 -0.012,621 0.187,622 -0.122,623 0.028,624 -0.067,625 -0.031,626 -0.076,627 -0.035,628 -0.028,629 -0.099,630 -0.062,631 -0.12,632 -0.054,633 -0.103,634 1.859,635 5.852,636 0.75,637 26.827,638 0.996,639 1.126,640 2.789,641 7.781,642 0.673,643 3.466,644 3.807,645 4.06,646 4.304,647 4.466,648 4.477,649 4.605,650 4.71,651 4.754,652 4.787,653 6.9,654 0.638,655 373.5,656 3.466,657 5.017,658 5.866,659 6.751,660 7.615,661 8.505,662 9.376,663 10.268,664 11.143,665 12.038,666 9.8,671 2,673 1,676 2,681 10,682 2,686 6,688 18,694 1,699 2,705 51,706 19,707 1,708 31,710 54,711 22,712 16,713 3,714 3,715 1,717 4,718 5,721 2,722 1,723 1,729 17,730 5,733 1,737 1,740 1,744 1,747 23,748 6,749 3,750 6,755 5,760 0.75,761 1,773 2,778 1,779 3,782 1,803 3,807 2,811 28,817 2,818 3,823 1,833 2,836 1,841 14.083,842 9.65,843 6.042,844 2.931,847 3.416,848 1.45,849 0.993,850 5.014,851 11.011,852 3.738,853 4.324,854 4.866,855 5.389,856 5.86,857 5.928,858 6.235,859 6.524,860 6.781,861 7.063,862 0.875,863 43,864 10.338,865 4.394,866 7.658,867 19.865,868 16.412,869 2.158,870 60.417,873 1,874 235.422,875 137.441,876 87.603,878 25.145,881 137.441,882 260.567,883 87.603,884 17.65,885 22.222,886 66.334,887 134.755,888 42.212,889 2.328,890 200.109,892 235.422,893 225.044,894 25.145,897 235.422,898 25.145,900 67.015,901 88.437,902 69.593,904 235.422,905 112.748,906 137.441,909 235.422,910 26.314,911 111.126,912 54.032,913 58.716,914 235.422,915 112.748,916 137.441,918 0.587,919 0.339,920 0.18,921 0.092,922 22,923 9,924 0.093,925 5,926 1,927 1.095,928 4.038,929 241.147,930 0.095,931 21,932 128.606,936 18.454,937 7.608,938 4.026,940 112.748,941 18.561,942 8.347,946 5.233,948 54.032,949 485.611,950 41,954 12.852,957 -0.192,960 50.789,961 57.438,962 0.261,963 0.635,964 0.811,965 0.888,966 0.898,967 0.898,968 4.98,969 1.441,970 5.878,971 3.961,972 4.489,973 5.011,974 1.487,975 6.725,976 4.441,977 6.194,978 1.414,979 7.465,980 3.345,981 4.205,982 4.771,984 7.921,985 4.177,986 7.51,987 1.021,988 9.169,989 3.056,990 6.159,991 7.165,992 1.369,993 10.969,994 6.084,995 8.864,996 1,997 10.948,998 2.548,999 6.723,1000 7.711,1002 13.033,1003 6.67,1004 10.251,1005 0.703,1006 12.779,1007 2.136,1008 8.182,1009 9.599,1010 1.381,1011 15.695,1012 8.095,1013 11.662,1014 0.618,1015 14.647,1016 1.687,1017 9.119,1018 10.524,1020 18.071,1021 9.047,1022 13.093,1023 -0.066,1024 16.542,1025 1.424,1026 10.406,1027 12.18,1028 1.439,1029 20.641,1030 10.313,1031 3.468,1032 -0.337,1033 18.458,1034 -0.176,1035 11.507,1036 13.308,1038 23.128,1039 11.419,1040 3,1041 12.923,1042 20.39,1043 -0.809,1044 12.74,1045 14.843,1046 1.516,1047 25.679,1048 12.641,1049 2.581,1050 9.967,1051 22.335,1052 4.097,1053 13.911,1054 16.084,1056 28.207,1057 13.812,1058 2.501,1059 7.943,1060 24.291,1061 3.938,1062 15.133,1063 17.554,1064 1.602,1065 30.757,1066 15.025,1067 2.119,1068 6.992,1069 26.255,1070 3.442,1071 16.336,1072 18.86,1074 33.302,1075 16.225,1076 1.829,1077 6.511,1078 28.226,1079 3.207,1080 17.558,1081 20.295,1082 1.691,1083 35.854,1084 17.442,1085 1.563,1086 5.299,1087 30.202,1088 2.651,1089 18.777,1090 21.638,1092 38.406,1093 18.656,1094 9927,1095 15428,1096 20.86,1097 34.336,1098 47.109,1099 47.944,1100 47.121,1101 46.435,1102 46.516,1103 60.603,1104 4.231,1105 135.583,1106 45.316,1107 5.501,1108 5.691,1109 7.216,1110 5.503,1111 5.468,1112 7.097,1113 2.117,1114 20.548,1115 5.444,1116 11.85,1117 1.52,1118 1.547,1119 1.52,1120 1.498,1121 1.501,1122 1.955,1123 0.136,1124 4.374,1125 1.462,1126 4.048,1127 4.084,1128 3.994,1129 3.963,1130 7.429,1131 3.966,1132 3.93,1133 3.972,1134 3.877,1135 3.818,1136 4.925,1137 3.827,1138 3.836,1139 3.875,1140 3.779,1141 3.734,1142 4.853,1143 3.74,1144 3.571,1145 3.63,1146 3.466,1147 3.445,1148 4.784,1149 3.439,1150 3.25,1151 3.342,1152 3.165,1153 3.043,1154 4.258,1155 3.061,1156 3.243,1157 3.289,1158 3.116,1159 2.986,1160 4.12,1161 3.015,1162 3.091,1163 3.186,1164 2.917,1165 2.868,1166 3.894,1167 2.868,1168 2.874,1169 3.009,1170 2.687,1171 2.735,1172 3.826,1173 2.715,1174 0.149,1175 0.119,1176 0.239,1177 0.144,1178 0.112,1179 4.62,1180 0.132,1181 3.691,1182 0.034,1183 7.414,1184 0.417,1185 4.461,1186 0.111,1187 3.468,1188 4.097,1189 1.058,1190 12.923,1191 3.444,1192 1.925,1193 1.899,1194 2.028,1195 2.044,1196 1.272,1197 2.036,1198 1.876,1199 1.84,1200 1.993,1201 1.989,1202 1.107,1203 1.995,1204 1.804,1205 1.771,1206 1.914,1207 1.925,1208 1.022,1209 1.925,1210 1.641,1211 1.581,1212 1.851,1213 1.82,1214 0.948,1215 1.837,1216 1.208,1217 1.146,1218 1.463,1219 1.483,1220 0.548,1221 1.476,1222 1.177,1223 1.104,1224 1.417,1225 1.464,1226 0.537,1227 1.446,1228 1.049,1229 0.969,1230 1.415,1231 1.316,1232 0.469,1233 1.325,1234 0.934,1235 0.821,1236 1.282,1237 1.239,1238 0.286,1239 1.308,1240 4.143,1242 5.476,1243 2.398,1244 7.004,1245 4.844,1246 8.616,1247 7.018,1248 10.272,1250 4.418,1256 1.461,1257 9.634,1262 0.102,1267 32.563,1268 75.535,1269 183.694,1270 234.623,1271 257.029,1272 259.784,1273 259.784,1274 43.47,1275 7.595,1276 78.94,1277 78.94,1278 23,1279 12.568,1280 4.322,1281 3.459,1282 42.516,1283 115,1284 114,1285 0.176,1286 200.922,1287 344.41,1288 482.01,1289 22969,1291 19.562,1292 0.699,1293 0.571,1294 19.562,1295 15.99,1296 13.527,1297 0.436,1298 0.3,1299 9.2,1300 13.12,1301 8.896,1302 7.437,1303 13.527,1304 9.304,1305 12.576,1306 0.286,1307 0.172,1308 12.576,1309 7.561,1310 10.329,1311 0.181,1312 0.088,1313 10.329,1314 4.989,1315 8.636,1316 0.118,1317 0.046,1318 8.636,1319 3.384,1320 6.678,1321 0.078,1322 0.025,1323 6.678,1324 2.174,1325 0.28,1326 84.009,1327 0.219,1328 26.964,1329 0.475,1330 150,1331 388.024,1332 160.874,1333 385.928,1334 535.3,1335 362,1336 176,1337 399.848,1338 187.319,1339 411.351,1340 596.84,1341 386,1342 5.151}
{0 CHEMBL573339,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,118 45.2,124 4,138 6,139 2,140 1,141 1,142 1,143 1,145 1,148 1,154 1,163 6,166 3,167 6,172 2,173 5,176 4,177 7,182 2,184 2,187 2,188 7,193 1,195 1,199 3,200 7,203 2,208 3,212 1,213 6,221 4,224 1,225 6,228 1,230 1,233 4,236 1,237 5,240 1,242 1,245 2,249 3,252 1,254 1,257 1,260 888,261 18.154,262 18.154,263 18.154,264 18.154,265 18.154,266 15.811,267 12.611,268 10.787,269 18.623,270 14.885,271 14.885,272 14.885,273 14.885,274 14.885,275 11.295,276 16.024,277 5.188,278 15.653,279 3.749,280 1.617,281 0.845,282 0.476,283 0.476,284 0.476,285 4.024,287 1,288 1,289 1,290 471,291 2.121,293 37.097,294 226.299,297 148.493,301 1.047,302 26.381,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 57,314 209,315 4.779,316 3.38,317 6.937,318 4.289,319 3.319,320 4.866,321 0.86,322 11.762,323 3.224,324 4.245,325 2.973,326 6.306,327 3.825,328 2.855,329 3.917,330 0.8,331 9.524,332 2.772,333 4.042,334 2.874,335 6.123,336 3.688,337 2.742,338 3.615,340 8.995,341 2.588,342 3.625,343 2.476,344 5.454,345 3.215,346 2.274,347 3.018,349 6.72,350 2.133,351 3.454,352 2.321,353 5.054,354 3.044,355 2.088,356 2.819,358 6.043,359 1.989,360 3.187,361 2.042,362 4.929,363 2.762,364 1.82,365 2.402,367 5.376,368 1.716,369 2.947,370 1.735,371 4.335,372 2.505,373 1.552,374 2.101,376 4.001,377 1.474,378 2.842,379 1.504,380 4.161,381 2.343,382 1.387,383 1.998,385 3.558,386 1.325,387 2.648,388 1.389,389 3.613,390 2.246,391 1.31,392 1.697,394 2.914,395 1.214,396 2.588,397 1.256,398 3.559,399 2.081,400 1.098,401 1.631,403 2.567,404 1.077,405 2.28,406 1.114,407 3.475,408 1.952,409 1,410 1.243,411 2.531,412 0.946,413 2,414 1.083,415 3.267,416 1.91,417 1,418 1,419 2.136,420 0.905,421 1.891,422 0.508,423 3.247,424 1.417,425 0.463,426 0.653,427 1.239,428 0.441,429 1.063,430 -0.057,431 2.736,432 0.606,433 -0.341,434 -0.451,435 -0.846,436 -0.32,437 0.928,438 -0.263,439 2.639,440 0.516,441 -0.41,442 -0.511,443 -1.005,444 -0.375,445 12.1,446 0.465,447 0.551,448 0.021,449 37.5,450 1.442,451 19,452 0.731,453 18.5,454 0.712,455 18.299,456 0.704,457 26.9,458 0.64,459 26.764,460 1.029,461 7.429,462 0.286,463 5.364,464 0.206,465 0.028,467 0.364,471 0.922,472 1.35,473 0.676,474 1.072,475 0.905,476 0.87,477 1.093,478 1.048,479 0.844,480 0.911,481 0.749,482 0.837,483 0.976,484 1.101,485 0.887,486 0.911,487 0.902,488 0.887,489 0.969,490 1.061,491 0.88,492 0.907,493 0.895,494 0.865,495 1.024,496 0.911,497 0.9,498 0.803,499 0.84,500 0.818,501 1.093,502 1.093,503 1.101,504 1.006,505 0.857,506 1.026,507 0.915,508 1.086,509 1.219,510 1.237,511 0.897,512 1.274,513 0.695,514 1.052,515 1.128,516 1.309,517 0.846,518 1.315,519 4,520 0.025,521 2.667,522 1.701,523 1.275,524 1.146,525 0.554,526 0.259,527 0.228,528 0.089,529 7600,530 20994,531 2.241,532 38.1,534 14,536 1,537 1,542 1.7,543 2.167,544 3.032,545 -0.294,546 1,547 1,548 1,550 69.012,551 1.643,552 3.775,553 4.547,554 4.916,555 4.916,556 4.916,557 2.286,558 4.393,559 4.672,560 3.169,561 1029.87,562 8.147,563 12408.6,564 1,565 1,567 1,568 226.477,569 1.142,570 4.66,571 0.133,572 0.006,573 0.062,574 0.039,575 0.031,576 0.027,577 0.013,578 0.007,579 0.008,580 0.006,581 0.333,582 0.5,583 0.88,584 0.362,585 123.326,586 -0.092,587 -0.256,588 0.06,589 -0.095,590 -0.107,591 -0.008,592 -0.074,593 0.035,594 0.009,595 0.029,596 0.006,597 0.033,598 0.036,599 -0.071,600 0.055,601 0.036,602 0.017,603 0.04,604 -0.081,605 -0.012,606 0.072,607 0.029,608 -0.044,609 0.077,610 0.008,611 0.144,612 0.031,613 0.134,614 0.059,615 0.091,616 -0.143,617 -0.013,618 -0.239,619 -0.069,620 -0.128,621 -0.143,622 -0.079,623 -0.052,624 -0.349,625 -0.269,626 -0.127,627 -0.342,628 0.116,629 -0.146,630 -0.138,631 -0.288,632 0.081,633 -0.268,634 1.488,635 3.826,636 0.962,637 19.935,638 1.016,639 1.122,640 2.385,641 5.688,642 0.689,643 3.434,644 3.784,645 4.127,646 4.477,647 4.796,648 4.956,649 5.215,650 5.425,651 5.525,652 5.624,653 5.249,654 0.676,655 348.39,656 3.434,657 4.99,658 5.872,659 6.777,660 7.681,661 8.597,662 9.513,663 10.436,664 11.359,665 12.285,666 9.5,672 1,676 3,680 4,681 7,682 3,684 1,686 4,688 21,701 1,702 1,705 42,706 21,707 1,708 30,710 46,711 19,712 15,713 2,714 4,717 5,718 8,729 15,730 4,743 1,744 1,746 1,747 16,748 7,749 1,750 7,755 4,760 0.6,761 3,773 1,774 1,778 1,779 4,782 2,802 1,803 3,811 26,816 1,817 4,819 1,822 1,833 7.1,835 1,837 1,838 1,841 12,842 7.667,843 5.583,844 2.54,847 4.165,848 1.525,849 1.024,850 3.731,851 12.103,852 3.726,853 4.404,854 5.11,855 5.829,856 6.501,857 6.989,858 7.581,859 8.135,860 8.52,861 8.952,862 0.667,863 44,864 9.597,865 4.213,866 7.705,867 18.329,868 15.436,869 2.205,870 57.333,873 1,874 176.567,875 101.103,876 53.481,878 63.191,881 101.103,882 239.757,883 53.481,885 13.396,886 56.857,887 120.218,888 31.91,889 7.164,890 164.795,892 176.567,893 154.584,894 63.191,897 178.894,898 52.191,899 11,900 28.995,901 72.904,902 50.357,904 176.567,905 116.671,906 101.103,909 176.567,910 35.198,911 69.029,913 113.547,914 176.567,915 116.671,916 101.103,918 0.582,919 0.345,920 0.202,921 0.119,922 24,923 9,924 0.043,925 2,926 2,927 1.16,928 3.774,929 242.994,930 0.16,931 25,932 118.211,936 15.558,937 6.236,938 2.713,939 2.743,940 116.671,941 12.445,942 13.778,944 5.983,946 2.202,948 42.683,949 394.341,950 40.5,960 42.691,961 47.113,962 0.305,963 0.7,964 0.843,965 0.912,966 0.912,967 0.912,968 4.965,969 1.387,970 5.855,971 4.001,972 4.466,973 5.091,974 1.235,975 6.708,976 4.375,977 6.186,978 1.31,979 7.428,980 3.558,981 4.007,982 4.956,983 0.325,984 7.662,985 3.886,986 7.511,987 1.098,988 9.106,989 2.914,990 6.084,991 7.419,992 0.938,993 10.832,994 5.921,995 8.878,996 1,997 10.848,998 2.567,999 6.494,1000 8.187,1001 0.268,1002 12.661,1003 6.309,1004 10.283,1005 1,1006 12.631,1007 2.531,1008 8.017,1009 10.102,1010 0.732,1011 15.339,1012 7.795,1013 11.716,1014 0.463,1015 14.444,1016 2.136,1017 8.838,1018 11.302,1019 0.188,1020 17.525,1021 8.596,1022 13.171,1023 -0.341,1024 16.277,1025 1.239,1026 10.137,1027 12.998,1028 0.57,1029 20.041,1030 9.862,1031 3.319,1032 -0.41,1033 18.127,1034 -0.846,1035 11.151,1036 14.404,1037 0.125,1038 22.378,1039 10.856,1040 2.855,1041 11.762,1042 19.988,1043 -1.005,1044 12.365,1045 16.016,1046 0.438,1047 24.844,1048 12.04,1049 2.742,1050 9.524,1051 21.86,1052 4.866,1053 13.469,1054 17.517,1055 0.082,1056 27.245,1057 13.12,1058 2.274,1059 8.995,1060 23.74,1061 3.917,1062 14.654,1063 19.101,1064 0.334,1065 29.699,1066 14.278,1067 2.088,1068 6.72,1069 25.627,1070 3.615,1071 15.8,1072 20.643,1073 0.054,1074 32.13,1075 15.399,1076 1.82,1077 6.043,1078 27.519,1079 3.018,1080 16.98,1081 22.22,1082 0.252,1083 34.584,1084 16.552,1085 1.552,1086 5.376,1087 29.416,1088 2.819,1089 18.146,1090 23.782,1091 0.035,1092 37.03,1093 17.693,1094 6991,1095 11755,1096 20.978,1097 28.955,1098 45.956,1099 46.037,1100 46.388,1101 45.857,1102 45.817,1103 61.92,1104 3.32,1105 134.731,1106 43.605,1107 5.779,1108 5.38,1109 6.739,1110 5.393,1111 5.319,1112 7.866,1113 1.72,1114 19.31,1115 5.224,1116 6.541,1117 1.532,1118 1.535,1119 1.546,1120 1.529,1121 1.527,1122 2.064,1123 0.111,1124 4.491,1125 1.454,1126 4.183,1127 4.2,1128 4.171,1129 4.047,1130 6.471,1131 4.074,1132 3.894,1133 3.916,1134 3.843,1135 3.821,1136 5.281,1137 3.823,1138 3.768,1139 3.822,1140 3.671,1141 3.567,1142 4.814,1143 3.585,1144 3.535,1145 3.58,1146 3.462,1147 3.369,1148 4.617,1149 3.385,1150 3.114,1151 3.206,1152 3.063,1153 2.946,1154 4.538,1155 2.966,1156 3.111,1157 3.135,1158 2.866,1159 2.941,1160 4.324,1161 2.91,1162 2.94,1163 2.992,1164 2.863,1165 2.746,1166 4.032,1167 2.75,1168 2.922,1169 2.967,1170 2.804,1171 2.714,1172 3.806,1173 2.735,1174 0.159,1175 0.113,1176 0.231,1177 0.143,1178 0.111,1179 4.779,1180 0.162,1181 3.38,1182 0.029,1183 6.937,1184 0.392,1185 4.289,1186 0.107,1187 3.319,1188 4.866,1189 0.86,1190 11.762,1191 3.224,1192 1.956,1193 1.93,1194 2.025,1195 2.081,1196 1.218,1197 2.062,1198 1.848,1199 1.824,1200 1.942,1201 1.975,1202 1.097,1203 1.957,1204 1.749,1205 1.71,1206 1.917,1207 1.942,1208 1.026,1209 1.943,1210 1.545,1211 1.509,1212 1.646,1213 1.771,1214 0.825,1215 1.738,1216 1.153,1217 1.064,1218 1.513,1219 1.376,1220 0.698,1221 1.429,1222 0.998,1223 0.981,1224 1.154,1225 1.235,1226 0.259,1227 1.195,1228 0.942,1229 0.906,1230 1.125,1231 1.14,1232 0.237,1233 1.131,1234 0.883,1235 0.838,1236 1.103,1237 1.114,1238 0.139,1239 1.101,1240 4.111,1242 5.451,1243 2.398,1244 7.002,1245 4.844,1246 8.648,1247 7.066,1248 10.344,1255 9.826,1256 2.753,1258 5.462,1261 2.141,1267 28.391,1268 69.012,1269 158.561,1270 190.968,1271 206.477,1272 206.477,1273 206.477,1274 32.97,1275 7.938,1276 84.51,1277 84.51,1278 29,1279 12.791,1280 4.459,1281 3.524,1282 33.517,1283 83,1284 75,1285 0.205,1286 168.877,1287 278.47,1288 403.821,1289 28842,1291 17.51,1292 0.673,1293 0.535,1294 17.51,1295 13.922,1296 12.793,1297 0.426,1298 0.282,1299 8.311,1300 12.185,1301 8.209,1302 6.7,1303 12.793,1304 8.468,1305 11.597,1306 0.27,1307 0.143,1308 11.597,1309 6.156,1310 10.241,1311 0.168,1312 0.074,1313 10.241,1314 4.488,1315 9.145,1316 0.105,1317 0.037,1318 9.145,1319 3.228,1320 7.995,1321 0.067,1322 0.019,1323 7.995,1324 2.254,1325 0.306,1326 80.996,1327 0.218,1328 24.334,1329 0.613,1330 146,1331 450.201,1332 163.654,1333 427.285,1334 598.74,1335 404,1336 177,1337 455.855,1338 196.404,1339 455.624,1340 681.09,1341 431,1342 5}
{0 CHEMBL574738,1 1.737,2 17.421,3 4.513,4 20.37,5 141.564,6 7.789,7 0.439,8 4.326,9 4.457,10 3.911,11 3.768,12 5.463,13 3.782,14 4.887,15 5.079,16 4.318,17 4.137,18 6.358,19 4.135,20 5.094,21 5.307,22 4.297,23 4.305,24 6.174,25 4.264,26 5.208,27 5.442,28 4.301,29 4.321,30 6.33,31 4.256,32 5.246,33 5.511,34 4.289,35 4.258,36 6.458,37 4.203,38 5.069,39 5.294,40 4.205,41 4.184,42 6.242,43 4.15,44 5.071,45 5.299,46 4.255,47 4.121,48 6.562,49 4.093,50 4.978,51 5.224,52 4.019,53 4.011,54 6.218,55 3.971,56 0.176,57 1.234,58 13.199,59 5.62,60 23.129,61 7.372,62 1.167,63 2.182,64 28.269,65 9.026,66 151.997,67 12.315,68 0.725,69 2.117,70 35.087,71 11.784,72 62.487,73 16.266,74 0.866,75 2.327,76 41.627,77 14.262,78 92.131,79 19.458,80 1.48,81 2.318,82 47.733,83 13.322,84 145.555,85 18.829,86 0.918,87 2.16,88 36.82,89 11.876,90 115.325,91 15.218,92 1.561,93 2.233,94 38.593,95 11.753,96 231.729,97 14.917,98 1.258,99 1.928,100 36.067,101 10.065,102 132.792,103 12.838,104 46,105 57,106 0.274,107 0.592,108 0.742,109 0.819,110 0.848,111 0.853,112 3.667,113 0.895,114 -4.94,115 -4.85,116 -4.54,118 38.2,119 1,123 1,124 6,130 1,138 8,139 2,140 3,143 2,144 1,152 1,163 6,166 2,167 7,170 3,171 1,172 5,173 6,176 1,177 4,182 4,184 4,187 1,188 8,191 2,193 5,195 2,200 8,203 1,205 4,208 2,213 5,216 1,218 3,221 4,224 1,225 4,228 2,230 3,233 9,236 1,240 1,245 8,248 1,249 3,252 3,253 1,254 1,257 4,260 3096,261 25.347,262 25.347,263 25.347,264 25.347,265 25.347,266 23.06,267 41.64,268 14.877,269 26.304,270 20.159,271 20.159,272 20.159,273 20.159,274 20.159,275 16.613,276 62.867,277 7,278 21.699,279 4.35,280 2.334,281 1.386,282 0.897,283 0.71,284 0.68,285 4.36,289 1,290 1412,291 4.416,294 608.584,301 2.729,302 56.162,305 0.75,306 0.67,307 0.83,308 0.9,309 1,310 0.83,311 1,312 0.85,313 86,314 662,315 4.561,316 4.472,317 7.254,318 4.275,319 3.388,320 4.067,321 3.825,322 12.281,323 3.062,324 4.14,325 3.562,326 5.74,327 3.721,328 2.784,329 3.737,330 1.656,331 8.044,332 2.623,333 4.012,334 3.092,335 5.697,336 3.617,337 2.697,338 3.587,339 0.916,340 7.964,341 2.491,342 3.865,343 3.075,344 5.562,345 3.594,346 2.659,347 3.156,348 0.86,349 7.619,350 2.442,351 3.715,352 2.809,353 5.437,354 3.474,355 2.53,356 2.903,357 0.8,358 7.218,359 2.372,360 3.6,361 2.672,362 5.335,363 3.299,364 2.367,365 2.773,366 0.4,367 6.87,368 2.162,369 3.454,370 2.53,371 5.2,372 3.165,373 2.232,374 2.597,375 0.247,376 6.562,377 2.078,378 3.305,379 2.43,380 5.027,381 2.952,382 2.02,383 2.506,384 0.172,385 5.933,386 1.869,387 3.169,388 2.206,389 4.816,390 2.819,391 1.887,392 2.354,394 5.429,395 1.747,396 3.034,397 2.06,398 4.577,399 2.689,400 1.709,401 2.069,403 4.788,404 1.655,405 2.675,406 1.38,407 4.103,408 2.124,409 1.211,410 1.754,411 3.204,412 1.103,413 2.582,414 1.281,415 3.497,416 2.118,417 1.156,418 1.615,419 2.634,420 1.094,421 2.5,422 1.146,423 3.414,424 2,425 1,426 1.5,427 2.275,428 1,429 2,430 1,431 3.414,432 1.967,433 1,434 1,435 2.275,436 0.965,437 1.682,438 0.859,439 3.166,440 1.591,441 0.624,442 0.643,443 1.238,444 0.601,445 17.324,446 0.456,447 1.03,448 0.027,449 47.5,450 1.25,451 21.5,452 0.566,453 26,454 0.684,455 34.09,456 0.897,457 43.276,458 0.636,459 42.485,460 1.118,461 9.766,462 0.257,463 8.462,464 0.223,465 0.126,466 0.029,467 0.277,469 3,471 0.688,472 1.291,473 0.725,474 1.233,475 0.58,476 1.035,477 0.575,478 0.807,479 0.789,480 0.917,481 0.354,482 0.904,483 0.818,484 0.936,485 0.947,486 1.056,487 0.582,488 1.037,489 0.811,490 1.118,491 0.907,492 1.206,493 0.771,494 1.123,495 1.006,496 0.839,497 0.9,498 0.82,499 1.163,500 0.83,501 1.22,502 1.147,503 1.04,504 1.036,505 1.267,506 0.997,507 1.171,508 1.257,509 1.047,510 1.061,511 1.38,512 1.032,513 1.496,514 1.056,515 1.243,516 0.869,517 1.716,518 0.951,519 10,520 0.223,521 3.333,522 2.563,523 2.258,524 1.354,525 1.153,526 0.5,527 0.608,528 0.365,529 25853,530 77109,531 2.031,532 44.1,534 23,536 1,537 3,539 3,542 1.783,543 1.892,544 4.02,545 0.843,550 118.123,551 1.737,552 3.754,553 4.702,554 5.19,555 5.378,556 5.407,557 3.527,558 4.774,559 5.215,560 4.231,561 2974.12,562 9.16,563 53167,568 413.947,569 1.538,570 5.168,571 0.244,572 0.006,573 0.058,574 0.045,575 0.042,576 0.026,577 0.023,578 0.01,579 0.015,580 0.009,581 0.478,582 0.17,583 0.88,584 0.848,585 216.585,586 -0.064,587 -0.229,588 0.039,589 -0.12,590 -0.075,591 -0.03,592 0.32,593 0.252,594 0.111,595 0.081,596 0.427,597 0.047,598 -0.095,599 -0.071,600 -0.059,601 -0.052,602 0.003,603 -0.04,604 0.013,605 -0.206,606 0.036,607 -0.179,608 0.025,609 -0.093,610 0.051,611 0.131,612 0.135,613 0.146,614 -0.023,615 0.16,616 -0.161,617 -0.104,618 -0.058,619 -0.018,620 -0.154,621 -0.007,622 0.178,623 0.014,624 0.006,625 -0.032,626 0.156,627 -0.061,628 -0.161,629 0.177,630 -0.18,631 0.115,632 -0.251,633 -0.002,634 5.789,635 5.842,636 0.632,637 55.679,638 1.02,639 1.152,640 3.712,641 13.776,642 0.642,643 3.738,644 4.06,645 4.248,646 4.477,647 4.7,648 4.71,649 4.844,650 4.883,651 5.017,652 5.063,653 9.769,654 0.626,655 529.63,656 3.738,657 5.283,658 6.107,659 6.978,660 7.818,661 8.69,662 9.538,663 10.41,664 11.263,665 12.135,666 10.3,669 2,671 1,673 2,676 2,681 9,682 2,686 7,688 18,699 1,703 1,705 68,706 19,707 2,708 41,710 71,711 26,712 16,713 5,714 7,717 4,718 4,720 1,721 2,726 1,729 17,730 9,733 1,737 1,740 1,745 3,747 30,748 12,749 3,750 12,755 7,760 1,761 2,774 1,779 4,800 2,803 4,807 2,809 3,811 38,817 6,818 3,819 1,822 2,823 1,832 3,833 2.9,836 1,838 1,841 20.083,842 12.562,843 8.361,844 4.045,847 3.2,848 1.394,849 0.975,850 9.182,851 11.314,852 3.951,853 4.494,854 4.954,855 5.474,856 5.978,857 6.063,858 6.394,859 6.635,860 6.922,861 7.211,862 0.917,863 57,864 14.605,865 6.626,866 8.068,867 26.208,868 20.954,869 2.568,870 97.583,874 317.82,875 150.59,876 93.852,878 36.145,879 44.88,881 150.59,882 353.965,883 138.732,884 17.222,885 48.656,886 75.81,887 88.498,888 87.876,889 11.418,890 306.049,891 7.76,892 317.82,893 244.442,894 81.025,897 282.506,898 116.338,900 80.108,901 112.753,902 51.582,904 362.7,905 129.997,906 150.59,909 325.579,910 41.181,911 107.899,912 54.032,913 114.596,914 317.82,915 174.877,916 150.59,918 0.581,919 0.324,920 0.168,921 0.095,922 25,923 12,924 0.113,925 8,927 1,928 4.884,929 349.587,931 24,932 186.666,936 27.804,937 12.549,938 7.892,940 174.877,941 13.387,942 8.045,946 1.357,948 54.032,949 643.287,950 51,954 12.479,957 -0.662,960 69.392,961 78.324,962 0.285,963 0.617,964 0.772,965 0.853,966 0.883,967 0.888,968 5.201,969 2.02,970 6.111,971 6.562,972 4.745,973 5.182,974 3.398,975 6.905,976 4.606,977 6.395,978 1.887,979 7.664,980 5.933,981 4.443,982 4.966,983 3.963,984 7.934,985 4.147,986 7.694,987 1.709,988 9.321,989 5.429,990 6.368,991 7.272,992 5.475,993 10.925,994 6.074,995 9.023,996 1.211,997 11.042,998 4.788,999 6.836,1000 7.782,1001 6.702,1002 12.807,1003 6.371,1004 10.379,1005 1.156,1006 12.809,1007 3.204,1008 8.278,1009 9.63,1010 8.066,1011 15.421,1012 7.8,1013 11.756,1014 1,1015 14.613,1016 2.634,1017 9.11,1018 10.498,1019 9.391,1020 17.684,1021 8.47,1022 13.149,1023 1,1024 16.447,1025 2.275,1026 10.372,1027 12.138,1028 10.736,1029 20.21,1030 9.69,1031 3.388,1032 0.624,1033 18.306,1034 2.275,1035 11.389,1036 13.21,1037 12.075,1038 22.628,1039 10.559,1040 2.784,1041 12.281,1042 20.189,1043 1.238,1044 12.59,1045 14.737,1046 13.417,1047 25.136,1048 11.691,1049 2.697,1050 8.044,1051 22.09,1052 4.067,1053 13.701,1054 15.931,1055 14.758,1056 27.611,1057 12.669,1058 2.659,1059 7.964,1060 24.007,1061 3.737,1062 14.889,1063 17.394,1064 16.1,1065 30.118,1066 13.77,1067 2.53,1068 7.619,1069 25.938,1070 3.587,1071 16.048,1072 18.663,1073 17.441,1074 32.614,1075 14.807,1076 2.367,1077 7.218,1078 27.88,1079 3.156,1080 17.24,1081 20.09,1082 18.783,1083 35.121,1084 15.901,1085 2.232,1086 6.87,1087 29.831,1088 2.903,1089 18.425,1090 21.404,1091 20.124,1092 37.624,1093 16.97,1094 24738,1095 43069,1096 26.929,1097 43.66,1098 60.919,1099 60.818,1100 61.764,1101 60.732,1102 60.475,1103 74.736,1104 17.755,1105 172.381,1106 56.332,1107 5.561,1108 6.472,1109 6.847,1110 5.363,1111 5.388,1112 7.067,1113 5.335,1114 19.807,1115 5.062,1116 21.185,1117 1.486,1118 1.483,1119 1.506,1120 1.481,1121 1.475,1122 1.823,1123 0.433,1124 4.204,1125 1.374,1126 4.013,1127 4.052,1128 3.967,1129 3.912,1130 8.513,1131 3.918,1132 3.925,1133 3.956,1134 3.881,1135 3.827,1136 7.999,1137 3.832,1138 3.821,1139 3.887,1140 3.758,1141 3.636,1142 7.999,1143 3.661,1144 3.797,1145 3.852,1146 3.701,1147 3.616,1148 7.431,1149 3.628,1150 3.484,1151 3.547,1152 3.448,1153 3.25,1154 5.079,1155 3.265,1156 3.412,1157 3.484,1158 3.304,1159 3.155,1160 4.784,1161 3.182,1162 3.302,1163 3.399,1164 3.213,1165 3.016,1166 4.697,1167 3.043,1168 3.268,1169 3.324,1170 3.114,1171 2.978,1172 4.378,1173 3.009,1174 0.111,1175 0.109,1176 0.177,1177 0.104,1178 0.083,1179 4.561,1180 0.099,1181 4.472,1182 0.093,1183 7.254,1184 0.3,1185 4.275,1186 0.075,1187 3.388,1188 4.067,1189 3.825,1190 12.281,1191 3.062,1192 1.944,1193 1.917,1194 2.053,1195 2.075,1196 1.341,1197 2.07,1198 1.885,1199 1.861,1200 1.989,1201 2.021,1202 1.168,1203 2.008,1204 1.768,1205 1.697,1206 1.959,1207 1.971,1208 1.062,1209 1.967,1210 1.725,1211 1.676,1212 1.833,1213 1.919,1214 0.937,1215 1.903,1216 1.436,1217 1.352,1218 1.75,1219 1.678,1220 0.825,1221 1.702,1222 1.298,1223 1.246,1224 1.582,1225 1.606,1226 0.824,1227 1.582,1228 1.248,1229 1.144,1230 1.513,1231 1.551,1232 0.653,1233 1.541,1234 1.153,1235 1.064,1236 1.464,1237 1.416,1238 0.584,1239 1.429,1240 4.419,1242 5.74,1244 7.242,1246 8.823,1248 10.446,1250 3.801,1252 41.525,1256 4.244,1257 7.99,1258 5.666,1261 4.291,1262 -4.539,1267 42.578,1268 118.123,1269 255.24,1270 319.709,1271 352.928,1272 365.683,1273 367.683,1274 93.97,1275 8.114,1276 94.65,1277 94.65,1278 24,1279 12.681,1280 4.322,1281 3.459,1282 68.063,1283 224,1284 226,1285 0.144,1286 260.471,1287 462.61,1288 627.309,1289 45199,1290 4.4,1291 27.123,1292 0.714,1293 0.557,1294 24.623,1295 21.178,1296 18.228,1297 0.445,1298 0.298,1299 11.966,1300 17.174,1301 11.738,1302 9.711,1303 17.017,1304 12.238,1305 16.948,1306 0.297,1307 0.154,1308 14.953,1309 8.777,1310 12.967,1311 0.188,1312 0.09,1313 12.208,1314 6.212,1315 10.577,1316 0.122,1317 0.047,1318 9.834,1319 4.113,1320 8.658,1321 0.079,1322 0.026,1323 7.955,1324 2.82,1325 0.237,1326 116.519,1327 0.193,1328 35.406,1329 0.369,1330 196,1331 777.383,1332 232.926,1333 664.428,1334 874.93,1335 618,1336 224,1337 620.98,1338 253.502,1339 605.604,1340 899.67,1341 567,1342 6.585}
{0 CHEMBL576982,1 1.664,2 19.05,3 5.719,4 32.712,5 154.689,6 7.788,7 0.556,8 4.397,9 4.508,10 4.039,11 3.919,12 5.471,13 3.899,14 4.952,15 5.118,16 4.449,17 4.327,18 5.997,19 4.293,20 5.17,21 5.359,22 4.416,23 4.461,24 6.168,25 4.373,26 5.269,27 5.512,28 4.326,29 4.417,30 6.213,31 4.304,32 5.153,33 5.405,34 4.221,35 4.254,36 6.148,37 4.156,38 4.877,39 5.083,40 4.138,41 4.153,42 5.874,43 4.067,44 4.826,45 5.007,46 4.166,47 4.191,48 5.877,49 4.113,50 4.957,51 5.158,52 4.128,53 4.199,54 6.038,55 4.11,56 0.11,57 1.104,58 14.964,59 6.645,60 11.579,61 8.276,62 0.499,63 1.806,64 31.117,65 11.057,66 39.025,67 14.213,68 0.656,69 2.107,70 40.132,71 14.426,72 49.537,73 18.301,74 0.67,75 2.156,76 49.446,77 16.656,78 67.629,79 22.163,80 0.825,81 1.921,82 44.02,83 13.339,84 75.5,85 18.092,86 0.662,87 1.571,88 34.515,89 10.925,90 47.153,91 13.458,92 0.249,93 1.576,94 29.949,95 10.999,96 27.839,97 13.99,98 0.594,99 1.672,100 32.686,101 11.102,102 71.058,103 14.352,104 18,105 65,106 0.256,107 0.601,108 0.733,109 0.798,110 0.81,111 0.81,112 3.717,113 0.942,114 -4.43,115 -4.36,116 -4.11,118 40.3,119 3,122 1,124 6,138 8,139 1,140 2,142 1,143 1,147 1,148 3,152 1,155 1,159 1,163 8,166 1,167 9,170 3,171 1,172 3,173 10,176 2,177 10,180 1,182 2,184 7,187 1,188 13,191 1,193 5,195 2,199 2,200 7,203 1,205 5,208 3,212 2,213 5,216 1,218 2,221 8,225 8,228 1,230 3,233 8,236 2,237 6,240 1,242 1,245 7,248 2,249 4,252 1,254 1,257 8,260 3720,261 26.969,262 26.969,263 26.969,264 26.969,265 26.969,266 24.093,267 30.283,268 15.772,269 27.843,270 22.304,271 22.304,272 22.304,273 22.304,274 22.304,275 17.757,276 41.564,277 7.614,278 23.738,279 4.505,280 2.264,281 1.404,282 0.983,283 0.907,284 0.907,285 4.43,289 1,290 1683,291 4.416,293 309.188,294 406.175,296 144.755,297 168.529,300 227.117,301 3.503,302 31.443,305 0.75,306 0.5,307 0.83,308 0.7,309 0.5,310 0.83,311 1,312 0.73,313 87,314 762,315 4.749,316 3.582,317 7.118,318 4.326,319 3.327,320 4.85,321 1.656,322 11.699,323 3.322,324 4.471,325 3.527,326 6.794,327 4.178,328 3.265,329 3.918,330 0.86,331 11.258,332 2.995,333 4.222,334 3.275,335 6.148,336 3.81,337 2.834,338 3.89,339 0.86,340 9.096,341 2.756,342 3.969,343 2.94,344 5.635,345 3.606,346 2.65,347 3.538,348 0.8,349 7.717,350 2.525,351 3.848,352 2.857,353 5.572,354 3.461,355 2.539,356 3.148,357 0.247,358 7.48,359 2.355,360 3.689,361 2.721,362 5.355,363 3.411,364 2.473,365 3.027,367 7.011,368 2.3,369 3.521,370 2.523,371 5.341,372 3.299,373 2.351,374 2.746,376 6.955,377 2.213,378 3.427,379 2.413,380 5.195,381 2.983,382 2.019,383 2.591,385 6.228,386 1.946,387 3.294,388 2.175,389 4.842,390 2.827,391 1.873,392 2.524,394 5.276,395 1.758,396 3.217,397 2.037,398 4.749,399 2.601,400 1.725,401 2.495,403 5.234,404 1.492,405 2.718,406 1.73,407 4.349,408 2.426,409 1.545,410 1.812,411 3.93,412 1.354,413 2.653,414 1.492,415 4.226,416 2.307,417 1.332,418 1.688,419 3.584,420 1.294,421 2.574,422 1.484,423 3.804,424 2.173,425 1.213,426 1.578,427 3.233,428 1.153,429 2.5,430 1.275,431 3.679,432 2.006,433 1.104,434 1.5,435 2.675,436 1,437 2.459,438 1.256,439 3.414,440 2,441 1,442 1.443,443 2.275,444 0.986,445 19.067,446 0.477,447 1.116,448 0.028,449 50.5,450 1.263,451 23,452 0.575,453 27.5,454 0.688,455 38.334,456 0.958,457 43.333,458 0.602,459 39.589,460 0.99,461 9.588,462 0.24,463 9.726,464 0.243,465 0.096,466 0.026,467 0.304,471 0.806,472 1.367,473 0.737,474 1.062,475 0.66,476 0.958,477 1.001,478 1.047,479 0.791,480 0.894,481 0.622,482 0.833,483 1.149,484 1.072,485 1.084,486 1.029,487 1.02,488 1.085,489 0.946,490 1.021,491 0.905,492 0.984,493 0.779,494 0.957,495 1.099,496 0.891,497 0.906,498 0.791,499 1.267,500 0.83,501 1.21,502 0.838,503 1.238,504 0.914,505 1.152,506 0.855,507 0.784,508 1.243,509 1.132,510 1.276,511 0.89,512 1.1,513 1.278,514 0.95,515 1.081,516 0.96,517 2.085,518 1.072,519 9.5,520 0.176,521 4,522 2.736,523 1.772,524 1.424,525 0.749,526 0.483,527 0.428,528 0.45,529 34297,530 86492,531 2.144,532 44.4,533 9,534 20,535 1,537 2,542 1.791,543 2.025,544 4.161,545 0.174,550 119.843,551 1.664,552 3.906,553 4.766,554 5.187,555 5.263,556 5.263,557 3.659,558 5.003,559 5.285,560 4.401,561 3433.1,562 9.282,563 65900.8,568 444.235,569 1.445,570 5.258,571 0.211,572 0.004,573 0.062,574 0.046,575 0.033,576 0.03,577 0.016,578 0.01,579 0.01,580 0.011,581 0.432,582 0.17,583 0.75,584 0.598,585 233.874,586 0.022,587 -0.182,588 0.083,589 -0.046,590 -0.025,591 -0.004,592 0.036,593 0.06,594 0.143,595 0.099,596 0.132,597 0.114,598 -0.105,599 -0.022,600 -0.127,601 -0.035,602 -0.102,603 -0.122,604 0.003,605 -0.087,606 0.089,607 0.004,608 0.11,609 0.051,611 0.073,612 0.1,613 0.142,614 0.015,615 0.134,616 -0.087,617 0.231,618 -0.075,619 0.169,620 -0.087,621 0.114,622 -0.023,623 -0.151,624 -0.085,625 -0.171,626 0.064,627 -0.092,628 -0.169,629 0.083,630 -0.152,631 -0.012,632 -0.265,633 -0.125,634 2.056,635 5.424,636 0.725,637 71.7,638 1.007,639 1.127,640 3.203,641 10.256,642 0.672,643 3.829,644 4.19,645 4.443,646 4.727,647 4.934,648 5.088,649 5.273,650 5.421,651 5.576,652 5.753,653 10.929,654 0.639,655 560.74,656 3.829,657 5.398,658 6.252,659 7.144,660 8.016,661 8.913,662 9.795,663 10.695,664 11.585,665 12.49,666 8.3,669 1,673 2,674 1,676 2,680 3,681 9,682 2,684 1,685 1,686 6,688 25,703 1,705 72,706 26,707 2,708 45,710 77,711 29,712 18,713 5,714 7,717 6,718 9,720 1,721 3,722 1,729 19,730 10,733 1,737 1,740 1,747 32,748 9,749 2,750 11,751 1,753 1,754 1,755 6,760 0.667,761 4,778 3,779 3,781 1,782 1,785 1,800 1,802 1,803 4,805 1,807 3,811 40,817 6,818 2,819 2,822 1,823 1,827 1,833 5.6,836 1,837 1,838 2,841 19.75,842 13.883,843 8.444,844 4.296,847 4.823,848 1.517,849 0.996,850 7.814,851 14.149,852 4.086,853 4.725,854 5.338,855 6.007,856 6.545,857 7.039,858 7.587,859 8.057,860 8.498,861 8.959,862 0.923,863 60,864 14.789,865 6.34,866 7.631,867 28.579,868 23.827,869 2.131,870 85.25,874 353.133,875 191.59,876 76.814,878 56.879,880 31.278,881 160.312,882 410.012,883 76.814,884 26.476,885 56.116,886 84.857,887 72.527,888 39.087,889 26.714,890 372.64,892 353.133,893 237.127,894 56.879,895 31.278,897 353.133,898 45.879,899 11,900 89.759,901 110.986,902 36.382,903 31.278,904 353.133,905 133.693,906 191.59,909 353.133,910 80.257,911 115.744,912 36.022,913 93.261,914 353.133,915 133.693,916 191.59,918 0.592,919 0.331,920 0.175,921 0.093,922 33,923 14,924 0.104,925 8,926 2,927 1.138,928 5.281,929 389.261,930 0.138,931 29,932 197.367,933 1,936 27.208,937 11.488,938 6.358,939 3.14,940 132.407,941 17.548,942 8.767,944 5.32,945 1.634,946 4.435,948 36.022,949 678.416,950 58.5,954 12.424,957 -0.389,960 72.483,961 81.145,962 0.27,963 0.633,964 0.773,965 0.841,966 0.853,967 0.853,968 5.348,969 2.019,970 6.263,971 6.955,972 4.875,973 5.414,974 2.274,975 7.096,976 4.762,977 6.573,978 1.873,979 7.836,980 6.228,981 4.575,982 5.323,983 1.305,984 8.143,985 4.443,986 7.899,987 1.725,988 9.514,989 5.276,990 6.526,991 7.674,992 2.627,993 11.182,994 6.326,995 9.261,996 1.545,997 11.256,998 5.234,999 7.04,1000 8.439,1001 2.354,1002 13.072,1003 6.831,1004 10.658,1005 1.332,1006 13.043,1007 3.93,1008 8.489,1009 10.284,1010 3.315,1011 15.68,1012 8.227,1013 12.078,1014 1.213,1015 14.86,1016 3.584,1017 9.364,1018 11.461,1019 3.414,1020 17.905,1021 9.094,1022 13.518,1023 1.104,1024 16.703,1025 3.233,1026 10.63,1027 13.115,1028 4.177,1029 20.389,1030 10.322,1031 3.327,1032 1,1033 18.564,1034 2.675,1035 11.672,1036 14.495,1037 4.466,1038 22.746,1039 11.353,1040 3.265,1041 11.699,1042 20.44,1043 2.275,1044 12.873,1045 16.08,1046 5.117,1047 25.196,1048 12.528,1049 2.834,1050 11.258,1051 22.33,1052 4.85,1053 13.991,1054 17.56,1055 5.504,1056 27.604,1057 13.635,1058 2.65,1059 9.096,1060 24.229,1061 3.918,1062 15.174,1063 19.125,1064 6.093,1065 30.046,1066 14.799,1067 2.539,1068 7.717,1069 26.138,1070 3.89,1071 16.327,1072 20.652,1073 6.531,1074 32.475,1075 15.941,1076 2.473,1077 7.48,1078 28.053,1079 3.538,1080 17.507,1081 22.215,1082 7.084,1083 34.917,1084 17.108,1085 2.351,1086 7.011,1087 29.974,1088 3.148,1089 18.678,1090 23.766,1091 7.551,1092 37.355,1093 18.27,1094 31501,1095 50293,1096 30.512,1097 48.398,1098 68.998,1099 69.621,1100 68.613,1101 68.062,1102 68.074,1103 88.155,1104 8.846,1105 200.451,1106 64.167,1107 5.749,1108 5.582,1109 6.92,1110 5.494,1111 5.327,1112 7.85,1113 2.912,1114 18.829,1115 5.322,1116 18.507,1117 1.533,1118 1.547,1119 1.525,1120 1.512,1121 1.513,1122 1.959,1123 0.197,1124 4.454,1125 1.426,1126 4.216,1127 4.242,1128 4.429,1129 4.155,1130 7.431,1131 4.129,1132 3.959,1133 3.989,1134 3.921,1135 3.852,1136 5.216,1137 3.849,1138 3.894,1139 3.921,1140 3.852,1141 3.774,1142 5.093,1143 3.79,1144 3.813,1145 3.873,1146 3.703,1147 3.594,1148 4.777,1149 3.609,1150 3.64,1151 3.679,1152 3.586,1153 3.49,1154 4.668,1155 3.503,1156 3.555,1157 3.615,1158 3.462,1159 3.359,1160 4.609,1161 3.372,1162 3.377,1163 3.43,1164 3.337,1165 3.168,1166 4.265,1167 3.17,1168 3.308,1169 3.35,1170 3.213,1171 3.078,1172 4.249,1173 3.085,1174 0.106,1175 0.08,1176 0.158,1177 0.096,1178 0.074,1179 4.749,1180 0.108,1181 3.582,1182 0.037,1183 7.118,1184 0.26,1185 4.326,1186 0.074,1187 3.327,1188 4.85,1189 1.656,1190 11.699,1191 3.322,1192 1.946,1193 1.926,1194 2.022,1195 2.045,1196 1.256,1197 2.04,1198 1.892,1199 1.87,1200 1.991,1201 1.999,1202 1.208,1203 1.997,1204 1.78,1205 1.739,1206 1.982,1207 1.969,1208 1.161,1209 1.964,1210 1.733,1211 1.671,1212 1.943,1213 1.924,1214 1.097,1215 1.947,1216 1.479,1217 1.447,1218 1.655,1219 1.737,1220 0.922,1221 1.69,1222 1.452,1223 1.406,1224 1.574,1225 1.672,1226 0.825,1227 1.658,1228 1.353,1229 1.309,1230 1.513,1231 1.547,1232 0.69,1233 1.569,1234 1.294,1235 1.247,1236 1.483,1237 1.458,1238 0.6,1239 1.444,1240 4.511,1242 5.861,1243 3.434,1244 7.38,1245 5.82,1246 8.976,1247 7.941,1248 10.617,1250 6.058,1256 5.072,1257 5.532,1258 11.425,1261 2.362,1262 -0.187,1267 46.023,1268 119.843,1269 281.202,1270 343.176,1271 373.441,1272 378.95,1273 378.95,1274 62.619,1275 9.326,1276 106.16,1277 134.4,1278 33,1279 13.012,1280 4.755,1281 3.858,1282 57.905,1283 262,1284 262,1285 0.105,1286 280.268,1287 472.23,1288 675.615,1289 197864,1291 27.692,1292 0.692,1293 0.59,1294 28.045,1295 23.585,1296 19.314,1297 0.429,1298 0.314,1299 13.161,1300 17.966,1301 12.717,1302 10.516,1303 19.722,1304 14.136,1305 18.528,1306 0.285,1307 0.182,1308 19.171,1309 11.805,1310 14.836,1311 0.177,1312 0.093,1313 15.608,1314 7.793,1315 12.629,1316 0.113,1317 0.05,1318 13.601,1319 5.554,1320 9.918,1321 0.072,1322 0.027,1323 10.867,1324 3.747,1325 0.175,1326 126.188,1327 0.181,1328 37.309,1329 0.263,1330 220,1331 645.049,1332 271.903,1333 632.891,1334 878.07,1335 596,1336 259,1337 650.803,1338 308.859,1339 666.909,1340 979.48,1341 626,1342 5}
{0 CHEMBL59042,1 1.549,2 10.903,3 4.225,4 17.852,5 126.296,6 7.123,7 0.324,8 4.204,9 4.323,10 3.863,11 3.787,12 5.156,13 3.717,14 4.802,15 4.987,16 4.179,17 4.215,18 5.882,19 4.127,20 5.06,21 5.266,22 4.211,23 4.366,24 6.085,25 4.249,26 5.165,27 5.404,28 4.133,29 4.362,30 6.147,31 4.231,32 5.073,33 5.308,34 4.154,35 4.312,36 6.022,37 4.182,38 5.095,39 5.335,40 4.208,41 4.315,42 6.057,43 4.202,44 5.096,45 5.317,46 4.197,47 4.324,48 6.212,49 4.218,50 5.149,51 5.376,52 4.113,53 4.337,54 6.142,55 4.194,56 0.085,57 0.919,58 16.927,59 6.59,60 14.223,61 8.404,62 0.318,63 1.523,64 29.933,65 11.262,66 50.512,67 14.918,68 0.277,69 1.846,70 40.523,71 14.886,72 54.741,73 19.408,74 0.441,75 1.935,76 42.73,77 15.093,78 74.157,79 20.63,80 0.341,81 1.814,82 38.531,83 14.275,84 48.667,85 19.726,86 0.408,87 1.853,88 40.871,89 14.402,90 52.936,91 19.832,92 0.54,93 1.863,94 38.807,95 13.533,96 103.467,97 19.051,98 0.528,99 1.966,100 42.335,101 14.212,102 69.28,103 19.584,104 47,105 50,106 0.249,107 0.578,108 0.781,109 0.832,110 0.853,111 0.853,112 3.472,113 1.123,114 -3.98,115 -3.94,116 -3.73,118 38.7,119 1,120 6,123 2,124 2,132 1,133 1,138 3,139 3,140 2,148 2,151 1,163 11,166 1,167 2,170 1,172 7,173 12,177 9,182 7,184 13,188 7,193 3,195 14,200 5,203 1,204 1,205 2,208 14,213 6,216 3,218 3,221 10,224 2,225 6,230 5,233 9,237 7,240 2,242 2,245 7,248 1,249 5,252 1,254 1,257 6,260 1621,261 20.549,262 20.549,263 20.549,264 20.549,265 20.549,266 18.703,267 23.968,268 11.767,269 21.173,270 16.692,271 16.692,272 16.692,273 16.692,274 16.692,275 13.47,276 23.765,277 5.498,278 17.508,279 4.405,280 2.361,281 1.097,282 0.778,283 0.649,284 0.649,285 4.163,288 1,289 1,290 719,291 4.301,293 127.186,294 162.059,297 242.572,301 1.525,302 36.672,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 66.5,314 338,315 4.855,316 5.244,317 7.294,318 4.298,319 3.397,320 4.71,321 2.95,322 12.389,323 3.215,324 4.589,325 3.657,326 6.786,327 4.19,328 3.224,329 4.294,330 1.058,331 11.195,332 3.095,333 4.44,334 3.37,335 6.683,336 4.065,337 3.095,338 4.029,339 0.8,340 10.8,341 2.821,342 3.687,343 2.889,344 5.615,345 3.275,346 2.291,347 3.084,349 7.274,350 2.255,351 3.435,352 2.591,353 5.43,354 3.165,355 2.225,356 2.656,358 6.554,359 2.122,360 3.236,361 2.581,362 4.91,363 3.079,364 2.093,365 2.323,367 5.423,368 2.018,369 3.124,370 2.445,371 4.841,372 2.779,373 1.806,374 2.231,376 5.177,377 1.751,378 3.032,379 2.092,380 4.685,381 2.633,382 1.668,383 2.159,385 5.068,386 1.605,387 2.952,388 1.835,389 4.652,390 2.516,391 1.527,392 2.075,394 4.475,395 1.494,396 2.518,397 1.484,398 3.84,399 2.365,400 1.37,401 1.488,403 3.073,404 1.362,405 2.367,406 1.369,407 3.603,408 2.225,409 1.237,410 1.297,411 2.833,412 1.221,413 2.226,414 1.096,415 3.567,416 1.821,417 0.828,418 1.144,419 2.156,420 0.82,421 1.736,422 0.956,423 3.207,424 1.606,425 0.629,426 0.682,427 1.5,428 0.613,429 1.545,430 0.788,431 3.117,432 1.356,433 0.391,434 0.43,435 0.537,436 0.372,437 1.427,438 0.529,439 2.924,440 1.029,441 0.052,442 0.065,443 0.134,444 0.05,445 15.033,446 0.485,447 0.961,448 0.031,449 36,450 1.161,451 16.5,452 0.532,453 19.5,454 0.629,455 32.353,456 1.044,457 34.767,458 0.561,459 28.514,460 0.92,461 6.328,462 0.204,463 8.469,464 0.273,465 0.166,466 0.055,467 0.326,471 0.57,472 1.333,473 0.895,474 1.208,475 0.592,476 1.036,477 0.675,478 1.04,479 0.912,480 0.972,481 0.5,482 0.911,483 0.961,484 1.129,485 1.106,486 1.148,487 0.883,488 1.05,489 1.149,490 0.952,491 0.923,492 0.894,493 1.106,494 0.976,495 0.736,496 1.039,497 0.784,498 0.961,499 0.772,500 0.994,501 0.691,502 1.027,503 0.786,504 0.961,505 0.716,506 0.913,507 0.913,508 1.092,509 0.824,510 0.936,511 0.828,512 1.004,513 1.174,514 1.106,515 1.119,516 1.061,517 1.051,518 1.178,519 7.5,520 0.231,521 4.444,522 2.965,523 1.396,524 1.351,525 1.114,526 0.71,527 0.411,528 0.422,529 11742,530 27895,531 2.038,532 50,533 8,534 14,537 2,538 2,539 5,542 1.743,543 1.869,544 3.403,545 0.193,547 1,550 96.031,551 1.549,552 3.594,553 4.857,554 5.176,555 5.305,556 5.305,557 2.837,558 4.567,559 4.924,560 3.569,561 1659.8,562 8.637,563 23199.8,565 1,568 369.16,569 1.663,570 4.859,571 0.221,572 0.008,573 0.089,574 0.058,575 0.03,576 0.029,577 0.022,578 0.014,579 0.01,580 0.013,581 0.495,582 0.33,583 1,584 1.448,585 159.152,586 0.069,587 -0.072,588 0.189,589 0.001,590 -0.09,591 0.044,592 0.141,593 0.097,594 0.088,595 0.095,596 0.198,597 0.111,598 -0.063,599 -0.072,600 -0.071,601 -0.075,602 0.022,603 -0.03,604 -0.131,605 0.034,606 -0.042,607 0.031,608 -0.075,609 -0.004,610 0.072,611 -0.045,612 0.085,613 -0.009,614 0.013,615 0.005,616 0.15,617 -0.02,618 0.13,620 0.061,621 0.078,622 0.101,623 -0.073,624 0.018,625 -0.028,626 0.16,627 -0.034,628 -0.113,629 -0.052,630 -0.196,631 -0.132,632 -0.09,633 -0.225,634 4.26,635 5.775,636 0.581,637 29.692,638 0.996,639 1.127,640 2.753,641 7.581,642 0.656,643 3.555,644 3.932,645 4.22,646 4.5,647 4.745,648 4.92,649 5.142,650 5.298,651 5.323,652 5.421,653 6.57,654 0.609,655 441.65,656 3.555,657 5.13,658 5.999,659 6.907,660 7.802,661 8.717,662 9.623,663 10.542,664 11.455,665 12.376,666 4.8,669 1,673 1,674 1,681 3,683 1,686 7,688 11,705 62,706 15,707 1,708 34,710 65,711 24,712 10,713 3,714 3,715 3,717 4,718 6,721 1,724 4,727 6,729 13,730 11,733 4,736 1,737 3,738 1,740 2,744 1,747 31,748 5,749 2,750 7,751 1,755 3,760 0.5,761 3,775 1,778 2,779 2,782 2,790 1,795 1,796 1,800 1,803 2,805 1,807 3,811 31,814 1,817 8,818 1,822 1,833 4.8,836 3,841 16.583,842 11.95,843 6.708,844 4.083,847 3.017,848 1.374,849 1,850 6.318,851 11.089,852 3.795,853 4.428,854 4.981,855 5.539,856 6.058,857 6.482,858 6.932,859 7.327,860 7.603,861 7.968,862 1,863 51,864 11.776,865 5.306,866 7.755,867 22.603,868 19.475,869 2.255,870 69.917,873 1,874 341.362,875 115.049,876 37.921,878 69.458,880 6.046,881 109.003,882 410.82,883 37.921,884 25.618,885 36.223,886 43.951,887 74.163,888 36.96,889 5.513,890 341.362,892 341.362,893 146.924,894 69.458,895 6.046,897 282.506,898 128.313,900 64.958,901 72.489,902 15.522,904 341.362,905 107.378,906 115.049,908 6.046,909 341.362,910 45.481,911 66.647,912 34.796,913 69.458,914 341.362,915 107.378,916 115.049,918 0.593,919 0.343,920 0.176,921 0.097,922 25,923 12,924 0.108,925 7,926 2,927 1.222,928 4.051,929 290.923,930 0.222,931 18,932 147.58,935 1,936 22.166,937 8.836,938 4.466,940 90.593,941 4.891,943 3.586,946 6.586,948 34.796,949 563.79,950 43.5,953 -3.343,954 37.519,955 1.923,957 0.337,960 61.734,961 69.856,962 0.26,963 0.604,964 0.816,965 0.869,966 0.891,967 0.891,968 5.08,969 1.668,970 6.038,971 5.177,972 4.615,973 5.115,974 3.073,975 6.93,976 4.531,977 6.328,978 1.527,979 7.658,980 5.068,981 4.443,982 5.286,983 0.325,984 8.159,985 4.256,986 7.696,987 1.37,988 9.388,989 4.475,990 6.33,991 7.439,992 5.046,993 11.219,994 6.139,995 9.107,996 1.237,997 11.184,998 3.073,999 6.967,1000 8.428,1001 0.268,1002 13.255,1003 6.664,1004 10.556,1005 0.828,1006 13.024,1007 2.833,1008 8.39,1009 10.145,1010 7.187,1011 15.902,1012 8.076,1013 12.03,1014 0.629,1015 14.893,1016 2.156,1017 9.363,1018 11.452,1019 0.188,1020 18.223,1021 8.953,1022 13.525,1023 0.391,1024 16.784,1025 1.5,1026 10.63,1027 13.032,1028 9.348,1029 20.749,1030 10.192,1031 3.397,1032 0.052,1033 18.69,1034 0.537,1035 11.737,1036 14.462,1037 0.125,1038 23.17,1039 11.222,1040 3.224,1041 12.389,1042 20.608,1043 0.134,1044 12.952,1045 15.997,1046 11.511,1047 25.661,1048 12.398,1049 3.095,1050 11.195,1051 22.536,1052 4.71,1053 14.112,1054 17.478,1055 0.082,1056 28.12,1057 13.493,1058 2.291,1059 10.8,1060 24.47,1061 4.294,1062 15.311,1063 19.001,1064 13.675,1065 30.604,1066 14.647,1067 2.225,1068 7.274,1069 26.411,1070 4.029,1071 16.492,1072 20.505,1073 0.054,1074 33.079,1075 15.77,1076 2.093,1077 6.554,1078 28.356,1079 3.084,1080 17.688,1081 22.027,1082 15.838,1083 35.565,1084 16.918,1085 1.806,1086 5.423,1087 30.305,1088 2.656,1089 18.878,1090 23.543,1091 0.035,1092 38.049,1093 18.054,1094 11462,1095 17939,1096 22.076,1097 40.688,1098 51.957,1099 54.966,1100 54.106,1101 51.774,1102 51.665,1103 65.332,1104 9.617,1105 157.18,1106 49.628,1107 5.802,1108 7.244,1109 6.975,1110 5.364,1111 5.397,1112 7.71,1113 5.9,1114 19.645,1115 5.215,1116 18.187,1117 1.528,1118 1.617,1119 1.591,1120 1.523,1121 1.52,1122 1.922,1123 0.283,1124 4.623,1125 1.46,1126 4.148,1127 4.161,1128 4.741,1129 4.131,1130 7.714,1131 4.069,1132 4.043,1133 4.05,1134 4.047,1135 3.976,1136 7.429,1137 3.952,1138 3.818,1139 3.811,1140 3.864,1141 3.745,1142 6.999,1143 3.697,1144 3.692,1145 3.775,1146 3.538,1147 3.516,1148 4.83,1149 3.507,1150 3.523,1151 3.589,1152 3.398,1153 3.384,1154 4.682,1155 3.374,1156 3.361,1157 3.42,1158 3.259,1159 3.208,1160 4.326,1161 3.207,1162 3.266,1163 3.349,1164 3.078,1165 3.053,1166 4.106,1167 3.046,1168 3.109,1169 3.158,1170 2.955,1171 2.936,1172 3.963,1173 2.897,1174 0.143,1175 0.154,1176 0.215,1177 0.126,1178 0.1,1179 4.855,1180 0.139,1181 5.244,1182 0.087,1183 7.294,1184 0.364,1185 4.298,1186 0.095,1187 3.397,1188 4.71,1189 2.95,1190 12.389,1191 3.215,1192 1.985,1193 2.002,1194 2.055,1195 2.029,1196 1.409,1197 2.077,1198 1.872,1199 1.833,1200 1.983,1201 1.993,1202 1.297,1203 2.016,1204 1.752,1205 1.717,1206 1.945,1207 1.927,1208 1.258,1209 1.94,1210 1.643,1211 1.61,1212 1.794,1213 1.81,1214 1.024,1215 1.824,1216 1.569,1217 1.52,1218 1.763,1219 1.744,1220 0.919,1221 1.765,1222 1.388,1223 1.326,1224 1.637,1225 1.612,1226 0.776,1227 1.622,1228 1.221,1229 1.149,1230 1.463,1231 1.492,1232 0.702,1233 1.48,1234 1.11,1235 1.06,1236 1.417,1237 1.323,1238 0.602,1239 1.369,1240 4.234,1242 5.595,1243 3.045,1244 7.141,1245 5.533,1246 8.772,1247 7.719,1248 10.451,1250 5.792,1256 7.556,1257 2.881,1261 2.188,1267 37.771,1268 96.031,1269 222.799,1270 301.121,1271 320.896,1272 328.896,1273 328.896,1274 70.127,1275 8.072,1276 86.03,1277 94.41,1278 22,1279 12.885,1280 4,1281 3.392,1282 49.122,1283 121,1284 126,1285 0.199,1286 234.424,1287 411.92,1288 563.754,1289 36584,1291 22.173,1292 0.715,1293 0.625,1294 22.423,1295 19.363,1296 14.797,1297 0.435,1298 0.374,1299 11.104,1300 13.519,1301 10.597,1302 8.807,1303 15.618,1304 12.726,1305 14.081,1306 0.282,1307 0.22,1308 15.457,1309 10.989,1310 11.643,1311 0.174,1312 0.12,1313 12.782,1314 8.009,1315 9.403,1316 0.106,1317 0.062,1318 10.012,1319 5.479,1320 7.692,1321 0.067,1322 0.034,1323 8.227,1324 3.911,1325 0.307,1326 100.168,1327 0.213,1328 28.659,1329 0.564,1330 168,1331 442.378,1332 216.038,1333 451.084,1334 613.74,1335 416,1336 201,1337 426.619,1338 253.488,1339 468.851,1340 686.76,1341 439,1342 7.699}
{0 CHEMBL600795,1 1.72,2 8.818,3 5.495,4 30.197,5 85.299,6 9.888,7 0.708,8 3.644,9 3.722,10 3.45,11 3.315,12 4.854,13 3.293,14 4.137,15 4.248,16 3.865,17 3.682,18 5.37,19 3.655,20 4.394,21 4.534,22 4.069,23 3.804,24 5.685,25 3.762,26 4.356,27 4.49,28 4.08,29 3.748,30 5.635,31 3.67,32 4.325,33 4.496,34 3.67,35 3.614,36 5.614,37 3.502,38 4.183,39 4.405,40 3.513,41 3.496,42 5.259,43 3.383,44 4.032,45 4.212,46 3.531,47 3.451,48 5.21,49 3.342,50 3.932,51 4.123,52 3.429,53 3.299,54 5.171,55 3.202,56 0.072,57 0.465,58 3.285,59 2.752,60 6.362,61 3.126,62 0.182,63 0.754,64 7.85,65 4.838,66 15.285,67 5.35,68 0.494,69 0.933,70 16.656,71 6.867,72 49.23,73 6.952,74 0.534,75 0.855,76 22.937,77 6.883,78 46.847,79 7.102,80 0.646,81 0.826,82 23.91,83 7.277,84 59.805,85 8.085,86 0.344,87 0.798,88 15.861,89 6.439,90 40.279,91 7.718,92 0.257,93 0.637,94 16.075,95 5.309,96 23.889,97 6.294,98 0.266,99 0.659,100 12.734,101 4.602,102 30.318,103 5.147,104 17,105 34,106 0.314,107 0.63,108 0.787,109 0.904,110 0.904,111 0.904,112 3.147,113 0.933,114 -5.99,115 -5.84,116 -5.44,118 50,119 1,126 1,138 7,139 2,140 4,141 1,142 1,163 5,167 7,173 9,177 5,184 7,188 4,195 11,199 1,200 2,208 6,221 8,225 2,233 10,245 5,249 3,257 4,260 576,261 14.637,262 14.637,263 14.637,264 14.637,265 14.637,266 12.486,267 9.446,268 8.487,269 15.085,270 11.796,271 11.796,272 11.796,273 11.796,274 11.796,275 8.678,276 10.013,277 3.995,278 12.675,279 3.368,280 1.637,281 0.777,282 0.14,283 0.14,284 0.14,285 3.824,286 2,288 1,289 1,290 415,291 2.739,294 182.458,298 94.649,301 1.306,302 26.251,305 0.75,306 0.83,307 1,308 0.6,309 0.5,310 1,311 1,312 0.81,313 47.667,314 194,315 4.49,316 3.62,317 6.779,318 4.088,319 3.161,320 4.337,321 1.151,322 10.932,323 2.901,324 4.402,325 3.093,326 6.184,327 3.897,328 2.92,329 4.16,331 9.231,332 2.842,333 3.71,334 2.903,335 5.615,336 3.334,337 2.423,338 3.087,340 7.225,341 2.188,342 3.535,343 2.697,344 5.301,345 3.088,346 2.179,347 2.876,349 6.537,350 1.973,351 3.176,352 2.31,353 4.792,354 2.755,355 1.859,356 2.427,358 5.035,359 1.594,360 3.118,361 2.001,362 4.416,363 2.604,364 1.618,365 2.382,367 4.362,368 1.56,369 2.899,370 1.618,371 4.209,372 2.384,373 1.427,374 2.09,376 3.506,377 1.362,378 2.585,379 1.422,380 3.614,381 2.217,382 1.305,383 1.602,385 2.979,386 1.14,387 2.176,388 0.896,389 3.187,390 1.664,391 0.696,392 1.023,394 1.609,395 0.67,396 1.459,397 0.839,398 3,399 0.986,400 0.213,401 0.253,403 0.453,404 0.143,405 1.283,406 0.65,407 2.717,408 0.892,409 0.033,410 0.039,411 0.089,412 0.025,413 1.012,414 0.067,415 2.517,416 0.597,417 -0.268,418 -0.316,419 -0.643,420 -0.208,421 0.882,422 -0.3,423 2.229,424 0.367,425 -0.618,426 -0.927,427 -1.589,428 -0.608,429 0.537,430 -0.598,431 2,432 0.19,433 -0.756,434 -0.96,435 -1.843,436 -0.696,437 0.348,438 -0.618,439 1.891,440 -0.122,441 -1,442 -1.204,443 -2.417,444 -0.714,445 10.948,446 0.498,447 0.613,448 0.028,449 30.25,450 1.375,451 16.5,452 0.75,453 13.75,454 0.625,455 16.856,456 0.766,457 22.652,458 0.666,459 20.087,460 0.913,461 5.999,462 0.273,463 4.559,464 0.207,465 0.202,467 0.365,470 1,471 0.595,472 0.921,473 0.49,474 0.801,475 0.564,476 0.772,477 0.814,478 0.999,479 0.588,480 0.848,481 0.627,482 0.821,483 1.163,484 0.966,485 0.847,486 0.853,487 0.923,488 0.845,489 1.016,490 0.987,491 1.166,492 1.214,493 0.911,494 1.172,495 0.942,496 0.911,497 1.346,498 1.282,499 0.926,500 1.28,501 0.914,502 0.86,503 0.676,504 0.742,505 1.009,506 0.853,507 0.866,508 0.932,509 1.207,510 1.035,511 0.792,512 1.031,513 1.149,514 1.142,515 1.099,516 0.954,517 1.369,518 1.004,519 4.5,520 0.058,521 2.889,522 1.938,523 1.44,524 0.576,525 0.386,526 0.302,527 0.254,528 0.12,529 4844,530 17462,531 2.043,532 35.3,534 8,536 1,539 3,542 1.645,543 1.886,544 3.132,545 -0.762,550 58.467,551 1.72,552 3.451,553 4.311,554 4.948,555 4.948,556 4.948,557 2.504,558 4.096,559 4.437,560 3.266,561 754.536,562 7.616,563 8225.1,568 172.974,569 1.495,570 4.376,571 0.188,572 0.007,573 0.085,574 0.054,575 0.048,576 0.025,577 0.018,578 0.014,579 0.014,580 0.009,581 0.462,582 0.67,583 0.88,584 0.65,585 100.562,586 -0.019,587 -0.053,588 0.008,589 -0.029,590 -0.064,591 0.002,592 -0.054,593 -0.116,594 0.046,595 -0.012,596 0.007,597 0.015,598 -0.078,599 -0.012,600 0.043,601 0.081,602 0.005,603 0.056,604 0.043,605 -0.123,606 -0.024,607 -0.242,608 -0.04,609 -0.245,610 0.126,611 0.003,612 -0.248,613 -0.265,614 0.068,615 -0.27,616 -0.051,617 0.106,618 0.155,619 0.269,620 -0.05,621 0.231,622 -0.085,623 -0.091,624 -0.101,625 -0.037,626 -0.016,627 -0.006,628 -0.161,629 -0.021,630 -0.073,631 0.036,632 -0.17,633 -0.012,634 2.181,635 5.612,636 0.727,637 14.909,638 1.023,639 1.113,640 4.761,641 22.669,642 0.748,643 3.219,644 3.555,645 3.829,646 4.06,647 4.234,648 4.174,649 4.22,650 4.304,651 4.394,652 4.344,653 5.366,654 0.719,655 336.2,656 3.219,657 4.762,658 5.617,659 6.497,660 7.363,661 8.245,662 9.115,663 9.996,664 10.868,665 11.749,666 2.9,676 1,680 2,681 8,682 1,686 5,688 17,703 1,704 3,705 34,706 17,707 2,708 24,710 36,711 17,712 15,713 7,714 5,717 3,718 4,719 2,721 1,727 1,729 15,730 2,745 1,747 12,748 3,750 5,751 2,755 1,760 0.667,761 1,773 1,779 3,783 1,803 2,807 1,808 2,809 1,811 22,819 1,821 1,832 3,833 2.9,838 1,841 11.667,842 6.545,843 4.806,844 2.015,847 3.356,848 1.49,849 0.997,850 4.299,851 10.199,852 3.512,853 4.174,854 4.787,855 5.361,856 5.914,857 6.071,858 6.364,859 6.731,860 7.121,861 7.12,862 0.833,863 36,864 8.119,865 3.503,866 7.942,867 15.104,868 12.288,869 2.442,870 53.722,874 141.253,875 113.475,876 16.786,877 78.297,878 11,879 14.96,881 113.475,882 230.55,883 31.746,884 8.825,886 66.334,887 28.557,888 49.316,889 14.96,890 129.482,891 78.297,892 141.253,893 130.26,894 25.96,895 78.297,897 120.9,898 46.313,900 20.017,901 93.458,902 95.083,904 156.213,905 27.785,906 191.772,909 141.253,910 29.268,911 84.206,913 121.043,914 141.253,915 42.746,916 191.772,918 0.59,919 0.355,920 0.189,921 0.097,922 17,923 8,924 0.083,925 3,926 1,927 1.125,928 3.372,929 172.623,930 0.125,931 16,932 98.107,936 15.229,937 6.21,938 3.099,939 1.841,940 42.746,941 13.805,942 4.252,946 0.932,949 375.771,950 32.5,960 34.774,961 37.842,962 0.338,963 0.678,964 0.847,965 0.973,966 0.973,967 0.973,968 4.738,969 1.305,970 5.617,971 3.506,972 4.234,973 4.86,974 1.294,975 6.441,976 4.089,977 5.972,978 0.696,979 7.192,980 2.979,981 3.892,982 4.745,984 7.38,985 3.611,986 7.294,987 0.213,988 8.868,989 1.609,990 5.844,991 7.14,992 1.506,993 10.486,994 5.585,995 8.654,996 0.033,997 10.602,998 0.453,999 6.293,1000 7.824,1002 12.245,1003 5.898,1004 10.043,1005 -0.268,1006 12.374,1007 0.089,1008 7.744,1009 9.71,1010 1.731,1011 14.882,1012 7.367,1013 11.454,1014 -0.618,1015 14.171,1016 -0.643,1017 8.561,1018 10.781,1020 16.988,1021 8.063,1022 12.882,1023 -0.756,1024 15.988,1025 -1.589,1026 9.814,1027 12.441,1028 1.968,1029 19.458,1030 9.308,1031 3.161,1032 -1,1033 17.82,1034 -1.843,1035 10.801,1036 13.705,1038 21.716,1039 10.191,1040 2.92,1041 10.932,1042 19.664,1043 -2.417,1044 11.976,1045 15.258,1046 2.214,1047 24.126,1048 11.334,1049 2.423,1050 9.231,1051 21.518,1052 4.337,1053 13.041,1054 16.618,1056 26.451,1057 12.308,1058 2.179,1059 7.225,1060 23.38,1061 4.16,1062 14.186,1063 18.119,1064 2.468,1065 28.84,1066 13.403,1067 1.859,1068 6.537,1069 25.249,1070 3.087,1071 15.288,1072 19.527,1074 31.196,1075 14.42,1076 1.618,1077 5.035,1078 27.124,1079 2.876,1080 16.423,1081 21.003,1082 2.727,1083 33.58,1084 15.494,1085 1.427,1086 4.362,1087 29.003,1088 2.427,1089 17.542,1090 22.434,1092 35.951,1093 16.532,1094 4719,1095 9090,1096 15.72,1097 25.443,1098 36.015,1099 37.655,1100 37.527,1101 35.78,1102 35.668,1103 48.55,1104 2.302,1105 103.914,1106 32.794,1107 5.325,1108 5.62,1109 6.466,1110 5.151,1111 5.161,1112 7.337,1113 2.302,1114 18.068,1115 4.901,1116 11.205,1117 1.501,1118 1.569,1119 1.564,1120 1.491,1121 1.486,1122 2.023,1123 0.096,1124 4.33,1125 1.366,1126 4.068,1127 4.091,1128 4.127,1129 3.994,1130 8.201,1131 3.998,1132 3.931,1133 3.944,1134 4.008,1135 3.88,1136 5.036,1137 3.875,1138 3.509,1139 3.545,1140 3.592,1141 3.371,1142 4.947,1143 3.375,1144 3.34,1145 3.403,1146 3.432,1147 3.208,1148 4.618,1149 3.196,1150 2.989,1151 3.049,1152 3.196,1153 2.852,1154 4.599,1155 2.854,1156 2.939,1157 2.949,1158 3.105,1159 2.847,1160 4.127,1161 2.829,1162 2.779,1163 2.84,1164 2.885,1165 2.65,1166 4.004,1167 2.623,1168 2.681,1169 2.713,1170 2.572,1171 2.562,1172 3.945,1173 2.56,1174 0.187,1175 0.151,1176 0.282,1177 0.17,1178 0.132,1179 4.49,1180 0.181,1181 3.62,1182 0.048,1183 6.779,1184 0.455,1185 4.088,1186 0.121,1187 3.161,1188 4.337,1189 1.151,1190 10.932,1191 2.901,1192 2.027,1193 2.005,1194 2.103,1195 2.117,1196 1.212,1197 2.115,1198 1.891,1199 1.88,1200 1.944,1201 1.966,1202 1.153,1203 1.971,1204 1.474,1205 1.437,1206 1.686,1207 1.655,1208 0.789,1209 1.663,1210 1.356,1211 1.295,1212 1.594,1213 1.518,1214 0.635,1215 1.549,1216 0.973,1217 0.919,1218 1.193,1219 1.154,1220 0.232,1221 1.17,1222 0.821,1223 0.811,1224 1.033,1225 0.974,1226 0.182,1227 1.005,1228 0.765,1229 0.708,1230 0.861,1231 0.968,1233 0.957,1234 0.657,1235 0.625,1236 0.839,1237 0.808,1239 0.826,1240 3.892,1242 5.22,1244 6.756,1246 8.386,1248 10.062,1250 1.778,1251 12.122,1252 13.612,1258 5.862,1260 -0.482,1267 24.462,1268 58.467,1269 117.322,1270 146.567,1271 168.219,1272 168.219,1273 168.219,1274 40.604,1275 6.843,1276 22.12,1277 22.12,1278 18,1279 12.286,1280 4.17,1281 3.248,1282 34.497,1283 72,1284 62,1285 0.24,1286 156.895,1287 268.04,1288 374.585,1289 7977,1290 8.8,1291 15.69,1292 0.713,1293 0.6,1294 15.82,1295 13.197,1296 10.559,1297 0.44,1298 0.311,1299 6.697,1300 9.685,1301 6.466,1302 5.318,1303 10.725,1304 7.465,1305 9.665,1306 0.284,1307 0.166,1308 9.901,1309 5.66,1310 8.25,1311 0.183,1312 0.091,1313 8.317,1314 4.087,1315 6.825,1316 0.12,1317 0.052,1318 7.606,1319 2.983,1320 5.218,1321 0.077,1322 0.024,1323 5.069,1324 1.64,1325 0.372,1326 71.839,1327 0.252,1328 21.531,1329 0.674,1330 116,1331 411.899,1332 156.798,1333 432.772,1334 564.11,1335 402,1336 137,1337 363.887,1338 172.819,1339 381.434,1340 561.84,1341 360,1342 4.301}
{0 CHEMBL601719,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,118 40.4,119 1,120 2,124 2,126 2,138 3,139 3,140 4,141 2,143 1,147 1,156 1,157 1,158 1,159 1,163 3,167 8,169 1,170 1,172 2,173 7,176 1,177 7,179 1,180 1,182 1,184 3,186 1,188 6,191 1,193 1,195 9,197 1,199 2,200 3,203 1,205 3,208 5,211 3,212 2,218 1,221 7,225 5,227 2,228 2,230 4,233 4,235 3,237 7,242 2,245 4,247 1,252 1,254 2,257 1,259 2,260 1486,261 20.068,262 20.068,263 20.068,264 20.068,265 20.068,266 17.901,267 23.489,268 11.629,269 20.687,270 16.228,271 16.228,272 16.228,273 16.228,274 16.228,275 13.008,276 28.517,277 5.49,278 17.389,279 3.922,280 1.637,281 0.683,282 0.515,283 0.515,284 0.515,285 4.132,286 2,288 1,289 1,290 762,291 3,293 82.892,294 310.356,301 1.916,302 36.219,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 65.667,314 353,315 4.492,316 3.623,317 6.78,318 4.095,319 3.167,320 4.165,321 1.151,322 10.939,323 2.952,324 4.382,325 3.179,326 6.323,327 3.994,328 3.027,329 4.065,330 0.4,331 9.687,332 2.88,333 4.13,334 3.043,335 6.112,336 3.767,337 2.822,338 3.69,340 8.943,341 2.668,342 3.736,343 2.892,344 5.875,345 3.479,346 2.518,347 3.005,349 8.103,350 2.407,351 3.581,352 2.654,353 5.572,354 3.2,355 2.29,356 2.894,358 6.876,359 2.059,360 3.222,361 2.472,362 4.891,363 2.845,364 1.948,365 2.416,367 5.281,368 1.798,369 3.117,370 2.103,371 4.634,372 2.796,373 1.869,374 2.251,376 4.921,377 1.589,378 2.889,379 2.021,380 4.349,381 2.425,382 1.518,383 2.029,385 4.026,386 1.354,387 2.657,388 1.627,389 4.116,390 2.364,391 1.414,392 1.69,394 3.494,395 1.34,396 2.538,397 1.564,398 4.032,399 2.151,400 1.24,401 1.546,403 3.212,404 1.09,405 2.225,406 1.077,407 3.466,408 1.984,409 1,410 1.145,411 2.429,412 0.983,413 2.076,414 1,415 3.263,416 1.902,417 0.934,418 1,419 2.136,420 0.902,421 2,422 0.881,423 3.247,424 1.598,425 0.666,426 0.949,427 1.634,428 0.619,429 1.459,430 0.775,431 3.046,432 1.08,433 0.219,434 0.257,435 0.504,436 0.165,437 1.427,438 0.676,439 2.718,440 0.986,441 0.188,442 0.224,443 0.427,444 0.141,445 14.548,446 0.485,447 0.822,448 0.027,449 36.75,450 1.225,451 17,452 0.567,453 19.75,454 0.658,455 28.716,456 0.957,457 32.852,458 0.632,459 28.006,460 0.934,461 7.035,462 0.234,463 7.401,464 0.247,465 0.18,467 0.371,470 1,471 0.701,472 1.135,473 0.571,474 0.917,475 0.649,476 0.868,477 0.853,478 1.106,479 0.64,480 0.903,481 0.585,482 0.877,483 1.005,484 0.976,485 0.807,486 0.867,487 0.766,488 0.881,489 0.945,490 0.998,491 0.985,492 1.072,493 0.813,494 1.043,495 0.921,496 0.856,497 1.083,498 1.014,499 0.836,500 1.005,501 0.936,502 1.017,503 0.727,504 0.859,505 1.02,506 0.946,507 0.555,508 1.045,509 0.845,510 1.106,511 0.625,512 1.05,513 0.977,514 0.996,515 1.025,516 1.007,517 0.917,518 1.025,519 6,520 0.18,521 4.222,522 2.25,523 1.829,524 1.039,525 0.652,526 0.438,527 0.396,528 0.221,529 12062,530 37175,531 2.067,532 42.3,534 9,535 1,536 2,537 3,539 3,540 4,542 1.728,543 1.915,544 3.52,545 0.933,547 1,550 92.467,551 1.778,552 4.063,553 5.018,554 5.186,555 5.186,556 5.186,557 2.94,558 4.707,559 4.88,560 3.698,561 1608.53,562 8.51,563 22407.8,565 1,568 296.423,569 1.475,570 4.828,571 0.182,572 0.007,573 0.09,574 0.046,575 0.041,576 0.026,577 0.017,578 0.011,579 0.012,580 0.008,581 0.44,582 0.17,583 1,584 0.594,585 154.477,586 -0.04,587 -0.029,588 0.011,589 0.004,590 -0.063,591 0.028,592 -0.065,593 -0.082,594 0.05,595 0.021,596 0.049,597 0.044,598 0.001,599 -0.002,600 0.076,601 0.088,602 0.091,603 0.07,604 0.03,605 -0.094,606 0.057,607 -0.084,608 -0.004,609 -0.068,610 0.062,611 0.078,612 -0.087,613 -0.045,614 0.073,615 -0.029,616 -0.048,617 -0.008,618 0.019,619 0.079,620 -0.097,621 0.015,622 0.159,623 -0.124,624 0.086,625 -0.128,626 0.121,627 -0.058,628 -0.027,629 -0.018,630 -0.059,631 -0.047,632 0.044,633 -0.054,634 2.225,635 5.882,636 0.767,637 28.804,638 1.016,639 1.136,640 3.666,641 13.438,642 0.688,643 3.526,644 3.871,645 4.159,646 4.394,647 4.575,648 4.615,649 4.71,650 4.804,651 4.927,652 5.011,653 7.009,654 0.656,655 450.38,656 3.526,657 5.081,658 5.943,659 6.825,660 7.7,661 8.585,662 9.465,663 10.35,664 11.232,665 12.119,666 9.6,668 1,670 1,674 1,676 2,681 6,682 2,686 8,687 1,688 17,698 1,703 1,704 3,705 52,706 17,707 1,708 33,710 55,711 21,712 14,713 4,714 2,717 4,718 4,719 2,721 1,724 3,727 4,729 14,730 7,744 1,745 1,747 22,748 6,749 3,750 9,751 2,755 5,760 1,761 1,771 1,773 1,778 1,779 3,799 1,803 4,807 1,808 2,809 1,811 30,812 1,817 4,818 1,819 1,821 2,832 3,833 1.9,838 1,841 15.667,842 9.445,843 6.528,844 3.151,847 3.154,848 1.409,849 0.991,850 6.487,851 10.871,852 3.75,853 4.36,854 4.934,855 5.467,856 5.916,857 6.163,858 6.458,859 6.804,860 7.172,861 7.457,862 0.875,863 49,864 11.117,865 4.833,866 7.841,867 21.013,868 17.484,869 2.341,870 70.222,873 1,874 223.651,875 106.927,876 86.133,877 78.297,878 11,879 14.96,881 106.927,882 312.948,883 101.093,884 8.825,885 9.28,886 88.384,887 56.991,888 61.794,889 29.059,890 188.338,891 78.297,892 223.651,893 193.06,894 25.96,895 78.297,897 156.213,898 93.398,900 55.988,901 103.624,902 111.746,904 238.611,905 97.133,906 185.224,909 223.651,910 42.531,911 66.173,912 18.011,913 170.603,914 223.651,915 112.093,916 185.224,918 0.591,919 0.355,920 0.186,921 0.097,922 23,923 11,924 0.091,925 5,927 1,928 4.095,929 269.596,931 23,932 143.207,936 21.378,937 9.103,938 4.597,940 110.316,941 9.963,942 8.774,946 2.383,947 2.002,948 50.908,949 520.968,950 41.5,960 52.832,961 59.081,962 0.312,963 0.713,964 0.88,965 0.91,966 0.91,967 0.91,968 5.006,969 1.518,970 5.943,971 4.921,972 4.554,973 5.047,974 1.378,975 6.772,976 4.416,977 6.215,978 1.414,979 7.521,980 4.026,981 4.205,982 4.902,984 7.711,985 3.965,986 7.529,987 1.24,988 9.2,989 3.494,990 6.172,991 7.234,992 1.517,993 10.815,994 5.925,995 8.879,996 1,997 10.935,998 3.212,999 6.635,1000 7.908,1002 12.566,1003 6.288,1004 10.262,1005 0.934,1006 12.707,1007 2.429,1008 8.079,1009 9.719,1010 1.732,1011 15.186,1012 7.721,1013 11.666,1014 0.666,1015 14.503,1016 2.136,1017 8.901,1018 10.762,1020 17.27,1021 8.451,1022 13.086,1023 0.219,1024 16.317,1025 1.634,1026 10.146,1027 12.359,1028 1.968,1029 19.721,1030 9.669,1031 3.167,1032 0.188,1033 18.144,1034 0.504,1035 11.131,1036 13.581,1038 21.955,1039 10.571,1040 3.027,1041 10.939,1042 19.981,1043 0.427,1044 12.298,1045 15.081,1046 2.214,1047 24.345,1048 11.697,1049 2.822,1050 9.687,1051 21.827,1052 4.165,1053 13.358,1054 16.392,1056 26.648,1057 12.681,1058 2.518,1059 8.943,1060 23.679,1061 4.065,1062 14.496,1063 17.846,1064 2.468,1065 29.02,1066 13.767,1067 2.29,1068 8.103,1069 25.537,1070 3.69,1071 15.591,1072 19.203,1074 31.358,1075 14.791,1076 1.948,1077 6.876,1078 27.4,1079 3.005,1080 16.72,1081 20.635,1082 2.727,1083 33.727,1084 15.862,1085 1.869,1086 5.281,1087 29.267,1088 2.894,1089 17.833,1090 22.017,1092 36.084,1093 16.905,1094 11474,1095 20405,1096 21.789,1097 35.75,1098 50.135,1099 51.399,1100 51.655,1101 49.79,1102 49.642,1103 62.656,1104 3.102,1105 145.223,1106 45.89,1107 5.492,1108 5.623,1109 6.582,1110 5.171,1111 5.167,1112 7.165,1113 2.302,1114 18.081,1115 4.952,1116 15.841,1117 1.519,1118 1.558,1119 1.565,1120 1.509,1121 1.504,1122 1.899,1123 0.094,1124 4.401,1125 1.391,1126 4.05,1127 4.098,1128 4.126,1129 3.928,1130 8.201,1131 3.938,1132 3.938,1133 3.957,1134 3.987,1135 3.861,1136 5.192,1137 3.864,1138 3.827,1139 3.875,1140 3.763,1141 3.681,1142 4.961,1143 3.689,1144 3.634,1145 3.702,1146 3.592,1147 3.445,1148 4.932,1149 3.463,1150 3.395,1151 3.458,1152 3.538,1153 3.223,1154 4.616,1155 3.218,1156 3.111,1157 3.206,1158 3.258,1159 2.941,1160 4.59,1161 2.91,1162 3.057,1163 3.157,1164 3.11,1165 2.847,1166 4.375,1167 2.83,1168 2.939,1169 3.019,1170 2.927,1171 2.811,1172 4.324,1173 2.829,1174 0.136,1175 0.11,1176 0.205,1177 0.124,1178 0.096,1179 4.492,1180 0.126,1181 3.623,1182 0.035,1183 6.78,1184 0.331,1185 4.095,1186 0.089,1187 3.167,1188 4.165,1189 1.151,1190 10.939,1191 2.952,1192 1.91,1193 1.897,1194 2.039,1195 2.04,1196 1.392,1197 2.043,1198 1.856,1199 1.825,1200 1.967,1201 2.012,1202 1.171,1203 2.004,1204 1.815,1205 1.758,1206 1.903,1207 1.934,1208 1.02,1209 1.932,1210 1.424,1211 1.38,1212 1.675,1213 1.62,1214 0.825,1215 1.637,1216 1.333,1217 1.272,1218 1.513,1219 1.594,1220 0.787,1221 1.566,1222 1.236,1223 1.142,1224 1.505,1225 1.503,1226 0.639,1227 1.494,1228 1.153,1229 1.064,1230 1.416,1231 1.376,1232 0.494,1233 1.429,1234 0.85,1235 0.811,1236 1.17,1237 1.191,1238 0.185,1239 1.198,1240 4.205,1242 5.541,1243 2.398,1244 7.071,1245 4.595,1246 8.686,1247 6.605,1248 10.345,1250 1.73,1251 12.314,1252 13.882,1254 6.018,1256 4.068,1257 3.356,1258 5.975,1260 -0.243,1267 34.128,1268 92.467,1269 211.298,1270 260.913,1271 269.668,1272 269.668,1273 269.668,1274 62.812,1275 7.717,1276 77.99,1277 77.99,1278 23,1279 12.651,1280 4.17,1281 3.248,1282 47.079,1283 126,1284 128,1285 0.181,1286 215.049,1287 368.88,1288 516.478,1289 25301,1290 5.8,1291 21.25,1292 0.708,1293 0.597,1294 21.38,1295 17.92,1296 14.436,1297 0.437,1298 0.318,1299 9.662,1300 13.292,1301 9.412,1302 7.725,1303 14.602,1304 10.501,1305 13.223,1306 0.281,1307 0.172,1308 13.459,1309 8.1,1310 11.471,1311 0.182,1312 0.095,1313 11.538,1314 6.003,1315 9.315,1316 0.116,1317 0.054,1318 10.096,1319 4.308,1320 7.149,1321 0.074,1322 0.027,1323 7.001,1324 2.566,1325 0.285,1326 96.919,1327 0.214,1328 28.367,1329 0.491,1330 160,1331 520.834,1332 207.403,1333 537.371,1334 710.32,1335 500,1336 190,1337 479.673,1338 233.7,1339 495.485,1340 729.49,1341 467,1342 6.114}
{0 CHEMBL602471,1 1.796,2 11.037,3 4.965,4 24.653,5 104.199,6 9.649,7 0.586,8 3.848,9 3.935,10 3.618,11 3.48,12 5.111,13 3.468,14 4.321,15 4.434,16 4.027,17 3.845,18 5.652,19 3.824,20 4.586,21 4.721,22 4.206,23 3.982,24 5.913,25 3.943,26 4.588,27 4.739,28 4.227,29 3.957,30 5.852,31 3.885,32 4.565,33 4.737,34 3.932,35 3.868,36 5.872,37 3.781,38 4.491,39 4.693,40 3.836,41 3.79,42 5.714,43 3.707,44 4.396,45 4.585,46 3.816,47 3.742,48 5.597,49 3.656,50 4.282,51 4.458,52 3.74,53 3.613,54 5.567,55 3.548,56 0.122,57 0.6,58 4.657,59 3.45,60 13.999,61 3.733,62 0.274,63 0.927,64 10.063,65 5.991,66 31.495,67 6.62,68 0.624,69 1.133,70 19.333,71 8.244,72 69.549,73 8.212,74 0.662,75 1.102,76 27.806,77 8.683,78 65.855,79 9.237,80 0.741,81 1.073,82 27.482,83 8.904,84 68.764,85 10.053,86 0.52,87 1.079,88 18.984,89 8.007,90 69.403,91 9.38,92 0.409,93 0.922,94 21.378,95 7.399,96 39.402,97 8.698,98 0.404,99 0.897,100 16.165,101 6.228,102 49.165,103 6.734,104 40,105 41,106 0.311,107 0.687,108 0.826,109 0.907,110 0.907,111 0.907,112 3.34,113 0.908,114 -5.27,115 -5.16,116 -4.82,118 47.6,119 1,126 1,132 2,138 6,139 3,140 4,141 1,142 1,151 1,156 1,157 1,158 1,163 7,167 8,169 1,170 1,172 1,173 11,175 1,177 7,182 1,184 9,186 1,188 6,193 1,195 13,197 1,199 1,200 3,205 1,208 8,211 1,212 1,213 2,215 1,216 1,218 1,221 10,223 1,225 4,230 1,233 11,235 1,237 1,242 1,245 7,247 1,248 1,249 4,251 1,252 1,254 1,257 6,259 1,260 1116,261 17.654,262 17.654,263 17.654,264 17.654,265 17.654,266 15.217,267 12.271,268 10.235,269 18.069,270 14.262,271 14.262,272 14.262,273 14.262,274 14.262,275 10.576,276 12.364,277 4.862,278 15.092,279 3.596,280 1.43,281 0.625,282 0.161,283 0.161,284 0.161,285 4.017,286 2,288 1,289 1,290 623,291 3.606,294 239.218,298 123.964,301 1.819,302 36.864,305 1,306 1,307 1,308 0.6,310 1,311 1,312 0.8,313 59.167,314 298,315 4.492,316 3.62,317 6.779,318 4.088,319 3.161,320 4.38,321 1.151,322 10.932,323 2.926,324 4.439,325 3.39,326 6.221,327 3.945,328 2.966,329 4.161,330 0.98,331 9.384,332 2.871,333 3.854,334 3.1,335 5.617,336 3.446,337 2.489,338 3.302,340 7.286,341 2.414,342 3.676,343 2.927,344 5.343,345 3.292,346 2.336,347 2.998,349 6.783,350 2.201,351 3.547,352 2.73,353 5.233,354 3.132,355 2.177,356 2.871,358 6.44,359 2.08,360 3.432,361 2.372,362 4.792,363 3.009,364 2.043,365 2.702,367 5.049,368 1.925,369 3.171,370 2.2,371 4.61,372 2.746,373 1.844,374 2.389,376 5.027,377 1.561,378 3.061,379 1.983,380 4.403,381 2.547,382 1.57,383 2.321,385 4.303,386 1.528,387 2.601,388 1.575,389 4.205,390 2.231,391 1.33,392 1.617,394 3.481,395 1.149,396 2.421,397 1.012,398 3.317,399 1.806,400 0.845,401 1.242,403 1.949,404 0.806,405 2.177,406 0.887,407 3.026,408 1.536,409 0.534,410 0.847,411 1.221,412 0.532,413 1.459,414 0.83,415 3,416 0.986,417 0.213,418 0.253,419 0.453,420 0.143,421 1.294,422 0.672,423 2.718,424 0.898,425 0.036,426 0.043,427 0.098,428 0.027,429 1.07,430 0.142,431 2.541,432 0.617,433 -0.259,434 -0.307,435 -0.626,436 -0.201,437 1,438 0.059,439 2.296,440 0.572,441 -0.407,442 -0.549,443 -1.088,444 -0.398,445 13.181,446 0.488,447 0.826,448 0.031,449 36.25,450 1.343,451 19.5,452 0.722,453 16.75,454 0.62,455 21.789,456 0.807,457 28.219,458 0.672,459 27.641,460 1.024,461 7.352,462 0.272,463 5.495,464 0.204,465 0.224,467 0.379,470 1,471 0.649,472 0.918,473 0.525,474 0.786,475 0.641,476 0.759,477 0.744,478 1.002,479 0.594,480 0.87,481 0.545,482 0.836,483 1.166,484 1.008,485 0.898,486 0.908,487 0.978,488 0.925,489 0.929,490 0.957,491 1.106,492 1.127,493 0.791,494 1.105,495 0.85,496 0.95,497 1.239,498 1.222,499 0.751,500 1.201,501 0.873,502 0.878,503 0.703,504 0.823,505 0.978,506 0.931,507 0.854,508 0.919,509 1.064,510 0.996,511 0.685,512 0.991,513 1.149,514 1.12,515 1.024,516 0.984,517 1.176,518 1.021,519 6.5,520 0.157,521 3.333,522 2.125,523 1.831,524 0.861,525 0.568,526 0.464,527 0.358,528 0.231,529 8581,530 33267,531 1.992,532 35.7,534 9,536 1,537 2,539 3,542 1.7,543 1.82,544 3.432,545 0.267,550 75.435,551 1.796,552 3.963,553 4.767,554 5.231,555 5.231,556 5.231,557 2.908,558 4.282,559 4.726,560 3.624,561 1272.05,562 8.198,563 16526.9,565 1,568 226.477,569 1.541,570 4.659,571 0.224,572 0.009,573 0.081,574 0.049,575 0.048,576 0.026,577 0.018,578 0.015,579 0.013,580 0.01,581 0.495,582 0.17,583 1,584 1.187,585 134.628,586 -0.057,587 0.03,588 -0.003,589 0.037,590 -0.104,591 0.045,592 0.001,593 -0.077,594 0.061,595 0.007,596 0.09,597 0.031,598 -0.124,599 -0.044,600 -0.012,601 0.038,602 -0.079,603 -0.016,604 0.015,605 -0.07,606 0.007,607 -0.139,608 -0.054,609 -0.14,610 0.096,611 -0.024,612 -0.187,613 -0.219,614 0.063,615 -0.193,616 -0.02,617 0.091,618 0.083,619 0.14,620 -0.052,621 0.091,622 -0.076,623 -0.073,624 -0.04,625 -0.006,626 0.002,627 0.04,628 -0.176,629 -0.068,630 -0.085,631 -0.019,632 -0.15,633 -0.055,634 2.222,635 5.747,636 0.593,637 25.259,638 1.026,639 1.118,640 4.037,641 16.297,642 0.73,643 3.401,644 3.738,645 3.97,646 4.205,647 4.419,648 4.431,649 4.511,650 4.654,651 4.762,652 4.754,653 6.666,654 0.708,655 405.27,656 3.401,657 4.949,658 5.79,659 6.668,660 7.528,661 8.408,662 9.276,663 10.158,664 11.03,665 11.913,666 4.8,673 1,676 1,680 2,681 7,682 1,686 6,688 17,703 1,704 3,705 42,706 19,707 2,708 29,710 44,711 20,712 15,713 7,714 5,715 3,717 3,718 4,719 2,721 1,727 1,729 18,730 2,733 2,737 1,738 2,740 1,745 1,747 15,748 5,749 2,750 7,751 2,755 2,760 0.667,761 2,773 1,779 3,783 1,789 1,795 2,803 2,807 1,808 2,809 1,811 27,812 1,819 1,821 1,832 3,833 4.8,836 1,838 1,841 14.833,842 7.879,843 5.889,844 2.363,847 3.691,848 1.504,849 0.987,850 5.878,851 11.013,852 3.701,853 4.344,854 4.931,855 5.497,856 6.093,857 6.366,858 6.738,859 7.174,860 7.598,861 7.697,862 1,863 43,864 9.946,865 4.276,866 8.095,867 18.238,868 14.659,869 2.595,870 70.056,873 1,874 153.024,875 130.841,876 49.683,877 78.297,878 36.145,879 14.96,881 130.841,882 267.466,883 64.643,884 8.825,885 32.897,886 75.81,887 58.406,888 52.501,889 14.96,890 141.253,891 78.297,892 153.024,893 180.524,894 51.105,895 78.297,897 132.671,898 71.458,900 52.914,901 91.872,902 114.035,904 167.984,905 85.828,906 209.138,909 153.024,910 37.159,911 93.683,913 179.085,914 153.024,915 100.788,916 209.138,918 0.59,919 0.335,920 0.173,921 0.096,922 19,923 10,924 0.114,925 5,926 1,927 1.125,928 3.799,929 224.472,930 0.125,931 16,932 128.382,936 19.463,937 8.155,938 4.519,939 1.566,940 100.788,941 11.489,942 4.327,946 1.369,948 32.897,949 462.95,950 39.5,954 10.872,955 2.844,957 -0.537,960 43.087,961 46.965,962 0.333,963 0.735,964 0.884,965 0.97,966 0.97,967 0.97,968 4.936,969 1.57,970 5.796,971 5.027,972 4.419,973 5.03,974 1.717,975 6.605,976 4.305,977 6.175,978 1.33,979 7.363,980 4.303,981 4.111,982 4.945,984 7.516,985 3.902,986 7.495,987 0.845,988 9.027,989 3.481,990 6.019,991 7.289,992 1.849,993 10.599,994 5.813,995 8.849,996 0.534,997 10.746,998 1.949,999 6.463,1000 7.974,1002 12.322,1003 6.149,1004 10.23,1005 0.213,1006 12.501,1007 1.221,1008 7.892,1009 9.831,1010 2.004,1011 14.953,1012 7.581,1013 11.631,1014 0.036,1015 14.283,1016 0.453,1017 8.691,1018 10.896,1020 17.038,1021 8.274,1022 13.049,1023 -0.259,1024 16.085,1025 0.098,1026 9.933,1027 12.541,1028 2.181,1029 19.506,1030 9.501,1031 3.161,1032 -0.407,1033 17.904,1034 -0.626,1035 10.906,1036 13.803,1038 21.754,1039 10.377,1040 2.966,1041 10.932,1042 19.737,1043 -1.088,1044 12.074,1045 15.35,1046 2.378,1047 24.161,1048 11.511,1049 2.489,1050 9.384,1051 21.581,1052 4.38,1053 13.131,1054 16.712,1056 26.482,1057 12.48,1058 2.336,1059 7.286,1060 23.435,1061 4.161,1062 14.272,1063 18.213,1064 2.592,1065 28.869,1066 13.573,1067 2.177,1068 6.783,1069 25.296,1070 3.302,1071 15.368,1072 19.625,1074 31.222,1075 14.589,1076 2.043,1077 6.44,1078 27.165,1079 2.998,1080 16.501,1081 21.104,1082 2.821,1083 33.603,1084 15.663,1085 1.844,1086 5.049,1087 29.04,1088 2.871,1089 17.617,1090 22.542,1092 35.972,1093 16.703,1094 8498,1095 16862,1096 18.611,1097 30.665,1098 43.971,1099 45.785,1100 45.231,1101 43.185,1102 43.087,1103 58.25,1104 4.261,1105 124.815,1106 40.326,1107 5.328,1108 5.62,1109 6.163,1110 5.156,1111 5.161,1112 7.38,1113 2.302,1114 18.068,1115 4.926,1116 16.605,1117 1.516,1118 1.579,1119 1.56,1120 1.489,1121 1.486,1122 2.009,1123 0.147,1124 4.304,1125 1.391,1126 4.082,1127 4.105,1128 4.129,1129 4.012,1130 8.201,1131 4.017,1132 3.933,1133 3.946,1134 4.026,1135 3.882,1136 7.438,1137 3.877,1138 3.672,1139 3.7,1140 3.61,1141 3.559,1142 5.035,1143 3.564,1144 3.462,1145 3.505,1146 3.592,1147 3.272,1148 4.946,1149 3.286,1150 3.323,1151 3.382,1152 3.386,1153 3.164,1154 4.888,1155 3.166,1156 2.998,1157 3.061,1158 3.199,1159 2.852,1160 4.618,1161 2.854,1162 2.939,1163 2.982,1164 3.106,1165 2.847,1166 4.601,1167 2.829,1168 2.899,1169 2.949,1170 2.897,1171 2.673,1172 4.229,1173 2.695,1174 0.155,1175 0.125,1176 0.234,1177 0.141,1178 0.109,1179 4.492,1180 0.151,1181 3.62,1182 0.04,1183 6.779,1184 0.377,1185 4.088,1186 0.101,1187 3.161,1188 4.38,1189 1.151,1190 10.932,1191 2.926,1192 2.039,1193 2.019,1194 2.109,1195 2.125,1196 1.228,1197 2.121,1198 1.893,1199 1.882,1200 1.945,1201 1.968,1202 1.158,1203 1.972,1204 1.634,1205 1.608,1206 1.763,1207 1.787,1208 0.816,1209 1.776,1210 1.41,1211 1.36,1212 1.673,1213 1.631,1214 0.775,1215 1.64,1216 1.289,1217 1.242,1218 1.467,1219 1.498,1220 0.429,1221 1.501,1222 0.974,1223 0.919,1224 1.195,1225 1.181,1226 0.227,1227 1.183,1228 0.843,1229 0.811,1230 1.15,1231 1.123,1232 0.178,1233 1.153,1234 0.821,1235 0.771,1236 1.027,1237 0.971,1239 0.999,1240 4.078,1242 5.407,1244 6.927,1246 8.539,1248 10.202,1250 1.737,1251 12.193,1252 13.747,1254 5.108,1258 5.908,1260 -0.566,1267 29.725,1268 75.435,1269 166.438,1270 200.213,1271 219.722,1272 219.722,1273 219.722,1274 61.935,1275 7.321,1276 65.21,1277 65.21,1278 18,1279 12.449,1280 4.322,1281 3.524,1282 47.078,1283 108,1284 110,1285 0.214,1286 190.608,1287 334.45,1288 456.844,1289 14778,1290 7.1,1291 19.552,1292 0.724,1293 0.584,1294 19.681,1295 15.76,1296 12.846,1297 0.443,1298 0.303,1299 7.988,1300 11.861,1301 7.728,1302 6.372,1303 13.013,1304 8.779,1305 12.031,1306 0.293,1307 0.162,1308 12.267,1309 6.661,1310 9.584,1311 0.184,1312 0.089,1313 9.651,1314 4.626,1315 7.774,1316 0.118,1317 0.05,1318 8.555,1319 3.326,1320 6.191,1321 0.076,1322 0.023,1323 6.043,1324 1.913,1325 0.338,1326 86.431,1327 0.232,1328 26.002,1329 0.581,1330 140,1331 510.946,1332 184.039,1333 528.433,1334 683.62,1335 488,1336 163,1337 443.369,1338 200.98,1339 462.765,1340 675.66,1341 435,1342 4.585}
{0 CHEMBL602472,1 1.765,2 11.071,3 4.875,4 23.765,5 105.75,6 9.318,7 0.548,8 3.927,9 4.018,10 3.675,11 3.562,12 5.119,13 3.544,14 4.429,15 4.554,16 4.071,17 3.936,18 5.655,19 3.901,20 4.7,21 4.848,22 4.276,23 4.074,24 5.959,25 4.032,26 4.725,27 4.885,28 4.274,29 4.057,30 5.948,31 3.976,32 4.694,33 4.893,34 3.979,35 3.956,36 5.919,37 3.858,38 4.563,39 4.764,40 3.887,41 3.875,42 5.736,43 3.785,44 4.499,45 4.693,46 3.875,47 3.825,48 5.644,49 3.735,50 4.388,51 4.573,52 3.774,53 3.686,54 5.611,55 3.612,56 0.107,57 0.655,58 5.765,59 3.912,60 15.337,61 4.417,62 0.258,63 1.032,64 12.56,65 6.965,66 38.302,67 8.06,68 0.619,69 1.267,70 23.362,71 9.423,72 79.383,73 10.008,74 0.709,75 1.267,76 31.574,77 9.867,78 79.579,79 10.744,80 0.78,81 1.214,82 32.778,83 10.269,84 77.135,85 12.212,86 0.485,87 1.157,88 20.389,89 8.635,90 66.63,91 10.325,92 0.395,93 1.015,94 23.651,95 8.273,96 41.101,97 9.95,98 0.432,99 0.973,100 19.03,101 7.026,102 51.362,103 7.766,104 38,105 46,106 0.302,107 0.677,108 0.832,109 0.906,110 0.906,111 0.906,112 3.375,113 0.929,114 -5.16,115 -5.06,116 -4.73,118 46.7,119 1,120 1,121 2,126 1,138 6,139 3,140 4,141 1,142 1,151 1,156 1,157 1,158 1,163 9,167 8,169 1,170 1,172 1,173 12,175 1,177 8,182 2,184 10,186 2,188 7,193 1,195 14,197 1,199 1,200 3,205 1,208 9,211 1,212 1,213 2,215 1,216 1,218 1,221 11,223 1,225 5,230 1,233 12,235 1,237 1,242 1,245 7,247 1,248 1,249 4,251 1,252 1,254 1,257 8,259 1,260 1192,261 18.447,262 18.447,263 18.447,264 18.447,265 18.447,266 16.165,267 17.284,268 10.399,269 18.865,270 15.235,271 15.235,272 15.235,273 15.235,274 15.235,275 11.818,276 17.735,277 4.891,278 16.07,279 3.727,280 1.537,281 0.628,282 0.195,283 0.195,284 0.195,285 4.057,286 2,288 1,289 1,290 670,291 3.464,292 50.031,294 244.79,298 126.042,301 1.791,302 38.901,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 61.167,314 310,315 4.502,316 3.772,317 6.801,318 4.249,319 3.248,320 4.384,321 1.886,322 11.227,323 3.25,324 4.474,325 3.62,326 6.779,327 4.087,328 3.16,329 4.161,330 1.151,331 10.932,332 2.9,333 4.247,334 3.146,335 6.206,336 3.892,337 2.911,338 3.497,340 9.313,341 2.844,342 3.735,343 3.045,344 5.618,345 3.365,346 2.441,347 3.091,349 7.269,350 2.275,351 3.573,352 2.865,353 5.473,354 3.195,355 2.233,356 2.89,358 6.756,359 2.121,360 3.47,361 2.672,362 5.29,363 3.043,364 2.104,365 2.774,367 6.451,368 1.945,369 3.171,370 2.309,371 4.792,372 2.749,373 1.849,374 2.389,376 5.035,377 1.578,378 3.074,379 2.014,380 4.466,381 2.586,382 1.593,383 2.331,385 4.377,386 1.56,387 2.854,388 1.892,389 4.309,390 2.466,391 1.471,392 1.88,394 3.801,395 1.452,396 2.591,397 1.57,398 4.201,399 2.227,400 1.323,401 1.608,403 3.47,404 1.146,405 2.231,406 0.941,407 3.315,408 1.73,409 0.771,410 1.109,411 1.839,412 0.735,413 1.459,414 0.869,415 3.026,416 0.986,417 0.213,418 0.253,419 0.453,420 0.143,421 1.317,422 0.727,423 3,424 0.977,425 0.054,426 0.063,427 0.143,428 0.042,429 1.205,430 0.51,431 2.718,432 0.871,433 -0.061,434 -0.071,435 -0.176,436 -0.056,437 1.007,438 0.086,439 2.592,440 0.596,441 -0.274,442 -0.322,443 -0.688,444 -0.218,445 13.681,446 0.489,447 0.912,448 0.033,449 35.75,450 1.277,451 18,452 0.643,453 17.75,454 0.634,455 25.007,456 0.893,457 29.519,458 0.656,459 26.454,460 0.945,461 6.803,462 0.243,463 6.543,464 0.234,465 0.215,467 0.439,470 1,471 0.629,472 0.922,473 0.528,474 0.798,475 0.605,476 0.774,477 0.702,478 1.016,479 0.605,480 0.913,481 0.533,482 0.892,483 1.129,484 1.007,485 0.845,486 0.895,487 1.005,488 0.892,489 0.989,490 0.986,491 1.102,492 1.131,493 0.92,494 1.142,495 0.807,496 0.876,497 1.135,498 1.098,499 0.697,500 1.081,501 0.854,502 0.907,503 0.711,504 0.861,505 0.952,506 0.962,507 0.853,508 0.941,509 1.025,510 1.016,511 0.659,512 1.001,513 1.217,514 1.083,515 1.014,516 0.954,517 1.134,518 1.003,519 6.5,520 0.173,521 3.889,522 2.889,523 1.916,524 0.924,525 0.605,526 0.477,527 0.358,528 0.236,529 10008,530 34753,531 2.051,532 37.8,533 3,534 7,536 1,537 2,538 1,539 3,542 1.709,543 1.867,544 3.448,545 0.247,550 79.408,551 1.765,552 3.955,553 4.864,554 5.297,555 5.297,556 5.297,557 2.91,558 4.522,559 4.781,560 3.633,561 1373.25,562 8.305,563 18205.3,565 1,568 247.133,569 1.531,570 4.711,571 0.21,572 0.009,573 0.09,574 0.061,575 0.048,576 0.026,577 0.018,578 0.015,579 0.013,580 0.009,581 0.5,582 0.17,583 1,584 0.82,585 140.984,586 -0.05,587 0.046,588 0.001,589 0.049,590 -0.066,591 0.056,592 0.016,593 -0.086,594 0.054,595 -0.018,596 0.086,597 0.003,598 -0.094,599 -0.047,600 0.031,601 0.052,602 -0.074,603 0.029,604 -0.023,605 -0.089,606 -0.037,607 -0.159,608 -0.094,609 -0.192,610 0.108,611 0.041,612 -0.099,613 -0.096,614 0.082,615 -0.057,616 -0.018,617 0.069,618 0.052,619 0.09,620 -0.05,621 0.034,622 -0.064,623 -0.092,624 -0.03,625 -0.033,626 0.006,627 0.015,628 -0.192,629 -0.05,630 -0.083,631 0.011,632 -0.128,633 -0.041,634 2.211,635 5.794,636 0.679,637 25.551,638 1.022,639 1.12,640 3.932,641 15.459,642 0.721,643 3.466,644 3.85,645 4.111,646 4.357,647 4.543,648 4.615,649 4.745,650 4.905,651 5.03,652 5.081,653 6.725,654 0.694,655 419.3,656 3.466,657 5.043,658 5.922,659 6.828,660 7.721,661 8.629,662 9.527,663 10.435,664 11.336,665 12.245,666 4.4,673 1,676 1,680 2,681 7,682 1,686 6,688 17,703 1,704 3,705 45,706 18,707 2,708 31,710 48,711 21,712 15,713 7,714 5,717 4,718 5,719 2,721 1,724 1,725 2,727 2,729 16,730 5,731 2,733 1,737 1,740 1,745 1,747 17,748 5,749 2,750 7,751 2,755 2,760 0.75,761 2,773 1,777 1,779 3,783 1,789 1,803 3,807 1,808 2,809 1,811 28,812 1,817 1,819 1,821 3,832 3,833 4.4,836 1,838 1,841 15,842 8.379,843 5.972,844 2.696,847 3.413,848 1.444,849 0.998,850 5.107,851 11.109,852 3.726,853 4.382,854 4.952,855 5.525,856 6.096,857 6.383,858 6.76,859 7.197,860 7.611,861 7.768,862 1,863 47,864 10.388,865 4.649,866 8.008,867 19.373,868 16.569,869 2.508,870 70.222,873 1,874 176.567,875 114.423,876 49.683,877 78.297,878 36.145,879 14.96,881 114.423,882 291.009,883 64.643,884 8.825,885 35.432,886 56.857,887 58.406,888 52.501,889 14.96,890 164.795,891 78.297,892 176.567,893 164.106,894 51.105,895 78.297,897 156.213,898 71.458,900 55.448,901 91.872,902 95.083,904 191.527,905 85.828,906 192.72,909 176.567,910 39.693,911 74.73,913 179.085,914 176.567,915 100.788,916 192.72,918 0.602,919 0.351,920 0.183,921 0.092,922 24,923 12,924 0.104,925 5,926 1,927 1.105,928 3.937,929 246.842,930 0.105,931 19,932 134.606,936 19.285,937 7.415,938 3.924,939 1.69,940 100.788,941 11.942,942 4.455,946 1.719,948 32.897,949 470.075,950 40.5,954 11.332,957 -0.278,960 45.971,961 50.38,962 0.321,963 0.72,964 0.886,965 0.965,966 0.965,967 0.965,968 4.999,969 1.593,970 5.948,971 5.035,972 4.533,973 5.069,974 2.238,975 6.817,976 4.432,977 6.249,978 1.471,979 7.555,980 4.377,981 4.369,982 5.066,983 1.593,984 7.904,985 4.212,986 7.591,987 1.323,988 9.262,989 3.801,990 6.225,991 7.325,992 3.04,993 10.977,994 6.062,995 8.963,996 0.771,997 11.023,998 3.47,999 6.804,1000 8.06,1001 2.98,1002 12.835,1003 6.593,1004 10.361,1005 0.213,1006 12.82,1007 1.839,1008 8.209,1009 9.87,1010 4.056,1011 15.47,1012 7.997,1013 11.778,1014 0.054,1015 14.64,1016 0.453,1017 9.113,1018 10.959,1019 4.33,1020 17.645,1021 8.866,1022 13.21,1023 -0.061,1024 16.478,1025 0.143,1026 10.356,1027 12.581,1028 5.197,1029 20.129,1030 10.102,1031 3.248,1032 -0.274,1033 18.33,1034 -0.176,1035 11.402,1036 13.851,1037 5.648,1038 22.436,1039 11.124,1040 3.16,1041 11.227,1042 20.192,1043 -0.688,1044 12.586,1045 15.386,1046 6.404,1047 24.865,1048 12.298,1049 2.911,1050 10.932,1051 22.062,1052 4.384,1053 13.694,1054 16.749,1055 6.944,1056 27.227,1057 13.389,1058 2.441,1059 9.313,1060 23.94,1061 4.161,1062 14.857,1063 18.243,1064 7.643,1065 29.637,1066 14.543,1067 2.233,1068 7.269,1069 25.823,1070 3.497,1071 15.992,1072 19.655,1073 8.228,1074 32.022,1075 15.667,1076 2.104,1077 6.756,1078 27.711,1079 3.091,1080 17.15,1081 21.13,1082 8.897,1083 34.427,1084 16.817,1085 1.849,1086 6.451,1087 29.603,1088 2.89,1089 18.299,1090 22.567,1091 9.506,1092 36.823,1093 17.958,1094 9570,1095 17969,1096 20.115,1097 32.426,1098 47.43,1099 49.798,1100 49.389,1101 46.78,1102 46.744,1103 60.859,1104 6.073,1105 142.132,1106 43.98,1107 5.363,1108 5.772,1109 6.154,1110 5.321,1111 5.248,1112 7.384,1113 3.272,1114 18.364,1115 5.25,1116 16.953,1117 1.53,1118 1.606,1119 1.593,1120 1.509,1121 1.508,1122 1.963,1123 0.196,1124 4.585,1125 1.419,1126 4.116,1127 4.141,1128 4.132,1129 4.045,1130 8.201,1131 4.047,1132 3.942,1133 3.955,1134 4.051,1135 3.886,1136 7.436,1137 3.881,1138 3.873,1139 3.903,1140 3.805,1141 3.786,1142 5.03,1143 3.784,1144 3.478,1145 3.517,1146 3.592,1147 3.312,1148 4.944,1149 3.324,1150 3.329,1151 3.388,1152 3.405,1153 3.188,1154 4.882,1155 3.18,1156 3.139,1157 3.219,1158 3.206,1159 2.853,1160 4.617,1161 2.871,1162 2.984,1163 3.043,1164 3.109,1165 2.847,1166 4.595,1167 2.847,1168 2.939,1169 2.949,1170 3.009,1171 2.819,1172 4.21,1173 2.829,1174 0.145,1175 0.122,1176 0.219,1177 0.137,1178 0.105,1179 4.502,1180 0.141,1181 3.772,1182 0.061,1183 6.801,1184 0.362,1185 4.249,1186 0.105,1187 3.248,1188 4.384,1189 1.886,1190 11.227,1191 3.25,1192 2.033,1193 2.013,1194 2.102,1195 2.119,1196 1.246,1197 2.115,1198 1.892,1199 1.881,1200 1.944,1201 1.967,1202 1.161,1203 1.971,1204 1.533,1205 1.505,1206 1.693,1207 1.704,1208 0.903,1209 1.688,1210 1.403,1211 1.358,1212 1.636,1213 1.651,1214 0.832,1215 1.644,1216 1.363,1217 1.307,1218 1.578,1219 1.541,1220 0.784,1221 1.57,1222 1.002,1223 0.932,1224 1.305,1225 1.24,1226 0.431,1227 1.272,1228 0.972,1229 0.916,1230 1.193,1231 1.151,1232 0.225,1233 1.169,1234 0.821,1235 0.811,1236 1.073,1237 1.032,1238 0.177,1239 1.058,1240 4.143,1241 1.946,1242 5.509,1243 3.932,1244 7.072,1245 5.9,1246 8.727,1247 7.82,1248 10.429,1250 1.757,1251 12.25,1252 13.794,1254 5.38,1256 0.756,1258 5.963,1260 -0.536,1267 31.252,1268 79.408,1269 177.972,1270 218.869,1271 238.379,1272 238.379,1273 238.379,1274 63.594,1275 7.696,1276 65.21,1277 65.21,1278 21,1279 12.762,1280 4.248,1281 3.392,1282 42.532,1283 114,1284 107,1285 0.183,1286 195.734,1287 342.03,1288 469.352,1289 23538,1290 6.7,1291 19.999,1292 0.714,1293 0.588,1294 20.129,1295 16.467,1296 13.346,1297 0.431,1298 0.31,1299 8.804,1300 12.366,1301 8.543,1302 6.975,1303 13.513,1304 9.595,1305 12.761,1306 0.277,1307 0.169,1308 12.997,1309 7.776,1310 10.481,1311 0.175,1312 0.092,1313 10.548,1314 5.535,1315 8.658,1316 0.112,1317 0.052,1318 9.439,1319 4.001,1320 6.547,1321 0.07,1322 0.024,1323 6.399,1324 2.258,1325 0.289,1326 89.431,1327 0.223,1328 26.732,1329 0.498,1330 154,1331 514.946,1332 198.039,1333 531.622,1334 693.42,1335 492,1336 186,1337 455.369,1338 224.479,1339 474.039,1340 699.48,1341 447,1342 4.301}
{0 CHEMBL605003,1 1.672,2 9.462,3 3.141,4 9.865,5 102.244,6 7.904,7 0.379,8 3.962,9 4.066,10 3.738,11 3.558,12 4.984,13 3.51,14 4.539,15 4.7,16 4.088,17 3.995,18 5.764,19 3.93,20 4.769,21 4.94,22 4.086,23 4.132,24 5.928,25 4.034,26 4.907,27 5.13,28 3.923,29 4.049,30 6.058,31 3.949,32 4.628,33 4.83,34 3.89,35 3.895,36 5.772,37 3.802,38 4.602,39 4.813,40 3.867,41 3.832,42 5.75,43 3.753,44 4.514,45 4.706,46 3.805,47 3.772,48 5.847,49 3.699,50 4.505,51 4.686,52 3.682,53 3.745,54 5.706,55 3.64,56 0.093,57 0.727,58 12.112,59 4.686,60 15.481,61 5.599,62 0.383,63 1.195,64 20.171,65 8.127,66 48.823,67 10.206,68 0.215,69 1.446,70 31.994,71 11.751,72 40.037,73 13.697,74 0.6,75 1.464,76 33.712,77 11.205,78 102.314,79 13.925,80 0.308,81 1.192,82 23.736,83 8.88,84 45.117,85 11.424,86 0.379,87 1.151,88 25.434,89 8.709,90 50.631,91 11.008,92 0.473,93 1.045,94 20.952,95 7.523,96 91.111,97 9.818,98 0.367,99 1.075,100 21.399,101 7.496,102 46.762,103 9.104,104 28,105 44,106 0.284,107 0.643,108 0.778,109 0.829,110 0.843,111 0.843,112 3.305,113 1.046,114 -2.89,115 -2.9,116 -2.8,118 40.4,120 4,123 2,132 1,133 1,138 4,139 2,140 2,148 2,151 1,163 9,166 3,167 1,170 1,172 7,173 10,177 8,182 6,184 10,188 8,193 2,195 7,200 5,203 1,204 1,205 2,208 7,213 4,216 3,218 2,221 6,224 3,225 2,230 3,233 6,237 5,240 3,242 2,245 5,249 3,257 4,260 978,261 17.082,262 17.082,263 17.082,264 17.082,265 17.082,266 15.287,267 19.236,268 9.617,269 17.352,270 14.285,271 14.285,272 14.285,273 14.285,274 14.285,275 11.179,276 18.184,277 4.538,278 14.738,279 3.882,280 1.764,281 0.968,282 0.67,283 0.585,284 0.585,285 3.995,287 1,288 1,289 1,290 534,291 3.742,293 104.545,294 133.478,297 199.262,301 1.538,302 35.045,304 1,305 1,306 1,307 1,308 0.8,309 0.5,310 1,311 1,312 0.9,313 56.5,314 246,315 4.927,316 4.722,317 7.62,318 4.421,319 3.496,320 4.764,321 1.058,322 13.305,323 3.236,324 4.522,325 3.652,326 6.731,327 4.159,328 3.171,329 4.133,330 0.4,331 10.969,332 3.1,333 4.318,334 3.159,335 6.242,336 3.942,337 2.963,338 3.953,340 9.468,341 2.9,342 3.696,343 2.753,344 5.56,345 3.263,346 2.268,347 3.094,349 7.055,350 2.254,351 3.363,352 2.288,353 5.277,354 3.025,355 2.035,356 2.575,358 6.011,359 2.007,360 3.113,361 2.242,362 5.068,363 2.744,364 1.784,365 2.3,367 5.469,368 1.704,369 2.991,370 1.871,371 4.734,372 2.605,373 1.616,374 2.108,376 4.71,377 1.589,378 2.77,379 1.818,380 4.414,381 2.513,382 1.532,383 1.836,385 4.312,386 1.501,387 2.504,388 1.383,389 3.861,390 2.364,391 1.368,392 1.476,394 2.974,395 1.362,396 2.464,397 1.346,398 3.652,399 2.086,400 1.135,401 1.396,403 2.735,404 1.074,405 2.346,406 0.937,407 3.567,408 1.793,409 0.799,410 1.176,411 2.151,412 0.791,413 1.574,414 0.655,415 3,416 1.321,417 0.347,418 0.417,419 0.86,420 0.338,421 1.426,422 0.381,423 2.947,424 0.992,425 0.003,426 0.004,427 0.008,428 0.003,429 1,430 0.079,431 2.741,432 0.477,433 -0.54,434 -0.664,435 -1.478,436 -0.539,437 0.834,438 -0.221,439 2.386,440 0.188,441 -0.805,442 -0.993,443 -2,444 -0.792,445 12.533,446 0.482,447 0.9,448 0.035,449 33.25,450 1.279,451 16.5,452 0.635,453 16.75,454 0.644,455 21.763,456 0.837,457 28.267,458 0.601,459 25.766,460 0.991,461 6.114,462 0.235,463 6.244,464 0.24,465 0.16,466 0.066,467 0.351,471 0.544,472 1.331,473 0.816,474 1.201,475 0.594,476 0.944,477 0.551,478 0.954,479 0.733,480 0.812,481 0.483,482 0.82,483 0.878,484 1.285,485 1.368,486 1.432,487 0.746,488 1.158,489 1.505,490 0.859,491 0.979,492 0.793,493 1.527,494 0.919,495 0.877,496 1.067,497 0.807,498 0.981,499 0.947,500 1.01,501 0.855,502 1.008,503 0.864,504 0.994,505 0.945,506 0.912,507 0.815,508 1.035,509 0.749,510 0.89,511 0.848,512 0.942,513 1.176,514 1.165,515 1.278,516 1.234,517 1.106,518 1.3,519 7,520 0.157,521 4,522 2.618,523 1.311,524 1.067,525 0.86,526 0.5,527 0.244,528 0.205,529 7639,530 20208,531 2.069,532 44.7,533 6,534 11,537 2,538 2,542 1.693,543 1.891,544 3.248,545 0.289,546 1,547 1,550 78.607,551 1.672,552 3.79,553 4.586,554 4.884,555 4.969,556 4.969,557 2.701,558 4.056,559 4.674,560 3.405,561 1106.73,562 8.109,563 13453.5,565 1,567 1,568 261.066,569 1.693,570 4.603,571 0.241,572 0.011,573 0.091,574 0.06,575 0.036,576 0.031,577 0.025,578 0.016,579 0.009,580 0.011,581 0.532,582 0.5,583 1,584 1,585 125.595,586 0.071,587 -0.121,588 0.214,589 -0.052,590 -0.106,591 0.044,592 0.254,593 0.157,594 0.167,595 0.178,596 0.214,597 0.139,598 -0.056,599 -0.215,600 -0.199,601 -0.261,602 0.071,603 -0.143,604 -0.26,605 0.072,606 -0.082,607 0.097,608 -0.193,609 0.024,610 0.04,611 -0.085,612 0.074,613 -0.042,614 -0.029,615 -0.036,616 0.12,617 -0.012,618 0.101,619 -0.026,620 0.007,621 0.06,622 0.244,623 -0.058,624 0.096,625 0.014,626 0.249,627 0.01,628 -0.081,629 -0.092,630 -0.315,631 -0.275,632 -0.062,633 -0.38,634 4.472,635 5.42,636 0.692,637 20.97,638 1.007,639 1.123,640 1.658,641 2.749,642 0.678,643 3.401,644 3.807,645 4.111,646 4.357,647 4.575,648 4.71,649 4.934,650 5.088,651 5.05,652 5.142,653 5.851,654 0.641,655 371.5,656 3.401,657 4.99,658 5.872,659 6.783,660 7.685,661 8.597,662 9.505,663 10.419,664 11.329,665 12.244,666 6.4,669 1,673 1,674 1,681 4,683 1,686 6,688 11,705 47,706 15,707 1,708 29,710 50,711 19,712 10,713 3,714 3,715 3,717 4,718 6,724 4,727 4,729 13,730 6,733 4,736 1,737 3,738 1,740 2,743 1,744 1,747 21,748 5,749 2,750 7,751 1,755 3,760 0.5,761 3,775 1,778 2,779 2,782 2,790 1,795 1,796 1,803 2,805 1,807 2,811 26,815 1,817 4,818 1,822 1,833 6.4,836 3,841 13.75,842 9.033,843 5.444,844 2.85,847 2.919,848 1.379,849 1.03,850 4.204,851 10.621,852 3.676,853 4.341,854 4.914,855 5.44,856 5.947,857 6.358,858 6.822,859 7.214,860 7.439,861 7.802,862 1,863 44,864 9.904,865 4.614,866 7.894,867 18.563,868 16.136,869 2.394,870 62.25,873 1,874 223.651,875 104.202,876 36.315,878 69.458,880 5.807,881 98.394,882 293.109,883 36.315,884 16.793,885 28.149,886 53.189,887 74.163,888 32.168,889 5.513,890 223.651,892 223.651,893 134.709,894 69.458,895 5.807,897 223.651,898 69.458,900 46.453,901 78.78,902 15.284,904 223.651,905 105.773,906 104.202,908 5.807,909 223.651,910 34.22,911 65.693,912 34.796,913 69.458,914 223.651,915 105.773,916 104.202,918 0.609,919 0.365,920 0.179,921 0.094,922 24,923 11,924 0.06,925 3,926 2,927 1.222,928 3.684,929 231.271,930 0.222,931 18,932 118.211,935 1,936 17.379,937 6.289,938 3.009,940 88.987,941 6.819,943 3.392,946 4.863,948 34.796,949 433.626,950 38.5,953 -3.555,954 37.232,955 1.811,957 0.265,960 47.316,961 52.78,962 0.301,963 0.682,964 0.826,965 0.879,966 0.895,967 0.895,968 4.968,969 1.532,970 5.927,971 4.71,972 4.489,973 5.027,974 1.27,975 6.838,976 4.426,977 6.235,978 1.368,979 7.566,980 4.312,981 4.369,982 5.215,984 8.12,985 4.239,986 7.613,987 1.135,988 9.318,989 2.974,990 6.232,991 7.375,992 1.27,993 11.195,994 6.084,995 9.034,996 0.799,997 11.139,998 2.735,999 6.919,1000 8.37,1002 13.306,1003 6.684,1004 10.493,1005 0.347,1006 13.005,1007 2.151,1008 8.337,1009 10.093,1010 1.34,1011 15.989,1012 8.076,1013 11.978,1014 0.003,1015 14.905,1016 0.86,1017 9.347,1018 11.404,1020 18.393,1021 9,1022 13.482,1023 -0.54,1024 16.829,1025 0.008,1026 10.622,1027 12.989,1028 1.423,1029 20.979,1030 10.233,1031 3.496,1032 -0.805,1033 18.772,1034 -1.478,1035 11.759,1036 14.427,1038 23.487,1039 11.289,1040 3.171,1041 13.305,1042 20.73,1043 -2,1044 12.99,1045 15.971,1046 1.51,1047 26.054,1048 12.465,1049 2.963,1050 10.969,1051 22.7,1052 4.764,1053 14.177,1054 17.463,1056 28.601,1057 13.575,1058 2.268,1059 9.468,1060 24.68,1061 4.133,1062 15.398,1063 18.998,1064 1.599,1065 31.17,1066 14.732,1067 2.035,1068 7.055,1069 26.668,1070 3.953,1071 16.607,1072 20.515,1074 33.734,1075 15.864,1076 1.784,1077 6.011,1078 28.662,1079 3.094,1080 17.829,1081 22.051,1082 1.69,1083 36.308,1084 17.016,1085 1.616,1086 5.469,1087 30.661,1088 2.575,1089 19.048,1090 23.583,1092 38.882,1093 18.159,1094 7315,1095 12080,1096 18.898,1097 31.881,1098 45.51,1099 46.963,1100 46.695,1101 45.083,1102 45.033,1103 58.463,1104 2.917,1105 140.055,1106 43.717,1107 5.869,1108 6.722,1109 7.302,1110 5.478,1111 5.496,1112 7.764,1113 2.117,1114 21.022,1115 5.236,1116 14.287,1117 1.569,1118 1.619,1119 1.61,1120 1.555,1121 1.553,1122 2.016,1123 0.101,1124 4.829,1125 1.507,1126 4.136,1127 4.146,1128 4.74,1129 4.101,1130 7.715,1131 4.05,1132 4.022,1133 4.04,1134 4.021,1135 3.937,1136 7.429,1137 3.919,1138 3.814,1139 3.818,1140 3.856,1141 3.717,1142 6.999,1143 3.668,1144 3.512,1145 3.576,1146 3.394,1147 3.388,1148 4.847,1149 3.373,1150 3.353,1151 3.41,1152 3.243,1153 3.171,1154 4.688,1155 3.177,1156 3.153,1157 3.174,1158 3.073,1159 2.974,1160 4.181,1161 2.939,1162 3.08,1163 3.168,1164 2.868,1165 2.912,1166 4.096,1167 2.889,1168 2.918,1169 3.009,1170 2.828,1171 2.701,1172 3.904,1173 2.713,1174 0.17,1175 0.163,1176 0.263,1177 0.152,1178 0.121,1179 4.927,1180 0.164,1181 4.722,1182 0.036,1183 7.62,1184 0.459,1185 4.421,1186 0.112,1187 3.496,1188 4.764,1189 1.058,1190 13.305,1191 3.236,1192 1.968,1193 1.978,1194 2.044,1195 2.029,1196 1.39,1197 2.067,1198 1.851,1199 1.807,1200 1.971,1201 1.983,1202 1.218,1203 2.005,1204 1.679,1205 1.664,1206 1.763,1207 1.824,1208 0.932,1209 1.83,1210 1.553,1211 1.522,1212 1.735,1213 1.763,1214 0.844,1215 1.762,1216 1.284,1217 1.244,1218 1.471,1219 1.535,1220 0.704,1221 1.503,1222 1.146,1223 1.096,1224 1.417,1225 1.341,1226 0.604,1227 1.381,1228 1.136,1229 1.077,1230 1.377,1231 1.325,1232 0.469,1233 1.354,1234 0.984,1235 0.908,1236 1.292,1237 1.239,1238 0.415,1239 1.308,1240 4.078,1242 5.46,1243 3.045,1244 7.027,1245 5.476,1246 8.674,1247 7.618,1248 10.362,1250 2.984,1256 4.462,1257 2.808,1261 1.168,1267 30.137,1268 78.607,1269 178.153,1270 215.556,1271 229.556,1272 233.556,1273 233.556,1274 52.81,1275 7.702,1276 86.03,1277 94.41,1278 22,1279 12.757,1280 4,1281 3.392,1282 37.957,1283 90,1284 82,1285 0.207,1286 186.462,1287 325.42,1288 446.728,1289 22837,1291 18.474,1292 0.711,1293 0.6,1294 18.724,1295 15.612,1296 12.358,1297 0.426,1298 0.349,1299 8.684,1300 11.107,1301 8.3,1302 6.886,1303 13.147,1304 10.108,1305 12.165,1306 0.276,1307 0.207,1308 13.568,1309 9.094,1310 10.488,1311 0.175,1312 0.113,1313 11.889,1314 6.799,1315 8.149,1316 0.106,1317 0.058,1318 8.832,1319 4.472,1320 6.585,1321 0.069,1322 0.033,1323 7.164,1324 3.123,1325 0.318,1326 85.152,1327 0.23,1328 24.721,1329 0.586,1330 146,1331 418.378,1332 198.266,1333 426.632,1334 581.89,1335 392,1336 177,1337 404.473,1338 233.824,1339 450.45,1340 661.36,1341 421,1342 7.699}
{0 CHEMBL607707,1 1.741,2 12.182,3 4.455,4 19.85,5 127.416,6 8.357,7 0.486,8 4.115,9 4.23,10 3.765,11 3.654,12 5.338,13 3.648,14 4.613,15 4.785,16 4.116,17 4.002,18 5.798,19 3.984,20 4.834,21 5.005,22 4.271,23 4.151,24 6.105,25 4.119,26 4.919,27 5.142,28 4.193,29 4.161,30 6.08,31 4.103,32 4.857,33 5.044,34 4.198,35 4.183,36 6.093,37 4.131,38 4.91,39 5.104,40 4.252,41 4.211,42 6.133,43 4.168,44 4.947,45 5.136,46 4.283,47 4.194,48 6.265,49 4.149,50 4.882,51 5.08,52 4.226,53 4.09,54 6.218,55 4.042,56 0.095,57 0.876,58 9.303,59 4.733,60 12.354,61 5.74,62 0.345,63 1.33,64 19.526,65 7.606,66 28.764,67 9.51,68 0.587,69 1.591,70 27.41,71 9.828,72 65.215,73 11.813,74 0.637,75 1.647,76 32.014,77 10.947,78 76.635,79 14.371,80 0.634,81 1.574,82 27.665,83 10.338,84 66.36,85 13.351,86 0.483,87 1.668,88 27.734,89 10.532,90 58.974,91 13.507,92 0.7,93 1.663,94 30.368,95 10.426,96 101.477,97 12.75,98 0.67,99 1.574,100 32.228,101 10.268,102 93.011,103 12.735,104 67,105 48,106 0.284,107 0.671,108 0.83,109 0.87,110 0.87,111 0.87,112 3.532,113 0.903,114 -3.5,115 -3.48,116 -3.32,118 42.9,119 1,123 2,124 2,132 2,138 5,139 2,140 6,141 1,142 1,151 2,163 3,167 8,170 1,172 6,173 4,177 4,180 1,182 5,184 4,187 2,188 3,191 2,193 2,195 8,199 2,200 4,203 2,204 1,205 2,208 8,213 8,216 1,221 8,224 1,225 6,228 2,230 3,233 4,236 2,237 7,242 3,245 4,248 1,249 4,254 1,257 2,260 2119,261 21.963,262 21.963,263 21.963,264 21.963,265 21.963,266 19.446,267 30.281,268 13.049,269 22.598,270 17.174,271 17.174,272 17.174,273 17.174,274 17.174,275 13.194,276 40.331,277 6.062,278 18.194,279 4.066,280 1.687,281 0.712,282 0.469,283 0.469,284 0.469,285 4.212,286 1,288 1,289 1,290 829,291 4.301,294 289.302,298 157.841,301 1.785,302 41.916,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 72.333,314 402,315 4.64,316 4.073,317 6.741,318 4.181,319 3.204,320 4.576,321 2.035,322 11.049,323 3.129,324 4.225,325 3.496,326 6.166,327 3.794,328 2.852,329 3.874,330 1.058,331 9.164,332 2.698,333 4.133,334 3.314,335 5.948,336 3.697,337 2.758,338 3.661,339 0.916,340 8.312,341 2.554,342 3.79,343 3.222,344 5.636,345 3.362,346 2.373,347 3.133,348 0.86,349 7.336,350 2.344,351 3.629,352 2.951,353 5.197,354 3.169,355 2.232,356 2.896,357 0.4,358 6.356,359 2.102,360 3.531,361 2.644,362 5.063,363 3.088,364 2.152,365 2.817,366 0.172,367 6.092,368 1.986,369 3.302,370 2.462,371 4.805,372 3.062,373 2.103,374 2.6,376 5.264,377 1.979,378 3.216,379 2.23,380 4.641,381 2.775,382 1.811,383 2.238,385 5.09,386 1.738,387 3.003,388 2.115,389 4.27,390 2.358,391 1.439,392 1.949,394 3.788,395 1.312,396 2.82,397 2.053,398 4.041,399 2.318,400 1.414,401 1.764,403 3.521,404 1.217,405 2.711,406 1.721,407 3.566,408 2.003,409 1.024,410 1.356,411 2.181,412 0.996,413 2.525,414 1.509,415 3.196,416 1.911,417 0.965,418 1.257,419 1.909,420 0.904,421 2.158,422 1.241,423 3.179,424 1.681,425 0.745,426 1.114,427 1.534,428 0.695,429 1.713,430 0.89,431 2.861,432 1.281,433 0.354,434 0.451,435 0.714,436 0.32,437 1.45,438 0.665,439 2.767,440 1.046,441 0.153,442 0.184,443 0.348,444 0.127,445 15.667,446 0.475,447 0.856,448 0.026,449 44.75,450 1.356,451 23.5,452 0.712,453 21.25,454 0.644,455 27.481,456 0.833,457 35.333,458 0.631,459 38.803,460 1.176,461 9.092,462 0.276,463 6.724,464 0.204,465 0.206,467 0.345,470 1,471 0.707,472 1.222,473 0.629,474 1.027,475 0.541,476 0.918,477 0.892,478 1.007,479 0.686,480 0.817,481 0.547,482 0.778,483 1.062,484 1.168,485 0.918,486 1.046,487 0.849,488 0.996,489 0.816,490 0.834,491 0.77,492 0.847,493 0.789,494 0.843,495 0.668,496 0.758,497 0.846,498 0.943,499 0.803,500 0.952,501 0.873,502 0.988,503 0.739,504 0.938,505 0.873,506 0.925,507 1.191,508 0.946,509 0.965,510 0.905,511 1.352,512 0.966,513 1.144,514 1.097,515 1.061,516 1.052,517 1.132,518 0.999,519 7.5,520 0.272,521 3.778,522 2.063,523 2.342,524 1.236,525 1.011,526 0.785,527 0.587,528 0.318,529 13567,530 45041,531 1.976,532 41.1,534 17,536 1,537 2,539 3,542 1.759,543 1.817,544 3.544,545 0.222,547 1,550 97.521,551 1.741,552 4.12,553 5.095,554 5.338,555 5.338,556 5.338,557 3.052,558 4.923,559 5.008,560 3.722,561 1965.4,562 8.815,563 29265.6,568 325.212,569 1.52,570 4.954,571 0.214,572 0.009,573 0.079,574 0.04,575 0.047,576 0.024,577 0.019,578 0.015,579 0.013,580 0.008,581 0.467,582 0.33,583 0.88,584 1.798,585 174.212,586 -0.056,587 -0.156,588 0.017,589 -0.064,590 -0.033,591 -0.012,592 -0.058,593 -0.003,594 0.097,595 0.129,596 0.047,597 0.15,598 -0.044,599 -0.138,600 -0.014,601 -0.075,602 0.005,603 -0.062,604 0.033,605 0.093,606 0.11,607 0.112,609 0.141,610 0.123,611 0.131,612 -0.014,613 0.018,614 0.005,615 0.009,616 -0.056,617 -0.062,618 0.042,619 0.008,620 -0.04,621 0.03,622 -0.142,623 -0.031,624 -0.055,625 0.029,626 -0.15,627 -0.045,628 -0.031,629 -0.134,630 0.007,631 -0.071,632 0.017,633 -0.041,634 2.212,635 5.576,636 0.485,637 38.123,638 1.015,639 1.131,640 2.274,641 5.171,642 0.685,643 3.584,644 3.892,645 4.127,646 4.382,647 4.673,648 4.812,649 4.963,650 5.136,651 5.242,652 5.231,653 7.18,654 0.661,655 467.97,656 3.584,657 5.118,658 5.953,659 6.828,660 7.692,661 8.577,662 9.456,663 10.348,664 11.236,665 12.132,666 8.9,669 1,673 1,674 1,675 1,676 1,680 2,681 6,682 1,686 7,688 17,689 1,699 1,703 1,704 2,705 56,706 20,707 2,708 35,710 58,711 24,712 15,713 7,714 5,715 3,717 3,718 4,719 1,721 1,728 1,729 18,730 5,733 2,737 1,738 2,740 1,744 1,745 1,747 23,748 8,749 2,750 9,751 1,755 5,760 0.667,761 2,773 1,779 3,783 1,790 1,795 2,800 1,803 2,807 3,808 1,809 1,811 33,817 2,818 2,819 1,822 1,825 1,829 1,831 1,832 2,833 3.6,836 1,838 1,841 18.167,842 11.136,843 7.472,844 3.252,847 3.688,848 1.477,849 0.963,850 8.24,851 11.426,852 3.882,853 4.466,854 5.058,855 5.659,856 6.292,857 6.701,858 7.153,859 7.631,860 8.061,861 8.264,862 1,863 52,864 12.176,865 5.094,866 8.008,867 22.506,868 17.572,869 2.508,870 82.778,874 247.193,875 163.042,876 86.991,877 39.149,878 36.145,879 14.96,881 163.042,882 322.487,883 101.951,884 25.618,885 24.709,886 66.334,887 75.008,888 106.28,889 14.96,890 235.422,891 39.149,892 247.193,893 250.032,894 51.105,895 39.149,897 226.84,898 71.458,900 96.92,901 117.374,902 74.887,904 262.153,905 123.136,906 202.19,909 247.193,910 45.441,911 104.123,912 52.623,913 138.098,914 247.193,915 138.096,916 202.19,918 0.572,919 0.324,920 0.171,921 0.101,922 20,923 11,924 0.138,925 8,926 1,927 1.125,928 4.201,929 298.779,930 0.125,931 16,932 162.465,936 24.473,937 11.111,938 6.206,939 1.125,940 138.096,941 9.007,942 4.357,946 1.51,948 36.022,949 587.479,950 47.5,954 12.449,955 3.195,957 -0.318,960 56.836,961 63.346,962 0.3,963 0.71,964 0.877,965 0.919,966 0.919,967 0.919,968 5.119,969 1.811,970 5.943,971 5.264,972 4.575,973 5.153,974 2.696,975 6.744,976 4.47,977 6.345,978 1.439,979 7.499,980 5.09,981 4.205,982 5.037,983 0.325,984 7.636,985 4.04,986 7.658,987 1.414,988 9.154,989 3.788,990 6.159,991 7.392,992 3.686,993 10.725,994 5.976,995 9.005,996 1.024,997 10.865,998 3.521,999 6.567,1000 8.09,1001 0.393,1002 12.433,1003 6.33,1004 10.382,1005 0.965,1006 12.613,1007 2.181,1008 8.017,1009 9.942,1010 4.992,1011 15.062,1012 7.766,1013 11.781,1014 0.745,1015 14.387,1016 1.909,1017 8.794,1018 11.038,1019 0.384,1020 17.137,1021 8.499,1022 13.199,1023 0.354,1024 16.18,1025 1.534,1026 10.044,1027 12.683,1028 6.385,1029 19.603,1030 9.734,1031 3.204,1032 0.153,1033 17.989,1034 0.714,1035 11.005,1036 13.983,1037 0.351,1038 21.848,1039 10.661,1040 2.852,1041 11.049,1042 19.81,1043 0.348,1044 12.176,1045 15.541,1046 7.799,1047 24.258,1048 11.815,1049 2.758,1050 9.164,1051 21.642,1052 4.576,1053 13.228,1054 16.946,1055 0.312,1056 26.582,1057 12.842,1058 2.373,1059 8.312,1060 23.483,1061 3.874,1062 14.371,1063 18.469,1064 9.218,1065 28.976,1066 13.968,1067 2.232,1068 7.336,1069 25.331,1070 3.661,1071 15.468,1072 19.926,1073 0.273,1074 31.337,1075 15.044,1076 2.152,1077 6.356,1078 27.186,1079 3.133,1080 16.606,1081 21.438,1082 10.638,1083 33.728,1084 16.164,1085 2.103,1086 6.092,1087 29.047,1088 2.896,1089 17.726,1090 22.923,1091 0.236,1092 36.107,1093 17.266,1094 13649,1095 25112,1096 22.482,1097 38.347,1098 52.977,1099 56.136,1100 53.867,1101 51.253,1102 51.16,1103 67.74,1104 10.884,1105 145.316,1106 48.201,1107 5.46,1108 6.073,1109 6.503,1110 5.222,1111 5.204,1112 7.576,1113 4.069,1114 18.277,1115 5.129,1116 20.822,1117 1.514,1118 1.604,1119 1.539,1120 1.464,1121 1.462,1122 1.935,1123 0.311,1124 4.152,1125 1.377,1126 4.104,1127 4.129,1128 4.093,1129 4.023,1130 8.201,1131 4.034,1132 3.89,1133 3.912,1134 3.987,1135 3.821,1136 7.43,1137 3.821,1138 3.754,1139 3.812,1140 3.676,1141 3.595,1142 6.82,1143 3.605,1144 3.609,1145 3.655,1146 3.546,1147 3.461,1148 5.001,1149 3.475,1150 3.479,1151 3.546,1152 3.349,1153 3.25,1154 4.857,1155 3.25,1156 3.388,1157 3.448,1158 3.326,1159 3.205,1160 4.608,1161 3.209,1162 3.12,1163 3.191,1164 3.244,1165 2.927,1166 4.421,1167 2.944,1168 3.088,1169 3.155,1170 3.019,1171 2.884,1172 4.368,1173 2.909,1174 0.133,1175 0.116,1176 0.193,1177 0.119,1178 0.092,1179 4.64,1180 0.131,1181 4.073,1182 0.058,1183 6.741,1184 0.316,1185 4.181,1186 0.089,1187 3.204,1188 4.576,1189 2.035,1190 11.049,1191 3.129,1192 2.044,1193 2.024,1194 2.09,1195 2.14,1196 1.241,1197 2.127,1198 1.856,1199 1.836,1200 1.928,1201 1.952,1202 1.048,1203 1.951,1204 1.702,1205 1.652,1206 1.903,1207 1.903,1208 1.035,1209 1.908,1210 1.553,1211 1.515,1212 1.799,1213 1.76,1214 0.936,1215 1.765,1216 1.438,1217 1.363,1218 1.673,1219 1.69,1220 0.708,1221 1.689,1222 1.371,1223 1.305,1224 1.557,1225 1.543,1226 0.633,1227 1.554,1228 1.052,1229 0.99,1230 1.417,1231 1.3,1232 0.469,1233 1.308,1234 0.993,1235 0.938,1236 1.258,1237 1.248,1238 0.311,1239 1.293,1240 4.263,1242 5.572,1244 7.074,1246 8.676,1248 10.338,1250 5.646,1251 5.905,1252 13.576,1256 1.007,1257 5.955,1258 5.701,1261 1.931,1265 9.626,1266 2.106,1267 37.015,1268 97.521,1269 230.742,1270 285.338,1271 298.947,1272 298.947,1273 298.947,1274 85.645,1275 7.738,1276 90.28,1277 90.28,1278 18,1279 12.659,1280 4.392,1281 3.755,1282 63.824,1283 137,1284 165,1285 0.223,1286 235.173,1287 416.16,1288 565.581,1289 23568,1290 3.6,1291 23.957,1292 0.726,1293 0.582,1294 23.587,1295 19.203,1296 15.816,1297 0.452,1298 0.301,1299 10.019,1300 14.844,1301 9.668,1302 8.091,1303 15.694,1304 10.538,1305 14.149,1306 0.295,1307 0.162,1308 14.061,1309 7.772,1310 11.196,1311 0.184,1312 0.08,1313 10.796,1314 4.866,1315 8.993,1316 0.114,1317 0.041,1318 9.163,1319 3.256,1320 7.536,1321 0.071,1322 0.021,1323 7.446,1324 2.187,1325 0.347,1326 102.829,1327 0.211,1328 30.485,1329 0.624,1330 166,1331 591.387,1332 199.045,1333 578.63,1334 759.47,1335 536,1336 192,1337 518.076,1338 222.203,1339 532.639,1340 771.75,1341 497,1342 5.959}
{0 CHEMBL608154,1 1.716,2 8.731,3 2.737,4 7.493,5 98.273,6 8.947,7 0.724,8 3.849,9 3.95,10 3.571,11 3.435,12 5.058,13 3.438,14 4.334,15 4.472,16 3.963,17 3.819,18 5.516,19 3.813,20 4.508,21 4.644,22 4.123,23 3.947,24 5.74,25 3.933,26 4.608,27 4.76,28 4.124,29 3.954,30 5.859,31 3.923,32 4.66,33 4.842,34 4.045,35 3.912,36 5.908,37 3.857,38 4.542,39 4.731,40 4.015,41 3.825,42 5.792,43 3.79,44 4.455,45 4.606,46 3.916,47 3.776,48 5.711,49 3.739,50 4.424,51 4.589,52 3.766,53 3.745,54 5.642,55 3.67,56 0.082,57 0.605,58 5.726,59 3.248,60 6.403,61 3.636,62 0.262,63 0.945,64 12.328,65 5.532,66 21.856,67 6.314,68 0.387,69 1.117,70 16.022,71 6.569,72 29.763,73 7.388,74 0.43,75 1.191,76 17.437,77 7.243,78 35.698,79 8.18,80 0.648,81 1.141,82 26.997,83 8.34,84 64.551,85 9.432,86 0.457,87 1.034,88 23.227,89 7.658,90 51.68,91 8.973,92 0.497,93 0.939,94 18.891,95 6.735,96 47.237,97 7.318,98 0.411,99 0.94,100 16.736,101 6.487,102 39.202,103 7.245,104 18,105 42,106 0.296,107 0.689,108 0.814,109 0.876,110 0.885,111 0.885,112 3.306,113 0.861,114 -2.77,115 -2.78,116 -2.7,118 46.3,119 1,123 1,138 4,139 3,140 3,141 3,142 1,148 2,151 1,163 5,167 5,170 1,172 3,173 5,177 5,180 2,181 1,182 4,184 3,187 1,188 4,191 2,193 5,195 2,199 1,200 4,203 1,205 3,208 2,213 5,216 1,218 1,221 4,224 2,225 5,228 1,230 2,233 6,236 1,237 4,245 7,249 2,257 2,260 1004,261 17.715,262 17.715,263 17.715,264 17.715,265 17.715,266 15.084,267 12.855,268 10.253,269 18.205,270 14.237,271 14.237,272 14.237,273 14.237,274 14.237,275 10.213,276 14.608,277 4.739,278 14.966,279 3.642,280 1.364,281 0.641,282 0.281,283 0.232,284 0.232,285 4.001,286 1,287 1,288 1,289 1,290 496,291 3.082,293 38.409,294 183.441,297 156.923,301 1.157,302 27.105,304 1,305 1,306 1,307 1,308 0.4,310 1,311 1,312 0.77,313 56.333,314 227,315 4.798,316 3.634,317 6.976,318 4.308,319 3.339,320 4.884,321 1.058,322 11.883,323 3.235,324 4.331,325 3.431,326 6.444,327 3.955,328 2.963,329 3.967,330 0.86,331 9.902,332 2.937,333 4.214,334 3.037,335 6.347,336 3.758,337 2.809,338 3.879,340 9.501,341 2.655,342 3.599,343 2.655,344 5.638,345 3.132,346 2.216,347 3.025,349 7.095,350 1.999,351 3.486,352 2.477,353 5.282,354 3.004,355 2.035,356 2.905,358 6.318,359 1.953,360 3.332,361 2.149,362 4.885,363 2.856,364 1.883,365 2.601,367 5.244,368 1.808,369 2.972,370 1.757,371 4.503,372 2.451,373 1.505,374 2.189,376 4.148,377 1.408,378 2.861,379 1.514,380 3.884,381 2.403,382 1.414,383 2.015,385 3.084,386 1.398,387 2.754,388 1.511,389 3.643,390 2.224,391 1.305,392 1.867,394 2.929,395 1.188,396 2.557,397 1.31,398 3.597,399 2.046,400 1.099,401 1.532,403 2.72,404 1.029,405 2.101,406 1.224,407 3.481,408 1.66,409 0.791,410 0.965,411 1.722,412 0.659,413 1.94,414 0.796,415 3.415,416 1.539,417 0.598,418 0.809,419 1.496,420 0.552,421 1.216,422 0.609,423 2.722,424 0.844,425 -0.087,426 -0.104,427 -0.169,428 -0.08,429 1.092,430 0.176,431 2.569,432 0.706,433 -0.288,434 -0.37,435 -0.605,436 -0.226,437 0.965,438 0.042,439 2.438,440 0.502,441 -0.327,442 -0.414,443 -0.753,444 -0.284,445 12.481,446 0.48,447 0.661,448 0.025,449 38,450 1.462,451 20.5,452 0.788,453 17.5,454 0.673,455 19.23,456 0.74,457 26.519,458 0.647,459 28.173,460 1.084,461 7.675,462 0.295,463 4.922,464 0.189,465 0.164,467 0.401,471 0.784,472 1.223,473 0.569,474 0.891,475 0.607,476 0.793,477 0.943,478 1.061,479 0.624,480 0.745,481 0.679,482 0.708,483 0.882,484 1.069,485 0.86,486 0.995,487 0.926,488 0.929,489 1.053,490 1.214,491 0.914,492 1.101,493 1.086,494 1.088,495 1.345,496 0.932,497 1.338,498 1.024,499 1.589,500 1.006,501 1.143,502 0.887,503 0.994,504 0.913,505 1.24,506 0.816,507 1.381,508 0.915,509 1.157,510 1.009,511 1.423,512 1.004,513 1.232,514 1.114,515 1.181,516 1.147,517 1.097,518 1.231,519 4.5,520 0.035,521 3.556,522 2.576,523 1.675,524 1.198,525 0.733,526 0.476,527 0.334,528 0.085,529 7175,530 22170,531 2.101,532 36.6,534 7,536 3,537 2,538 3,542 1.698,543 1.95,544 3.101,545 0.289,546 1,547 1,550 70.346,551 1.716,552 3.994,553 4.717,554 5.077,555 5.126,556 5.126,557 2.459,558 4.47,559 4.674,560 3.241,561 1053.27,562 8.139,563 12656.3,564 1,565 1,567 1,568 219.66,569 1.46,570 4.624,571 0.155,572 0.004,573 0.085,574 0.056,575 0.039,576 0.032,577 0.019,578 0.014,579 0.012,580 0.006,581 0.421,582 0.5,583 1,584 0.777,585 123.913,586 -0.086,587 -0.122,588 0.015,589 -0.022,590 -0.077,591 0.021,592 -0.063,593 -0.006,594 0.092,595 0.161,596 -0.006,597 0.164,598 0.065,599 -0.006,600 -0.016,601 -0.085,602 -0.028,603 -0.068,605 -0.178,606 -0.05,607 -0.184,608 -0.003,609 -0.207,610 -0.072,611 0.022,612 -0.125,613 -0.02,614 -0.109,615 -0.04,616 -0.003,617 0.059,618 0.137,619 0.095,620 0.091,621 0.177,622 -0.073,623 0.04,624 -0.115,625 -0.029,626 -0.111,627 -0.082,628 -0.159,629 -0.143,630 -0.229,631 -0.182,632 -0.087,633 -0.296,634 1.95,635 5.797,636 0.731,637 19.509,638 1.017,639 1.118,640 1.536,641 2.358,642 0.716,643 3.401,644 3.761,645 4.111,646 4.431,647 4.682,648 4.828,649 5.011,650 5.159,651 5.13,652 5.176,653 5.391,654 0.695,655 366.83,656 3.401,657 4.963,658 5.849,659 6.758,660 7.664,661 8.582,662 9.497,663 10.419,664 11.339,665 12.264,666 9.8,673 1,674 1,676 2,680 4,681 7,682 2,683 1,686 5,688 21,694 1,703 1,704 1,705 41,706 22,707 1,708 29,710 44,711 19,712 16,713 5,714 1,715 1,717 4,718 7,719 1,721 1,729 17,730 2,733 1,737 1,740 1,743 1,744 1,747 15,748 5,749 2,750 7,751 1,755 4,760 0.5,761 2,773 2,775 1,778 1,779 3,782 2,803 2,807 2,808 1,811 26,818 1,819 1,832 1,833 4.9,836 1,838 1,841 13.333,842 8.21,843 5.722,844 2.286,847 4.267,848 1.558,849 1.03,850 4.267,851 11.911,852 3.726,853 4.428,854 5.134,855 5.827,856 6.454,857 6.898,858 7.417,859 7.907,860 8.148,861 8.49,862 0.833,863 46,864 9.568,865 4.133,866 7.818,867 17.935,868 14.685,869 2.318,870 60.278,873 1,874 153.024,875 116.337,876 68.367,877 39.149,878 36.145,881 116.337,882 228.318,883 68.367,884 19.708,885 18.011,886 37.905,887 98.734,888 77.517,889 4.288,890 117.711,891 39.149,892 153.024,893 184.705,894 36.145,895 39.149,897 153.024,898 36.145,900 73.52,901 77.613,902 72.72,904 153.024,905 104.512,906 155.486,909 153.024,910 31.582,911 84.756,912 34.796,913 108.865,914 153.024,915 104.512,916 155.486,918 0.585,919 0.365,920 0.209,921 0.111,922 22,923 10,924 0.068,925 3,926 2,927 1.211,928 3.644,929 234.873,930 0.211,931 19,932 122.211,936 16.824,937 6.595,938 2.828,939 3.419,940 87.727,941 12.252,942 8.297,943 3.288,946 2.424,948 34.796,949 413.023,950 40.5,954 12.797,957 -0.283,960 41.687,961 45.847,962 0.32,963 0.745,964 0.88,965 0.948,966 0.957,967 0.957,968 4.965,969 1.414,970 5.855,971 4.148,972 4.443,973 5.115,974 1.552,975 6.737,976 4.353,977 6.216,978 1.305,979 7.459,980 3.084,981 4.111,982 5.085,984 7.774,985 3.994,986 7.561,987 1.099,988 9.166,989 2.929,990 6.098,991 7.48,992 1.527,993 10.93,994 5.95,995 8.947,996 0.791,997 10.933,998 2.72,999 6.608,1000 8.306,1002 12.797,1003 6.438,1004 10.368,1005 0.598,1006 12.738,1007 1.722,1008 8.074,1009 10.182,1010 1.53,1011 15.476,1012 7.877,1013 11.814,1014 -0.087,1015 14.569,1016 1.496,1017 8.96,1018 11.408,1020 17.676,1021 8.74,1022 13.28,1023 -0.288,1024 16.418,1025 -0.169,1026 10.233,1027 13.085,1028 1.557,1029 20.199,1030 9.988,1031 3.339,1032 -0.327,1033 18.28,1034 -0.605,1035 11.284,1036 14.5,1038 22.54,1039 11.014,1040 2.963,1041 11.883,1042 20.153,1043 -0.753,1044 12.488,1045 16.102,1046 1.603,1047 25.013,1048 12.192,1049 2.809,1050 9.902,1051 22.034,1052 4.884,1053 13.611,1054 17.604,1056 27.417,1057 13.287,1058 2.216,1059 9.501,1060 23.921,1061 3.967,1062 14.794,1063 19.184,1064 1.663,1065 29.876,1066 14.443,1067 2.035,1068 7.095,1069 25.814,1070 3.879,1071 15.949,1072 20.726,1074 32.311,1075 15.57,1076 1.883,1077 6.318,1078 27.712,1079 3.025,1080 17.13,1081 22.301,1082 1.734,1083 34.77,1084 16.721,1085 1.505,1086 5.244,1087 29.614,1088 2.905,1089 18.301,1090 23.863,1092 37.22,1093 17.863,1094 6867,1095 12194,1096 19.304,1097 29.358,1098 44.37,1099 45.785,1100 46.677,1101 43.997,1102 43.916,1103 61.276,1104 3.837,1105 132.083,1106 41.641,1107 5.642,1108 5.634,1109 6.661,1110 5.348,1111 5.339,1112 7.884,1113 2.117,1114 19.555,1115 5.235,1116 12.522,1117 1.53,1118 1.579,1119 1.61,1120 1.517,1121 1.514,1122 2.113,1123 0.132,1124 4.555,1125 1.436,1126 4.216,1127 4.243,1128 4.223,1129 4.132,1130 7.429,1131 4.143,1132 3.912,1133 3.947,1134 3.867,1135 3.806,1136 5.124,1137 3.816,1138 3.694,1139 3.721,1140 3.806,1141 3.584,1142 4.87,1143 3.593,1144 3.305,1145 3.349,1146 3.407,1147 3.09,1148 4.856,1149 3.114,1150 3.272,1151 3.328,1152 3.202,1153 3.036,1154 4.499,1155 3.053,1156 3.167,1157 3.255,1158 3.078,1159 2.995,1160 4.439,1161 2.984,1162 3.133,1163 3.204,1164 2.954,1165 2.905,1166 3.944,1167 2.913,1168 2.856,1169 2.91,1170 2.875,1171 2.713,1172 3.916,1173 2.704,1174 0.165,1175 0.125,1176 0.241,1177 0.149,1178 0.115,1179 4.798,1180 0.168,1181 3.634,1182 0.036,1183 6.976,1184 0.41,1185 4.308,1186 0.112,1187 3.339,1188 4.884,1189 1.058,1190 11.883,1191 3.235,1192 1.97,1193 1.958,1194 2.014,1195 2.053,1196 1.208,1197 2.042,1198 1.872,1199 1.84,1200 1.971,1201 2.004,1202 1.042,1203 1.994,1204 1.811,1205 1.775,1206 1.886,1207 1.959,1208 0.976,1209 1.947,1210 1.229,1211 1.171,1212 1.573,1213 1.54,1214 0.603,1215 1.547,1216 1.214,1217 1.154,1218 1.552,1219 1.452,1220 0.578,1221 1.47,1222 1.161,1223 1.1,1224 1.302,1225 1.418,1226 0.333,1227 1.406,1228 1.079,1229 1.011,1230 1.275,1231 1.31,1232 0.276,1233 1.314,1234 0.815,1235 0.768,1236 1.003,1237 0.997,1238 0.07,1239 1,1240 4.078,1242 5.425,1243 2.398,1244 6.984,1245 4.844,1246 8.641,1247 7.066,1248 10.349,1250 3.302,1251 6.408,1257 2.923,1258 5.449,1267 28.504,1268 70.346,1269 163.743,1270 193.395,1271 208.15,1272 210.15,1273 210.15,1274 41.403,1275 7.644,1276 79.9,1277 79.9,1278 23,1279 12.77,1280 4.524,1281 3.644,1282 37.718,1283 81,1284 84,1285 0.224,1286 177.68,1287 294.61,1288 425.299,1289 20893,1290 2.4,1291 18.259,1292 0.702,1293 0.573,1294 18.759,1295 14.886,1296 12.597,1297 0.434,1298 0.287,1299 7.855,1300 11.825,1301 7.591,1302 6.302,1303 12.885,1304 8.325,1305 11.359,1306 0.27,1307 0.148,1308 11.73,1309 6.233,1310 10.141,1311 0.169,1312 0.076,1313 10.473,1314 4.58,1315 8.969,1316 0.108,1317 0.04,1318 9.347,1319 3.343,1320 7.134,1321 0.067,1322 0.02,1323 7.419,1324 2.173,1325 0.338,1326 82.218,1327 0.228,1328 24.403,1329 0.661,1330 142,1331 441.63,1332 169.828,1333 457.514,1334 621.89,1335 428,1336 173,1337 440.129,1338 198.778,1339 458.271,1340 675.07,1341 430,1342 5}
{0 CHEMBL77638,1 1.652,2 16.051,3 2.481,4 6.154,5 144.027,6 7.488,7 0.293,8 4.391,9 4.506,10 4.055,11 3.898,12 5.493,13 3.862,14 4.958,15 5.112,16 4.326,17 4.277,18 6.332,19 4.217,20 5.263,21 5.473,22 4.335,23 4.443,24 6.322,25 4.349,26 5.326,27 5.553,28 4.373,29 4.46,30 6.432,31 4.354,32 5.329,33 5.551,34 4.383,35 4.438,36 6.542,37 4.356,38 5.314,39 5.53,40 4.328,41 4.431,42 6.485,43 4.352,44 5.297,45 5.516,46 4.307,47 4.462,48 6.4,49 4.358,50 5.34,51 5.569,52 4.303,53 4.45,54 6.527,55 4.325,56 0.269,57 1.043,58 19.879,59 7.743,60 41.88,61 9.097,62 0.984,63 1.62,64 32.52,65 12.732,66 141.228,67 16.196,68 0.859,69 2.03,70 45.428,71 15.996,72 125.35,73 21.011,74 0.933,75 2.104,76 51.105,77 17.381,78 124.435,79 22.744,80 1.001,81 2.09,82 50.91,83 16.616,84 162.122,85 22.061,86 1.076,87 2.081,88 48.247,89 15.445,90 157.294,91 20.94,92 0.851,93 2.094,94 48.305,95 16.711,96 131.846,97 22.133,98 1.191,99 2.105,100 51.552,101 17.162,102 198.749,103 23.332,104 95,105 57,106 0.256,107 0.591,108 0.767,109 0.837,110 0.864,111 0.864,112 3.693,113 1.055,114 -3.53,115 -3.5,116 -3.34,118 36,119 2,120 6,121 1,124 1,126 2,138 7,139 3,140 2,151 3,156 1,157 1,158 1,160 2,162 2,163 15,166 1,167 7,169 1,170 7,171 1,172 5,173 17,175 1,177 8,180 1,181 1,182 5,184 11,185 2,186 1,187 1,188 12,190 1,191 1,193 11,195 5,196 2,197 2,199 1,200 11,203 1,205 12,208 9,209 1,211 1,213 10,216 2,217 1,218 8,220 1,221 15,222 1,223 2,225 7,228 1,230 6,233 20,235 2,236 3,237 4,239 1,240 2,242 3,243 1,245 17,247 2,248 1,249 6,250 1,252 3,253 3,254 4,255 1,256 1,257 13,259 2,260 3364,261 25.101,262 25.101,263 25.101,264 25.101,265 25.101,266 22.989,267 25.676,268 14.833,269 25.301,270 20.254,271 20.254,272 20.254,273 20.254,274 20.254,275 16.896,276 26.198,277 7.102,278 20.584,279 4.577,280 2.423,281 1.289,282 0.834,283 0.66,284 0.66,285 4.368,290 1298,291 5.477,294 491.428,301 2.422,302 63.043,305 0.25,306 0.33,307 0.33,308 0.7,309 1,310 0.17,312 0.4,313 87.167,314 626,315 4.418,316 3.774,317 6.458,318 4.127,319 3.139,320 4.027,321 1.971,322 10.195,323 3.1,324 4.39,325 3.561,326 6.455,327 4.035,328 3.049,329 3.813,330 1.892,331 9.977,332 3.004,333 4.084,334 3.483,335 6.137,336 3.863,337 2.876,338 3.55,339 0.98,340 9,341 2.833,342 3.928,343 3.228,344 5.907,345 3.605,346 2.623,347 3.211,348 0.86,349 8.196,350 2.576,351 3.772,352 3.046,353 5.411,354 3.503,355 2.513,356 3.037,357 0.577,358 7.115,359 2.488,360 3.529,361 2.847,362 5.347,363 3.467,364 2.476,365 2.67,366 0.234,367 6.972,368 2.447,369 3.465,370 2.763,371 5.044,372 3.103,373 2.084,374 2.621,376 6.098,377 2.112,378 3.388,379 2.474,380 4.898,381 3.011,382 2.029,383 2.583,385 5.291,386 1.974,387 3.304,388 2.4,389 4.688,390 2.937,391 1.962,392 2.442,394 5.14,395 1.894,396 2.64,397 1.925,398 4.241,399 2.499,400 1.513,401 1.646,403 3.865,404 1.489,405 2.532,406 1.743,407 3.715,408 2.372,409 1.399,410 1.5,411 3.14,412 1.353,413 2.5,414 1.471,415 3.629,416 2.017,417 1,418 1.495,419 2.487,420 1.01,421 2.499,422 1.338,423 3.593,424 2,425 1,426 1.475,427 2.39,428 1,429 2.302,430 1.018,431 3.414,432 2,433 1,434 1.17,435 2.275,436 1,437 2,438 1,439 3.247,440 1.983,441 0.975,442 1,443 2.136,444 0.971,445 18.367,446 0.471,447 1.264,448 0.032,449 43.25,450 1.109,451 19,452 0.487,453 24.25,454 0.622,455 42.379,456 1.087,457 45.233,458 0.603,459 40.747,460 1.045,461 8.051,462 0.206,463 10.357,464 0.266,465 0.185,466 0.054,467 0.299,471 0.93,472 1.325,473 0.834,474 1.438,475 0.788,476 1.042,477 0.445,478 1.191,479 0.839,480 1.092,481 0.345,482 1.09,483 0.965,484 1.028,485 0.912,486 0.868,487 0.841,488 1.04,489 0.848,490 1.09,491 0.896,492 0.977,493 0.724,494 1.007,495 0.949,496 1.1,497 0.879,498 0.921,499 0.913,500 0.966,501 1.087,502 0.955,503 0.931,504 0.767,505 1.139,506 0.986,507 0.894,508 1.071,509 0.97,510 0.968,511 0.955,512 1.07,513 0.765,514 1.067,515 0.92,516 0.959,517 0.917,518 1.092,519 10.5,520 0.442,521 4,522 2.375,523 2.507,524 1.611,525 1.036,526 0.819,527 0.657,528 0.444,529 24711,530 75575,531 1.945,532 48,533 10,534 11,537 6,538 3,539 6,542 1.794,543 1.779,544 3.909,545 3.017,550 123.907,551 1.652,552 3.806,553 4.94,554 5.395,555 5.569,556 5.569,557 3.371,558 4.49,559 5.252,560 4.137,561 3065.84,562 9.265,563 54607.5,568 467.161,569 1.654,570 5.183,571 0.256,572 0.01,573 0.07,574 0.042,575 0.044,576 0.027,577 0.018,578 0.015,579 0.013,580 0.009,581 0.505,582 0.17,583 0.63,584 1.128,585 221.854,586 -0.194,587 -0.011,588 0.162,589 -0.107,590 -0.15,591 0.047,592 0.402,593 -0.045,594 0.039,595 -0.066,596 0.362,597 -0.056,598 -0.1,599 0.01,600 -0.056,601 0.01,602 -0.074,603 -0.043,604 -0.002,605 -0.085,606 0.026,607 -0.032,608 0.024,609 -0.003,610 -0.03,611 -0.103,612 0.025,613 -0.026,614 0.026,615 0.021,616 -0.135,617 0.069,618 -0.086,619 0.034,620 -0.131,621 -0.024,622 -0.084,623 -0.035,624 -0.091,625 -0.053,626 -0.096,627 -0.065,628 0.07,629 -0.076,630 -0.029,631 -0.059,632 0.01,633 -0.09,634 5.497,635 6.115,636 0.462,637 55.161,638 1.012,639 1.133,640 2.296,641 5.27,642 0.644,643 3.738,644 4.06,645 4.19,646 4.407,647 4.605,648 4.595,649 4.718,650 4.779,651 4.836,652 4.875,653 9.273,654 0.609,655 561.63,656 3.738,657 5.283,658 6.089,659 6.957,660 7.784,661 8.651,662 9.487,663 10.354,664 11.196,665 12.062,666 4,673 3,681 7,686 5,688 12,693 1,703 1,705 75,706 16,707 2,708 41,710 77,711 27,712 12,713 5,714 7,715 1,717 3,718 3,721 2,724 5,725 1,727 8,729 15,730 12,731 1,733 4,737 4,740 3,742 1,747 36,748 11,749 6,750 12,751 1,755 3,760 1,761 8,767 1,768 1,779 3,790 2,801 2,803 3,807 2,811 39,812 1,816 2,817 7,818 2,819 2,821 3,833 10.7,834 2,836 4,838 2,841 21.917,842 13.267,843 8.486,844 4.48,845 1,847 2.114,848 1.276,849 0.923,850 11.254,851 9.782,852 3.951,853 4.466,854 4.808,855 5.282,856 5.77,857 5.862,858 6.133,859 6.3,860 6.388,861 6.506,862 0.909,863 56,864 15.09,865 6.875,866 8.132,867 27.151,868 22.243,869 2.632,870 102.639,874 356.276,875 137.941,876 68.919,878 187.883,880 3.143,881 137.941,882 541.016,883 68.919,884 17.65,885 88.718,886 140.597,887 112.955,888 37.965,890 353.133,892 353.133,893 206.86,894 187.883,895 3.143,897 282.506,898 184.246,899 74.264,900 106.369,901 100.491,902 3.143,904 353.133,905 256.802,906 137.941,907 3.143,908 3.143,909 353.133,910 53.957,911 83.984,912 36.022,913 220.78,914 353.133,915 256.802,916 141.085,918 0.585,919 0.304,920 0.16,921 0.092,922 23,923 13,924 0.156,925 12,927 1,928 4.787,929 357.172,931 18,932 196.131,936 30.963,937 14.175,938 10.158,940 256.802,941 10.875,946 1.892,948 143.182,949 751.02,950 51,954 48.067,957 -1.484,959 -4.692,960 75.92,961 84.952,962 0.265,963 0.611,964 0.793,965 0.866,966 0.894,967 0.894,968 5.209,969 2.029,970 6.107,971 6.098,972 4.745,973 5.153,974 2.867,975 6.891,976 4.713,977 6.411,978 1.962,979 7.659,980 5.291,981 4.511,982 5.103,983 2.179,984 7.897,985 4.487,986 7.721,987 1.513,988 9.31,989 5.14,990 6.361,991 7.226,992 3.717,993 10.839,994 6.298,995 9.058,996 1.399,997 11.019,998 3.865,999 6.858,1000 7.892,1001 3.744,1002 12.594,1003 6.8,1004 10.423,1005 1,1006 12.763,1007 3.14,1008 8.253,1009 9.595,1010 4.838,1011 15.111,1012 8.164,1013 11.806,1014 1,1015 14.53,1016 2.487,1017 9.071,1018 10.575,1019 5.179,1020 17.17,1021 8.98,1022 13.205,1023 1,1024 16.315,1025 2.39,1026 10.291,1027 12.114,1028 6.069,1029 19.541,1030 10.177,1031 3.139,1032 0.975,1033 18.112,1034 2.275,1035 11.26,1036 13.256,1037 6.561,1038 21.734,1039 11.139,1040 3.049,1041 10.195,1042 19.919,1043 2.136,1044 12.41,1045 14.717,1046 7.348,1047 24.054,1048 12.271,1049 2.876,1050 9.977,1051 21.733,1052 4.027,1053 13.454,1054 15.951,1055 7.918,1056 26.305,1057 13.304,1058 2.623,1059 9,1060 23.554,1061 3.813,1062 14.578,1063 17.371,1064 8.649,1065 28.61,1066 14.412,1067 2.513,1068 8.196,1069 25.38,1070 3.55,1071 15.658,1072 18.659,1073 9.261,1074 30.888,1075 15.48,1076 2.476,1077 7.115,1078 27.21,1079 3.211,1080 16.775,1081 20.057,1082 9.963,1083 33.189,1084 16.583,1085 2.084,1086 6.972,1087 29.045,1088 3.037,1089 17.874,1090 21.379,1091 10.599,1092 35.481,1093 17.669,1094 24379,1095 43071,1096 25.948,1097 48.279,1098 61.647,1099 63.833,1100 62.399,1101 60.902,1102 60.98,1103 74.366,1104 13.028,1105 172.671,1106 60.058,1107 5.418,1108 5.774,1109 6.26,1110 5.182,1111 5.139,1112 7.027,1113 3.451,1114 16.764,1115 5.1,1116 26.157,1117 1.504,1118 1.557,1119 1.522,1120 1.485,1121 1.487,1122 1.814,1123 0.318,1124 4.211,1125 1.465,1126 4.013,1127 4.041,1128 4.42,1129 3.936,1130 7.475,1131 3.925,1132 3.933,1133 3.955,1134 3.946,1135 3.883,1136 7.439,1137 3.86,1138 3.861,1139 3.913,1140 3.842,1141 3.759,1142 7.432,1143 3.743,1144 3.719,1145 3.752,1146 3.723,1147 3.727,1148 7.424,1149 3.541,1150 3.553,1151 3.582,1152 3.629,1153 3.495,1154 6.437,1155 3.365,1156 3.525,1157 3.528,1158 3.427,1159 3.318,1160 6.23,1161 3.328,1162 3.354,1163 3.396,1164 3.268,1165 3.166,1166 4.917,1167 3.166,1168 3.332,1169 3.388,1170 3.193,1171 3.122,1172 4.795,1173 3.122,1174 0.108,1175 0.092,1176 0.158,1177 0.101,1178 0.077,1179 4.418,1180 0.098,1181 3.774,1182 0.048,1183 6.458,1184 0.249,1185 4.127,1186 0.076,1187 3.139,1188 4.027,1189 1.971,1190 10.195,1191 3.1,1192 1.946,1193 1.924,1194 2.112,1195 2.062,1196 1.507,1197 2.072,1198 1.919,1199 1.896,1200 2.044,1201 2.026,1202 1.249,1203 2.04,1204 1.876,1205 1.825,1206 2.019,1207 1.995,1208 1.2,1209 2.009,1210 1.626,1211 1.587,1212 1.788,1213 1.846,1214 0.949,1215 1.831,1216 1.468,1217 1.413,1218 1.716,1219 1.712,1220 0.909,1221 1.71,1222 1.364,1223 1.367,1224 1.606,1225 1.56,1226 0.825,1227 1.599,1228 1.303,1229 1.255,1230 1.592,1231 1.546,1232 0.824,1233 1.553,1234 1.273,1235 1.228,1236 1.513,1237 1.462,1238 0.696,1239 1.516,1240 4.419,1242 5.74,1244 7.225,1246 8.784,1248 10.383,1250 3.047,1254 5.621,1255 17.87,1256 6.462,1257 5.483,1258 10.481,1260 -0.983,1267 45.662,1268 123.907,1269 285.452,1270 370.516,1271 404.632,1272 417.652,1273 417.652,1274 142.874,1275 7.667,1276 177.28,1277 187.09,1278 18,1279 12.613,1280 4.087,1281 3.459,1282 83.961,1283 216,1284 219,1285 0.184,1286 287.519,1287 516.17,1288 693.306,1289 24251,1291 28.579,1292 0.733,1293 0.589,1294 28.829,1295 22.986,1296 18.408,1297 0.449,1298 0.352,1299 12.837,1300 16.917,1301 12.408,1302 10.311,1303 19.334,1304 14.421,1305 17.79,1306 0.312,1307 0.193,1308 19.172,1309 11.012,1310 12.246,1311 0.188,1312 0.109,1313 12.697,1314 7.057,1315 10.023,1316 0.124,1317 0.062,1318 10.558,1319 5.004,1320 8.066,1321 0.081,1322 0.035,1323 8.431,1324 3.442,1325 0.297,1326 124.794,1327 0.196,1328 35.793,1329 0.484,1330 196,1331 660.303,1332 251.577,1333 633.17,1334 824.64,1335 580,1336 220,1337 548.758,1338 281.265,1339 581.769,1340 843.3,1341 544,1342 5.585}
{0 CHEMBL91829,1 1.502,2 9.743,3 3.479,4 12.106,5 135.851,6 7.438,7 0.5,8 4.257,9 4.372,10 3.84,11 3.811,12 5.311,13 3.796,14 4.831,15 5.002,16 4.238,17 4.25,18 5.851,19 4.221,20 5.087,21 5.269,22 4.344,23 4.446,24 6.081,25 4.384,26 5.26,27 5.47,28 4.46,29 4.561,30 6.273,31 4.488,32 5.371,33 5.576,34 4.55,35 4.626,36 6.383,37 4.562,38 5.455,39 5.667,40 4.625,41 4.699,42 6.486,43 4.634,44 5.519,45 5.746,46 4.566,47 4.705,48 6.531,49 4.625,50 5.405,51 5.634,52 4.318,53 4.565,54 6.422,55 4.453,56 0.01,57 0.931,58 12.794,59 5.704,60 8.109,61 7.426,62 0.33,63 1.576,64 25.693,65 9.495,66 27.812,67 12.684,68 0.384,69 1.917,70 34.175,71 13.551,72 35.095,73 17.839,74 0.389,75 2.258,76 41.743,77 16.368,78 66.1,79 22.422,80 0.571,81 2.511,82 47.271,83 17.453,84 57.707,85 23.328,86 0.503,87 2.715,88 51.617,89 19.102,90 69.583,91 25.88,92 0.628,93 2.852,94 56.723,95 19.81,96 93.764,97 26.839,98 0.758,99 2.485,100 51.171,101 18.086,102 105.793,103 24.444,104 19,105 59,106 0.237,107 0.569,108 0.715,109 0.784,110 0.804,111 0.824,112 3.59,113 0.903,114 -3.48,115 -3.46,116 -3.31,118 44.4,120 1,123 2,124 4,126 1,133 2,138 8,139 4,147 2,148 2,151 2,163 13,167 10,170 2,172 2,173 14,176 2,177 11,182 2,184 13,187 2,188 8,193 2,195 13,199 3,200 10,203 2,205 2,208 12,212 3,213 14,218 4,221 10,224 1,225 16,230 3,233 10,236 1,237 14,240 1,245 8,248 1,249 6,257 7,260 1438,261 23.93,262 23.93,263 23.93,264 23.93,265 23.93,266 21.264,267 21.829,268 13.939,269 24.38,270 19.802,271 19.802,272 19.802,273 19.802,274 19.802,275 15.494,276 21.51,277 6.631,278 20.498,279 4.476,280 2.372,281 1.445,282 1.008,283 0.881,284 0.754,285 4.308,289 1,290 765,291 3.24,293 112.181,294 97.343,297 139.797,301 0.993,302 32.204,305 1,306 0.67,307 1,308 0.8,309 0.5,310 1,311 1,312 0.85,313 75,314 341,315 4.825,316 3.839,317 7.187,318 4.422,319 3.429,320 4.714,321 1.2,322 12.66,323 3.405,324 4.638,325 3.32,326 6.82,327 4.167,328 3.194,329 4.601,330 0.86,331 11.317,332 3.111,333 4.357,334 3.219,335 6.535,336 3.918,337 2.943,338 3.942,339 0.8,340 10.243,341 2.866,342 3.609,343 3.152,344 5.878,345 3.505,346 2.574,347 2.917,348 0.8,349 7.843,350 2.39,351 3.581,352 2.943,353 5.489,354 3.252,355 2.266,356 2.806,358 7.262,359 2.234,360 3.433,361 2.483,362 5.399,363 3.058,364 2.106,365 2.723,367 6.615,368 2.004,369 3.384,370 2.375,371 5.217,372 2.97,373 1.996,374 2.63,376 5.936,377 1.928,378 3.325,379 2.249,380 4.956,381 2.907,382 1.939,383 2.54,385 5.465,386 1.876,387 3.149,388 2.037,389 4.751,390 2.783,391 1.857,392 2.307,394 4.662,395 1.704,396 2.937,397 1.923,398 4.436,399 2.678,400 1.648,401 1.952,403 4.576,404 1.685,405 2.843,406 1.502,407 4.379,408 2.327,409 1.331,410 1.913,411 3.638,412 1.323,413 2.705,414 1.451,415 3.808,416 2.28,417 1.309,418 1.789,419 2.941,420 1.266,421 2.628,422 1.236,423 3.628,424 2.158,425 1.176,426 1.649,427 2.814,428 1.152,429 2.452,430 1.206,431 3.594,432 2.088,433 1.112,434 1.427,435 2.709,436 1.079,437 2.206,438 1.005,439 3.574,440 1.812,441 0.846,442 1.071,443 2.137,444 0.812,445 16.6,446 0.474,447 0.922,448 0.026,449 44.25,450 1.264,451 20.5,452 0.586,453 23.75,454 0.679,455 34.267,456 0.979,457 36.8,458 0.584,459 39.403,460 1.126,461 8.837,462 0.252,463 8.171,464 0.233,465 0.1,467 0.404,471 0.746,472 1.368,473 0.757,474 1.083,475 0.542,476 0.943,477 1.038,478 0.92,479 0.874,480 0.786,481 0.566,482 0.786,483 1.05,484 0.999,485 0.972,486 0.978,487 0.874,488 0.969,489 0.729,490 1.045,491 0.826,492 0.996,493 0.521,494 0.935,495 1.102,496 1,497 0.96,498 0.992,499 0.904,500 0.962,501 1.02,502 1.051,503 0.902,504 1.007,505 1.006,506 0.947,507 1.269,508 0.981,509 1.035,510 0.956,511 1.261,512 0.956,513 1.267,514 0.996,515 1.184,516 1.027,517 1.448,518 1.085,519 6,520 0.186,521 3.778,522 3.847,523 1.994,524 1.779,525 1.447,526 0.889,527 0.611,528 0.34,529 15429,530 36566,531 2.173,532 44.4,534 23,535 2,537 1,540 2,542 1.78,543 2.039,544 3.221,545 -0.401,550 94.602,551 1.502,552 3.605,553 4.533,554 4.969,555 5.096,556 5.223,557 2.119,558 4.844,559 5.11,560 3.324,561 1977.84,562 9.037,563 28638.5,568 376.569,569 1.392,570 5.065,571 0.15,572 0.01,573 0.064,574 0.06,575 0.028,576 0.023,577 0.018,578 0.012,579 0.011,580 0.009,581 0.384,582 0.5,583 0.75,584 0.797,585 181.497,586 -0.016,587 -0.211,588 0.075,589 -0.066,590 -0.029,591 0.003,592 -0.045,593 0.209,594 0.047,595 0.18,596 0.042,597 0.142,598 -0.039,599 0.029,600 -0.035,601 0.026,602 -0.046,604 0.115,605 -0.045,606 0.123,607 0.008,608 0.198,609 0.059,610 0.013,611 0.016,612 0.019,613 -0.016,614 0.022,615 -0.003,616 0.026,617 -0.047,618 0.076,619 -0.027,620 0.04,621 0.024,622 -0.127,623 0.016,624 -0.031,625 0.007,626 -0.064,627 0.006,628 -0.104,629 -0.025,630 -0.175,631 -0.055,632 -0.136,633 -0.115,634 2.015,635 6.201,636 0.829,637 24.898,638 1,639 1.121,640 2.253,641 5.077,642 0.675,643 3.714,644 4.094,645 4.454,646 4.844,647 5.112,648 5.328,649 5.591,650 5.805,651 5.953,652 6.12,653 5.908,654 0.644,655 468.6,656 3.714,657 5.293,658 6.188,659 7.114,660 8.033,661 8.969,662 9.899,663 10.84,664 11.777,665 12.721,666 6.3,669 1,673 1,674 2,680 4,681 10,686 2,687 2,688 20,705 63,706 23,707 2,708 40,710 68,711 28,712 16,713 4,714 8,715 4,717 6,718 25,724 2,727 2,729 20,730 8,733 3,737 2,740 4,747 28,748 5,749 1,750 7,755 4,758 1,760 0.167,761 3,775 2,778 3,779 2,782 2,796 2,800 1,802 1,803 1,807 2,811 35,817 5,818 1,819 1,821 1,822 1,833 4.8,836 2,837 1,841 17.167,842 12.017,843 7.472,844 3.843,847 4.447,848 1.472,849 1.04,850 5.602,851 13.864,852 3.989,853 4.649,854 5.346,855 6.052,856 6.633,857 7.101,858 7.643,859 8.131,860 8.461,861 8.906,862 0.5,863 64,864 13.061,865 5.798,866 7.657,867 25.224,868 21.726,869 2.157,870 75.5,874 317.82,875 155.727,876 24.933,878 61.29,881 155.727,882 379.109,883 24.933,884 16.793,885 31.455,886 93.905,887 70.699,888 24.811,889 27.83,890 294.278,892 317.82,893 180.661,894 61.29,897 294.278,898 73.832,899 11,900 38.377,901 142.283,904 317.82,905 86.223,906 155.727,909 317.82,910 45.03,911 117.62,912 18.011,913 61.29,914 317.82,915 86.223,916 155.727,918 0.589,919 0.351,920 0.212,921 0.119,922 32,923 14,924 0.029,925 2,926 7,927 1.414,928 4.226,929 384.711,930 0.483,931 27,932 177.525,936 22.293,937 8.795,938 3.823,939 3.982,940 82.425,941 20.119,946 1.565,947 4.319,948 18.011,949 559.77,950 53,954 26.371,957 0.201,960 62.992,961 70.604,962 0.251,963 0.603,964 0.758,965 0.831,966 0.853,967 0.874,968 5.263,969 1.939,970 6.196,971 5.936,972 4.779,973 5.338,974 2.028,975 7.093,976 4.72,977 6.495,978 1.857,979 7.8,980 5.465,981 4.443,982 5.278,983 0.325,984 8.146,985 4.365,986 7.833,987 1.648,988 9.508,989 4.662,990 6.441,991 7.644,992 2.018,993 11.336,994 6.336,995 9.214,996 1.331,997 11.278,998 4.576,999 6.957,1000 8.481,1001 0.268,1002 13.272,1003 6.845,1004 10.634,1005 1.309,1006 13.091,1007 3.638,1008 8.435,1009 10.329,1010 2.149,1011 15.986,1012 8.302,1013 12.084,1014 1.176,1015 14.933,1016 2.941,1017 9.341,1018 11.569,1019 0.188,1020 18.269,1021 9.205,1022 13.557,1023 1.112,1024 16.797,1025 2.814,1026 10.629,1027 13.22,1028 2.37,1029 20.836,1030 10.478,1031 3.429,1032 0.846,1033 18.678,1034 2.709,1035 11.706,1036 14.633,1037 0.125,1038 23.254,1039 11.553,1040 3.194,1041 12.66,1042 20.572,1043 2.137,1044 12.929,1045 16.21,1046 2.65,1047 25.777,1048 12.765,1049 2.943,1050 11.317,1051 22.477,1052 4.714,1053 14.078,1054 17.694,1055 0.082,1056 28.249,1057 13.911,1058 2.574,1059 10.243,1060 24.391,1061 4.601,1062 15.283,1063 19.243,1064 2.964,1065 30.762,1066 15.108,1067 2.266,1068 7.843,1069 26.311,1070 3.942,1071 16.464,1072 20.757,1073 0.054,1074 33.259,1075 16.284,1076 2.106,1077 7.262,1078 28.237,1079 2.917,1080 17.666,1081 22.298,1082 3.298,1083 35.772,1084 17.48,1085 1.996,1086 6.615,1087 30.167,1088 2.806,1089 18.862,1090 23.825,1091 0.035,1092 38.282,1093 18.671,1094 14253,1095 22158,1096 27.164,1097 42.523,1098 62.398,1099 63.666,1100 63.769,1101 61.687,1102 61.664,1103 80.784,1104 7.32,1105 187.307,1106 59.814,1107 5.762,1108 5.839,1109 6.866,1110 5.512,1111 5.429,1112 7.714,1113 2.4,1114 20.497,1115 5.405,1116 15.604,1117 1.56,1118 1.592,1119 1.594,1120 1.542,1121 1.542,1122 2.02,1123 0.183,1124 4.683,1125 1.495,1126 4.209,1127 4.237,1128 4.179,1129 4.127,1130 7.45,1131 4.136,1132 4.097,1133 4.131,1134 4.061,1135 4.013,1136 7.408,1137 4.021,1138 3.788,1139 3.831,1140 3.745,1141 3.632,1142 4.957,1143 3.653,1144 3.741,1145 3.777,1146 3.632,1147 3.577,1148 4.886,1149 3.581,1150 3.522,1151 3.596,1152 3.391,1153 3.355,1154 4.584,1155 3.356,1156 3.493,1157 3.561,1158 3.361,1159 3.297,1160 4.328,1161 3.304,1162 3.311,1163 3.37,1164 3.191,1165 3.119,1166 4.278,1167 3.125,1168 3.202,1169 3.257,1170 3.068,1171 3.075,1172 4.232,1173 3.068,1174 0.121,1175 0.096,1176 0.18,1177 0.111,1178 0.086,1179 4.825,1180 0.118,1181 3.839,1182 0.03,1183 7.187,1184 0.317,1185 4.422,1186 0.085,1187 3.429,1188 4.714,1189 1.2,1190 12.66,1191 3.405,1192 1.964,1193 1.946,1194 2.05,1195 2.05,1196 1.309,1197 2.051,1198 1.931,1199 1.905,1200 2.027,1201 2.024,1202 1.204,1203 2.026,1204 1.787,1205 1.746,1206 1.959,1207 1.957,1208 1.173,1209 1.961,1210 1.661,1211 1.615,1212 1.823,1213 1.842,1214 1.052,1215 1.841,1216 1.581,1217 1.527,1218 1.775,1219 1.78,1220 0.969,1221 1.781,1222 1.451,1223 1.376,1224 1.674,1225 1.661,1226 0.837,1227 1.667,1228 1.299,1229 1.262,1230 1.467,1231 1.61,1232 0.647,1233 1.546,1234 1.187,1235 1.128,1236 1.417,1237 1.41,1238 0.552,1239 1.416,1240 4.394,1242 5.759,1243 3.434,1244 7.307,1245 5.938,1246 8.947,1247 8.138,1248 10.641,1250 4.126,1256 3.644,1257 2.566,1258 6.377,1260 0.074,1261 2.154,1267 40.552,1268 94.602,1269 227.108,1270 285.549,1271 313.059,1272 321.059,1273 329.059,1274 61.165,1275 9.416,1276 72.26,1277 72.26,1278 41,1279 13.215,1280 4.585,1281 3.807,1282 46.46,1283 140,1284 119,1285 0.181,1286 241.96,1287 416.53,1288 582.143,1289 191113,1291 24.104,1292 0.689,1293 0.57,1294 24.104,1295 19.953,1296 17.008,1297 0.425,1298 0.301,1299 11.864,1300 16.368,1301 11.56,1302 9.521,1303 17.008,1304 12.038,1305 15.892,1306 0.269,1307 0.162,1308 15.892,1309 9.584,1310 13.639,1311 0.16,1312 0.082,1313 13.639,1314 6.994,1315 12.797,1316 0.102,1317 0.043,1318 12.797,1319 5.467,1320 10.619,1321 0.064,1322 0.023,1323 10.619,1324 3.864,1325 0.271,1326 106.451,1327 0.192,1328 30.705,1329 0.538,1330 198,1331 528.475,1332 214.27,1333 509.984,1334 710.54,1335 480,1336 243,1337 531.818,1338 260.744,1339 541.512,1340 807.73,1341 510,1342 5}
{0 CHEMBL939,1 1.765,2 12.935,3 4.203,4 17.668,5 117.539,6 8.126,7 0.5,8 4.125,9 4.233,10 3.763,11 3.608,12 5.232,13 3.614,14 4.683,15 4.851,16 4.108,17 3.975,18 5.763,19 3.967,20 4.893,21 5.085,22 4.228,23 4.114,24 6.01,25 4.075,26 4.91,27 5.131,28 4.063,29 4.094,30 5.891,31 4.01,32 4.924,33 5.162,34 3.998,35 4.066,36 5.867,37 3.975,38 4.855,39 5.07,40 4.024,41 4.022,42 5.847,43 3.955,44 4.822,45 5.037,46 4.035,47 4,48 5.867,49 3.93,50 4.743,51 4.957,52 4.007,53 3.938,54 5.802,55 3.875,56 0.111,57 0.856,58 10.201,59 4.964,60 8.62,61 6.061,62 0.52,63 1.327,64 22.65,65 8.032,66 32.965,67 9.846,68 0.832,69 1.556,70 32.057,71 10.206,72 61.553,73 12.9,74 0.668,75 1.527,76 32.189,77 10.914,78 50.112,79 14.647,80 0.769,81 1.436,82 34.793,83 11.224,84 55.907,85 15.459,86 0.703,87 1.383,88 30.31,89 10.185,90 51.652,91 13.425,92 0.773,93 1.377,94 29.541,95 9.526,96 53.011,97 12.641,98 0.507,99 1.332,100 28.621,101 8.847,102 41.222,103 11.646,104 11,105 46,106 0.291,107 0.618,108 0.788,109 0.862,110 0.862,111 0.862,112 3.472,113 0.926,114 -4.14,115 -4.08,116 -3.86,118 40,120 1,123 1,124 6,138 5,139 1,140 5,142 1,143 1,144 1,163 2,166 1,167 7,170 1,172 3,173 3,176 2,177 5,182 2,184 3,187 2,188 4,191 1,193 2,195 4,199 2,200 3,203 1,208 5,212 1,213 4,216 1,221 4,224 2,225 7,230 1,233 2,237 4,245 1,248 2,249 3,252 1,257 2,260 1793,261 21.3,262 21.3,263 21.3,264 21.3,265 21.3,266 19.212,267 28.856,268 12.772,269 22.231,270 16.748,271 16.748,272 16.748,273 16.748,274 16.748,275 13.558,276 41.089,277 6.022,278 18.21,279 4.016,280 2.038,281 1.007,282 0.559,283 0.559,284 0.559,285 4.172,286 1,288 1,289 1,290 866,291 3.24,294 375.27,298 143.891,301 2.067,302 34.732,305 1,306 1,307 1,308 1,309 0.5,310 1,311 1,312 0.93,313 68.833,314 401,315 4.575,316 3.319,317 6.586,318 4.099,319 3.135,320 4.513,321 0.86,322 10.534,323 3.023,324 4.218,325 3.281,326 6.054,327 3.76,328 2.835,329 3.872,330 0.86,331 8.734,332 2.605,333 3.99,334 2.944,335 5.946,336 3.569,337 2.645,338 3.493,339 0.86,340 8.294,341 2.43,342 3.569,343 2.884,344 5.361,345 3.436,346 2.52,347 2.926,348 0.8,349 6.965,350 2.305,351 3.52,352 2.475,353 5.34,354 3.155,355 2.228,356 2.674,357 0.4,358 6.774,359 2.032,360 3.334,361 2.316,362 5.011,363 2.867,364 1.925,365 2.521,367 5.763,368 1.803,369 2.999,370 2.162,371 4.505,372 2.589,373 1.675,374 2.22,376 4.444,377 1.524,378 2.82,379 2.123,380 4.042,381 2.481,382 1.561,383 1.949,385 3.523,386 1.433,387 2.767,388 1.897,389 3.948,390 2.319,391 1.414,392 1.819,394 3.451,395 1.23,396 2.581,397 1.618,398 3.696,399 2.29,400 1.414,401 1.587,403 3.144,404 1.217,405 2.312,406 1.367,407 3.448,408 2.091,409 1.174,410 1.3,411 2.612,412 1.067,413 2,414 1.256,415 3.247,416 1.952,417 1,418 1,419 2.136,420 0.946,421 1.822,422 0.969,423 3.201,424 1.535,425 0.632,426 0.729,427 1.449,428 0.565,429 1.555,430 0.825,431 2.898,432 1.27,433 0.391,434 0.416,435 0.737,436 0.34,437 1.471,438 0.734,439 2.812,440 1.162,441 0.282,442 0.34,443 0.598,444 0.236,445 14.6,446 0.471,447 0.623,448 0.02,449 38.75,450 1.25,451 17.5,452 0.565,453 21.25,454 0.685,455 26.928,456 0.869,457 34.6,458 0.629,459 29.763,460 0.96,461 7.851,462 0.253,463 7.285,464 0.235,465 0.103,467 0.301,470 1,471 0.775,472 1.345,473 0.626,474 1.16,475 0.585,476 0.989,477 1.168,478 0.98,479 0.792,480 0.838,481 0.738,482 0.833,483 1.016,484 1.056,485 0.905,486 0.952,487 0.808,488 0.943,489 0.783,490 0.984,491 0.87,492 1.054,493 0.73,494 1.065,495 0.707,496 0.736,497 0.809,498 0.899,499 0.482,500 0.916,501 0.933,502 0.895,503 0.777,504 0.917,505 0.705,506 0.942,507 0.928,508 0.86,509 0.854,510 0.838,511 0.69,512 0.915,513 0.962,514 1.09,515 1.043,516 1.073,517 0.862,518 1.026,519 5.5,520 0.177,521 3.111,522 1.563,523 1.782,524 0.736,525 0.625,526 0.531,527 0.32,528 0.284,529 13808,530 42102,531 2.104,532 43.6,534 20,536 1,537 1,540 2,542 1.737,543 2,544 3.648,545 -0.297,547 1,550 97.073,551 1.765,552 3.743,553 4.774,554 5.222,555 5.222,556 5.222,557 3.112,558 4.696,559 4.92,560 3.818,561 1775.43,562 8.602,563 25978.8,565 1,567 1,568 317.975,569 1.277,570 4.899,571 0.162,572 0.006,573 0.068,574 0.033,575 0.043,576 0.018,577 0.016,578 0.014,579 0.009,580 0.008,581 0.376,582 0.33,583 1,584 0.646,585 162.713,586 -0.052,587 -0.241,588 0.04,589 -0.139,590 -0.014,591 -0.038,592 -0.17,593 0.02,594 0.008,595 0.11,596 -0.016,597 0.087,598 -0.011,599 -0.043,600 0.013,601 0.016,602 0.095,603 0.007,604 0.019,605 -0.051,606 -0.011,607 -0.086,608 0.002,609 -0.076,610 0.081,611 0.061,612 0.074,613 0.064,614 0.075,615 0.092,616 -0.025,617 -0.026,618 0.053,619 0.042,620 -0.017,621 0.039,622 -0.003,623 0.031,624 0.039,625 0.111,626 0.023,627 0.05,628 -0.088,629 -0.116,630 -0.027,631 -0.096,632 -0.012,633 -0.053,634 2.141,635 5.468,636 0.71,637 36.081,638 1.017,639 1.136,640 2.907,641 8.449,642 0.665,643 3.555,644 3.85,645 4.111,646 4.344,647 4.605,648 4.644,649 4.762,650 4.898,651 5.024,652 5.063,653 7.531,654 0.641,655 446.95,656 3.555,657 5.081,658 5.922,659 6.783,660 7.642,661 8.511,662 9.377,663 10.251,664 11.123,665 12.001,666 7.3,669 1,674 1,676 2,680 2,681 6,682 2,686 6,688 17,699 1,703 2,704 2,705 55,706 17,707 2,708 34,710 58,711 22,712 14,713 7,714 5,717 4,718 5,719 1,727 1,729 14,730 8,744 1,745 1,747 24,748 8,749 1,750 9,751 1,755 4,760 0.75,761 3,774 1,779 4,783 1,800 1,802 1,803 3,807 1,808 1,809 1,811 31,817 7,818 1,819 3,822 1,832 2,833 5.5,837 1,838 2,841 15.5,842 10.136,843 6.944,844 3.258,847 3.35,848 1.427,849 0.977,850 7.404,851 11.2,852 3.773,853 4.357,854 4.936,855 5.514,856 6.126,857 6.428,858 6.814,859 7.249,860 7.671,861 7.846,862 0.889,863 48,864 11.46,865 4.82,866 7.789,867 21.807,868 17.542,869 2.289,870 70.944,873 1,874 270.735,875 122.422,876 54.706,877 39.149,878 33,879 14.96,881 122.422,882 342.884,883 69.666,884 10.883,885 22.629,886 47.381,887 56.342,888 82.336,889 17.288,890 258.964,891 39.149,892 270.735,893 177.128,894 47.96,895 39.149,897 262.153,898 45.542,899 11,900 54.527,901 89.03,902 72.72,904 285.695,905 87.706,906 161.571,909 270.735,910 55.539,911 70.007,912 18.011,913 120.679,914 270.735,915 102.666,916 161.571,918 0.571,919 0.336,920 0.178,921 0.1,922 21,923 9,924 0.138,925 8,926 1,927 1.091,928 4.318,929 272.759,930 0.091,931 22,932 149.58,936 22.028,937 10.42,938 5.547,939 1.454,940 102.666,941 9.546,942 8.666,946 1.968,948 18.011,949 534.972,950 42.5,960 55.945,961 62.472,962 0.305,963 0.647,964 0.826,965 0.903,966 0.903,967 0.903,968 4.999,969 1.561,970 5.883,971 4.444,972 4.533,973 5.043,974 1.905,975 6.658,976 4.377,977 6.181,978 1.414,979 7.418,980 3.523,981 4.007,982 4.856,983 0.325,984 7.476,985 3.767,986 7.478,987 1.414,988 9.052,989 3.451,990 6.089,991 7.255,992 1.567,993 10.569,994 5.815,995 8.812,996 1.174,997 10.746,998 3.144,999 6.399,1000 7.925,1001 0.268,1002 12.224,1003 6.05,1004 10.183,1005 1,1006 12.479,1007 2.612,1008 7.918,1009 9.801,1010 1.31,1011 14.822,1012 7.542,1013 11.577,1014 0.632,1015 14.238,1016 2.136,1017 8.631,1018 10.882,1019 0.188,1020 16.84,1021 8.196,1022 12.992,1023 0.391,1024 16.017,1025 1.449,1026 9.91,1027 12.538,1028 1.087,1029 19.264,1030 9.447,1031 3.135,1032 0.282,1033 17.81,1034 0.737,1035 10.825,1036 13.825,1037 0.125,1038 21.451,1039 10.316,1040 2.835,1041 10.534,1042 19.614,1043 0.598,1044 12,1045 15.386,1046 0.89,1047 23.814,1048 11.463,1049 2.645,1050 8.734,1051 21.428,1052 4.513,1053 13.016,1054 16.777,1055 0.082,1056 26.082,1057 12.442,1058 2.52,1059 8.294,1060 23.249,1061 3.872,1062 14.15,1063 18.297,1064 0.718,1065 28.427,1066 13.549,1067 2.228,1068 6.965,1069 25.077,1070 3.493,1071 15.217,1072 19.74,1073 0.054,1074 30.734,1075 14.583,1076 1.925,1077 6.774,1078 26.91,1079 2.926,1080 16.337,1081 21.244,1082 0.571,1083 33.076,1084 15.677,1085 1.675,1086 5.763,1087 28.749,1088 2.674,1089 17.431,1090 22.714,1091 0.035,1092 35.404,1093 16.741,1094 13112,1095 23153,1096 23.057,1097 36.557,1098 49.568,1099 51.362,1100 51.011,1101 49.795,1102 49.662,1103 62.717,1104 7.56,1105 138.316,1106 45.509,1107 5.575,1108 5.319,1109 6.388,1110 5.203,1111 5.135,1112 7.513,1113 1.72,1114 17.471,1115 5.023,1116 13.097,1117 1.458,1118 1.511,1119 1.5,1120 1.465,1121 1.461,1122 1.845,1123 0.222,1124 4.068,1125 1.339,1126 4.079,1127 4.107,1128 4.073,1129 3.977,1130 8.201,1131 3.991,1132 3.889,1133 3.909,1134 3.979,1135 3.819,1136 5.104,1137 3.819,1138 3.82,1139 3.884,1140 3.697,1141 3.61,1142 4.861,1143 3.621,1144 3.558,1145 3.603,1146 3.489,1147 3.346,1148 4.755,1149 3.362,1150 3.432,1151 3.482,1152 3.341,1153 3.229,1154 4.626,1155 3.246,1156 3.167,1157 3.241,1158 3.276,1159 2.941,1160 4.466,1161 2.944,1162 3.111,1163 3.206,1164 3.021,1165 2.927,1166 4.368,1167 2.91,1168 3.108,1169 3.174,1170 2.963,1171 2.882,1172 4.092,1173 2.89,1174 0.135,1175 0.098,1176 0.194,1177 0.121,1178 0.092,1179 4.575,1180 0.133,1181 3.319,1182 0.025,1183 6.586,1184 0.31,1185 4.099,1186 0.089,1187 3.135,1188 4.513,1189 0.86,1190 10.534,1191 3.023,1192 2.005,1193 1.984,1194 2.056,1195 2.126,1196 1.292,1197 2.106,1198 1.855,1199 1.835,1200 1.975,1201 1.993,1202 1.182,1203 1.991,1204 1.754,1205 1.691,1206 1.923,1207 1.946,1208 1.069,1209 1.945,1210 1.507,1211 1.452,1212 1.775,1213 1.742,1214 1.031,1215 1.75,1216 1.354,1217 1.309,1218 1.594,1219 1.616,1220 0.825,1221 1.604,1222 1.153,1223 1.064,1224 1.513,1225 1.407,1226 0.59,1227 1.429,1228 1.127,1229 1.047,1230 1.391,1231 1.376,1232 0.498,1233 1.417,1234 1.021,1235 0.961,1236 1.258,1237 1.274,1238 0.377,1239 1.259,1240 4.234,1242 5.533,1244 7.036,1246 8.634,1248 10.283,1250 1.6,1251 5.895,1252 13.468,1256 5.899,1257 3.173,1258 16.905,1261 2.369,1267 35.236,1268 97.073,1269 205.859,1270 262.591,1271 287.22,1272 287.22,1273 287.22,1274 55.025,1275 7.85,1276 68.74,1277 68.74,1278 24,1279 12.54,1280 4.17,1281 3.248,1282 49.422,1283 137,1284 152,1285 0.171,1286 217.506,1287 377.55,1288 522.475,1289 30787,1290 3.6,1291 21.631,1292 0.698,1293 0.58,1294 21.261,1295 17.992,1296 15.135,1297 0.445,1298 0.309,1299 9.925,1300 14.004,1301 9.718,1302 7.97,1303 15.013,1304 10.493,1305 13.173,1306 0.286,1307 0.164,1308 13.085,1309 7.56,1310 11.237,1311 0.187,1312 0.09,1313 10.838,1314 5.373,1315 9.019,1316 0.119,1317 0.048,1318 9.188,1319 3.622,1320 7.584,1321 0.077,1322 0.025,1323 7.494,1324 2.445,1325 0.272,1326 99.806,1327 0.208,1328 29.48,1329 0.46,1330 160,1331 572.789,1332 196.338,1333 540.013,1334 716.72,1335 508,1336 186,1337 488.128,1338 220.188,1339 494.037,1340 724.55,1341 463,1342 5}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,118 42.6,119 1,123 1,124 5,138 10,139 4,140 2,141 3,142 1,146 1,151 1,163 11,166 1,167 7,170 3,172 5,173 12,176 1,177 6,182 5,184 7,187 1,188 13,192 1,193 6,195 3,200 9,205 3,208 5,212 1,213 6,216 4,218 2,221 11,224 1,225 3,228 1,230 2,233 13,236 2,237 5,242 4,245 11,249 8,254 2,257 6,260 2915,261 25.256,262 25.256,263 25.256,264 25.256,265 25.256,266 22.252,267 30.255,268 15.065,269 25.762,270 20.276,271 20.276,272 20.276,273 20.276,274 20.276,275 15.83,276 48.345,277 7.248,278 21.073,279 4.619,280 2.571,281 1.397,282 0.809,283 0.581,284 0.581,285 4.35,289 1,290 1361,291 3.317,294 678.363,301 2.71,302 24.81,305 1,306 0.83,307 1,308 0.8,309 0.5,310 1,311 1,312 0.88,313 78.5,314 619,315 4.315,316 3.573,317 6.185,318 3.93,319 2.959,320 3.96,321 1.058,322 9.244,323 2.89,324 4.24,325 3.072,326 6.115,327 3.858,328 2.876,329 3.87,330 0.916,331 8.969,332 2.818,333 4.165,334 3.043,335 6.033,336 3.787,337 2.798,338 3.759,339 0.8,340 8.628,341 2.765,342 3.82,343 2.87,344 5.588,345 3.604,346 2.658,347 3.263,348 0.4,349 7.698,350 2.52,351 3.74,352 2.687,353 5.313,354 3.344,355 2.392,356 3.117,357 0.172,358 6.87,359 2.27,360 3.544,361 2.462,362 5.204,363 3.267,364 2.32,365 2.784,367 6.483,368 2.183,369 3.434,370 2.335,371 5.127,372 3.087,373 2.123,374 2.551,376 6.246,377 2.046,378 3.203,379 2.27,380 4.806,381 2.861,382 1.928,383 2.486,385 5.438,386 1.786,387 3.033,388 1.869,389 4.413,390 2.731,391 1.773,392 2.052,394 4.415,395 1.697,396 2.857,397 1.829,398 4.15,399 2.412,400 1.441,401 2,403 3.703,404 1.398,405 2.744,406 1.543,407 4.047,408 2.282,409 1.265,410 1.806,411 3.364,412 1.276,413 2.709,414 1.262,415 3.541,416 2.207,417 1.238,418 1.75,419 2.792,420 1.197,421 2.5,422 1.146,423 3.429,424 2,425 1,426 1.5,427 2.387,428 1,429 2.5,430 1,431 3.414,432 1.967,433 1,434 1.5,435 2.275,436 0.965,437 2.5,438 1,439 3.414,440 1.961,441 1,442 1.5,443 2.275,444 0.958,445 17.633,446 0.477,447 0.814,448 0.022,449 51.25,450 1.385,451 26.5,452 0.716,453 24.75,454 0.669,455 29.967,456 0.81,457 38.767,458 0.57,459 41.044,460 1.109,461 10.312,462 0.279,463 7.718,464 0.209,465 0.076,467 0.301,471 0.848,472 1.433,473 0.808,474 1.104,475 0.626,476 0.972,477 0.991,478 0.994,479 0.919,480 0.878,481 0.591,482 0.877,483 1.061,484 1.208,485 1.096,486 1.165,487 0.867,488 1.137,489 0.973,490 1.042,491 0.968,492 1.04,493 0.971,494 1.011,495 1.198,496 0.876,497 0.825,498 0.754,499 1.213,500 0.747,501 0.988,502 0.96,503 1.076,504 1.036,505 1.053,506 1.059,507 0.958,508 0.93,509 0.951,510 0.966,511 1.182,512 0.964,513 1.025,514 1.05,515 0.997,516 1.062,517 1.329,518 1.041,519 7.5,520 0.206,521 3.556,522 1.875,523 1.791,524 0.938,525 0.726,526 0.668,527 0.358,528 0.262,529 25355,530 58418,531 2.133,532 45.6,533 3,534 23,536 3,537 2,542 1.776,543 2.037,544 4.006,545 0.135,550 99.834,551 1.468,552 3.516,553 4.69,554 5.278,555 5.506,556 5.506,557 3.506,558 4.703,559 5.178,560 4.179,561 2783.16,562 9.086,563 48375,568 413.947,569 1.241,570 5.159,571 0.183,572 0.006,573 0.063,574 0.033,575 0.037,576 0.018,577 0.015,578 0.015,579 0.008,580 0.007,581 0.385,582 0.33,583 0.75,584 0.435,585 208.703,586 -0.022,587 -0.243,588 0.063,589 -0.075,590 -0.021,591 -0.009,592 0.046,593 0.146,594 0.024,595 0.089,596 0.102,597 0.061,598 -0.097,599 -0.145,600 -0.151,601 -0.173,602 -0.002,603 -0.168,604 0.021,605 -0.089,606 0.03,607 -0.055,608 0.075,609 -0.019,610 -0.065,611 0.072,612 0.198,613 0.214,614 0.019,615 0.235,616 0.047,617 0.098,618 -0.115,619 -0.056,620 -0.036,621 -0.097,622 0.03,623 0.03,624 0.033,625 0.04,626 -0.028,627 0.037,628 0.066,629 -0.067,630 -0.022,631 -0.052,632 0.048,633 -0.049,634 1.809,635 5.93,636 0.811,637 52.079,638 0.995,639 1.128,640 2.907,641 8.452,642 0.671,643 3.738,644 4.043,645 4.277,646 4.5,647 4.754,648 4.736,649 4.868,650 4.997,651 5.069,652 5.165,653 9.44,654 0.635,655 493.67,656 3.738,657 5.273,658 6.107,659 6.965,660 7.812,661 8.671,662 9.522,663 10.381,664 11.235,665 12.095,666 10.3,669 2,673 1,674 1,676 3,681 13,682 3,686 8,688 24,694 1,699 1,705 68,706 25,707 2,708 41,710 72,711 29,712 21,713 5,714 7,715 1,717 5,718 5,721 1,729 22,730 7,733 1,737 1,740 1,747 31,748 8,749 2,750 8,755 7,760 1,761 1,773 1,774 1,779 5,800 2,803 5,807 2,811 37,817 5,818 2,822 2,833 1.5,836 1,841 18.167,842 12.75,843 8.083,844 3.987,847 4.413,848 1.525,849 1.005,850 7.739,851 12.824,852 4.007,853 4.575,854 5.103,855 5.635,856 6.188,857 6.321,858 6.701,859 7.07,860 7.413,861 7.753,862 1,863 56,864 13.659,865 5.724,866 7.595,867 26.45,868 21.544,869 2.095,870 77.5,874 341.362,875 177.271,876 92.627,878 25.145,881 177.271,882 366.507,883 92.627,884 17.222,885 28.539,886 94.762,887 115.519,888 72.414,889 1.899,890 306.049,892 341.362,893 269.898,894 25.145,897 341.362,898 25.145,900 93.422,901 126.119,902 50.357,904 341.362,905 117.772,906 177.271,909 341.362,910 38.145,911 145.375,912 36.022,913 75.502,914 341.362,915 117.772,916 177.271,918 0.579,919 0.33,920 0.172,921 0.1,922 26,923 11,924 0.097,925 7,927 1,928 4.937,929 345.14,931 30,932 184.75,936 24.883,937 11.508,938 6.507,940 117.772,941 24.532,942 13.135,946 6.558,948 36.022,949 636.405,950 54,954 12.93,957 -0.143,960 67.643,961 76.68,962 0.241,963 0.578,964 0.771,965 0.867,966 0.905,967 0.905,968 5.231,969 1.928,970 6.071,971 6.246,972 4.727,973 5.263,974 1.796,975 6.821,976 4.656,977 6.413,978 1.773,979 7.59,980 5.438,981 4.205,982 4.89,983 0.57,984 7.554,985 4.108,986 7.694,987 1.441,988 9.202,989 4.415,990 6.271,991 7.375,992 1.605,993 10.61,994 6.137,995 9.003,996 1.265,997 10.868,998 3.703,999 6.538,1000 7.786,1001 0.581,1002 12.137,1003 6.39,1004 10.342,1005 1.238,1006 12.568,1007 3.364,1008 8.057,1009 9.747,1010 1.567,1011 14.679,1012 7.872,1013 11.701,1014 1,1015 14.29,1016 2.792,1017 8.703,1018 10.551,1019 0.515,1020 16.554,1021 8.511,1022 13.075,1023 1,1024 16.03,1025 2.387,1026 9.976,1027 12.256,1028 1.582,1029 18.895,1030 9.751,1031 2.959,1032 1,1033 17.781,1034 2.275,1035 10.818,1036 13.281,1037 0.441,1038 20.936,1039 10.586,1040 2.876,1041 9.244,1042 19.542,1043 2.275,1044 11.974,1045 14.844,1046 1.624,1047 23.192,1048 11.714,1049 2.798,1050 8.969,1051 21.311,1052 3.96,1053 12.919,1054 16,1055 0.373,1056 25.314,1057 12.648,1058 2.658,1059 8.628,1060 23.086,1061 3.87,1062 14.02,1063 17.479,1064 1.682,1065 27.535,1066 13.725,1067 2.392,1068 7.698,1069 24.865,1070 3.759,1071 15.019,1072 18.715,1073 0.314,1074 29.696,1075 14.711,1076 2.32,1077 6.87,1078 26.65,1079 3.263,1080 16.094,1081 20.144,1082 1.752,1083 31.904,1084 15.765,1085 2.123,1086 6.483,1087 28.437,1088 3.117,1089 17.122,1090 21.429,1091 0.264,1092 34.085,1093 16.777,1094 23469,1095 35900,1096 28.027,1097 45.631,1098 61.129,1099 61.824,1100 61.655,1101 60.676,1102 60.636,1103 79.069,1104 6.694,1105 168.484,1106 58.468,1107 5.315,1108 5.573,1109 5.987,1110 5.001,1111 4.959,1112 6.96,1113 2.117,1114 15.558,1115 4.89,1116 14.663,1117 1.491,1118 1.508,1119 1.504,1120 1.48,1121 1.479,1122 1.929,1123 0.163,1124 4.109,1125 1.426,1126 4.028,1127 4.068,1128 3.978,1129 3.932,1130 7.429,1131 3.936,1132 3.942,1133 3.983,1134 3.891,1135 3.852,1136 5.049,1137 3.855,1138 3.893,1139 3.932,1140 3.833,1141 3.814,1142 4.842,1143 3.816,1144 3.794,1145 3.855,1146 3.684,1147 3.604,1148 4.74,1149 3.614,1150 3.667,1151 3.724,1152 3.611,1153 3.505,1154 4.684,1155 3.524,1156 3.412,1157 3.467,1158 3.335,1159 3.214,1160 4.378,1161 3.235,1162 3.242,1163 3.335,1164 3.084,1165 3.036,1166 4.052,1167 3.031,1168 3.111,1169 3.206,1170 2.962,1171 2.941,1172 3.963,1173 2.91,1174 0.105,1175 0.087,1176 0.151,1177 0.096,1178 0.072,1179 4.315,1180 0.097,1181 3.573,1182 0.026,1183 6.185,1184 0.225,1185 3.93,1186 0.07,1187 2.959,1188 3.96,1189 1.058,1190 9.244,1191 2.89,1192 1.957,1193 1.929,1194 2.065,1195 2.075,1196 1.323,1197 2.073,1198 1.918,1199 1.886,1200 2.028,1201 2.05,1202 1.16,1203 2.045,1204 1.877,1205 1.846,1206 1.979,1207 1.995,1208 1.125,1209 1.994,1210 1.752,1211 1.681,1212 1.95,1213 1.936,1214 1.027,1215 1.946,1216 1.608,1217 1.556,1218 1.728,1219 1.794,1220 0.825,1221 1.779,1222 1.344,1223 1.291,1224 1.591,1225 1.588,1226 0.735,1227 1.587,1228 1.223,1229 1.136,1230 1.546,1231 1.48,1232 0.691,1233 1.503,1234 1.153,1235 1.064,1236 1.513,1237 1.376,1238 0.619,1239 1.429,1240 4.419,1242 5.727,1244 7.225,1246 8.801,1248 10.416,1250 4.158,1256 5.237,1257 6.294,1261 4.8,1267 43.186,1268 99.834,1269 239.113,1270 318.954,1271 358.928,1272 374.438,1273 374.438,1274 55.749,1275 8.411,1276 86.28,1277 86.28,1278 30,1279 12.647,1280 4.7,1281 3.807,1282 57.104,1283 209,1284 228,1285 0.128,1286 265.482,1287 456.33,1288 639.535,1289 68589,1291 25.614,1292 0.692,1293 0.573,1294 25.614,1295 21.185,1296 18.03,1297 0.44,1298 0.304,1299 12.293,1300 17.418,1301 11.937,1302 9.945,1303 18.03,1304 12.457,1305 16.198,1306 0.289,1307 0.168,1308 16.198,1309 9.392,1310 13.45,1311 0.189,1312 0.093,1313 13.45,1314 6.573,1315 10.811,1316 0.121,1317 0.048,1318 10.811,1319 4.278,1320 9.213,1321 0.08,1322 0.027,1323 9.213,1324 3.137,1325 0.21,1326 112.246,1327 0.189,1328 34.613,1329 0.329,1330 194,1331 510.627,1332 209.481,1333 506.189,1334 701.38,1335 476,1336 224,1337 521.411,1338 240.37,1339 535.987,1340 775.58,1341 502,1342 5}