@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4069 @attribute molecule_id {CHEMBL1082723,CHEMBL110609,CHEMBL128100,CHEMBL1790241,CHEMBL1791094,CHEMBL1791095,CHEMBL1794005,CHEMBL1794006,CHEMBL1794007,CHEMBL1794008,CHEMBL1794009,CHEMBL1794010,CHEMBL184938,CHEMBL2087549,CHEMBL2179195,CHEMBL265635,CHEMBL265847,CHEMBL267341,CHEMBL267382,CHEMBL268360,CHEMBL268806,CHEMBL270948,CHEMBL295563,CHEMBL411252,CHEMBL413897,CHEMBL426607,CHEMBL427614,CHEMBL427807,CHEMBL428636,CHEMBL429407,CHEMBL429560,CHEMBL436726,CHEMBL437664,CHEMBL438231,CHEMBL438232,CHEMBL438236,CHEMBL438932,CHEMBL439883,CHEMBL440057,CHEMBL441376,CHEMBL441744,CHEMBL452075,CHEMBL475306,CHEMBL482950,CHEMBL483993,CHEMBL484158,CHEMBL506214} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.007 numeric @attribute C.008 numeric @attribute C.011 numeric @attribute C.013 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.028 numeric @attribute C.029 numeric @attribute C.031 numeric @attribute C.032 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.035 numeric @attribute C.038 numeric @attribute C.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_DD numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DN numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_02_PP numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DN numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_03_PN numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_04_PN numeric @attribute CATS2D_04_PP numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_05_PP 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_NN numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_06_PN 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_07_PN numeric @attribute CATS2D_07_PP numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DN numeric @attribute CATS2D_08_DP numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_08_NN numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_08_PN numeric @attribute CATS2D_08_PP 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_NN numeric @attribute CATS2D_09_PL numeric @attribute CATS2D_09_PN numeric @attribute CATS2D_09_PP 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.Dtr08 numeric @attribute D.Dtr09 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.dm. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.dm. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.dm. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.dm. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.dm. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.dm. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.dm. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute F.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 HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute Hypertens.50 numeric @attribute Hypertens.80 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.80 numeric @attribute Inflammat.80 numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2i numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3i numeric @attribute MATS3m numeric @attribute MATS3p numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s numeric @attribute MATS4v numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS5m numeric @attribute MATS5p numeric @attribute MATS5s numeric @attribute MATS5v numeric @attribute MATS6e numeric @attribute MATS6i numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6s numeric @attribute MATS6v numeric @attribute MATS7e numeric @attribute MATS7i numeric @attribute MATS7m numeric @attribute MATS7p numeric @attribute MATS7s numeric @attribute MATS7v numeric @attribute MATS8e numeric @attribute MATS8i numeric @attribute MATS8m numeric @attribute MATS8p numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute Me numeric @attribute Mi numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute Mp numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MSD numeric @attribute Mv numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute N.066 numeric @attribute N.067 numeric @attribute N.068 numeric @attribute N.070 numeric @attribute N.071 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute N.074 numeric @attribute N.075 numeric @attribute n135.Triazines numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaaS numeric @attribute NaasC numeric @attribute NaasN numeric @attribute nAB numeric @attribute nArCONR2 numeric @attribute nArNHR 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 nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCL numeric @attribute nC..N.N2 numeric @attribute nCONN numeric @attribute nCp numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCRX3 numeric @attribute nCs numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NdO numeric @attribute NdsN numeric @attribute NdssC numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nF numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nImidazoles numeric @attribute nN numeric @attribute nN.CO.2 numeric @attribute nN.N numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs numeric @attribute nPyrazoles numeric @attribute nPyridines numeric @attribute nPyrimidines numeric @attribute nPyrroles numeric @attribute nPyrrolidines numeric @attribute nR03 numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR08 numeric @attribute nR09 numeric @attribute nRCO numeric @attribute nRCONH2 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nRCOOH numeric @attribute nRNH2 numeric @attribute nRNHR numeric @attribute nRNR2 numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute NsF numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nThiazoles numeric @attribute nTriazoles numeric @attribute nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute O.060 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psychotic.50 numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_4 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 numeric @attribute P_VSA_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.107 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SaaaC numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaaN numeric @attribute SaaNH numeric @attribute SaaS numeric @attribute SaasC numeric @attribute SaasN numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdO numeric @attribute SdsN numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW03 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsCH3 numeric @attribute SsCl numeric @attribute SsF numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.803,2 7.846,3 4.427,4 19.601,5 98.669,6 9.756,7 0.533,8 3.848,9 3.947,10 3.639,11 3.494,12 5.002,13 3.484,14 4.406,15 4.528,16 4.144,17 3.973,18 5.58,19 3.953,20 4.734,21 4.891,22 4.323,23 4.143,24 5.989,25 4.109,26 4.821,27 5.009,28 4.259,29 4.165,30 5.95,31 4.113,32 4.804,33 4.977,34 4.296,35 4.134,36 6.034,37 4.083,38 4.779,39 4.975,40 4.085,41 4.036,42 5.98,43 3.943,44 4.612,45 4.834,46 3.999,47 3.844,48 5.8,49 3.717,50 4.248,51 4.464,52 3.701,53 3.391,54 5.768,55 3.249,56 0.117,57 0.645,58 4.425,59 3.166,60 10.437,61 3.448,62 0.239,63 1.106,64 9.755,65 6.044,66 25.734,67 6.997,68 0.619,69 1.461,70 21.934,71 8.807,72 63.996,73 9.656,74 0.603,75 1.563,76 24.192,77 9.808,78 61.876,79 11.405,80 0.618,81 1.494,82 22.774,83 9.777,84 69.058,85 11.024,86 0.778,87 1.435,88 26.117,89 9.941,90 99.008,91 10.596,92 0.615,93 1.16,94 29.97,95 9.812,96 66.684,97 11.798,98 0.77,99 0.829,100 28.629,101 7.341,102 102.743,103 8.071,104 26,105 48,106 0.315,107 0.713,108 0.84,109 0.9,110 0.9,111 0.9,112 3.307,113 0.905,114 -4.81,115 -4.72,116 -4.43,117 47.5,118 1,119 1,124 1,125 1,127 5,128 3,129 4,135 2,138 1,150 5,155 1,157 8,160 9,165 1,167 1,168 2,169 7,172 10,177 3,180 1,181 1,182 5,185 7,191 4,196 10,199 8,204 3,209 4,212 9,223 1,226 9,232 1,237 1,240 6,255 1,261 878,262 17.245,263 17.245,264 17.245,265 17.245,266 17.245,267 15.194,268 20.645,269 9.486,270 17.684,271 14.776,272 14.776,273 14.776,274 14.776,275 14.776,276 11.559,277 25.682,278 4.49,279 15.633,280 3.519,281 1.237,282 0.509,283 0.169,284 0.169,285 0.169,286 4.012,287 2,289 1,290 1,291 455,292 2.915,294 70.773,295 143.466,297 206.459,298 1.101,299 36.623,301 1,302 0.83,303 1,304 0.8,305 0.5,306 1,307 1,308 0.88,309 56.667,310 204,311 4.977,312 4.409,313 8.295,314 4.783,315 3.803,316 4.685,317 2.332,318 16.518,319 3.726,320 4.552,321 3.4,322 6.749,323 4.109,324 3.134,325 4.212,326 1.133,327 10.988,328 3.057,329 4.041,330 3.177,331 6.096,332 3.615,333 2.681,334 3.585,335 0.178,336 8.574,337 2.499,338 3.838,339 3.015,340 5.859,341 3.399,342 2.472,343 3.262,344 0.073,345 7.81,346 2.26,347 3.461,348 2.787,349 5.456,350 3.189,351 2.236,352 2.747,354 6.457,355 2.104,356 3.34,357 2.493,358 5.186,359 2.978,360 2.064,361 2.628,363 5.989,364 1.852,365 3.164,366 2.368,367 5.11,368 2.788,369 1.824,370 2.334,372 5.75,373 1.747,374 3.108,375 2.177,376 4.929,377 2.709,378 1.72,379 2.168,381 5.166,382 1.618,383 2.932,384 1.911,385 4.793,386 2.503,387 1.548,388 2.073,390 4.791,391 1.455,392 2.514,393 1.511,394 4.214,395 2.096,396 1.149,397 1.506,399 3.207,400 1.062,401 2.219,402 1.155,403 3.79,404 1.78,405 0.858,406 1.121,408 2.342,409 0.764,410 1.476,411 0.835,412 3.259,413 1.121,414 0.213,415 0.249,417 0.551,418 0.175,419 1.283,420 0.608,421 3.145,422 0.897,428 0.91,429 0.199,430 2.845,431 0.479,432 -0.453,433 -0.525,435 -1.279,436 -0.357,437 0.739,438 0.004,439 2.714,440 0.39,441 -0.49,442 -0.597,444 -1.426,445 -0.385,446 12.748,447 0.49,448 0.947,449 0.036,450 33.5,451 1.288,452 16,453 0.615,454 17.5,455 0.673,456 24.352,457 0.937,458 26.852,459 0.671,460 25.059,461 0.964,462 6.316,463 0.243,464 6.081,465 0.234,466 0.2,467 0.039,468 0.431,470 1,471 0.63,472 0.933,473 0.503,474 0.697,475 0.528,476 0.687,477 0.572,478 1.074,479 0.521,480 0.824,481 0.497,482 0.793,483 0.834,484 0.992,485 0.833,486 0.963,487 0.785,488 0.951,489 0.77,490 0.921,491 0.723,492 0.913,493 0.742,494 0.951,495 0.859,496 0.978,497 0.744,498 1.003,499 0.972,500 1.019,501 1.14,502 0.94,503 0.993,504 1.018,505 1.235,506 1.154,507 0.985,508 0.943,509 1.123,510 1.039,511 1.026,512 1.045,513 1.506,514 1.083,515 1.826,516 1.248,517 1.477,518 1.161,519 7.5,520 0.025,521 4.444,522 3.208,523 2.516,524 1.654,525 0.701,526 0.572,527 0.191,528 0.118,529 6737,530 23516,531 2.134,532 35,534 6,537 3,539 5,541 1.701,542 1.938,543 2.965,544 0.974,546 1,547 72.109,548 1.803,549 4.085,550 4.813,551 5.153,552 5.153,553 5.153,554 2.391,555 4.624,556 4.673,557 3.077,558 1000.13,559 8.152,560 11421.4,561 1,562 1,563 212.877,564 1.693,565 4.602,566 0.25,567 0.006,568 0.093,569 0.061,570 0.049,571 0.034,572 0.019,573 0.02,574 0.011,575 0.015,576 0.558,577 0.5,578 0.88,579 0.638,580 121.186,581 -0.08,582 0.039,583 -0.006,584 0.089,585 -0.053,586 0.087,587 0.03,588 -0.13,589 0.067,590 0.008,591 0.051,592 0.047,593 0.01,594 -0.014,595 -0.05,596 -0.075,597 0.026,598 -0.065,599 -0.019,600 -0.021,602 -0.017,603 -0.015,604 -0.006,606 -0.106,607 0.028,608 -0.087,609 -0.031,610 -0.074,611 -0.151,612 0.004,613 -0.125,614 -0.058,615 -0.164,616 -0.172,617 0.021,618 -0.05,619 0.078,620 0.047,621 -0.035,622 0.079,623 0.119,624 0.118,625 -0.124,626 -0.02,627 0.166,628 -0.009,629 2.338,630 6.101,631 0.808,632 17.657,633 1.024,634 1.121,635 3.578,636 12.8,637 0.736,638 3.434,639 3.892,640 4.29,641 4.7,642 5.056,643 5.268,644 5.509,645 5.71,646 5.802,647 5.886,648 4.834,649 0.713,650 390.26,651 3.434,652 5.056,653 5.984,654 6.948,655 7.904,656 8.875,657 9.842,658 10.816,659 11.789,660 12.765,661 7.5,663 1,667 1,668 1,672 2,673 5,675 1,677 7,679 16,685 3,686 40,687 17,688 2,689 30,690 44,691 19,692 14,693 7,694 5,696 5,697 9,698 2,701 1,702 2,703 1,705 2,706 15,707 4,708 1,709 1,710 1,712 1,714 1,715 1,716 14,717 4,718 3,719 7,720 2,722 3,725 0.2,726 1,732 1,735 2,736 3,738 3,741 1,745 1,749 1,752 1,753 2,754 1,755 26,758 1,759 2,762 1,764 1,767 3,768 2.5,771 1,774 13.417,775 7.595,776 5.347,777 2.447,778 3.313,779 1.399,780 1.054,781 3.398,782 11.611,783 3.689,784 4.404,785 5.074,786 5.764,787 6.385,788 6.82,789 7.309,790 7.771,791 8.056,792 8.403,793 1,794 53,795 9.708,796 4.573,797 7.941,798 18.181,799 16.316,800 2.441,801 63.472,803 1,804 129.482,805 96.17,806 52.807,807 78.297,808 25.145,809 14.96,811 96.17,812 232.924,813 67.767,814 8.825,815 20.545,816 65.392,817 29.85,818 44.609,819 19.861,820 129.482,821 78.297,822 129.482,823 148.977,824 40.105,825 78.297,826 85.587,827 84,829 64.167,830 84.81,831 78.297,833 144.442,834 77.952,835 174.467,836 129.482,837 39.963,838 56.206,839 52.807,840 118.402,841 129.482,842 92.912,843 174.467,844 0.615,845 0.378,846 0.218,847 0.136,848 29,849 13,852 3,853 1.333,854 3.511,855 260.5,856 0.286,857 22,858 122.211,860 16.423,861 5.379,862 2.131,863 1.456,864 76.127,865 8.332,867 3.311,869 3.24,871 52.807,872 396.861,873 39,874 13.101,876 -0.18,877 40.978,878 44.838,879 0.339,880 0.768,881 0.904,882 0.968,883 0.968,884 0.968,885 5.011,886 1.72,887 6.057,888 5.75,889 4.575,890 5.091,891 2.466,892 7.054,893 4.478,894 6.288,895 1.548,896 7.738,897 5.166,898 4.511,899 5.182,900 2.316,901 8.51,902 4.36,903 7.668,904 1.149,905 9.533,906 4.791,907 6.378,908 7.412,909 3.667,910 11.73,911 6.23,912 9.085,913 0.858,914 11.403,915 3.207,916 7.124,917 8.28,918 4.121,919 14.113,920 6.949,921 10.537,922 0.213,923 13.329,924 2.342,925 8.573,926 10.063,927 5.19,928 16.994,929 8.395,930 12.016,932 15.297,933 0.551,934 9.666,935 11.284,936 5.87,937 19.68,938 9.475,939 13.516,940 -0.453,941 17.299,943 11,944 12.901,945 6.82,946 22.493,947 10.799,948 3.803,949 -0.49,950 19.328,951 -1.279,952 12.233,953 14.286,954 7.593,955 25.264,956 12.019,957 3.134,958 16.518,959 21.378,960 -1.426,961 13.545,962 15.84,963 8.487,964 28.066,965 13.317,966 2.681,967 10.988,968 23.443,969 4.685,970 14.832,971 17.299,972 9.301,973 30.86,974 14.589,975 2.472,976 8.574,977 25.52,978 4.212,979 16.146,980 18.832,981 10.17,982 33.662,983 15.886,984 2.236,985 7.81,986 27.606,987 3.585,988 17.456,989 20.327,990 11.002,991 36.463,992 17.179,993 2.064,994 6.457,995 29.699,996 3.262,997 18.776,998 21.854,999 11.858,1000 39.266,1001 18.481,1002 1.824,1003 5.989,1004 31.797,1005 2.747,1006 20.096,1007 23.366,1008 12.698,1009 42.069,1010 19.783,1011 6359,1012 11974,1013 19.709,1014 29.455,1015 48.047,1016 49.856,1017 50.668,1018 47.658,1019 47.402,1020 61.141,1021 7.431,1022 156.286,1023 44.639,1024 5.933,1025 6.409,1026 7.599,1027 5.836,1028 5.803,1029 7.685,1030 3.904,1031 25.214,1032 5.726,1033 14.019,1034 1.602,1035 1.662,1036 1.689,1037 1.589,1038 1.58,1039 2.038,1040 0.248,1041 5.21,1042 1.488,1043 4.197,1044 4.225,1045 4.205,1046 4.111,1047 8.201,1048 4.121,1049 3.955,1050 3.978,1051 4.028,1052 3.887,1053 7.428,1054 3.889,1055 3.66,1056 3.709,1057 3.78,1058 3.549,1059 4.996,1060 3.546,1061 3.403,1062 3.448,1063 3.542,1064 3.245,1065 4.916,1066 3.247,1067 3.311,1068 3.347,1069 3.363,1070 3.14,1071 4.644,1072 3.155,1073 2.99,1074 3.061,1075 3.085,1076 2.84,1077 4.39,1078 2.839,1079 2.918,1080 2.985,1081 3.006,1082 2.788,1083 4.2,1084 2.779,1085 2.742,1086 2.835,1087 2.74,1088 2.55,1089 3.855,1090 2.513,1091 0.166,1092 0.147,1093 0.276,1094 0.159,1095 0.127,1096 4.977,1097 0.156,1098 4.409,1099 0.078,1100 8.295,1101 0.551,1102 4.783,1103 0.124,1104 3.803,1105 4.685,1106 2.332,1107 16.518,1108 3.726,1109 1.95,1110 1.933,1111 2.031,1112 2.033,1113 1.333,1114 2.036,1115 1.899,1116 1.879,1117 1.953,1118 1.997,1119 1.128,1120 1.989,1121 1.749,1122 1.709,1123 1.877,1124 1.889,1125 1.044,1126 1.892,1127 1.38,1128 1.325,1129 1.59,1130 1.597,1131 0.754,1132 1.598,1133 1.197,1134 1.152,1135 1.357,1136 1.461,1137 0.525,1138 1.426,1139 1.01,1140 0.968,1141 1.225,1142 1.23,1143 0.283,1144 1.243,1145 0.913,1146 0.871,1147 1.088,1148 1.114,1149 0.165,1150 1.121,1151 0.779,1152 0.725,1153 1.03,1154 0.963,1155 0.099,1156 1,1157 4.111,1159 5.533,1160 3.045,1161 7.159,1162 5.587,1163 8.886,1164 7.854,1165 10.672,1166 2.006,1167 12.167,1168 14.073,1171 0.668,1172 6.376,1175 0.01,1177 -1.088,1178 28.505,1179 72.109,1180 163.393,1181 192.513,1182 206.122,1183 206.122,1184 206.122,1185 51.431,1186 8.299,1187 56.92,1188 56.92,1189 28,1190 13.239,1191 4.17,1192 3.322,1193 33.522,1194 74,1195 76,1196 0.23,1197 174.882,1198 299.92,1199 418.472,1200 43135,1201 7.5,1202 18.215,1203 0.701,1204 0.586,1205 18.345,1206 15.225,1207 12.397,1208 0.413,1209 0.302,1210 8.261,1211 11.446,1212 8.02,1213 6.524,1214 12.563,1215 9.048,1216 12.435,1217 0.259,1218 0.162,1219 12.744,1220 7.778,1221 11.105,1222 0.154,1223 0.08,1224 11.038,1225 5.794,1226 10.009,1227 0.092,1228 0.042,1229 10.277,1230 4.577,1231 9.192,1232 0.059,1233 0.023,1234 9.437,1235 3.595,1236 0.337,1237 83.372,1238 0.225,1239 23.798,1240 0.716,1241 156,1242 479.252,1243 199.578,1244 502.651,1245 669.79,1246 466,1247 198,1248 455.174,1249 234.193,1250 475.532,1251 717.64,1252 450,1253 4.523} {0 CHEMBL110609,1 1.518,2 8.84,3 6.275,4 39.371,5 105.24,6 7.742,7 0.393,8 3.985,9 4.115,10 3.6,11 3.555,12 4.914,13 3.501,14 4.54,15 4.75,16 3.923,17 3.903,18 5.418,19 3.807,20 4.746,21 4.988,22 4.067,23 4.029,24 5.589,25 3.925,26 4.836,27 5.063,28 4.248,29 4.128,30 5.757,31 4.04,32 4.948,33 5.18,34 4.095,35 4.188,36 5.811,37 4.069,38 5.045,39 5.337,40 3.907,41 4.139,42 5.81,43 3.976,44 4.877,45 5.158,46 3.782,47 4.065,48 5.563,49 3.864,50 4.793,51 5.07,52 3.636,53 3.99,54 5.487,55 3.757,56 0.042,57 0.733,58 10.323,59 4.582,60 6.056,61 6.445,62 0.217,63 1.14,64 21.545,65 7.735,66 18.155,67 11.014,68 0.243,69 1.292,70 31.623,71 9.547,72 25.473,73 13.611,74 0.461,75 1.478,76 37.09,77 9.093,78 39.247,79 13.39,80 0.304,81 1.661,82 33.646,83 10.556,84 29.6,85 15.679,86 0.572,87 1.639,88 43.267,89 11.799,90 46.558,91 17.704,92 0.286,93 1.342,94 34.375,95 11.939,96 25.529,97 17.077,98 0.262,99 1.137,100 37.503,101 12.41,102 28.111,103 17.069,104 19,105 41,106 0.26,107 0.544,108 0.739,109 0.788,110 0.788,111 0.788,112 3.268,113 1.068,114 -7.37,115 -7.16,116 -6.61,117 38.8,118 1,119 5,120 2,121 1,122 1,124 1,127 3,128 1,129 2,133 1,141 1,146 1,150 9,152 4,153 5,160 8,164 1,165 8,172 7,177 14,185 9,191 17,199 6,204 10,212 7,218 1,226 8,232 1,240 14,255 15,261 868,262 16.955,263 16.955,264 16.955,265 16.955,266 16.955,267 15.567,268 17.625,269 9.809,270 17.441,271 13.78,272 13.78,273 13.78,274 13.78,275 13.78,276 11.704,277 24.512,278 4.555,279 14.713,280 4.097,281 2.436,282 1.296,283 1.01,284 1.01,285 1.01,286 3.937,287 2,290 1,291 485,292 3.464,293 105.195,294 74.63,295 88.053,298 1.472,299 17.035,301 0.75,302 0.83,303 0.83,304 0.9,305 1,306 0.83,307 1,308 0.88,309 52.667,310 221,311 4.533,312 3.442,313 6.926,314 4.24,315 3.284,316 4.233,317 0.8,318 11.684,319 3.157,320 4.259,321 3.281,322 6.652,323 4.054,324 3.101,325 3.699,327 10.64,328 2.934,329 4.001,330 2.923,331 5.961,332 3.596,333 2.672,334 3.216,336 8.414,337 2.446,338 3.559,339 2.696,340 5.556,341 3.414,342 2.414,343 2.815,345 7.058,346 2.414,347 3.414,348 2.466,349 5.414,350 3.25,351 2.335,352 2.485,354 6.928,355 2.105,356 3.295,357 2.414,358 4.945,359 2.876,360 1.994,361 2.414,363 5.621,364 1.699,365 2.847,366 1.772,367 4.521,368 2.4,369 1.49,370 1.974,372 4.131,373 1.334,374 2.631,375 1.531,376 4.297,377 2.334,378 1.401,379 1.652,381 3.772,382 1.247,383 2.409,384 1.195,385 3.814,386 2.113,387 1.132,388 1.371,390 2.647,391 1.108,392 2.14,393 1.048,394 3.766,395 1.907,396 0.966,397 1.138,399 2.439,400 0.892,401 1.411,402 0.465,403 2.938,404 1.311,405 0.351,406 0.367,408 0.702,409 0.335,410 1.27,411 0.328,412 2.718,413 0.802,414 -0.045,415 -0.058,417 -0.111,418 -0.033,419 0.797,420 0.256,421 2.586,422 0.586,423 -0.414,424 -0.414,426 -1,427 -0.293,428 0.586,429 -0.414,430 2.359,431 0.31,432 -0.514,433 -0.621,435 -1.182,436 -0.414,437 0.554,438 -0.425,439 2.315,440 0.272,441 -0.639,442 -0.675,444 -1.242,445 -0.58,446 12.529,447 0.501,448 0.678,449 0.027,450 27,451 1.08,452 10.5,453 0.42,454 16.5,455 0.66,456 27.02,457 1.081,458 27.671,459 0.565,460 16.334,461 0.653,462 4.311,463 0.172,464 7.769,465 0.311,466 0.194,468 0.383,471 0.609,472 1.423,473 0.596,474 1.019,475 0.572,476 0.987,477 0.729,478 1.14,479 0.664,480 0.919,481 0.473,482 0.956,483 0.994,484 1.121,485 0.794,486 0.827,487 0.822,488 0.791,489 1.186,490 1.086,491 0.788,492 0.82,493 0.911,494 0.855,495 1.032,496 1.39,497 0.791,498 1.082,499 0.853,500 1.129,501 1,502 0.837,503 0.783,504 0.825,505 0.997,506 0.903,507 0.625,508 0.883,509 0.682,510 0.907,511 0.493,512 0.996,513 0.622,514 0.878,515 0.998,516 1.104,517 0.907,518 1.086,519 5,520 0.104,521 2.556,522 1.993,523 1.588,524 1.002,525 0.782,526 0.35,527 0.251,528 0.145,529 6761,530 16181,531 2.105,532 49,533 11,534 9,539 4,541 1.687,542 1.948,543 3.076,544 -0.751,547 74.371,548 1.518,549 3.179,550 4.319,551 4.604,552 4.604,553 4.604,554 2.539,555 4.084,556 4.616,557 3.287,558 986.178,559 8.017,560 11696.8,563 275.121,564 1.473,565 4.565,566 0.179,567 0.013,568 0.073,569 0.05,570 0.036,571 0.025,572 0.024,573 0.013,574 0.011,575 0.007,576 0.432,577 0.33,578 0.88,579 0.98,580 118.509,581 0.088,582 -0.154,583 0.033,584 -0.054,585 0.05,586 -0.009,587 0.151,588 0.004,589 0.061,590 0.001,591 0.247,592 -0.012,593 0.02,594 -0.079,595 0.116,596 0.121,597 0.101,598 0.166,599 -0.004,600 0.055,601 0.087,602 0.076,603 0.114,604 0.052,605 -0.1,606 -0.266,607 -0.09,608 -0.202,609 -0.001,610 -0.215,611 -0.05,612 0.167,613 -0.02,614 0.053,615 -0.103,616 0.016,617 0.031,618 0.063,619 0.055,620 0.043,621 0.089,622 -0.01,623 0.072,624 -0.027,625 -0.02,626 -0.061,627 -0.069,628 -0.042,629 1.058,630 2.279,631 0.68,632 19.389,633 0.995,634 1.132,635 6.144,636 37.744,637 0.676,638 3.367,639 3.738,640 3.97,641 4.29,642 4.477,643 4.522,644 4.554,645 4.615,646 4.605,647 4.489,648 5.505,649 0.623,650 379.37,651 3.367,652 4.934,653 5.82,654 6.735,655 7.641,656 8.56,657 9.473,658 10.394,659 11.311,660 12.232,661 8.2,666 1,668 1,670 2,673 3,674 2,677 5,678 1,679 11,682 1,685 2,686 49,687 11,688 1,689 28,690 52,691 19,692 8,693 3,694 3,696 4,697 4,698 2,701 1,702 4,703 2,705 6,706 8,707 11,708 2,716 24,717 3,719 6,720 2,722 4,725 1,734 2,735 1,736 1,749 4,752 2,753 2,755 25,758 6,762 3,763 1,766 1,767 2,774 12.833,775 9.336,776 5.444,777 3.436,778 2.021,779 1.293,780 0.974,781 4.891,782 8.915,783 3.541,784 4.123,785 4.626,786 5.204,787 5.624,788 5.913,789 6.232,790 6.541,791 6.786,792 6.904,793 0.833,794 40,795 9.274,796 3.99,797 7.482,798 18.461,799 16.096,800 1.982,801 49.556,804 282.506,805 74.842,806 38.349,807 78.297,811 74.842,812 360.804,813 38.349,814 17.222,815 14.778,816 28.429,817 35.776,818 15.088,819 1.899,820 282.506,821 78.297,822 282.506,823 113.192,825 78.297,826 235.422,827 47.084,829 29.607,830 50.136,831 111.746,833 282.506,834 38.349,835 153.14,836 282.506,837 29.192,838 50.551,840 111.746,841 282.506,842 38.349,843 153.14,844 0.588,845 0.322,846 0.19,847 0.105,848 22,849 10,850 0.135,851 7,853 1,854 3.679,855 217.036,857 17,858 106.096,860 17.477,861 6.996,862 3.925,864 36.573,865 5.522,866 9.632,869 3.749,870 1.837,872 473.996,873 33.5,877 48.774,878 55.448,879 0.27,880 0.566,881 0.769,882 0.82,883 0.82,884 0.82,885 4.826,886 1.401,887 5.832,888 4.131,889 4.419,890 4.808,891 0.673,892 6.713,893 4.293,894 6.05,895 1.132,896 7.44,897 3.772,898 4.29,899 4.771,900 0.325,901 7.828,902 4.089,903 7.378,904 0.966,905 9.15,906 2.647,907 6.111,908 6.952,909 0.379,910 10.91,911 5.892,912 8.734,913 0.351,914 10.916,915 2.439,916 6.711,917 7.663,918 0.268,919 12.794,920 6.428,921 10.119,922 -0.045,923 12.718,924 0.702,925 8.101,926 9.408,927 0.239,928 15.453,929 7.799,930 11.524,931 -0.414,932 14.545,933 -0.111,934 9.012,935 10.472,936 0.188,937 17.654,938 8.654,939 12.945,940 -0.514,941 16.389,942 -1,943 10.25,944 12.039,945 0.156,946 20.167,947 9.865,948 3.284,949 -0.639,950 18.248,951 -1.182,952 11.3,953 13.28,954 0.125,955 22.504,956 10.866,957 3.101,958 11.684,959 20.117,960 -1.242,961 12.484,962 14.768,963 0.102,964 24.965,965 12.018,966 2.672,967 10.64,968 21.996,969 4.233,970 13.598,971 16.1,972 0.082,973 27.36,974 13.086,975 2.414,976 8.414,977 23.882,978 3.699,979 14.765,980 17.554,981 0.066,982 29.804,983 14.218,984 2.335,985 7.058,986 25.774,987 3.216,988 15.908,989 18.933,990 0.054,991 32.224,992 15.319,993 1.994,994 6.928,995 27.671,996 2.815,997 17.073,998 20.373,999 0.043,1000 34.665,1001 16.446,1002 1.49,1003 5.621,1004 29.572,1005 2.485,1006 18.23,1007 21.778,1008 0.035,1009 37.097,1010 17.563,1011 6463,1012 10244,1013 18.611,1014 33.114,1015 42.823,1016 43.251,1017 45.149,1018 42.565,1019 42.281,1020 50.728,1021 1.6,1022 128.074,1023 39.342,1024 5.533,1025 5.442,1026 6.683,1027 5.316,1028 5.284,1029 7.233,1030 1.2,1031 19.049,1032 5.157,1033 12.552,1034 1.529,1035 1.545,1036 1.612,1037 1.52,1038 1.51,1039 1.812,1040 0.057,1041 4.574,1042 1.405,1043 4.073,1044 4.126,1045 4.127,1046 3.954,1047 5.099,1048 3.955,1049 3.96,1050 4.001,1051 3.939,1052 3.884,1053 4.933,1054 3.876,1055 3.738,1056 3.791,1057 3.784,1058 3.627,1059 4.62,1060 3.608,1061 3.732,1062 3.787,1063 3.581,1064 3.541,1065 4.394,1066 3.57,1067 3.572,1068 3.653,1069 3.567,1070 3.396,1071 4.118,1072 3.388,1073 3.13,1074 3.234,1075 3.395,1076 2.89,1077 4.11,1078 2.889,1079 2.944,1080 3.025,1081 3.053,1082 2.838,1083 4.066,1084 2.81,1085 2.878,1086 2.922,1087 2.927,1088 2.777,1089 3.872,1090 2.754,1091 0.162,1092 0.123,1093 0.247,1094 0.151,1095 0.117,1096 4.533,1097 0.151,1098 3.442,1099 0.029,1100 6.926,1101 0.417,1102 4.24,1103 0.113,1104 3.284,1105 4.233,1106 0.8,1107 11.684,1108 3.157,1109 1.896,1110 1.88,1111 1.946,1112 1.972,1113 1.282,1114 1.976,1115 1.712,1116 1.647,1117 1.937,1118 1.917,1119 1.099,1120 1.922,1121 1.485,1122 1.417,1123 1.732,1124 1.724,1125 1.093,1126 1.721,1127 1.439,1128 1.356,1129 1.677,1130 1.654,1131 0.825,1132 1.682,1133 1.156,1134 1.093,1135 1.513,1136 1.383,1137 0.825,1138 1.429,1139 1.153,1140 1.064,1141 1.513,1142 1.376,1143 0.736,1144 1.429,1145 1.153,1146 1.064,1147 1.368,1148 1.376,1149 0.627,1150 1.372,1151 0.906,1152 0.826,1153 1.262,1154 1.144,1155 0.532,1156 1.176,1157 4.043,1158 2.565,1159 5.398,1160 4.511,1161 6.948,1162 6.378,1163 8.588,1164 8.236,1165 10.276,1166 4.161,1167 12.421,1171 7.517,1175 2.256,1176 2.461,1178 30.535,1179 74.371,1180 155.763,1181 211.637,1182 225.611,1183 225.611,1184 225.611,1185 36.48,1186 6.894,1187 33.95,1188 33.95,1189 17,1190 12.741,1191 3.585,1192 2.7,1193 35.686,1194 82,1195 86,1196 0.216,1197 192.657,1198 327.24,1199 461.844,1200 7269,1201 4.1,1202 17.552,1203 0.702,1204 0.651,1205 18.552,1206 16.263,1207 12.08,1208 0.431,1209 0.356,1210 9.188,1211 11.169,1212 8.875,1213 7.339,1214 12.657,1215 9.968,1216 11.137,1217 0.272,1218 0.2,1219 11.916,1220 8.186,1221 8.505,1222 0.164,1223 0.1,1224 9.099,1225 5.186,1226 7.531,1227 0.105,1228 0.057,1229 8.268,1230 4.091,1231 5.87,1232 0.067,1233 0.032,1234 6.295,1235 2.814,1236 0.328,1237 80.843,1238 0.232,1239 23.794,1240 0.625,1241 138,1242 328.987,1243 178.197,1244 383.051,1245 518.73,1246 358,1247 168,1248 354.526,1249 200.654,1250 377.197,1251 560.94,1252 356,1253 5} {0 CHEMBL128100,1 1.937,2 10.214,3 7.799,4 60.824,5 110.821,6 10.06,7 0.367,8 3.96,9 4.065,10 3.8,11 3.568,12 5.054,13 3.521,14 4.535,15 4.704,16 4.28,17 3.931,18 6.093,19 3.861,20 4.709,21 4.91,22 4.317,23 4.03,24 5.895,25 3.921,26 4.78,27 4.989,28 4.639,29 4.09,30 5.981,31 3.986,32 4.749,33 4.946,34 4.38,35 4.084,36 5.972,37 3.939,38 4.83,39 5.062,40 4.249,41 4.092,42 5.908,43 3.97,44 4.792,45 4.989,46 4.277,47 3.963,48 6.107,49 3.905,50 4.802,51 5.009,52 4.443,53 3.729,54 6.493,55 3.778,56 0.186,57 0.88,58 5.207,59 4.51,60 26.061,61 4.999,62 0.942,63 1.685,64 17.083,65 8.037,66 142.645,67 9.01,68 0.794,69 1.419,70 33.548,71 10.559,72 77.579,73 12.302,74 0.899,75 1.702,76 46.678,77 12.18,78 83.98,79 12.78,80 1.049,81 1.644,82 38.853,83 11.967,84 92.608,85 12.521,86 0.835,87 1.77,88 38.763,89 13.293,90 105.097,91 14.578,92 1.063,93 1.953,94 36.552,95 12.129,96 145.026,97 10.701,98 1.681,99 1.802,100 40.219,101 10.705,102 196.82,103 9.107,104 55,105 44,106 0.336,107 0.635,108 0.787,109 0.832,110 0.832,111 0.832,112 3.375,113 1.083,114 -6.48,115 -6.31,116 -5.85,117 38.3,118 1,119 3,120 1,122 3,126 1,127 2,129 4,130 1,135 1,142 1,150 4,153 3,155 1,157 1,160 5,165 4,169 4,176 1,185 6,191 4,194 1,196 1,199 9,204 2,212 5,218 4,223 2,226 1,232 4,237 3,261 1246,262 18.03,263 18.03,264 18.03,265 18.03,266 18.03,267 16.592,268 24.069,269 10.436,270 19.036,271 14.799,272 14.799,273 14.799,274 14.799,275 14.799,276 12.584,277 35.463,278 4.932,279 16.732,280 3.618,281 1.894,282 1.016,283 0.756,284 0.756,285 0.756,286 4.036,287 3,290 1,291 598,292 4.243,293 60.062,294 87.297,295 105.602,298 1.515,299 47.351,301 0.75,302 0.67,303 0.83,304 0.9,305 1,306 0.83,307 1,308 0.85,309 63,310 286,311 4.594,312 4.473,313 7.26,314 4.263,315 3.403,316 4.159,317 3.825,318 12.314,319 2.934,320 4.383,321 3.425,322 6.438,323 3.929,324 3.027,325 4.044,326 0.916,327 9.872,328 2.689,329 3.846,330 3.086,331 5.815,332 3.731,333 2.769,334 3.047,335 0.4,336 8.245,337 2.674,338 3.736,339 2.817,340 5.608,341 3.425,342 2.576,343 2.793,344 0.172,345 7.71,346 2.192,347 3.479,348 2.715,349 5.203,350 3.195,351 2.285,352 2.735,354 6.563,355 2.002,356 3.317,357 2.623,358 5.025,359 2.964,360 2.096,361 2.481,363 5.957,364 1.749,365 3.232,366 2.453,367 4.879,368 2.707,369 1.879,370 2.414,372 5.313,373 1.514,374 2.989,375 2.112,376 4.871,377 2.643,378 1.758,379 2.059,381 5.225,382 1.441,383 2.364,384 1.372,385 4.101,386 2.057,387 1.096,388 1.32,390 3.024,391 1.047,392 2.058,393 1.187,394 3.377,395 1.808,396 0.943,397 1.047,399 1.814,400 0.798,401 1.757,402 1.083,403 3.191,404 1.352,405 0.575,406 0.652,408 1.532,409 0.393,410 1.266,411 0.51,412 3.019,413 1.185,414 0.224,415 0.23,417 0.555,418 0.212,419 1,420 0.51,421 2.724,422 0.65,423 -0.262,424 -0.284,426 -0.536,427 -0.229,428 0.846,429 0.347,430 2.653,431 0.473,432 -0.347,433 -0.445,435 -0.898,436 -0.233,437 0.68,438 0.309,439 2.525,440 0.295,441 -0.561,442 -0.661,444 -1.395,445 -0.324,446 14.033,447 0.501,448 1.004,449 0.036,450 28.75,451 1.027,452 10.5,453 0.375,454 18.25,455 0.652,456 32.632,457 1.165,458 32.167,459 0.684,460 20.758,461 0.741,462 5.046,463 0.18,464 8.122,465 0.29,466 0.249,467 0.036,468 0.314,469 3,471 0.575,472 1.05,473 0.539,474 0.842,475 0.556,476 0.863,477 0.474,478 0.826,479 0.591,480 0.811,481 0.324,482 0.859,483 0.564,484 0.828,485 0.906,486 1.014,487 0.46,488 0.95,489 0.679,490 0.975,491 0.608,492 0.85,493 0.632,494 0.744,495 0.656,496 0.755,497 0.819,498 1.034,499 0.82,500 1.05,501 0.786,502 0.999,503 0.74,504 0.937,505 0.801,506 0.838,507 1.535,508 1.56,509 0.931,510 1.158,511 1.712,512 1.048,513 1.652,514 1.72,515 0.867,516 1.06,517 1.839,518 0.935,519 8.5,520 0.167,521 3.167,522 2.75,523 2.034,524 0.994,525 1.026,526 0.796,527 0.403,528 0.218,529 8864,530 34240,531 1.964,532 40.4,533 7,534 8,537 1,539 3,541 1.716,542 1.778,543 3.275,544 -0.217,547 91.032,548 1.937,549 3.661,550 4.538,551 4.799,552 4.799,553 4.799,554 2.735,555 4.182,556 4.778,557 3.49,558 1319.4,559 8.342,560 17460.8,563 261.066,564 1.728,565 4.694,566 0.283,567 0.008,568 0.077,569 0.067,570 0.046,571 0.025,572 0.025,573 0.02,574 0.011,575 0.01,576 0.574,577 0.5,578 0.75,579 1.115,580 139.627,581 -0.038,582 -0.088,583 0.01,584 0.007,585 -0.054,586 0.009,587 0.328,588 0.184,589 0.123,590 0.091,591 0.47,592 0.047,593 0.113,594 -0.047,595 0.037,596 -0.04,597 0.111,598 0.037,599 0.106,600 -0.141,601 0.391,602 0.161,603 0.077,604 0.259,605 0.176,606 0.255,607 0.053,608 0.037,609 0.021,610 -0.073,611 -0.019,612 -0.097,613 0.092,614 0.094,615 -0.016,616 0.191,617 -0.26,618 -0.224,619 -0.112,620 -0.125,621 -0.265,622 -0.129,623 0.035,624 -0.286,625 0.083,626 -0.183,627 0.048,628 -0.064,629 5.781,630 5.551,631 0.5,632 25.429,633 1.034,634 1.145,635 5.248,636 27.543,637 0.711,638 3.434,639 3.807,640 3.951,641 4.22,642 4.357,643 4.466,644 4.522,645 4.663,646 4.673,647 4.635,648 6.284,649 0.674,650 472.82,651 3.434,652 5.004,653 5.844,654 6.746,655 7.607,656 8.511,657 9.382,658 10.286,659 11.163,660 12.066,661 6.4,664 1,668 1,670 1,673 2,674 1,676 1,677 7,679 11,681 1,685 3,686 47,687 11,688 1,689 30,690 49,691 18,692 9,693 4,694 2,696 3,697 3,698 3,701 2,702 2,703 1,704 1,705 3,706 9,707 9,708 1,715 3,716 19,717 6,718 1,719 10,720 4,722 3,725 1,734 1,735 1,736 1,746 1,749 3,751 1,752 1,753 3,754 3,755 28,758 6,759 1,762 1,763 1,764 1,765 1,767 6,774 15.75,775 8.674,776 6,777 3.031,778 2.023,779 1.288,780 0.971,781 7.276,782 9.041,783 3.597,784 4.186,785 4.636,786 5.177,787 5.535,788 5.77,789 5.973,790 6.359,791 6.646,792 6.918,793 0.857,794 41,795 10.905,796 5.169,797 8.176,798 19.399,799 16.193,800 2.676,801 74.917,804 211.88,805 98.61,806 37.921,807 117.446,809 44.88,810 31.278,811 67.332,812 329.326,813 82.801,814 8.825,815 13.921,816 18.952,817 16.786,818 82.531,819 1.358,820 243.158,821 125.205,822 211.88,823 105.253,824 44.88,825 148.724,826 176.567,827 80.194,829 54.898,830 33.569,831 134.231,832 31.278,833 256.76,834 37.921,835 216.056,836 219.639,837 63.073,838 30.902,839 18.011,840 179.112,841 211.88,842 82.801,843 216.056,844 0.595,845 0.311,846 0.168,847 0.087,848 21,849 11,850 0.163,851 8,853 1,854 3.837,855 239.141,857 14,858 121.851,859 1,860 22.261,861 9.152,862 6.282,864 82.801,865 2.935,866 3.795,868 0.97,869 0.463,871 18.011,872 510.737,873 35.5,877 48.611,878 53.833,879 0.349,880 0.659,881 0.817,882 0.864,883 0.864,884 0.864,885 4.888,886 1.758,887 5.894,888 5.313,889 4.489,890 4.871,891 3.121,892 6.756,893 4.242,894 6.129,895 1.096,896 7.498,897 5.225,898 4.443,899 4.924,900 3.911,901 7.947,902 3.986,903 7.468,904 0.943,905 9.209,906 3.024,907 6.201,908 7.035,909 5.425,910 10.942,911 5.738,912 8.835,913 0.575,914 10.981,915 1.814,916 6.858,917 7.804,918 6.69,919 12.9,920 6.184,921 10.229,922 0.224,923 12.793,924 1.532,925 8.218,926 9.512,927 8.058,928 15.532,929 7.515,930 11.643,931 -0.262,932 14.635,933 0.555,934 9.171,935 10.612,936 9.389,937 17.809,938 8.272,939 13.074,940 -0.347,941 16.501,942 -0.536,943 10.404,944 12.159,945 10.734,946 20.338,947 9.436,948 3.403,949 -0.561,950 18.385,951 -0.898,952 11.49,953 13.422,954 12.074,955 22.747,956 10.341,957 3.027,958 12.314,959 20.286,960 -1.395,961 12.686,962 14.898,963 13.416,964 25.25,965 11.434,966 2.769,967 9.872,968 22.2,969 4.159,970 13.831,971 16.239,972 14.758,973 27.713,974 12.41,975 2.576,976 8.245,977 24.125,978 4.044,979 15.021,980 17.683,981 16.1,982 30.213,983 13.474,984 2.285,985 7.71,986 26.059,987 3.047,988 16.197,989 19.061,990 17.441,991 32.7,992 14.487,993 2.096,994 6.563,995 28.001,996 2.793,997 17.391,998 20.489,999 18.783,1000 35.201,1001 15.54,1002 1.879,1003 5.957,1004 29.949,1005 2.735,1006 18.582,1007 21.886,1008 20.124,1009 37.699,1010 16.571,1011 8802,1012 17669,1013 18.898,1014 33.426,1015 45.642,1016 45.84,1017 47.177,1018 45.719,1019 45.262,1020 53.963,1021 10.628,1022 136.247,1023 39.29,1024 5.562,1025 6.473,1026 7.027,1027 5.413,1028 5.403,1029 7.159,1030 5.335,1031 19.895,1032 4.934,1033 17.98,1034 1.521,1035 1.528,1036 1.573,1037 1.524,1038 1.509,1039 1.799,1040 0.354,1041 4.542,1042 1.31,1043 3.997,1044 4.033,1045 4.274,1046 3.937,1047 8.513,1048 3.908,1049 3.909,1050 3.944,1051 4.129,1052 3.83,1053 7.999,1054 3.813,1055 3.825,1056 3.844,1057 3.791,1058 3.779,1059 7.999,1060 3.741,1061 3.612,1062 3.687,1063 3.592,1064 3.452,1065 5.085,1066 3.435,1067 3.276,1068 3.354,1069 3.582,1070 3.026,1071 4.767,1072 3.022,1073 3.222,1074 3.283,1075 3.453,1076 2.96,1077 4.632,1078 2.998,1079 2.943,1080 2.998,1081 3.418,1082 2.849,1083 4.619,1084 2.815,1085 2.901,1086 2.918,1087 3.054,1088 2.799,1089 4.349,1090 2.78,1091 0.153,1092 0.149,1093 0.242,1094 0.142,1095 0.113,1096 4.594,1097 0.139,1098 4.473,1099 0.128,1100 7.26,1101 0.41,1102 4.263,1103 0.098,1104 3.403,1105 4.159,1106 3.825,1107 12.314,1108 2.934,1109 1.868,1110 1.858,1111 1.955,1112 1.932,1113 1.261,1114 1.943,1115 1.733,1116 1.676,1117 1.873,1118 1.929,1119 1.056,1120 1.938,1121 1.524,1122 1.481,1123 1.739,1124 1.723,1125 1.038,1126 1.718,1127 1.388,1128 1.324,1129 1.553,1130 1.616,1131 0.903,1132 1.6,1133 1.292,1134 1.267,1135 1.513,1136 1.426,1137 0.825,1138 1.458,1139 1.153,1140 1.064,1141 1.343,1142 1.376,1143 0.5,1144 1.429,1145 1,1146 0.925,1147 1.261,1148 1.301,1149 0.387,1150 1.291,1151 0.849,1152 0.827,1153 1.088,1154 1.113,1155 0.273,1156 1.144,1157 4.111,1158 1.946,1159 5.468,1160 3.932,1161 6.991,1162 5.82,1163 8.597,1164 7.673,1165 10.247,1166 2.023,1167 18.136,1168 40.654,1171 4.976,1172 2.825,1175 0.595,1176 2.076,1177 -4.531,1178 31.679,1179 91.032,1180 172.046,1181 213.291,1182 225.556,1183 225.556,1184 225.556,1185 75.684,1186 7.018,1187 28.16,1188 56.4,1189 14,1190 12.591,1191 3.585,1192 2.7,1193 49.375,1194 105,1195 102,1196 0.231,1197 206.722,1198 363.23,1199 496.163,1200 9042,1201 12.8,1202 20.474,1203 0.731,1204 0.647,1205 19.828,1206 18.129,1207 13.168,1208 0.439,1209 0.361,1210 8.9,1211 11.328,1212 8.561,1213 7.018,1214 13.231,1215 10.829,1216 13.07,1217 0.297,1218 0.208,1219 12.894,1220 9.171,1221 8.928,1222 0.175,1223 0.114,1224 9.838,1225 5.806,1226 7.755,1227 0.116,1228 0.071,1229 9.27,1230 4.744,1231 5.486,1232 0.071,1233 0.038,1234 6.23,1235 2.907,1236 0.356,1237 96.296,1238 0.23,1239 26.503,1240 0.652,1241 148,1242 617.427,1243 244.555,1244 625.922,1245 788.53,1246 576,1247 172,1248 466.514,1249 246.526,1250 498.084,1251 755.11,1252 466,1253 5} {0 CHEMBL1790241,1 1.664,2 93.793,3 -13.351,4 178.244,5 1160.41,6 7.003,7 0.048,8 6.556,9 6.7,10 6.003,11 5.933,12 7.714,13 5.924,14 7.13,15 7.328,16 6.369,17 6.337,18 8.301,19 6.286,20 7.505,21 7.736,22 6.516,23 6.542,24 8.662,25 6.478,26 7.644,27 7.884,28 6.651,29 6.622,30 8.842,31 6.586,32 7.694,33 7.904,34 6.839,35 6.712,36 9.155,37 6.693,38 7.813,39 8.028,40 6.882,41 6.851,42 9.113,43 6.808,44 7.947,45 8.172,46 6.947,47 6.963,48 9.19,49 6.913,50 8.045,51 8.273,52 7.053,53 7.043,54 9.4,55 6.981,56 1.846,57 9.328,58 153.076,59 54.685,60 315.343,61 79.863,62 5.799,63 13.93,64 288.941,65 91.377,66 934.136,67 140.045,68 11.269,69 16.997,70 440.227,71 116.723,72 1660.58,73 183.036,74 12.864,75 18.44,76 515.188,77 119.401,78 2114.91,79 196.011,80 17.993,81 20.196,82 539.794,83 130.149,84 3253.09,85 207.474,86 17.677,87 22.91,88 602.876,89 157.259,90 2825.05,91 241.456,92 17.778,93 25.43,94 692.018,95 176.805,96 3141.82,97 276.496,98 22.785,99 27.583,100 770.152,101 196.902,102 4127.59,103 310.204,104 13182,105 449,106 0.175,107 0.361,108 0.538,109 0.667,110 0.757,111 0.809,112 5.796,113 0.997,114 -19.36,115 -18.54,116 -16.8,117 30.7,118 28,119 46,120 11,121 1,122 10,124 43,127 5,128 1,130 2,134 2,138 52,139 2,140 2,143 13,144 13,145 13,147 6,149 6,150 54,151 6,152 2,153 19,154 10,155 56,156 2,157 49,159 4,160 40,161 3,162 7,163 2,164 3,165 47,166 1,167 41,168 43,169 73,170 3,171 3,172 7,174 7,177 70,178 3,180 11,181 9,182 57,183 6,184 1,185 1,187 6,190 48,191 54,192 7,193 2,194 61,195 13,196 64,197 2,198 5,199 33,201 5,203 18,204 64,205 3,206 6,207 64,208 50,209 71,210 3,211 8,212 53,213 6,215 2,217 9,218 83,219 3,220 6,221 22,222 15,223 65,224 6,225 7,226 56,227 13,228 3,231 47,232 79,233 7,234 9,235 68,236 18,237 94,238 2,239 11,240 64,241 12,243 10,245 1,246 19,247 85,248 4,249 12,250 69,251 49,252 93,253 4,254 7,255 66,256 7,258 9,259 1,261 1232900,262 208.322,263 208.322,264 208.322,265 208.322,266 208.322,267 197.933,268 221.579,269 123.733,270 210.575,271 162.847,272 162.847,273 162.847,274 162.847,275 162.847,276 144.866,277 206.914,278 58.151,279 165.858,280 7.717,281 5.946,282 4.262,283 3.035,284 2.18,285 1.683,286 6.465,291 62096,292 20.31,294 5976.86,295 1785.7,298 15.113,299 900.31,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 748.5,310 30764,311 4.353,312 4.093,313 6.868,314 4.205,315 3.241,316 3.509,317 2.95,318 11.361,319 3.12,320 4.177,321 4.011,322 6.553,323 4.023,324 3.046,325 3.508,326 2.341,327 10.246,328 2.974,329 4.172,330 3.888,331 6.431,332 4.011,333 3.03,334 3.507,335 2.341,336 9.828,337 2.971,338 4.165,339 3.883,340 6.403,341 4.009,342 3.026,343 3.474,344 2.341,345 9.734,346 2.968,347 4.16,348 3.882,349 6.402,350 4.008,351 3.024,352 3.332,353 2.341,354 9.724,355 2.96,356 4.151,357 3.878,358 6.402,359 3.992,360 3.012,361 3.329,362 2.341,363 9.712,364 2.942,365 4.145,366 3.875,367 6.398,368 3.97,369 2.987,370 3.324,371 2.341,372 9.701,373 2.927,374 4.133,375 3.873,376 6.248,377 3.964,378 2.981,379 3.315,380 2.038,381 9.37,382 2.923,383 4.129,384 3.865,385 6.246,386 3.959,387 2.975,388 3.312,389 2.013,390 9.365,391 2.917,392 4.117,393 3.859,394 6.229,395 3.946,396 2.964,397 3.302,398 2.012,399 9.294,400 2.905,401 4.11,402 3.853,403 6.223,404 3.945,405 2.962,406 3.299,407 2.011,408 9.281,409 2.9,410 4.096,411 3.842,412 6.22,413 3.925,414 2.94,415 3.282,416 2.01,417 9.27,418 2.886,419 4.086,420 3.837,421 6.196,422 3.917,423 2.932,424 3.275,425 2.008,426 9.176,427 2.877,428 4.073,429 3.823,430 6.19,431 3.901,432 2.916,433 3.267,434 2.007,435 9.168,436 2.863,437 4.065,438 3.816,439 6.175,440 3.893,441 2.908,442 3.258,443 2.004,444 9.104,445 2.856,446 147.933,447 0.451,448 10.546,449 0.032,450 303.5,451 0.925,452 95,453 0.29,454 208.5,455 0.636,456 881.618,457 2.688,458 403.467,459 0.605,460 713.806,461 2.176,462 58.238,463 0.178,464 95.56,465 0.291,466 0.275,468 0.381,471 0.813,472 1.629,473 0.91,474 1.339,475 0.676,476 1.161,477 0.527,478 1.488,479 0.885,480 1.373,481 0.507,482 1.213,483 0.949,484 1.071,485 1.018,486 1.086,487 0.981,488 1.079,489 1.211,490 1.053,491 0.969,492 0.917,493 1.175,494 0.886,495 1.014,496 1.118,497 0.952,498 1.006,499 1.017,500 0.973,501 1.081,502 1.011,503 1.045,504 1.038,505 1.12,506 1.046,507 1.186,508 1.102,509 1.051,510 1.052,511 1.176,512 1.03,513 0.946,514 1.109,515 0.989,516 1.088,517 0.945,518 1.054,519 86,520 6.851,521 40.667,522 23.243,523 24.711,524 15.809,525 11.909,526 12.385,527 8.705,528 6.475,529 9397440,530 29004200,531 1.842,532 50.8,533 82,534 71,535 2,536 2,537 77,538 26,539 77,540 2,541 2.203,542 1.659,543 6.418,544 58.009,547 1110.21,548 1.664,549 3.436,550 5.12,551 6.347,552 7.201,553 7.699,554 5.925,555 8.111,556 8.326,557 6.688,558 358644,559 15.382,560 35782800,563 6257.49,564 1.584,565 8.235,566 0.259,567 0.008,568 0.091,569 0.047,570 0.043,571 0.023,572 0.017,573 0.016,574 0.011,575 0.008,576 0.522,577 0.17,578 0.25,579 2.229,580 3128.69,581 -0.125,582 -0.108,583 -0.014,584 0.01,585 -0.071,586 0.026,587 0.17,588 -0.186,589 0.046,590 -0.147,591 0.111,592 -0.086,593 -0.013,594 0.039,595 -0.046,596 -0.044,597 -0.084,598 -0.057,599 -0.149,600 -0.018,601 0.031,602 0.061,603 -0.118,604 0.096,605 0.125,606 -0.019,607 0.059,608 0.015,609 0.148,610 0.022,611 -0.007,612 0.1,613 -0.05,614 0.002,615 -0.036,616 -0.036,617 -0.122,618 -0.034,619 -0.055,620 -0.011,621 -0.089,622 -0.015,623 0.084,624 -0.054,625 0.011,626 -0.045,627 0.095,628 -0.038,629 3.595,630 8.475,631 0.079,632 2565.35,633 1.016,634 1.151,635 -24.126,636 582.074,637 0.602,638 5.808,639 6.109,640 6.254,641 6.425,642 6.583,643 6.639,644 6.73,645 6.829,646 6.828,647 6.851,648 52.004,649 0.578,650 4671.1,651 5.808,652 7.354,653 8.16,654 9.017,655 9.85,656 10.708,657 11.553,658 12.413,659 13.265,660 14.126,661 8.8,662 7,667 46,668 2,669 2,670 2,673 9,674 2,675 2,677 3,679 16,686 667,687 70,688 1,689 332,690 671,691 205,692 12,693 1,694 5,696 5,697 5,699 2,701 33,702 6,705 89,706 66,707 139,708 11,709 54,710 52,711 2,712 54,716 339,717 120,718 77,719 123,720 1,721 2,722 59,725 1,726 63,727 3,728 2,733 2,735 4,736 1,740 6,741 38,742 2,743 6,744 7,747 11,749 5,750 1,751 1,752 29,755 328,756 13,757 11,758 56,759 38,761 1,762 54,763 2,768 9.4,769 5,770 6,771 52,774 197.667,775 118.817,776 74.306,777 39.936,778 0.555,779 1.049,780 0.867,781 139.966,782 11.924,783 5.979,784 6.368,785 6.565,786 6.799,787 7.052,788 7.023,789 7.14,790 7.343,791 7.311,792 7.341,793 1,794 496,795 129.07,796 59.976,797 8.326,798 223.917,799 179.058,800 2.826,801 926.833,804 3084.03,805 733.722,806 1219.03,808 1777.05,810 32.22,811 701.502,812 4861.08,813 1219.03,814 254.296,815 1248.44,816 278.893,817 1859.86,818 75.841,819 27.34,820 3069.16,822 3084.03,823 1920.54,824 1777.05,825 32.22,826 2154.11,827 2493.55,828 213.417,829 1585.44,830 301.523,831 33.571,832 32.22,833 3084.03,834 2996.09,835 733.722,836 3084.03,837 396.712,838 343.258,839 717.98,840 2271.86,841 3084.03,842 2996.09,843 733.722,844 0.577,845 0.313,846 0.157,847 0.091,848 128,849 113,850 0.237,851 159,853 1,854 18.408,855 6090.89,857 26,858 2703.28,859 1,860 296.507,861 154.832,862 113.563,864 2962.52,865 12.724,866 8.346,867 5.372,869 0.435,871 1615.16,872 6813.84,873 394,874 738.187,875 7.898,876 -64.749,877 677.406,878 767.64,879 0.177,880 0.366,881 0.546,882 0.677,883 0.768,884 0.821,885 7.253,886 2.981,887 8.164,888 9.701,889 6.801,890 7.06,891 5.926,892 8.937,893 6.768,894 8.414,895 2.975,896 9.718,897 9.37,898 6.521,899 6.933,900 5.456,901 9.804,902 6.5,903 9.689,904 2.964,905 11.368,906 9.365,907 8.374,908 8.884,909 7.144,910 12.843,911 8.305,912 10.983,913 2.962,914 13.071,915 9.294,916 8.832,917 9.484,918 7.204,919 14.477,920 8.772,921 12.304,922 2.94,923 14.808,924 9.281,925 10.207,926 10.965,927 8.595,928 17.054,929 10.103,930 13.64,931 2.932,932 16.568,933 9.27,934 10.99,935 11.867,936 8.772,937 19.022,938 10.885,939 14.989,940 2.916,941 18.345,942 9.176,943 12.185,944 13.18,945 10.233,946 21.424,947 12.042,948 3.241,949 2.908,950 20.134,951 9.168,952 13.122,953 14.219,954 10.303,955 23.555,956 12.969,957 3.046,958 11.361,959 21.933,960 9.104,961 14.245,962 15.467,963 12.039,964 25.89,965 14.06,966 3.03,967 10.246,968 23.739,969 3.509,970 15.258,971 16.572,972 11.836,973 28.108,974 15.055,975 3.026,976 9.828,977 25.553,978 3.508,979 16.354,980 17.795,981 13.981,982 30.425,983 16.122,984 3.024,985 9.734,986 27.371,987 3.507,988 17.405,989 18.935,990 13.386,991 32.695,992 17.151,993 3.012,994 9.724,995 29.194,996 3.474,997 18.494,998 20.15,999 16.014,1000 35.016,1001 18.212,1002 2.987,1003 9.712,1004 31.021,1005 3.332,1006 19.565,1007 21.312,1008 14.96,1009 37.322,1010 19.259,1011 9353660,1012 16433800,1013 200.389,1014 401.213,1015 495.614,1016 527.918,1017 516.292,1018 486.261,1019 486.729,1020 555.345,1021 238.819,1022 1355.17,1023 479.253,1024 5.353,1025 6.093,1026 6.777,1027 5.273,1028 5.241,1029 6.509,1030 5.9,1031 19.072,1032 5.12,1033 347.502,1034 1.493,1035 1.59,1036 1.555,1037 1.465,1038 1.466,1039 1.673,1040 0.719,1041 4.082,1042 1.444,1043 4.422,1044 4.482,1045 4.305,1046 4.218,1047 7.567,1048 4.228,1049 3.948,1050 3.997,1051 3.877,1052 3.848,1053 7.472,1054 3.843,1055 3.932,1056 3.988,1057 3.869,1058 3.769,1059 7.472,1060 3.785,1061 3.917,1062 3.975,1063 3.864,1064 3.738,1065 7.472,1066 3.76,1067 3.909,1068 3.951,1069 3.845,1070 3.73,1071 7.472,1072 3.751,1073 3.884,1074 3.932,1075 3.839,1076 3.708,1077 7.472,1078 3.721,1079 3.878,1080 3.925,1081 3.808,1082 3.701,1083 7.464,1084 3.715,1085 3.876,1086 3.923,1087 3.805,1088 3.696,1089 7.435,1090 3.71,1091 0.013,1092 0.012,1093 0.021,1094 0.013,1095 0.01,1096 4.353,1097 0.011,1098 4.093,1099 0.009,1100 6.868,1101 0.034,1102 4.205,1103 0.009,1104 3.241,1105 3.509,1106 2.95,1107 11.361,1108 3.12,1109 1.927,1110 1.897,1111 2.057,1112 2.041,1113 1.343,1114 2.041,1115 1.832,1116 1.783,1117 2.03,1118 2.032,1119 1.334,1120 2.025,1121 1.831,1122 1.783,1123 2.028,1124 2.031,1125 1.331,1126 2.023,1127 1.822,1128 1.773,1129 2.021,1130 2.024,1131 1.325,1132 2.014,1133 1.82,1134 1.772,1135 2.019,1136 2.021,1137 1.324,1138 2.012,1139 1.815,1140 1.766,1141 2.016,1142 2.017,1143 1.32,1144 2.011,1145 1.812,1146 1.763,1147 2.014,1148 2.013,1149 1.32,1150 2.005,1151 1.806,1152 1.757,1153 2.013,1154 2.008,1155 1.317,1156 1.999,1157 6.5,1159 7.808,1160 3.714,1161 9.262,1162 5.9,1163 10.789,1164 7.832,1165 12.361,1166 42.896,1169 73.04,1170 115.288,1171 -23.523,1172 91.714,1174 1.091,1175 -84.157,1176 2.271,1178 385.234,1179 1110.21,1180 2291.76,1181 3415.06,1182 4233.2,1183 4803.28,1184 5134.99,1185 9981.31,1186 11.368,1187 1994.13,1188 2019.43,1189 26,1190 14.678,1191 6.15,1192 5.977,1193 2281.11,1194 10426,1195 10370,1196 0.099,1197 2425.42,1198 4520.8,1199 5909.78,1200 4412260,1202 248.022,1203 0.756,1204 0.582,1205 248.376,1206 191.033,1207 153.798,1208 0.463,1209 0.332,1210 107.158,1211 145.392,1212 104.328,1213 86.927,1214 154.401,1215 110.324,1216 141.904,1217 0.316,1218 0.191,1219 142.331,1220 85.829,1221 100.902,1222 0.194,1223 0.102,1224 101.181,1225 53.011,1226 76.174,1227 0.124,1228 0.056,1229 76.407,1230 34.664,1231 59.665,1232 0.083,1233 0.031,1234 59.939,1235 22.187,1236 0.169,1237 988.872,1238 0.071,1239 173.793,1240 0.242,1241 1562,1242 5637,1243 1820.88,1244 5274.57,1245 6648.61,1246 4822,1247 1749,1248 4389.12,1249 1981.63,1250 4352.2,1251 6257.79,1252 4074,1253 7.136} {0 CHEMBL1791094,1 1.646,2 72.059,3 -7.395,4 54.689,5 903.323,6 6.928,7 0.062,8 6.303,9 6.451,10 5.738,11 5.68,12 7.456,13 5.67,14 6.873,15 7.075,16 6.096,17 6.08,18 8.042,19 6.025,20 7.247,21 7.486,22 6.235,23 6.283,24 8.379,25 6.214,26 7.38,27 7.623,28 6.355,29 6.369,30 8.533,31 6.325,32 7.447,33 7.667,34 6.557,35 6.462,36 8.853,37 6.434,38 7.561,39 7.782,40 6.613,41 6.588,42 8.865,43 6.543,44 7.684,45 7.915,46 6.669,47 6.704,48 8.911,49 6.65,50 7.787,51 8.02,52 6.795,53 6.803,54 9.099,55 6.74,56 1.317,57 7.283,58 119.229,59 41.838,60 227.48,61 62.235,62 4.292,63 10.78,64 220.902,65 70.529,66 696.592,67 109.155,68 8.234,69 13.108,70 339.224,71 89.464,72 1229.77,73 142.39,74 8.948,75 14.303,76 392.222,77 92.268,78 1487.52,79 152.427,80 12.849,81 15.698,82 419.151,83 101.896,84 2307.48,85 164.421,86 13.64,87 17.653,88 468.745,89 119.902,90 2173.77,91 187.324,92 13.179,93 19.694,94 529.019,95 134.729,96 2353.46,97 213.936,98 16.025,99 21.744,100 585.389,101 153.276,102 2882.72,103 243.898,104 6967,105 342,106 0.18,107 0.371,108 0.544,109 0.671,110 0.753,111 0.806,112 5.541,113 0.994,114 -11.34,115 -10.92,116 -9.98,117 30.8,118 19,119 44,120 7,122 6,124 30,127 5,128 1,130 2,134 2,138 39,139 3,140 2,143 12,144 12,145 12,147 5,149 5,150 48,151 5,153 14,154 10,155 47,156 3,157 40,159 6,160 31,161 5,162 5,163 3,165 40,166 1,167 30,168 31,169 67,171 2,172 9,174 5,177 55,180 4,181 2,182 50,183 5,184 1,185 2,187 11,190 32,191 42,192 5,193 2,194 45,195 11,196 54,197 5,198 3,199 29,201 10,203 14,204 47,205 5,206 4,207 51,208 42,209 60,211 5,212 51,215 2,217 11,218 58,220 4,221 16,222 10,223 41,224 5,225 8,226 54,227 10,228 3,231 31,232 66,233 5,234 9,235 55,236 18,237 67,238 5,239 11,240 59,241 12,243 7,246 14,247 72,248 5,249 10,250 57,251 41,252 82,254 5,255 59,256 5,257 1,258 7,261 583824,262 162.376,263 162.376,264 162.376,265 162.376,266 162.376,267 153.446,268 174.421,269 97.448,270 163.953,271 126.165,272 126.165,273 126.165,274 126.165,275 126.165,276 111.171,277 164.337,278 46,279 128.312,280 7.374,281 5.62,282 4.034,283 2.871,284 2.12,285 1.641,286 6.211,291 36884,292 17.073,294 2293,295 1391.57,298 11.65,299 665.137,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 577.5,310 18303,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.88,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.145,330 3.873,331 6.293,332 3.97,333 2.987,334 3.466,335 2.341,336 9.364,337 2.927,338 4.14,339 3.87,340 6.246,341 3.967,342 2.983,343 3.326,344 2.341,345 9.357,346 2.926,347 4.133,348 3.863,349 6.243,350 3.962,351 2.978,352 3.325,353 2.341,354 9.31,355 2.92,356 4.122,357 3.856,358 6.235,359 3.949,360 2.965,361 3.306,362 2.013,363 9.303,364 2.907,365 4.11,366 3.846,367 6.22,368 3.936,369 2.952,370 3.303,371 2.012,372 9.24,373 2.895,374 4.097,375 3.837,376 6.207,377 3.924,378 2.939,379 3.289,380 2.011,381 9.211,382 2.885,383 4.083,384 3.825,385 6.196,386 3.907,387 2.921,388 3.281,389 2.009,390 9.174,391 2.869,392 4.073,393 3.812,394 6.175,395 3.895,396 2.91,397 3.267,398 2.006,399 9.115,400 2.859,401 4.057,402 3.8,403 6.169,404 3.883,405 2.897,406 3.259,407 2.003,408 9.091,409 2.848,410 4.025,411 3.783,412 6.157,413 3.859,414 2.871,415 3.238,416 2,417 9.055,418 2.83,419 4.015,420 3.769,421 6.107,422 3.838,423 2.85,424 3.213,425 1.996,426 8.869,427 2.806,428 3.994,429 3.752,430 6.097,431 3.814,432 2.825,433 3.2,434 1.991,435 8.848,436 2.785,437 3.971,438 3.735,439 6.077,440 3.802,441 2.812,442 3.181,443 1.986,444 8.782,445 2.775,446 114.6,447 0.451,448 7.694,449 0.03,450 238.25,451 0.938,452 77,453 0.303,454 161.25,455 0.635,456 628.5,457 2.474,458 311.4,459 0.6,460 515.518,461 2.03,462 46.061,463 0.181,464 73.503,465 0.289,466 0.256,468 0.358,471 0.813,472 1.626,473 0.924,474 1.346,475 0.669,476 1.161,477 0.497,478 1.473,479 0.869,480 1.383,481 0.483,482 1.233,483 0.951,484 1.057,485 1.017,486 1.073,487 0.976,488 1.061,489 1.25,490 1.066,491 1.022,492 0.949,493 1.196,494 0.921,495 1.017,496 1.118,497 0.954,498 1.021,499 1.033,500 0.975,501 1.097,502 1.008,503 1.057,504 1.036,505 1.147,506 1.039,507 1.177,508 1.077,509 1.054,510 1.034,511 1.16,512 1.014,513 0.908,514 1.12,515 0.967,516 1.103,517 0.921,518 1.057,519 64,520 5.217,521 30.444,522 16.632,523 18.141,524 12.063,525 8.479,526 9.24,527 6.821,528 4.859,529 4363620,530 13024800,531 1.853,532 51.1,533 68,534 47,535 2,536 2,537 62,538 22,539 62,541 2.163,542 1.678,543 6.03,544 46.479,547 854.195,548 1.646,549 3.399,550 4.986,551 6.149,552 6.9,553 7.379,554 5.513,555 7.749,556 7.959,557 6.304,558 202543,559 14.656,560 15883300,563 4681.17,564 1.578,565 7.874,566 0.249,567 0.008,568 0.089,569 0.044,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.505,577 0.17,578 0.38,579 2.346,580 2293.95,581 -0.125,582 -0.103,583 -0.018,584 0.007,585 -0.068,586 0.026,587 0.194,588 -0.174,589 0.051,590 -0.16,591 0.128,592 -0.104,593 -0.015,594 0.042,595 -0.034,596 -0.027,597 -0.08,598 -0.038,599 -0.19,600 -0.023,601 -0.01,602 0.047,603 -0.145,604 0.068,605 0.111,606 -0.031,607 0.065,608 0.007,609 0.119,610 0.025,611 0.013,612 0.089,613 -0.043,614 0.002,615 -0.022,616 -0.033,617 -0.112,618 -0.01,619 -0.049,620 0.009,621 -0.072,623 0.095,624 -0.051,625 0.025,626 -0.048,627 0.094,628 -0.032,629 3.502,630 7.947,631 0.134,632 1511.22,633 1.014,634 1.152,635 -16.107,636 259.427,637 0.601,638 5.553,639 5.838,640 5.969,641 6.118,642 6.284,643 6.337,644 6.422,645 6.529,646 6.529,647 6.548,648 40.205,649 0.576,650 3595.74,651 5.553,652 7.089,653 7.887,654 8.734,655 9.558,656 10.406,657 11.242,658 12.092,659 12.935,660 13.786,661 9.4,662 8,667 34,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 519,687 58,688 1,689 257,690 522,691 160,692 12,693 1,694 5,696 4,697 4,699 3,701 21,702 9,705 74,706 54,707 106,708 7,709 42,710 39,711 3,712 42,716 265,717 92,718 62,719 94,721 2,722 49,725 1,726 45,727 1,735 2,736 1,740 4,741 30,743 5,744 8,747 6,749 4,752 19,755 254,756 12,757 6,758 50,759 30,762 37,768 8.7,769 1,770 5,771 39,774 151.333,775 91.283,776 57.833,777 31.631,778 0.664,779 1.061,780 0.878,781 110.678,782 11.603,783 5.73,784 6.116,785 6.305,786 6.528,787 6.777,788 6.76,789 6.881,790 7.075,791 7.042,792 7.048,793 0.979,794 377,795 99.423,796 45.517,797 8.285,798 173.839,799 138.263,800 2.785,801 707.333,804 2389.53,805 551.344,806 1052.59,808 1236.75,811 551.344,812 3626.29,813 1052.59,814 167.679,815 1057.14,816 108.159,817 1432.93,818 92.627,819 29.239,820 2342.45,822 2389.53,823 1603.93,824 1236.75,826 1659.72,827 1923.88,828 42.683,829 1331.49,830 238.866,831 33.571,833 2389.53,834 2289.34,835 551.344,836 2389.53,837 300.952,838 250.392,839 573.894,840 1715.45,841 2389.53,842 2289.34,843 551.344,844 0.573,845 0.308,846 0.152,847 0.089,848 94,849 82,850 0.226,851 118,853 1,854 15.306,855 4398.01,857 34,858 1986.37,860 228.634,861 122.957,862 92.516,864 2255.77,865 14.114,866 8.329,867 5.449,869 1.117,871 1224.76,872 5230.22,873 307,874 552.847,875 11.798,876 -47.346,877 526.145,878 597.681,879 0.182,880 0.377,881 0.553,882 0.682,883 0.765,884 0.818,885 6.992,886 2.939,887 7.879,888 9.24,889 6.529,890 6.808,891 5.606,892 8.63,893 6.498,894 8.147,895 2.921,896 9.418,897 9.211,898 6.201,899 6.643,900 5.187,901 9.452,902 6.182,903 9.416,904 2.91,905 11.054,906 9.174,907 8.08,908 8.634,909 6.742,910 12.478,911 8.015,912 10.705,913 2.897,914 12.743,915 9.115,916 8.497,917 9.2,918 6.934,919 14.067,920 8.445,921 12.021,922 2.871,923 14.466,924 9.091,925 9.885,926 10.711,927 8.044,928 16.62,929 9.79,930 13.351,931 2.85,932 16.212,933 9.055,934 10.635,935 11.584,936 8.508,937 18.537,938 10.545,939 14.694,940 2.825,941 17.975,942 8.869,943 11.831,944 12.917,945 9.437,946 20.903,947 11.706,948 3.045,949 2.812,950 19.75,951 8.848,952 12.741,953 13.933,954 10.047,955 22.973,956 12.613,957 3.023,958 9.946,959 21.533,960 8.782,961 13.857,962 15.194,963 10.895,964 25.259,965 13.7,966 2.987,967 9.719,968 23.324,969 3.508,970 14.846,971 16.28,972 11.589,973 27.405,974 14.679,975 2.983,976 9.364,977 25.12,978 3.507,979 15.93,980 17.513,981 12.405,982 29.656,983 15.739,984 2.978,985 9.357,986 26.921,987 3.466,988 16.958,989 18.638,990 13.15,991 31.842,992 16.753,993 2.965,994 9.31,995 28.726,996 3.326,997 18.032,998 19.859,999 13.957,1000 34.08,1001 17.805,1002 2.952,1003 9.303,1004 30.533,1005 3.325,1006 19.081,1007 21.008,1008 14.733,1009 36.287,1010 18.837,1011 4350980,1012 7519630,1013 156.628,1014 311.963,1015 380.168,1016 400.457,1017 393.588,1018 373.394,1019 373.553,1020 429.855,1021 177.804,1022 1022.81,1023 368.25,1024 5.17,1025 5.88,1026 6.377,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 251.351,1034 1.479,1035 1.558,1036 1.531,1037 1.453,1038 1.454,1039 1.673,1040 0.692,1041 3.98,1042 1.433,1043 4.296,1044 4.356,1045 4.184,1046 4.101,1047 7.533,1048 4.111,1049 3.93,1050 3.988,1051 3.866,1052 3.844,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.853,1058 3.738,1059 7.472,1060 3.76,1061 3.906,1062 3.945,1063 3.834,1064 3.731,1065 7.472,1066 3.752,1067 3.886,1068 3.933,1069 3.81,1070 3.711,1071 7.472,1072 3.724,1073 3.881,1074 3.928,1075 3.807,1076 3.7,1077 7.462,1078 3.714,1079 3.869,1080 3.918,1081 3.793,1082 3.696,1083 7.435,1084 3.709,1085 3.868,1086 3.917,1087 3.792,1088 3.692,1089 7.435,1090 3.704,1091 0.016,1092 0.015,1093 0.025,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.039,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.344,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.033,1119 1.344,1120 2.026,1121 1.831,1122 1.783,1123 2.028,1124 2.029,1125 1.337,1126 2.023,1127 1.823,1128 1.774,1129 2.025,1130 2.027,1131 1.331,1132 2.016,1133 1.823,1134 1.773,1135 2.022,1136 2.02,1137 1.327,1138 2.015,1139 1.817,1140 1.769,1141 2.008,1142 2.017,1143 1.327,1144 2.014,1145 1.805,1146 1.757,1147 2.006,1148 2.012,1149 1.317,1150 2.003,1151 1.793,1152 1.745,1153 2.001,1154 1.999,1155 1.304,1156 1.99,1157 6.244,1159 7.541,1160 3.045,1161 8.982,1162 5.13,1163 10.494,1164 6.952,1165 12.049,1166 29.883,1169 68.502,1170 61.12,1171 -17.454,1172 74.168,1175 -55.194,1178 299.109,1179 854.195,1180 1764.32,1181 2587.54,1182 3191.35,1183 3581.14,1184 3829.5,1185 6883.69,1186 10.938,1187 1554.69,1188 1554.69,1189 34,1190 14.345,1191 5.883,1192 5.672,1193 1716.67,1194 6235,1195 6252,1196 0.125,1197 1885.28,1198 3499.61,1199 4591.84,1200 2251910,1202 191.225,1203 0.753,1204 0.579,1205 191.225,1206 147.183,1207 119.564,1208 0.465,1209 0.331,1210 83.684,1211 113.6,1212 81.774,1213 68.193,1214 119.564,1215 85.113,1216 108.82,1217 0.318,1218 0.189,1219 108.82,1220 64.643,1221 77.503,1222 0.199,1223 0.104,1224 77.503,1225 40.63,1226 57.208,1227 0.126,1228 0.057,1229 57.208,1230 26.036,1231 45.3,1232 0.085,1233 0.032,1234 45.3,1235 16.949,1236 0.211,1237 762.59,1238 0.08,1239 144.796,1240 0.31,1241 1198,1242 4267.21,1243 1382.13,1244 3994.44,1245 5049.44,1246 3652,1247 1331,1248 3362.51,1249 1496.27,1250 3330.09,1251 4771.44,1252 3121,1253 7.222} {0 CHEMBL1791095,1 1.63,2 72.357,3 -4.915,4 24.154,5 893.594,6 6.84,7 0.063,8 6.293,9 6.442,10 5.718,11 5.672,12 7.429,13 5.658,14 6.866,15 7.071,16 6.076,17 6.073,18 8.009,19 6.014,20 7.238,21 7.479,22 6.219,23 6.277,24 8.359,25 6.204,26 7.375,27 7.622,28 6.338,29 6.362,30 8.517,31 6.314,32 7.436,33 7.657,34 6.535,35 6.452,36 8.834,37 6.42,38 7.551,39 7.775,40 6.583,41 6.577,42 8.829,43 6.528,44 7.672,45 7.904,46 6.639,47 6.691,48 8.876,49 6.632,50 7.771,51 8.006,52 6.762,53 6.789,54 9.071,55 6.718,56 1.151,57 7.227,58 119.547,59 41.841,60 201.841,61 62.606,62 4.007,63 10.719,64 221.031,65 70.309,66 641.144,67 109.218,68 7.738,69 13.052,70 336.162,71 89.365,72 1135.98,73 142.466,74 8.407,75 14.217,76 390.621,77 92.266,78 1391.45,79 152.854,80 12.256,81 15.574,82 415.463,83 101.136,84 2223.24,85 163.746,86 12.802,87 17.49,88 465.322,89 119.059,90 2014.38,91 186.712,92 12.24,93 19.454,94 522.896,95 133.62,96 2164.64,97 212.603,98 15.108,99 21.464,100 576.518,101 151.698,102 2733.69,103 242.115,104 6680,105 336,106 0.178,107 0.368,108 0.541,109 0.669,110 0.752,111 0.805,112 5.522,113 1.003,114 -10.22,115 -9.86,116 -9.03,117 30.9,118 22,119 41,120 8,122 6,124 30,127 5,128 1,130 2,134 2,138 37,139 3,140 2,143 11,144 11,145 11,147 4,149 4,150 49,151 4,153 12,154 9,155 45,156 3,157 38,159 6,160 34,161 4,162 4,163 3,165 38,166 1,167 30,168 31,169 64,171 2,172 9,174 4,177 54,180 4,181 2,182 51,183 4,184 1,185 2,187 11,190 32,191 43,192 4,193 2,194 43,195 9,196 56,197 4,198 2,199 29,201 10,203 12,204 49,205 4,206 3,207 47,208 40,209 59,211 4,212 49,215 2,217 9,218 57,220 3,221 14,222 10,223 42,224 4,225 8,226 56,227 8,228 3,231 31,232 63,233 4,234 9,235 53,236 16,237 65,238 4,239 10,240 61,241 9,243 5,246 12,247 69,248 4,249 9,250 53,251 39,252 77,254 4,255 57,256 5,258 5,261 553615,262 159.1,263 159.1,264 159.1,265 159.1,266 159.1,267 150.585,268 167.936,269 95.358,270 160.704,271 123.688,272 123.688,273 123.688,274 123.688,275 123.688,276 109.329,277 157.922,278 44.977,279 125.871,280 7.379,281 5.647,282 4.06,283 2.89,284 2.135,285 1.65,286 6.191,291 36312,292 16.897,294 2251.2,295 1360.92,298 11.579,299 629.032,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 564,310 18017,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.88,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.145,330 3.872,331 6.293,332 3.97,333 2.987,334 3.466,335 2.341,336 9.364,337 2.927,338 4.139,339 3.869,340 6.246,341 3.967,342 2.983,343 3.326,344 2.341,345 9.357,346 2.926,347 4.13,348 3.863,349 6.243,350 3.959,351 2.976,352 3.325,353 2.013,354 9.304,355 2.918,356 4.12,357 3.855,358 6.226,359 3.947,360 2.964,361 3.304,362 2.012,363 9.277,364 2.906,365 4.109,366 3.846,367 6.218,368 3.935,369 2.951,370 3.302,371 2.011,372 9.238,373 2.895,374 4.095,375 3.836,376 6.207,377 3.923,378 2.938,379 3.289,380 2.009,381 9.211,382 2.884,383 4.082,384 3.824,385 6.192,386 3.905,387 2.92,388 3.279,389 2.006,390 9.159,391 2.868,392 4.072,393 3.811,394 6.173,395 3.894,396 2.909,397 3.267,398 2.003,399 9.108,400 2.858,401 4.055,402 3.799,403 6.163,404 3.88,405 2.894,406 3.259,407 2,408 9.068,409 2.846,410 4.025,411 3.783,412 6.15,413 3.859,414 2.871,415 3.235,416 1.996,417 9.008,418 2.83,419 4.015,420 3.768,421 6.107,422 3.838,423 2.851,424 3.212,425 1.991,426 8.872,427 2.806,428 3.994,429 3.752,430 6.096,431 3.813,432 2.824,433 3.199,434 1.986,435 8.847,436 2.785,437 3.969,438 3.734,439 6.078,440 3.802,441 2.812,442 3.181,443 1.981,444 8.789,445 2.776,446 112.7,447 0.453,448 7.587,449 0.03,450 231.75,451 0.931,452 74,453 0.297,454 157.75,455 0.634,456 617.879,457 2.481,458 305.5,459 0.593,460 488.679,461 1.963,462 44.301,463 0.178,464 72.869,465 0.293,466 0.261,468 0.359,471 0.808,472 1.635,473 0.934,474 1.357,475 0.663,476 1.175,477 0.503,478 1.464,479 0.873,480 1.369,481 0.488,482 1.223,483 0.945,484 1.063,485 1.016,486 1.082,487 0.972,488 1.065,489 1.267,490 1.058,491 1.015,492 0.941,493 1.216,494 0.911,495 1.038,496 1.123,497 0.964,498 1.024,499 1.051,500 0.978,501 1.141,502 1.007,503 1.074,504 1.033,505 1.194,506 1.04,507 1.218,508 1.075,509 1.065,510 1.03,511 1.209,512 1.013,513 0.908,514 1.125,515 0.975,516 1.109,517 0.916,518 1.065,519 63,520 4.969,521 30,522 16.632,523 17.981,524 11.729,525 8.397,526 9.052,527 6.5,528 4.759,529 4221920,530 12339900,531 1.852,532 51.7,533 75,534 47,535 2,536 2,537 59,538 18,539 63,541 2.159,542 1.677,543 6.033,544 43.858,547 839.332,548 1.63,549 3.361,550 4.948,551 6.119,552 6.874,553 7.358,554 5.508,555 7.748,556 7.931,557 6.313,558 194922,559 14.595,560 15292800,563 4639.34,564 1.579,565 7.844,566 0.25,567 0.008,568 0.089,569 0.045,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.508,577 0.17,578 0.38,579 2.333,580 2245.52,581 -0.119,582 -0.111,583 -0.015,585 -0.066,586 0.021,587 0.193,588 -0.169,589 0.056,590 -0.15,591 0.122,592 -0.094,593 -0.001,594 0.039,595 -0.029,596 -0.034,597 -0.071,598 -0.041,599 -0.183,600 -0.02,601 0.002,602 0.052,603 -0.139,604 0.075,605 0.118,606 -0.034,607 0.063,608 0.004,609 0.133,610 0.021,611 -0.004,612 0.089,613 -0.051,614 0.002,615 -0.04,616 -0.035,617 -0.125,618 -0.01,619 -0.054,620 0.011,621 -0.087,622 -0.001,623 0.105,624 -0.055,625 0.021,626 -0.055,627 0.109,628 -0.039,629 3.458,630 7.932,631 0.137,632 1462.93,633 1.012,634 1.151,635 -14.986,636 224.595,637 0.601,638 5.533,639 5.82,640 5.953,641 6.103,642 6.263,643 6.308,644 6.394,645 6.497,646 6.491,647 6.515,648 40.509,649 0.574,650 3522.73,651 5.533,652 7.071,653 7.87,654 8.717,655 9.542,656 10.39,657 11.227,658 12.077,659 12.92,660 13.771,661 9.3,662 8,667 33,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 515,687 56,688 1,689 252,690 518,691 159,692 12,693 1,694 5,696 4,697 4,699 3,701 24,702 9,705 71,706 52,707 107,708 8,709 40,710 37,711 3,712 40,716 266,717 88,718 59,719 90,721 2,722 48,725 1,726 42,727 1,735 2,736 1,740 3,741 30,743 4,744 8,747 5,749 4,752 22,755 249,756 11,757 5,758 47,759 30,762 38,768 8.2,769 1,770 4,771 37,774 148.5,775 91.75,776 56.667,777 31.664,778 0.665,779 1.061,780 0.878,781 108.346,782 11.571,783 5.707,784 6.094,785 6.291,786 6.513,787 6.758,788 6.727,789 6.85,790 7.049,791 7.005,792 7.013,793 0.979,794 371,795 97.182,796 44.159,797 8.242,798 171.164,799 136.213,800 2.742,801 682.833,804 2436.62,805 564.601,806 1019.69,808 1143.78,811 564.601,812 3580.4,813 1019.69,814 194.154,815 1016.64,816 108.159,817 1334.34,818 92.627,819 29.239,820 2389.53,822 2436.62,823 1584.29,824 1143.78,826 1695.04,827 1842.68,828 42.683,829 1317.47,830 233.252,831 33.571,833 2436.62,834 2163.47,835 564.601,836 2436.62,837 287.734,838 276.868,839 573.894,840 1589.58,841 2436.62,842 2163.47,843 564.601,844 0.574,845 0.31,846 0.153,847 0.089,848 93,849 81,850 0.22,851 114,853 1,854 15.209,855 4252.61,857 34,858 1952.04,860 224.364,861 120.242,862 90.073,864 2129.9,865 14.181,866 8.336,867 5.461,869 1.146,871 1149.18,872 5164.69,873 300,874 526.238,875 11.844,876 -42.411,877 520.945,878 592.97,879 0.181,880 0.373,881 0.549,882 0.679,883 0.763,884 0.817,885 6.971,886 2.938,887 7.863,888 9.238,889 6.512,890 6.786,891 5.552,892 8.616,893 6.48,894 8.125,895 2.92,896 9.404,897 9.211,898 6.188,899 6.619,900 5.115,901 9.441,902 6.169,903 9.395,904 2.909,905 11.041,906 9.159,907 8.065,908 8.612,909 6.677,910 12.468,911 7.998,912 10.684,913 2.894,914 12.732,915 9.108,916 8.487,917 9.179,918 6.855,919 14.056,920 8.434,921 12,922 2.871,923 14.456,924 9.068,925 9.873,926 10.692,927 7.967,928 16.611,929 9.777,930 13.332,931 2.851,932 16.203,933 9.008,934 10.626,935 11.566,936 8.417,937 18.526,938 10.536,939 14.675,940 2.824,941 17.967,942 8.872,943 11.822,944 12.902,945 9.344,946 20.893,947 11.695,948 3.045,949 2.812,950 19.742,951 8.847,952 12.733,953 13.918,954 9.941,955 22.962,956 12.604,957 3.023,958 9.946,959 21.526,960 8.789,961 13.849,962 15.182,963 10.785,964 25.247,965 13.691,966 2.987,967 9.719,968 23.317,969 3.508,970 14.839,971 16.269,972 11.467,973 27.392,974 14.672,975 2.983,976 9.364,977 25.113,978 3.507,979 15.923,980 17.503,981 12.277,982 29.644,983 15.731,984 2.976,985 9.357,986 26.914,987 3.466,988 16.952,989 18.629,990 13.011,991 31.829,992 16.746,993 2.964,994 9.304,995 28.718,996 3.326,997 18.025,998 19.851,999 13.811,1000 34.067,1001 17.798,1002 2.951,1003 9.277,1004 30.525,1005 3.325,1006 19.075,1007 21.001,1008 14.578,1009 36.274,1010 18.831,1011 4208250,1012 7196260,1013 153.45,1014 309.355,1015 373.156,1016 392.947,1017 386.603,1018 366.414,1019 366.608,1020 420.741,1021 169.351,1022 1005.82,1023 361.228,1024 5.17,1025 5.88,1026 6.377,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 247.18,1034 1.481,1035 1.559,1036 1.534,1037 1.454,1038 1.455,1039 1.67,1040 0.672,1041 3.991,1042 1.433,1043 4.292,1044 4.353,1045 4.179,1046 4.099,1047 7.526,1048 4.108,1049 3.93,1050 3.988,1051 3.866,1052 3.843,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.853,1058 3.738,1059 7.472,1060 3.76,1061 3.906,1062 3.945,1063 3.834,1064 3.731,1065 7.472,1066 3.752,1067 3.885,1068 3.933,1069 3.81,1070 3.711,1071 7.463,1072 3.723,1073 3.881,1074 3.929,1075 3.806,1076 3.702,1077 7.435,1078 3.716,1079 3.869,1080 3.918,1081 3.793,1082 3.698,1083 7.435,1084 3.709,1085 3.867,1086 3.917,1087 3.79,1088 3.692,1089 7.434,1090 3.703,1091 0.017,1092 0.015,1093 0.026,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.039,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.345,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.033,1119 1.344,1120 2.026,1121 1.831,1122 1.783,1123 2.028,1124 2.03,1125 1.337,1126 2.023,1127 1.824,1128 1.775,1129 2.025,1130 2.027,1131 1.331,1132 2.021,1133 1.823,1134 1.774,1135 2.022,1136 2.019,1137 1.327,1138 2.015,1139 1.823,1140 1.773,1141 2.02,1142 2.016,1143 1.327,1144 2.014,1145 1.799,1146 1.75,1147 2.006,1148 2.008,1149 1.317,1150 1.998,1151 1.794,1152 1.745,1153 2.001,1154 2.001,1155 1.316,1156 1.992,1157 6.225,1159 7.522,1160 3.045,1161 8.965,1162 5.13,1163 10.479,1164 6.952,1165 12.036,1166 34.612,1169 62.974,1170 50.927,1171 -12.475,1172 75.451,1175 -53.451,1178 295.47,1179 839.332,1180 1730.89,1181 2548.19,1182 3151.14,1183 3539.97,1184 3789.62,1185 6538.52,1186 10.906,1187 1474.3,1188 1474.3,1189 34,1190 14.33,1191 5.833,1192 5.615,1193 1657.65,1194 6193,1195 6065,1196 0.122,1197 1862.76,1198 3450.22,1199 4536.89,1200 2199400,1202 187.526,1203 0.753,1204 0.586,1205 187.526,1206 145.798,1207 117.171,1208 0.465,1209 0.334,1210 82.841,1211 111.466,1212 80.757,1213 67.506,1214 117.171,1215 84.218,1216 106.725,1217 0.318,1218 0.192,1219 106.725,1220 64.504,1221 76.283,1222 0.199,1223 0.105,1224 76.283,1225 40.13,1226 56.392,1227 0.126,1228 0.058,1229 56.392,1230 25.779,1231 44.443,1232 0.085,1233 0.032,1234 44.443,1235 16.738,1236 0.206,1237 746.206,1238 0.081,1239 143.125,1240 0.301,1241 1176,1242 4096.27,1243 1352.46,1244 3840.24,1245 4869.28,1246 3514,1247 1308,1248 3256.36,1249 1468.45,1250 3228.94,1251 4631.03,1252 3026,1253 8.31} {0 CHEMBL1794005,1 1.635,2 73.016,3 -5.602,4 31.38,5 915.973,6 6.873,7 0.062,8 6.316,9 6.465,10 5.745,11 5.697,12 7.459,13 5.684,14 6.888,15 7.092,16 6.103,17 6.098,18 8.04,19 6.04,20 7.262,21 7.502,22 6.244,23 6.301,24 8.387,25 6.229,26 7.398,27 7.643,28 6.367,29 6.386,30 8.555,31 6.338,32 7.459,33 7.68,34 6.56,35 6.476,36 8.846,37 6.446,38 7.573,39 7.793,40 6.623,41 6.6,42 8.881,43 6.555,44 7.694,45 7.924,46 6.674,47 6.717,48 8.92,49 6.661,50 7.798,51 8.033,52 6.795,53 6.819,54 9.089,55 6.752,56 1.221,57 7.398,58 121.72,59 42.836,60 215.451,61 63.841,62 4.162,63 10.97,64 225.306,65 72.315,66 672.922,67 111.799,68 7.958,69 13.357,70 344.027,71 91.562,72 1193.91,73 145.663,74 8.93,75 14.562,76 399.639,77 94.543,78 1509.92,79 156.243,80 12.421,81 15.942,82 424.643,83 103.359,84 2235.06,85 166.941,86 13.518,87 17.893,88 475.258,89 121.618,90 2173.25,91 189.961,92 13.061,93 19.976,94 534.749,95 137.048,96 2342.13,97 217.021,98 15.299,99 22.124,100 591.378,101 156.31,102 2774.78,103 248.713,104 7114,105 345,106 0.178,107 0.369,108 0.548,109 0.678,110 0.759,111 0.81,112 5.549,113 1,114 -10.87,115 -10.48,116 -9.58,117 30.9,118 21,119 44,120 9,122 6,124 29,127 5,128 1,130 2,134 2,138 39,139 3,140 2,143 12,144 12,145 12,147 4,149 4,150 52,151 4,153 15,154 10,155 47,156 3,157 40,159 6,160 35,161 4,162 5,163 3,165 41,166 1,167 29,168 30,169 68,171 2,172 9,174 6,176 2,177 58,180 5,181 2,182 55,183 4,185 3,187 12,190 30,191 47,192 4,193 1,194 42,195 9,196 56,197 4,198 2,199 30,201 10,203 15,204 51,205 4,206 5,207 51,208 41,209 60,211 7,212 52,215 2,217 12,218 59,220 4,221 17,222 11,223 47,224 4,225 7,226 59,227 8,228 2,231 30,232 71,233 4,234 10,235 51,236 14,237 68,238 4,239 9,240 61,241 9,243 7,246 15,247 75,248 4,249 9,250 56,251 39,252 81,254 6,255 60,256 5,258 9,261 590608,262 163.583,263 163.583,264 163.583,265 163.583,266 163.583,267 154.731,268 173.644,269 98.102,270 165.132,271 127.132,272 127.132,273 127.132,274 127.132,275 127.132,276 112.203,277 163.17,278 46.286,279 129.212,280 7.407,281 5.656,282 4.015,283 2.82,284 2.073,285 1.607,286 6.219,291 37691,292 17.161,294 2047.86,295 1404.22,298 11.563,299 662.367,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 580.5,310 18692,311 4.199,312 3.982,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 3.011,320 4.17,321 3.88,322 6.421,323 4.019,324 3.023,325 3.507,326 2.341,327 9.792,328 2.993,329 4.162,330 3.876,331 6.401,332 4.007,333 3.021,334 3.466,335 2.341,336 9.719,337 2.967,338 4.139,339 3.869,340 6.293,341 3.967,342 2.983,343 3.402,344 2.341,345 9.357,346 2.926,347 4.136,348 3.865,349 6.243,350 3.964,351 2.98,352 3.326,353 2.181,354 9.355,355 2.922,356 4.126,357 3.861,358 6.243,359 3.955,360 2.971,361 3.325,362 2.012,363 9.297,364 2.914,365 4.114,366 3.848,367 6.223,368 3.939,369 2.954,370 3.299,371 2.011,372 9.271,373 2.899,374 4.107,375 3.842,376 6.218,377 3.933,378 2.948,379 3.297,380 2.01,381 9.239,382 2.893,383 4.084,384 3.829,385 6.207,386 3.907,387 2.922,388 3.287,389 2.007,390 9.211,391 2.869,392 4.073,393 3.813,394 6.173,395 3.898,396 2.912,397 3.269,398 2.005,399 9.109,400 2.863,401 4.063,402 3.806,403 6.17,404 3.888,405 2.901,406 3.261,407 2.001,408 9.093,409 2.853,410 4.033,411 3.79,412 6.157,413 3.861,414 2.873,415 3.241,416 1.997,417 9.025,418 2.83,419 4.017,420 3.771,421 6.122,422 3.85,423 2.861,424 3.218,425 1.995,426 8.913,427 2.82,428 4,429 3.759,430 6.105,431 3.819,432 2.83,433 3.206,434 1.988,435 8.862,436 2.79,437 3.978,438 3.74,439 6.083,440 3.804,441 2.815,442 3.187,443 1.984,444 8.805,445 2.777,446 115.767,447 0.452,448 7.783,449 0.03,450 239,451 0.934,452 77,453 0.301,454 162,455 0.633,456 640.759,457 2.503,458 313.833,459 0.596,460 514.303,461 2.009,462 45.744,463 0.179,464 74.731,465 0.292,466 0.259,468 0.358,471 0.805,472 1.625,473 0.929,474 1.351,475 0.661,476 1.169,477 0.496,478 1.46,479 0.87,480 1.374,481 0.487,482 1.227,483 0.953,484 1.071,485 1.016,486 1.084,487 0.978,488 1.065,489 1.242,490 1.056,491 1.011,492 0.941,493 1.19,494 0.913,495 1.059,496 1.12,497 0.965,498 1.019,499 1.07,500 0.972,501 1.129,502 1.01,503 1.063,504 1.035,505 1.18,506 1.036,507 1.204,508 1.07,509 1.068,510 1.031,511 1.192,512 1.018,513 0.919,514 1.127,515 0.971,516 1.107,517 0.921,518 1.059,519 64.5,520 5.073,521 30.889,522 17.132,523 18.061,524 12.396,525 8.642,526 9.083,527 6.821,528 5.044,529 4493290,530 13208400,531 1.852,532 51.4,533 77,534 46,535 2,536 2,537 61,538 21,539 62,541 2.164,542 1.677,543 6.045,544 45.48,547 861.514,548 1.635,549 3.386,550 5.027,551 6.222,552 6.969,553 7.434,554 5.531,555 7.76,556 7.971,557 6.322,558 206346,559 14.677,560 16365200,563 4764.95,564 1.579,565 7.884,566 0.249,567 0.008,568 0.09,569 0.045,570 0.041,571 0.024,572 0.016,573 0.015,574 0.01,575 0.008,576 0.506,577 0.17,578 0.38,579 2.149,580 2317.48,581 -0.12,582 -0.102,583 -0.016,584 0.004,585 -0.065,586 0.024,587 0.195,588 -0.165,589 0.054,590 -0.152,591 0.123,592 -0.097,593 -0.012,594 0.029,595 -0.03,596 -0.035,597 -0.077,598 -0.041,599 -0.168,600 -0.017,601 0.004,602 0.052,603 -0.126,604 0.075,605 0.09,606 -0.032,607 0.059,608 0.008,609 0.101,610 0.027,611 0.014,612 0.086,613 -0.041,614 0.001,615 -0.019,616 -0.033,617 -0.112,618 -0.001,619 -0.057,620 0.012,621 -0.074,622 -0.005,623 0.084,624 -0.057,625 0.022,626 -0.05,627 0.089,628 -0.031,629 3.625,630 8.119,631 0.133,632 1521.2,633 1.012,634 1.151,635 -15.638,636 244.558,637 0.601,638 5.561,639 5.846,640 5.979,641 6.129,642 6.29,643 6.347,644 6.426,645 6.532,646 6.541,647 6.567,648 40.732,649 0.575,650 3621.83,651 5.561,652 7.098,653 7.896,654 8.743,655 9.568,656 10.416,657 11.253,658 12.104,659 12.946,660 13.799,661 9.3,662 8,667 34,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 527,687 58,688 1,689 259,690 530,691 163,692 12,693 1,694 5,696 4,697 4,699 3,701 23,702 9,705 73,706 54,707 109,708 9,709 42,710 39,711 3,712 42,716 271,717 91,718 61,719 93,721 2,722 49,723 1,725 1,726 44,727 1,735 2,736 1,740 4,741 29,743 4,744 8,747 5,749 4,752 21,755 256,756 12,757 5,758 50,759 30,762 38,768 8.3,769 1,770 4,771 39,774 152.667,775 93.417,776 58.278,777 32.351,778 0.668,779 1.061,780 0.879,781 111.603,782 11.591,783 5.737,784 6.122,785 6.316,786 6.544,787 6.777,788 6.774,789 6.885,790 7.076,791 7.055,792 7.07,793 1,794 381,795 100.137,796 45.726,797 8.26,798 175.711,799 139.859,800 2.76,801 706.667,804 2471.93,805 572.789,806 1052.59,808 1194.07,811 572.789,812 3666,813 1052.59,814 185.329,815 1057.14,816 108.159,817 1394.04,818 92.627,819 29.239,820 2424.85,822 2471.93,823 1625.38,824 1194.07,826 1742.12,827 1881.19,828 42.683,829 1349.14,830 242.661,831 33.571,833 2471.93,834 2246.66,835 572.789,836 2471.93,837 304.747,838 268.043,839 573.894,840 1672.76,841 2471.93,842 2246.66,843 572.789,844 0.574,845 0.309,846 0.153,847 0.088,848 95,849 83,850 0.223,851 118,853 1,854 15.405,855 4436.85,857 34,858 2015.24,860 230.671,861 123.857,862 92.927,864 2213.08,865 14.116,866 8.35,867 5.455,869 1.098,871 1182.08,872 5291.38,873 309,874 555.061,875 11.874,876 -46.343,877 533.469,878 606.717,879 0.181,880 0.374,881 0.556,882 0.688,883 0.771,884 0.822,885 6.999,886 2.948,887 7.889,888 9.271,889 6.538,890 6.815,891 5.596,892 8.641,893 6.509,894 8.154,895 2.922,896 9.43,897 9.239,898 6.213,899 6.651,900 5.161,901 9.469,902 6.197,903 9.424,904 2.912,905 11.067,906 9.211,907 8.09,908 8.641,909 6.725,910 12.496,911 8.029,912 10.714,913 2.901,914 12.758,915 9.109,916 8.511,917 9.21,918 6.899,919 14.092,920 8.464,921 12.03,922 2.873,923 14.482,924 9.093,925 9.899,926 10.721,927 8.015,928 16.648,929 9.809,930 13.361,931 2.861,932 16.231,933 9.025,934 10.652,935 11.598,936 8.461,937 18.572,938 10.569,939 14.705,940 2.83,941 17.995,942 8.913,943 11.848,944 12.932,945 9.394,946 20.942,947 11.732,948 3.045,949 2.815,950 19.772,951 8.862,952 12.761,953 13.952,954 9.988,955 23.019,956 12.643,957 3.023,958 9.946,959 21.558,960 8.805,961 13.878,962 15.215,963 10.836,964 25.309,965 13.733,966 3.021,967 9.792,968 23.352,969 3.508,970 14.87,971 16.305,972 11.515,973 27.462,974 14.717,975 2.983,976 9.719,977 25.151,978 3.507,979 15.955,980 17.539,981 12.328,982 29.719,983 15.78,984 2.98,985 9.357,986 26.954,987 3.466,988 16.986,989 18.668,990 13.06,991 31.911,992 16.799,993 2.971,994 9.355,995 28.761,996 3.402,997 18.061,998 19.891,999 13.862,1000 34.155,1001 17.854,1002 2.954,1003 9.297,1004 30.572,1005 3.326,1006 19.113,1007 21.044,1008 14.628,1009 36.37,1010 18.892,1011 4478300,1012 7680540,1013 157.727,1014 316.793,1015 383.144,1016 404.373,1017 397.144,1018 376.256,1019 376.435,1020 432.672,1021 176.591,1022 1031.95,1023 371.392,1024 5.199,1025 5.982,1026 6.377,1027 5.098,1028 5.045,1029 6.508,1030 4.033,1031 16.791,1032 5.011,1033 254.264,1034 1.479,1035 1.561,1036 1.533,1037 1.453,1038 1.453,1039 1.671,1040 0.682,1041 3.984,1042 1.434,1043 4.303,1044 4.363,1045 4.19,1046 4.109,1047 7.532,1048 4.118,1049 3.931,1050 3.988,1051 3.867,1052 3.844,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.853,1058 3.739,1059 7.472,1060 3.761,1061 3.906,1062 3.945,1063 3.834,1064 3.732,1065 7.472,1066 3.752,1067 3.885,1068 3.933,1069 3.81,1070 3.711,1071 7.465,1072 3.723,1073 3.879,1074 3.925,1075 3.807,1076 3.701,1077 7.444,1078 3.714,1079 3.871,1080 3.92,1081 3.795,1082 3.697,1083 7.435,1084 3.71,1085 3.867,1086 3.916,1087 3.791,1088 3.692,1089 7.435,1090 3.703,1091 0.016,1092 0.015,1093 0.025,1094 0.016,1095 0.012,1096 4.199,1097 0.014,1098 3.982,1099 0.009,1100 6.469,1101 0.038,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 3.011,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.348,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.034,1119 1.342,1120 2.027,1121 1.831,1122 1.783,1123 2.028,1124 2.027,1125 1.337,1126 2.023,1127 1.826,1128 1.777,1129 2.025,1130 2.026,1131 1.331,1132 2.018,1133 1.823,1134 1.774,1135 2.022,1136 2.022,1137 1.327,1138 2.015,1139 1.817,1140 1.771,1141 2.017,1142 2.016,1143 1.327,1144 2.012,1145 1.813,1146 1.765,1147 2.009,1148 2.013,1149 1.317,1150 2.007,1151 1.798,1152 1.749,1153 2.006,1154 2.003,1155 1.317,1156 1.997,1157 6.252,1159 7.549,1160 3.045,1161 8.991,1162 5.13,1163 10.504,1164 6.952,1165 12.062,1166 33.161,1169 68.5,1170 51.059,1171 -15.434,1172 74.656,1175 -54.887,1178 302.975,1179 861.514,1180 1784.47,1181 2649.17,1182 3279.07,1183 3672.53,1184 3917.95,1185 6981.42,1186 10.923,1187 1534.46,1188 1534.46,1189 34,1190 14.357,1191 5.883,1192 5.672,1193 1741.51,1194 6404,1195 6398,1196 0.124,1197 1910.06,1198 3542.72,1199 4652.31,1200 2231880,1202 192.802,1203 0.753,1204 0.583,1205 192.802,1206 149.313,1207 120.475,1208 0.465,1209 0.333,1210 84.937,1211 114.592,1212 82.877,1213 69.218,1214 120.475,1215 86.349,1216 109.701,1217 0.318,1218 0.191,1219 109.701,1220 66.019,1221 78.191,1222 0.198,1223 0.105,1224 78.191,1225 41.211,1226 57.948,1227 0.127,1228 0.058,1229 57.948,1230 26.483,1231 45.391,1232 0.084,1233 0.032,1234 45.391,1235 17.192,1236 0.209,1237 767.477,1238 0.08,1239 145.681,1240 0.306,1241 1208,1242 4245.06,1243 1389.91,1244 3977.98,1245 5035.64,1246 3638,1247 1343,1248 3359.76,1249 1507.35,1250 3330.59,1251 4774.18,1252 3121,1253 6.301} {0 CHEMBL1794006,1 1.631,2 72.403,3 -5.203,4 27.074,5 907.862,6 6.836,7 0.063,8 6.308,9 6.459,10 5.731,11 5.686,12 7.452,13 5.672,14 6.878,15 7.083,16 6.087,17 6.084,18 8.034,19 6.024,20 7.248,21 7.49,22 6.22,23 6.284,24 8.369,25 6.209,26 7.38,27 7.628,28 6.337,29 6.365,30 8.514,31 6.315,32 7.437,33 7.659,34 6.539,35 6.452,36 8.837,37 6.421,38 7.55,39 7.773,40 6.587,41 6.575,42 8.846,43 6.527,44 7.667,45 7.9,46 6.637,47 6.688,48 8.882,49 6.629,50 7.767,51 8.002,52 6.756,53 6.784,54 9.066,55 6.714,56 1.197,57 7.323,58 121.632,59 42.49,60 214.002,61 63.585,62 4.099,63 10.813,64 223.86,65 71.352,66 677.348,67 110.812,68 7.848,69 13.107,70 339.838,71 90.11,72 1177.03,73 143.821,74 8.368,75 14.232,76 392.559,77 92.455,78 1404.55,79 153.662,80 12.302,81 15.544,82 416.43,83 100.774,84 2224.88,85 163.627,86 13.052,87 17.419,88 465.151,89 118.383,90 2083.78,91 185.935,92 12.261,93 19.359,94 520.686,95 133.028,96 2221.6,97 211.838,98 14.949,99 21.31,100 574.319,101 150.97,102 2723.6,103 241.041,104 7446,105 339,106 0.178,107 0.366,108 0.534,109 0.656,110 0.735,111 0.789,112 5.537,113 1.003,114 -10.43,115 -10.06,116 -9.21,117 30.7,118 22,119 43,120 8,122 5,124 30,127 5,128 1,130 2,134 2,138 38,139 3,140 2,143 13,144 13,145 13,147 5,149 5,150 50,151 5,153 13,154 10,155 46,156 3,157 40,159 6,160 34,161 5,162 6,163 3,165 40,166 1,167 30,168 30,169 67,171 2,172 9,174 6,177 55,180 3,181 1,182 52,183 5,184 1,185 1,187 12,190 32,191 43,192 5,193 2,194 43,195 10,196 57,197 5,198 3,199 29,201 10,203 13,204 49,205 5,206 4,207 49,208 40,209 59,211 6,212 49,215 2,217 10,218 61,220 5,221 14,222 9,223 43,224 5,225 9,226 55,227 10,228 4,231 31,232 67,233 5,234 10,235 50,236 16,237 67,238 5,239 10,240 62,241 10,243 8,246 12,247 70,248 5,249 10,250 54,251 39,252 78,254 6,255 60,256 5,258 10,261 576892,262 161.221,263 161.221,264 161.221,265 161.221,266 161.221,267 152.446,268 169.775,269 96.947,270 162.768,271 125.21,272 125.21,273 125.21,274 125.21,275 125.21,276 110.511,277 158.058,278 45.809,279 127.31,280 7.403,281 5.677,282 4.134,283 3.02,284 2.297,285 1.804,286 6.205,291 36798,292 17.847,294 2342.48,295 1406.39,298 11.355,299 643.659,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 573.5,310 18318,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.879,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.146,330 3.872,331 6.293,332 3.972,333 2.988,334 3.466,335 2.341,336 9.37,337 2.93,338 4.139,339 3.868,340 6.247,341 3.967,342 2.983,343 3.326,344 2.341,345 9.357,346 2.926,347 4.13,348 3.863,349 6.243,350 3.959,351 2.976,352 3.325,353 2.341,354 9.31,355 2.918,356 4.121,357 3.855,358 6.226,359 3.948,360 2.964,361 3.305,362 2.013,363 9.277,364 2.907,365 4.109,366 3.846,367 6.219,368 3.936,369 2.951,370 3.302,371 2.012,372 9.242,373 2.895,374 4.096,375 3.836,376 6.207,377 3.923,378 2.938,379 3.289,380 2.011,381 9.211,382 2.885,383 4.082,384 3.824,385 6.193,386 3.905,387 2.92,388 3.279,389 2.009,390 9.161,391 2.868,392 4.072,393 3.811,394 6.173,395 3.895,396 2.909,397 3.267,398 2.006,399 9.108,400 2.859,401 4.055,402 3.799,403 6.163,404 3.881,405 2.894,406 3.26,407 2.003,408 9.07,409 2.846,410 4.026,411 3.783,412 6.15,413 3.859,414 2.871,415 3.235,416 2,417 9.008,418 2.83,419 4.015,420 3.768,421 6.108,422 3.839,423 2.851,424 3.213,425 1.996,426 8.873,427 2.807,428 3.994,429 3.752,430 6.096,431 3.813,432 2.824,433 3.199,434 1.991,435 8.847,436 2.785,437 3.969,438 3.734,439 6.078,440 3.803,441 2.813,442 3.181,443 1.986,444 8.789,445 2.777,446 114.433,447 0.452,448 7.769,449 0.031,450 235,451 0.929,452 75.5,453 0.298,454 159.5,455 0.63,456 631.583,457 2.496,458 310.967,459 0.593,460 502.162,461 1.985,462 45.034,463 0.178,464 73.869,465 0.292,466 0.267,468 0.358,471 0.811,472 1.628,473 0.938,474 1.355,475 0.671,476 1.175,477 0.487,478 1.467,479 0.868,480 1.378,481 0.476,482 1.228,483 0.952,484 1.065,485 1.022,486 1.083,487 0.978,488 1.069,489 1.262,490 1.061,491 1.011,492 0.94,493 1.206,494 0.909,495 1.038,496 1.124,497 0.959,498 1.021,499 1.05,500 0.974,501 1.136,502 1.006,503 1.072,504 1.031,505 1.184,506 1.038,507 1.21,508 1.078,509 1.065,510 1.034,511 1.197,512 1.017,513 0.919,514 1.129,515 0.979,516 1.113,517 0.928,518 1.068,519 64.5,520 5.089,521 30.222,522 16.632,523 18.141,524 11.951,525 8.479,526 9.083,527 6.524,528 4.799,529 4341590,530 12767500,531 1.842,532 51.7,533 75,534 45,535 2,536 2,537 62,538 20,539 65,541 2.162,542 1.666,543 6.042,544 46.506,547 854.523,548 1.631,549 3.357,550 4.9,551 6.013,552 6.736,553 7.23,554 5.511,555 7.785,556 7.955,557 6.312,558 201220,559 14.646,560 15896800,563 4733.51,564 1.581,565 7.865,566 0.253,567 0.008,568 0.089,569 0.045,570 0.043,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.511,577 0.17,578 0.38,579 2.405,580 2286.64,581 -0.122,582 -0.098,583 -0.018,584 0.005,585 -0.069,586 0.023,587 0.203,588 -0.17,589 0.059,590 -0.154,591 0.134,592 -0.095,593 -0.009,594 0.036,595 -0.034,596 -0.034,597 -0.077,598 -0.044,599 -0.189,600 -0.023,601 0.004,602 0.053,603 -0.145,604 0.079,605 0.117,606 -0.033,607 0.068,608 0.006,609 0.126,610 0.026,611 0.006,612 0.093,613 -0.048,614 0.005,615 -0.028,616 -0.033,617 -0.122,618 -0.008,619 -0.055,620 0.01,621 -0.08,622 -0.001,623 0.093,624 -0.057,625 0.016,626 -0.056,627 0.096,628 -0.04,629 3.366,630 8.038,631 0.063,632 1461.99,633 1.012,634 1.152,635 -15.198,636 230.98,637 0.6,638 5.545,639 5.829,640 5.953,641 6.103,642 6.267,643 6.312,644 6.392,645 6.491,646 6.479,647 6.494,648 40.53,649 0.573,650 3581.81,651 5.545,652 7.081,653 7.877,654 8.723,655 9.546,656 10.394,657 11.23,658 12.079,659 12.922,660 13.773,661 9.4,662 9,667 33,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 524,687 57,688 1,689 255,690 526,691 161,692 12,693 1,694 5,696 3,697 3,699 3,701 24,705 73,706 53,707 108,708 8,709 41,710 38,711 3,712 41,716 271,717 90,718 62,719 92,721 2,722 49,725 1,726 43,735 2,736 1,740 4,741 29,743 5,744 9,747 5,749 3,752 22,755 253,756 13,757 5,758 48,759 29,762 38,768 8.2,770 5,771 38,774 151.833,775 93.083,776 57.667,777 32.093,778 0.67,779 1.064,780 0.877,781 112.657,782 11.145,783 5.72,784 6.105,785 6.291,786 6.513,787 6.763,788 6.736,789 6.853,790 7.045,791 6.999,792 7.002,793 0.979,794 371,795 98.725,796 44.793,797 8.261,798 173.5,799 137.577,800 2.761,801 698.5,804 2460.16,805 570.58,806 1067.47,808 1168.92,811 570.58,812 3629.08,813 1067.47,814 194.154,815 1069.49,816 65.476,817 1403.08,818 92.627,819 29.239,820 2413.08,822 2460.16,823 1638.05,824 1168.92,826 1695.04,827 1934.05,829 1370.32,830 234.162,831 33.571,833 2460.16,834 2236.4,835 570.58,836 2460.16,837 293.713,838 276.868,839 555.883,840 1680.52,841 2460.16,842 2236.4,843 570.58,844 0.573,845 0.306,846 0.151,847 0.089,848 91,849 82,850 0.245,851 129,853 1,854 15.337,855 4319.26,857 16,858 1992.94,860 229.919,861 123.966,862 94.603,864 2202.83,865 14.189,866 8.375,867 5.479,869 1.156,871 1196.96,872 5267.14,873 304,874 537.99,875 11.847,876 -44.866,877 530.142,878 603.508,879 0.181,880 0.372,881 0.542,882 0.666,883 0.746,884 0.8,885 6.982,886 2.938,887 7.87,888 9.242,889 6.521,890 6.797,891 5.583,892 8.62,893 6.49,894 8.137,895 2.92,896 9.41,897 9.211,898 6.201,899 6.635,900 5.165,901 9.444,902 6.181,903 9.406,904 2.909,905 11.045,906 9.161,907 8.071,908 8.621,909 6.722,910 12.469,911 8.006,912 10.695,913 2.894,914 12.735,915 9.108,916 8.493,917 9.189,918 6.915,919 14.057,920 8.441,921 12.01,922 2.871,923 14.458,924 9.07,925 9.877,926 10.699,927 8.026,928 16.612,929 9.782,930 13.34,931 2.851,932 16.205,933 9.008,934 10.629,935 11.573,936 8.492,937 18.526,938 10.54,939 14.683,940 2.824,941 17.967,942 8.873,943 11.824,944 12.907,945 9.422,946 20.894,947 11.699,948 3.045,949 2.813,950 19.742,951 8.847,952 12.735,953 13.922,954 10.034,955 22.963,956 12.607,957 3.023,958 9.946,959 21.526,960 8.789,961 13.851,962 15.185,963 10.883,964 25.249,965 13.695,966 2.988,967 9.719,968 23.317,969 3.508,970 14.84,971 16.271,972 11.579,973 27.394,974 14.674,975 2.983,976 9.37,977 25.113,978 3.507,979 15.924,980 17.505,981 12.395,982 29.646,983 15.734,984 2.976,985 9.357,986 26.914,987 3.466,988 16.953,989 18.63,990 13.141,991 31.831,992 16.749,993 2.964,994 9.31,995 28.718,996 3.326,997 18.026,998 19.852,999 13.949,1000 34.069,1001 17.8,1002 2.951,1003 9.277,1004 30.525,1005 3.325,1006 19.076,1007 21.002,1008 14.727,1009 36.277,1010 18.834,1011 4343240,1012 7450120,1013 154.549,1014 314.338,1015 377.45,1016 397.047,1017 390.928,1018 370.682,1019 370.743,1020 426.016,1021 173.692,1022 1014.05,1023 365.563,1024 5.17,1025 5.88,1026 6.377,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 254.262,1034 1.48,1035 1.557,1036 1.533,1037 1.454,1038 1.454,1039 1.671,1040 0.681,1041 3.977,1042 1.434,1043 4.297,1044 4.358,1045 4.184,1046 4.103,1047 7.531,1048 4.113,1049 3.931,1050 3.988,1051 3.867,1052 3.844,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.852,1058 3.739,1059 7.472,1060 3.761,1061 3.906,1062 3.945,1063 3.834,1064 3.731,1065 7.472,1066 3.752,1067 3.885,1068 3.933,1069 3.81,1070 3.711,1071 7.472,1072 3.723,1073 3.878,1074 3.925,1075 3.804,1076 3.7,1077 7.462,1078 3.712,1079 3.87,1080 3.919,1081 3.794,1082 3.696,1083 7.435,1084 3.709,1085 3.867,1086 3.916,1087 3.79,1088 3.692,1089 7.435,1090 3.703,1091 0.016,1092 0.015,1093 0.025,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.039,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.344,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.034,1119 1.337,1120 2.027,1121 1.831,1122 1.783,1123 2.028,1124 2.027,1125 1.335,1126 2.023,1127 1.824,1128 1.774,1129 2.025,1130 2.024,1131 1.331,1132 2.016,1133 1.823,1134 1.774,1135 2.022,1136 2.021,1137 1.327,1138 2.015,1139 1.816,1140 1.768,1141 2.017,1142 2.016,1143 1.327,1144 2.012,1145 1.805,1146 1.757,1147 2.006,1148 2.01,1149 1.317,1150 2.002,1151 1.798,1152 1.749,1153 2.003,1154 2.003,1155 1.317,1156 1.997,1157 6.236,1159 7.532,1160 3.045,1161 8.972,1162 5.13,1163 10.483,1164 6.952,1165 12.039,1166 34.27,1169 74.527,1170 50.006,1171 -12.911,1172 72.529,1175 -54.091,1178 300.26,1179 854.523,1180 1758.93,1181 2567.45,1182 3151.06,1183 3529.85,1184 3788.45,1185 8387.75,1186 10.476,1187 1531.38,1188 1531.38,1189 16,1190 14.332,1191 5.858,1192 5.644,1193 2114.23,1194 6300,1195 6254,1196 0.153,1197 1897.2,1198 3514.33,1199 4620.93,1200 1233880,1202 191.104,1203 0.755,1204 0.585,1205 191.104,1206 148.068,1207 118.903,1208 0.466,1209 0.334,1210 83.889,1211 113.111,1212 81.777,1213 68.394,1214 118.903,1215 85.276,1216 108.434,1217 0.32,1218 0.192,1219 108.434,1220 65.159,1221 76.364,1222 0.199,1223 0.105,1224 76.364,1225 40.319,1226 56.257,1227 0.126,1228 0.058,1229 56.257,1230 25.835,1231 44.57,1232 0.085,1233 0.032,1234 44.57,1235 16.752,1236 0.258,1237 757.234,1238 0.08,1239 144.567,1240 0.377,1241 1188,1242 4166.3,1243 1367.45,1244 3908.73,1245 4944.72,1246 3572,1247 1317,1248 3301.09,1249 1478.06,1250 3273.29,1251 4686.41,1252 3066,1253 7.161} {0 CHEMBL1794007,1 1.644,2 72.008,3 -7.997,4 63.958,5 905.146,6 6.913,7 0.062,8 6.305,9 6.454,10 5.738,11 5.681,12 7.455,13 5.671,14 6.874,15 7.077,16 6.095,17 6.082,18 8.038,19 6.026,20 7.249,21 7.488,22 6.235,23 6.284,24 8.38,25 6.215,26 7.382,27 7.625,28 6.354,29 6.371,30 8.532,31 6.326,32 7.448,33 7.669,34 6.556,35 6.463,36 8.852,37 6.434,38 7.562,39 7.784,40 6.612,41 6.589,42 8.863,43 6.544,44 7.686,45 7.917,46 6.669,47 6.706,48 8.909,49 6.651,50 7.788,51 8.022,52 6.794,53 6.805,54 9.098,55 6.741,56 1.29,57 7.308,58 119.689,59 41.777,60 224.466,61 62.412,62 4.212,63 10.799,64 221.478,65 70.601,66 682.652,67 109.466,68 8.173,69 13.119,70 339.702,71 89.475,72 1221.9,73 142.642,74 8.843,75 14.312,76 392.742,77 92.341,78 1472.18,79 152.841,80 12.756,81 15.714,82 419.853,83 101.996,84 2297.82,85 164.846,86 13.492,87 17.676,88 469.393,89 119.94,90 2151.16,91 187.731,92 13.039,93 19.717,94 529.96,95 134.749,96 2329.62,97 214.388,98 15.9,99 21.785,100 586.164,101 153.314,102 2869.3,103 244.426,104 6967,105 342,106 0.179,107 0.369,108 0.543,109 0.672,110 0.754,111 0.808,112 5.541,113 0.994,114 -11.74,115 -11.31,116 -10.33,117 30.8,118 19,119 44,120 7,122 6,124 30,127 5,128 1,130 2,134 2,138 39,139 3,140 2,143 13,144 13,145 13,147 4,149 4,150 48,151 4,153 14,154 11,155 47,156 3,157 40,159 6,160 31,161 4,162 6,163 3,165 40,166 1,167 30,168 31,169 67,171 2,172 9,174 6,177 55,180 4,181 2,182 50,183 4,184 1,185 2,187 11,190 32,191 42,192 4,193 2,194 45,195 11,196 54,197 4,198 4,199 29,201 10,203 14,204 47,205 4,206 5,207 51,208 42,209 60,211 6,212 51,215 2,217 11,218 58,220 5,221 16,222 10,223 41,224 4,225 8,226 54,227 8,228 3,231 31,232 66,233 4,234 9,235 55,236 18,237 67,238 4,239 12,240 59,241 10,243 9,246 14,247 72,248 4,249 11,250 57,251 41,252 82,254 6,255 59,256 5,258 8,261 577536,262 162.376,263 162.376,264 162.376,265 162.376,266 162.376,267 153.446,268 174.621,269 97.448,270 163.924,271 126.165,272 126.165,273 126.165,274 126.165,275 126.165,276 111.171,277 164.633,278 46,279 128.267,280 7.378,281 5.638,282 4.046,283 2.869,284 2.111,285 1.619,286 6.211,291 36853,292 17.073,294 2292.36,295 1383.88,298 11.701,299 660.97,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 577,310 18290,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.88,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.145,330 3.873,331 6.293,332 3.97,333 2.987,334 3.466,335 2.341,336 9.364,337 2.927,338 4.14,339 3.87,340 6.246,341 3.967,342 2.983,343 3.326,344 2.341,345 9.357,346 2.926,347 4.133,348 3.863,349 6.243,350 3.962,351 2.978,352 3.325,353 2.013,354 9.31,355 2.92,356 4.122,357 3.857,358 6.235,359 3.949,360 2.966,361 3.306,362 2.012,363 9.303,364 2.908,365 4.109,366 3.846,367 6.22,368 3.936,369 2.951,370 3.303,371 2.011,372 9.24,373 2.895,374 4.098,375 3.837,376 6.207,377 3.925,378 2.94,379 3.29,380 2.009,381 9.211,382 2.886,383 4.083,384 3.825,385 6.197,386 3.906,387 2.921,388 3.282,389 2.006,390 9.175,391 2.869,392 4.073,393 3.812,394 6.175,395 3.895,396 2.91,397 3.267,398 2.003,399 9.115,400 2.859,401 4.057,402 3.8,403 6.169,404 3.883,405 2.897,406 3.26,407 2,408 9.091,409 2.848,410 4.025,411 3.783,412 6.158,413 3.859,414 2.871,415 3.238,416 1.996,417 9.055,418 2.83,419 4.015,420 3.769,421 6.107,422 3.837,423 2.85,424 3.213,425 1.991,426 8.869,427 2.805,428 3.994,429 3.752,430 6.097,431 3.814,432 2.825,433 3.2,434 1.986,435 8.847,436 2.785,437 3.971,438 3.735,439 6.077,440 3.802,441 2.812,442 3.181,443 1.981,444 8.781,445 2.775,446 114.667,447 0.451,448 7.694,449 0.03,450 238.25,451 0.938,452 77,453 0.303,454 161.25,455 0.635,456 628.947,457 2.476,458 311.333,459 0.599,460 514.817,461 2.027,462 46.037,463 0.181,464 73.528,465 0.289,466 0.256,468 0.358,471 0.812,472 1.626,473 0.926,474 1.345,475 0.667,476 1.161,477 0.5,478 1.472,479 0.87,480 1.383,481 0.486,482 1.232,483 0.958,484 1.057,485 1.02,486 1.075,487 0.983,488 1.062,489 1.257,490 1.065,491 1.021,492 0.95,493 1.2,494 0.921,495 1.023,496 1.117,497 0.954,498 1.022,499 1.038,500 0.974,501 1.106,502 1.008,503 1.059,504 1.036,505 1.154,506 1.039,507 1.189,508 1.077,509 1.057,510 1.034,511 1.17,512 1.014,513 0.912,514 1.12,515 0.969,516 1.104,517 0.925,518 1.058,519 64,520 5.209,521 30.444,522 16.632,523 18.141,524 12.063,525 8.479,526 9.24,527 6.796,528 4.839,529 4364240,530 12981600,531 1.853,532 51.2,533 68,534 47,535 2,536 2,537 63,538 22,539 62,541 2.163,542 1.678,543 6.027,544 47.408,547 855.01,548 1.644,549 3.385,550 4.976,551 6.153,552 6.911,553 7.403,554 5.517,555 7.728,556 7.959,557 6.304,558 202551,559 14.656,560 15887500,563 4691.63,564 1.578,565 7.874,566 0.249,567 0.008,568 0.089,569 0.044,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.505,577 0.17,578 0.38,579 2.346,580 2294.02,581 -0.126,582 -0.1,583 -0.018,584 0.008,585 -0.068,586 0.027,587 0.193,588 -0.173,589 0.051,590 -0.16,591 0.125,592 -0.103,593 -0.015,594 0.041,595 -0.035,596 -0.027,597 -0.081,598 -0.039,599 -0.19,600 -0.023,601 -0.009,602 0.047,603 -0.144,604 0.069,605 0.113,606 -0.03,607 0.066,608 0.007,609 0.121,610 0.025,611 0.011,612 0.09,613 -0.043,614 0.002,615 -0.024,616 -0.033,617 -0.115,618 -0.01,619 -0.05,620 0.01,621 -0.074,623 0.096,624 -0.052,625 0.024,626 -0.048,627 0.095,628 -0.032,629 3.49,630 8.084,631 0.134,632 1509.08,633 1.013,634 1.152,635 -16.513,636 272.671,637 0.601,638 5.553,639 5.838,640 5.969,641 6.118,642 6.284,643 6.337,644 6.422,645 6.529,646 6.529,647 6.55,648 40.216,649 0.576,650 3594.76,651 5.553,652 7.089,653 7.887,654 8.734,655 9.558,656 10.406,657 11.242,658 12.092,659 12.935,660 13.786,661 9.6,662 8,667 35,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 520,687 58,688 1,689 257,690 523,691 160,692 12,693 1,694 5,696 4,697 4,699 3,701 21,702 9,705 74,706 54,707 106,708 7,709 42,710 39,711 3,712 42,716 266,717 92,718 63,719 94,721 2,722 50,725 1,726 44,727 1,735 2,736 1,740 5,741 30,743 4,744 8,747 5,749 4,752 19,755 254,756 13,757 5,758 50,759 30,762 37,768 8.5,769 1,770 4,771 39,774 151.333,775 91.417,776 57.833,777 31.664,778 0.67,779 1.061,780 0.88,781 110.678,782 11.625,783 5.73,784 6.116,785 6.305,786 6.528,787 6.777,788 6.76,789 6.881,790 7.075,791 7.042,792 7.049,793 0.979,794 377,795 99.354,796 45.42,797 8.277,798 173.931,799 138.334,800 2.777,801 705.333,804 2389.53,805 555.139,806 1085.48,808 1194.07,811 555.139,812 3583.6,813 1085.48,814 167.679,815 1090.03,816 108.159,817 1394.04,818 92.627,819 29.239,820 2342.45,822 2389.53,823 1640.62,824 1194.07,826 1659.72,827 1881.19,828 42.683,829 1364.39,830 242.661,831 33.571,833 2389.53,834 2279.55,835 555.139,836 2389.53,837 304.747,838 250.392,839 573.894,840 1705.66,841 2389.53,842 2279.55,843 555.139,844 0.573,845 0.308,846 0.152,847 0.089,848 94,849 82,850 0.226,851 118,853 1,854 15.309,855 4397.5,857 34,858 1992.37,860 228.634,861 122.957,862 92.516,864 2245.98,865 14.094,866 8.31,867 5.434,869 1.1,871 1214.97,872 5224.23,873 307,874 553.22,875 11.835,876 -46.475,877 526.92,878 598.97,879 0.182,880 0.375,881 0.552,882 0.682,883 0.766,884 0.821,885 6.992,886 2.94,887 7.879,888 9.24,889 6.529,890 6.808,891 5.595,892 8.63,893 6.499,894 8.147,895 2.921,896 9.418,897 9.211,898 6.201,899 6.643,900 5.161,901 9.452,902 6.184,903 9.416,904 2.91,905 11.054,906 9.175,907 8.08,908 8.634,909 6.718,910 12.478,911 8.016,912 10.705,913 2.897,914 12.743,915 9.115,916 8.497,917 9.2,918 6.893,919 14.067,920 8.447,921 12.021,922 2.871,923 14.466,924 9.091,925 9.885,926 10.711,927 8.002,928 16.62,929 9.791,930 13.351,931 2.85,932 16.212,933 9.055,934 10.635,935 11.584,936 8.449,937 18.537,938 10.546,939 14.694,940 2.825,941 17.975,942 8.869,943 11.831,944 12.917,945 9.374,946 20.903,947 11.707,948 3.045,949 2.812,950 19.75,951 8.847,952 12.741,953 13.933,954 9.968,955 22.973,956 12.614,957 3.023,958 9.946,959 21.533,960 8.781,961 13.857,962 15.194,963 10.809,964 25.259,965 13.701,966 2.987,967 9.719,968 23.324,969 3.508,970 14.846,971 16.28,972 11.488,973 27.405,974 14.68,975 2.983,976 9.364,977 25.12,978 3.507,979 15.93,980 17.513,981 12.296,982 29.656,983 15.74,984 2.978,985 9.357,986 26.921,987 3.466,988 16.958,989 18.638,990 13.027,991 31.842,992 16.754,993 2.966,994 9.31,995 28.726,996 3.326,997 18.032,998 19.859,999 13.825,1000 34.08,1001 17.805,1002 2.951,1003 9.303,1004 30.533,1005 3.325,1006 19.081,1007 21.008,1008 14.591,1009 36.287,1010 18.838,1011 4351870,1012 7507960,1013 156.628,1014 312.514,1015 380.168,1016 400.671,1017 393.581,1018 373.372,1019 373.555,1020 429.858,1021 176.894,1022 1022.82,1023 368.397,1024 5.17,1025 5.88,1026 6.377,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 251.381,1034 1.479,1035 1.559,1036 1.531,1037 1.453,1038 1.454,1039 1.673,1040 0.688,1041 3.98,1042 1.433,1043 4.297,1044 4.357,1045 4.184,1046 4.102,1047 7.531,1048 4.112,1049 3.93,1050 3.988,1051 3.866,1052 3.844,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.853,1058 3.737,1059 7.472,1060 3.76,1061 3.906,1062 3.945,1063 3.834,1064 3.731,1065 7.472,1066 3.752,1067 3.886,1068 3.933,1069 3.81,1070 3.711,1071 7.464,1072 3.724,1073 3.882,1074 3.929,1075 3.807,1076 3.701,1077 7.435,1078 3.716,1079 3.869,1080 3.918,1081 3.793,1082 3.698,1083 7.435,1084 3.709,1085 3.867,1086 3.916,1087 3.791,1088 3.692,1089 7.435,1090 3.703,1091 0.016,1092 0.015,1093 0.025,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.039,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.345,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.033,1119 1.344,1120 2.026,1121 1.831,1122 1.783,1123 2.028,1124 2.031,1125 1.337,1126 2.023,1127 1.824,1128 1.775,1129 2.025,1130 2.026,1131 1.331,1132 2.019,1133 1.823,1134 1.773,1135 2.022,1136 2.02,1137 1.327,1138 2.015,1139 1.82,1140 1.772,1141 2.009,1142 2.016,1143 1.327,1144 2.014,1145 1.799,1146 1.75,1147 2.006,1148 2.011,1149 1.317,1150 1.998,1151 1.793,1152 1.745,1153 2.001,1154 2,1155 1.304,1156 1.992,1157 6.244,1159 7.541,1160 3.045,1161 8.982,1162 5.13,1163 10.494,1164 6.952,1165 12.049,1166 29.921,1169 74.1,1170 51.021,1171 -16.731,1172 74.422,1175 -54.919,1178 299.416,1179 855.01,1180 1759.97,1181 2587.73,1182 3199.74,1183 3593.8,1184 3849.63,1185 6871.35,1186 10.955,1187 1560.48,1188 1560.48,1189 34,1190 14.345,1191 5.883,1192 5.672,1193 1716.66,1194 6262,1195 6234,1196 0.125,1197 1888.08,1198 3501.82,1199 4598.67,1200 2296270,1202 191.225,1203 0.753,1204 0.58,1205 191.225,1206 147.313,1207 119.564,1208 0.465,1209 0.331,1210 83.755,1211 113.633,1212 81.832,1213 68.255,1214 119.564,1215 85.179,1216 108.82,1217 0.318,1218 0.189,1219 108.82,1220 64.715,1221 77.503,1222 0.199,1223 0.104,1224 77.503,1225 40.663,1226 57.208,1227 0.126,1228 0.058,1229 57.208,1230 26.055,1231 45.3,1232 0.085,1233 0.032,1234 45.3,1235 16.968,1236 0.211,1237 762.302,1238 0.08,1239 144.799,1240 0.31,1241 1198,1242 4244.37,1243 1380.94,1244 3976.65,1245 5029.76,1246 3636,1247 1331,1248 3352.33,1249 1495.6,1250 3321.69,1251 4758.36,1252 3113,1253 7.337} {0 CHEMBL1794008,1 1.629,2 72.359,3 -5.425,4 29.435,5 889.21,6 6.823,7 0.044,8 6.291,9 6.441,10 5.711,11 5.668,12 7.43,13 5.654,14 6.864,15 7.07,16 6.07,17 6.068,18 8.013,19 6.008,20 7.24,21 7.481,22 6.218,23 6.275,24 8.365,25 6.202,26 7.377,27 7.624,28 6.334,29 6.36,30 8.52,31 6.312,32 7.437,33 7.658,34 6.531,35 6.45,36 8.835,37 6.417,38 7.552,39 7.775,40 6.579,41 6.575,42 8.836,43 6.524,44 7.672,45 7.905,46 6.634,47 6.688,48 8.882,49 6.628,50 7.773,51 8.009,52 6.757,53 6.785,54 9.073,55 6.714,56 1.171,57 7.181,58 119.754,59 42.022,60 209.694,61 62.737,62 4.027,63 10.628,64 221.148,65 70.41,66 659.1,67 109.318,68 7.842,69 12.99,70 337.349,71 89.277,72 1168.43,73 142.466,74 8.496,75 14.152,76 391.715,77 92.128,78 1425.65,79 153.015,80 12.335,81 15.487,82 416.362,83 101.049,84 2248.79,85 163.817,86 12.96,87 17.391,88 466.048,89 119.048,90 2071.92,91 186.845,92 12.383,93 19.341,94 523.804,95 133.564,96 2230.31,97 212.901,98 15.217,99 21.302,100 578.322,101 151.495,102 2778.15,103 242.137,104 7093,105 333,106 0.178,107 0.361,108 0.535,109 0.664,110 0.748,111 0.802,112 5.518,113 1.006,114 -10.67,115 -10.29,116 -9.41,117 30.7,118 22,119 42,120 8,122 6,124 30,127 5,128 1,130 1,134 1,138 38,139 3,140 1,143 12,144 12,145 12,147 4,149 4,150 50,151 4,153 12,154 10,155 45,156 3,157 39,159 6,160 34,161 4,162 5,163 3,165 39,166 1,167 30,168 31,169 65,171 2,172 9,174 5,177 55,180 3,181 2,182 52,183 4,184 1,185 2,187 11,190 31,191 44,192 4,193 2,194 43,195 9,196 56,197 4,198 3,199 29,201 10,203 12,204 49,205 4,206 4,207 48,208 40,209 60,211 5,212 50,215 2,217 10,218 57,220 4,221 13,222 10,223 44,224 4,225 8,226 55,227 8,228 3,231 30,232 66,233 4,234 9,235 52,236 16,237 67,238 4,239 11,240 60,241 9,243 7,246 12,247 70,248 4,249 10,250 54,251 38,252 78,254 5,255 59,256 5,258 7,261 551052,262 157.945,263 157.945,264 157.945,265 157.945,266 157.945,267 149.844,268 169.062,269 94.651,270 159.391,271 122.672,272 122.672,273 122.672,274 122.672,275 122.672,276 108.858,277 160.124,278 44.626,279 124.613,280 7.38,281 5.707,282 4.12,283 2.939,284 2.175,285 1.679,286 6.185,291 36048,292 17,294 1135.84,295 1357.49,298 11.624,299 637.401,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 562.5,310 17945,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.879,322 6.401,323 4.007,324 3.023,325 3.466,326 2.341,327 9.719,328 2.967,329 4.139,330 3.872,331 6.293,332 3.968,333 2.984,334 3.326,335 2.341,336 9.36,337 2.926,338 4.138,339 3.868,340 6.244,341 3.967,342 2.983,343 3.325,344 2.341,345 9.357,346 2.926,347 4.13,348 3.863,349 6.243,350 3.959,351 2.975,352 3.309,353 2.013,354 9.294,355 2.918,356 4.115,357 3.855,358 6.226,359 3.943,360 2.959,361 3.302,362 2.012,363 9.277,364 2.902,365 4.107,366 3.845,367 6.214,368 3.935,369 2.95,370 3.29,371 2.011,372 9.22,373 2.895,374 4.096,375 3.836,376 6.207,377 3.923,378 2.938,379 3.282,380 2.009,381 9.211,382 2.885,383 4.081,384 3.824,385 6.193,386 3.904,387 2.919,388 3.27,389 2.006,390 9.16,391 2.867,392 4.064,393 3.811,394 6.173,395 3.89,396 2.905,397 3.26,398 2.003,399 9.108,400 2.855,401 4.05,402 3.799,403 6.157,404 3.879,405 2.893,406 3.237,407 2,408 9.032,409 2.845,410 4.024,411 3.783,412 6.148,413 3.856,414 2.868,415 3.219,416 1.996,417 9.004,418 2.826,419 4.008,420 3.768,421 6.106,422 3.837,423 2.849,424 3.199,425 1.991,426 8.865,427 2.805,428 3.992,429 3.752,430 6.093,431 3.813,432 2.824,433 3.182,434 1.986,435 8.829,436 2.785,437 3.969,438 3.734,439 6.078,440 3.8,441 2.81,442 3.163,443 1.981,444 8.788,445 2.774,446 112.133,447 0.452,448 7.663,449 0.031,450 227.75,451 0.918,452 71.5,453 0.288,454 156.25,455 0.63,456 619.567,457 2.498,458 305.467,459 0.593,460 484.903,461 1.955,462 43.501,463 0.175,464 73.008,465 0.294,466 0.269,468 0.361,471 0.806,472 1.631,473 0.938,474 1.362,475 0.666,476 1.181,477 0.495,478 1.474,479 0.87,480 1.381,481 0.484,482 1.23,483 0.948,484 1.065,485 1.017,486 1.081,487 0.973,488 1.065,489 1.259,490 1.061,491 1.015,492 0.94,493 1.202,494 0.911,495 1.037,496 1.126,497 0.967,498 1.026,499 1.046,500 0.981,501 1.13,502 1.008,503 1.074,504 1.036,505 1.175,506 1.043,507 1.203,508 1.079,509 1.065,510 1.035,511 1.185,512 1.017,513 0.91,514 1.126,515 0.972,516 1.107,517 0.918,518 1.062,519 63.5,520 5.022,521 30.222,522 16.535,523 18.026,524 11.84,525 8.301,526 9.062,527 6.561,528 4.73,529 4159690,530 12226400,531 1.841,532 51.8,533 75,534 47,535 1,536 1,537 60,538 18,539 65,541 2.158,542 1.664,543 6.034,544 44.816,547 838.743,548 1.629,549 3.301,550 4.889,551 6.069,552 6.834,553 7.33,554 5.504,555 7.733,556 7.926,557 6.314,558 193373,559 14.583,560 15162500,563 4639.34,564 1.582,565 7.835,566 0.254,567 0.008,568 0.091,569 0.045,570 0.043,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.514,577 0.17,578 0.38,579 2.369,580 2235.6,581 -0.119,582 -0.098,583 -0.017,584 0.004,585 -0.067,586 0.023,587 0.196,588 -0.175,589 0.058,590 -0.155,591 0.125,592 -0.096,593 -0.005,594 0.039,595 -0.029,596 -0.032,597 -0.074,598 -0.04,599 -0.184,600 -0.02,601 0.001,602 0.053,603 -0.139,604 0.076,605 0.112,606 -0.034,607 0.06,608 0.004,609 0.125,610 0.02,612 0.091,613 -0.052,614 0.001,615 -0.035,616 -0.037,617 -0.12,618 -0.011,619 -0.054,620 0.008,621 -0.08,622 -0.003,623 0.1,624 -0.057,625 0.023,626 -0.052,627 0.102,628 -0.035,629 3.442,630 7.914,631 0.117,632 1461.01,633 1.012,634 1.152,635 -15.437,636 238.303,637 0.599,638 5.525,639 5.811,640 5.938,641 6.082,642 6.25,643 6.292,644 6.37,645 6.472,646 6.465,647 6.485,648 40.52,649 0.572,650 3513.72,651 5.525,652 7.062,653 7.859,654 8.706,655 9.529,656 10.376,657 11.212,658 12.061,659 12.903,660 13.754,661 9.1,662 8,667 34,668 1,669 3,670 1,673 7,674 1,675 1,677 2,679 11,686 515,687 52,688 1,689 250,690 517,691 158,692 9,693 1,694 5,696 3,697 3,699 3,701 24,702 9,705 72,706 50,707 108,708 8,709 41,710 38,711 3,712 41,716 267,717 89,718 60,719 90,721 1,722 47,725 1,726 43,727 1,735 1,736 1,740 4,741 30,743 4,744 8,747 5,749 3,752 22,755 248,756 12,757 5,758 48,759 30,762 38,768 8.3,769 1,770 4,771 38,774 149,775 91.633,776 56.5,777 31.672,778 0.579,779 1.053,780 0.876,781 110.188,782 11.427,783 5.695,784 6.075,785 6.252,786 6.455,787 6.725,788 6.681,789 6.783,790 6.974,791 6.927,792 6.931,793 0.979,794 370,795 96.903,796 44.073,797 8.265,798 170.234,799 135.262,800 2.765,801 685.833,804 2436.62,805 551.418,806 1019.02,808 1168.92,811 551.418,812 3605.54,813 1019.02,814 194.154,815 1052.07,816 99.112,817 1327.01,818 73.084,819 17.468,820 2413.08,822 2436.62,823 1570.43,824 1168.92,826 1671.5,827 1891.36,828 42.683,829 1324.74,830 228.909,831 16.786,833 2436.62,834 2187.94,835 551.418,836 2436.62,837 292.216,838 259.202,839 557.108,840 1630.83,841 2436.62,842 2187.94,843 551.418,844 0.574,845 0.309,846 0.152,847 0.089,848 90,849 81,850 0.222,851 115,853 1,854 15.131,855 4206.3,857 29,858 1946.64,860 225.544,861 121.159,862 92.063,864 2171.16,865 11.714,866 4.216,867 2.796,869 1.091,871 1165.29,872 5175.98,873 296.5,874 537.505,875 11.82,876 -44.055,877 521.054,878 593.096,879 0.181,880 0.366,881 0.543,882 0.674,883 0.759,884 0.814,885 6.96,886 2.938,887 7.854,888 9.22,889 6.503,890 6.767,891 5.574,892 8.606,893 6.474,894 8.114,895 2.919,896 9.395,897 9.211,898 6.188,899 6.617,900 5.138,901 9.434,902 6.171,903 9.384,904 2.905,905 11.033,906 9.16,907 8.055,908 8.581,909 6.698,910 12.457,911 7.993,912 10.673,913 2.893,914 12.724,915 9.108,916 8.481,917 9.158,918 6.874,919 14.047,920 8.432,921 11.988,922 2.868,923 14.448,924 9.032,925 9.863,926 10.648,927 7.985,928 16.601,929 9.772,930 13.318,931 2.849,932 16.195,933 9.004,934 10.617,935 11.528,936 8.433,937 18.517,938 10.531,939 14.661,940 2.824,941 17.958,942 8.865,943 11.811,944 12.845,945 9.359,946 20.884,947 11.69,948 3.045,949 2.81,950 19.734,951 8.829,952 12.724,953 13.862,954 9.954,955 22.953,956 12.599,957 3.023,958 9.946,959 21.518,960 8.788,961 13.839,962 15.112,963 10.797,964 25.239,965 13.686,966 2.984,967 9.719,968 23.309,969 3.508,970 14.829,971 16.195,972 11.478,973 27.384,974 14.666,975 2.983,976 9.36,977 25.106,978 3.466,979 15.913,980 17.418,981 12.286,982 29.635,983 15.725,984 2.975,985 9.357,986 26.907,987 3.326,988 16.942,989 18.537,990 13.019,991 31.82,992 16.74,993 2.959,994 9.294,995 28.711,996 3.325,997 18.015,998 19.75,999 13.818,1000 34.058,1001 17.791,1002 2.95,1003 9.277,1004 30.519,1005 3.309,1006 19.064,1007 20.892,1008 14.585,1009 36.265,1010 18.824,1011 4160950,1012 7135410,1013 151.371,1014 308.565,1015 369.775,1016 390.93,1017 384.083,1018 363.377,1019 363.487,1020 415.237,1021 173.123,1022 996.483,1023 358.764,1024 5.17,1025 5.88,1026 6.377,1027 5.098,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 249.876,1034 1.479,1035 1.564,1036 1.536,1037 1.454,1038 1.454,1039 1.661,1040 0.692,1041 3.986,1042 1.435,1043 4.288,1044 4.348,1045 4.174,1046 4.094,1047 7.528,1048 4.103,1049 3.927,1050 3.983,1051 3.861,1052 3.843,1053 7.472,1054 3.837,1055 3.906,1056 3.945,1057 3.834,1058 3.735,1059 7.472,1060 3.756,1061 3.885,1062 3.933,1063 3.811,1064 3.711,1065 7.472,1066 3.723,1067 3.88,1068 3.928,1069 3.806,1070 3.701,1071 7.464,1072 3.715,1073 3.872,1074 3.92,1075 3.798,1076 3.697,1077 7.435,1078 3.709,1079 3.868,1080 3.917,1081 3.791,1082 3.692,1083 7.435,1084 3.703,1085 3.863,1086 3.912,1087 3.785,1088 3.682,1089 7.435,1090 3.697,1091 0.017,1092 0.016,1093 0.026,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.04,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.344,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.034,1119 1.343,1120 2.026,1121 1.831,1122 1.783,1123 2.028,1124 2.028,1125 1.337,1126 2.023,1127 1.823,1128 1.774,1129 2.025,1130 2.027,1131 1.331,1132 2.016,1133 1.823,1134 1.773,1135 2.022,1136 2.02,1137 1.327,1138 2.015,1139 1.818,1140 1.77,1141 2.017,1142 2.017,1143 1.327,1144 2.014,1145 1.807,1146 1.758,1147 2.006,1148 2.013,1149 1.317,1150 2.006,1151 1.798,1152 1.748,1153 2.006,1154 2.002,1155 1.317,1156 1.996,1157 6.217,1159 7.514,1160 2.398,1161 8.955,1162 4.443,1163 10.468,1164 6.26,1165 12.024,1166 34.383,1169 68.424,1170 50.827,1171 -13.731,1172 74.816,1175 -53.973,1178 294.69,1179 838.743,1180 1700.1,1181 2517.67,1182 3125.76,1183 3519.38,1184 3774.74,1185 8161.99,1186 10.848,1187 1488.71,1188 1488.71,1189 29,1190 14.313,1191 5.728,1192 5.57,1193 2040.97,1194 6163,1195 6018,1196 0.151,1197 1860.69,1198 3456.61,1199 4531.84,1200 2073340,1202 187.405,1203 0.756,1204 0.586,1205 187.405,1206 145.388,1207 116.509,1208 0.466,1209 0.335,1210 82.498,1211 110.831,1212 80.414,1213 67.224,1214 116.509,1215 83.863,1216 106.31,1217 0.319,1218 0.193,1219 106.31,1220 64.244,1221 75.287,1222 0.199,1223 0.105,1224 75.287,1225 39.842,1226 55.339,1227 0.127,1228 0.058,1229 55.339,1230 25.513,1231 44.012,1232 0.085,1233 0.032,1234 44.012,1235 16.643,1236 0.255,1237 742.148,1238 0.081,1239 142.783,1240 0.371,1241 1166,1242 4093.34,1243 1342.54,1244 3833.72,1245 4845.23,1246 3504,1247 1294,1248 3225.69,1249 1453.25,1250 3196.68,1251 4581.32,1252 2995,1253 8.301} {0 CHEMBL1794009,1 1.63,2 72.321,3 -4.952,4 24.522,5 904.662,6 6.84,7 0.063,8 6.304,9 6.454,10 5.729,11 5.685,12 7.44,13 5.671,14 6.877,15 7.082,16 6.088,17 6.086,18 8.023,19 6.026,20 7.25,21 7.491,22 6.227,23 6.289,24 8.369,25 6.215,26 7.386,27 7.633,28 6.346,29 6.375,30 8.518,31 6.325,32 7.448,33 7.669,34 6.548,35 6.466,36 8.841,37 6.433,38 7.564,39 7.787,40 6.599,41 6.592,42 8.848,43 6.542,44 7.684,45 7.917,46 6.654,47 6.708,48 8.887,49 6.649,50 7.788,51 8.023,52 6.78,53 6.809,54 9.078,55 6.739,56 1.146,57 7.323,58 120.801,59 42.293,60 202.689,61 63.349,62 4.017,63 10.853,64 223.307,65 71.28,66 648.912,67 110.696,68 7.776,69 13.214,70 340.006,71 90.451,72 1156.23,73 144.182,74 8.319,75 14.408,76 394.516,77 93.408,78 1387.05,79 154.813,80 12.281,81 15.794,82 420.263,83 102.421,84 2219.68,85 165.828,86 12.996,87 17.76,88 470.866,89 120.641,90 2062.51,91 189.156,92 12.236,93 19.814,94 528.905,95 135.857,96 2191.12,97 216.097,98 15.035,99 21.927,100 585.61,101 154.517,102 2719.62,103 246.554,104 6892,105 340,106 0.178,107 0.364,108 0.534,109 0.661,110 0.744,111 0.8,112 5.534,113 1.003,114 -10.25,115 -9.89,116 -9.06,117 30.9,118 22,119 43,120 8,122 5,124 30,127 5,128 1,130 2,134 2,138 38,139 3,140 2,143 12,144 12,145 12,147 4,149 4,150 50,151 4,153 13,154 10,155 46,156 3,157 40,159 6,160 34,161 4,162 5,163 3,165 40,166 1,167 30,168 30,169 67,171 2,172 9,174 5,177 56,180 3,181 1,182 52,183 4,184 1,185 2,187 11,190 32,191 44,192 4,193 2,194 43,195 10,196 57,197 4,198 3,199 31,201 10,203 13,204 50,205 4,206 4,207 49,208 40,209 59,211 5,212 51,215 2,217 10,218 61,220 4,221 14,222 9,223 44,224 4,225 8,226 56,227 8,228 4,231 31,232 68,233 4,234 9,235 51,236 16,237 70,238 4,239 10,240 62,241 9,243 8,246 13,247 73,248 4,249 10,250 55,251 38,252 80,254 5,255 60,256 5,258 8,261 567046,262 160.799,263 160.799,264 160.799,265 160.799,266 160.799,267 152.076,268 171.523,269 96.471,270 162.358,271 125.244,272 125.244,273 125.244,274 125.244,275 125.244,276 110.564,277 161.649,278 45.629,279 127.34,280 7.396,281 5.694,282 4.131,283 2.967,284 2.208,285 1.693,286 6.203,291 36748,292 17.015,294 2051.56,295 1382.31,298 11.478,299 637.951,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 570.5,310 18225,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.879,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.146,330 3.872,331 6.293,332 3.972,333 2.988,334 3.466,335 2.341,336 9.37,337 2.93,338 4.139,339 3.868,340 6.247,341 3.967,342 2.983,343 3.326,344 2.341,345 9.357,346 2.926,347 4.13,348 3.863,349 6.243,350 3.959,351 2.976,352 3.325,353 2.013,354 9.31,355 2.918,356 4.121,357 3.855,358 6.226,359 3.948,360 2.964,361 3.305,362 2.012,363 9.277,364 2.907,365 4.109,366 3.846,367 6.219,368 3.936,369 2.951,370 3.302,371 2.011,372 9.242,373 2.895,374 4.096,375 3.836,376 6.207,377 3.923,378 2.938,379 3.289,380 2.009,381 9.211,382 2.885,383 4.082,384 3.824,385 6.193,386 3.905,387 2.92,388 3.279,389 2.006,390 9.161,391 2.868,392 4.072,393 3.811,394 6.173,395 3.895,396 2.909,397 3.267,398 2.003,399 9.108,400 2.859,401 4.055,402 3.799,403 6.163,404 3.881,405 2.894,406 3.26,407 2,408 9.07,409 2.846,410 4.026,411 3.783,412 6.15,413 3.859,414 2.871,415 3.235,416 1.996,417 9.008,418 2.83,419 4.015,420 3.768,421 6.108,422 3.839,423 2.851,424 3.213,425 1.991,426 8.873,427 2.807,428 3.994,429 3.752,430 6.096,431 3.813,432 2.824,433 3.199,434 1.986,435 8.847,436 2.785,437 3.969,438 3.734,439 6.078,440 3.803,441 2.813,442 3.181,443 1.981,444 8.789,445 2.777,446 114.1,447 0.453,448 7.732,449 0.031,450 235,451 0.933,452 75.5,453 0.3,454 159.5,455 0.633,456 630.004,457 2.5,458 308.9,459 0.593,460 499.173,461 1.981,462 44.85,463 0.178,464 73.677,465 0.292,466 0.261,468 0.359,471 0.802,472 1.63,473 0.933,474 1.354,475 0.658,476 1.173,477 0.491,478 1.463,479 0.869,480 1.372,481 0.478,482 1.225,483 0.956,484 1.064,485 1.022,486 1.082,487 0.98,488 1.067,489 1.271,490 1.06,491 1.016,492 0.941,493 1.215,494 0.912,495 1.043,496 1.12,497 0.962,498 1.022,499 1.053,500 0.976,501 1.137,502 1.004,503 1.072,504 1.031,505 1.186,506 1.038,507 1.21,508 1.078,509 1.063,510 1.033,511 1.197,512 1.015,513 0.919,514 1.127,515 0.977,516 1.109,517 0.927,518 1.064,519 64,520 5.105,521 30.222,522 16.632,523 18.141,524 11.951,525 8.479,526 9.177,527 6.672,528 4.859,529 4318580,530 12604700,531 1.852,532 51.6,533 75,534 45,535 2,536 2,537 60,538 20,539 65,541 2.161,542 1.676,543 6.036,544 44.684,547 848.999,548 1.63,549 3.331,550 4.894,551 6.058,552 6.817,553 7.332,554 5.514,555 7.747,556 7.949,557 6.31,558 199545,559 14.631,560 15679500,563 4702.1,564 1.579,565 7.861,566 0.251,567 0.008,568 0.089,569 0.044,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.508,577 0.17,578 0.38,579 2.243,580 2275.27,581 -0.118,582 -0.106,583 -0.014,584 0.001,585 -0.065,586 0.022,587 0.201,588 -0.169,589 0.059,590 -0.153,591 0.129,592 -0.095,593 -0.008,594 0.037,595 -0.034,596 -0.034,597 -0.076,598 -0.043,599 -0.191,600 -0.022,602 0.052,603 -0.145,604 0.076,605 0.115,606 -0.032,607 0.064,608 0.005,609 0.127,610 0.023,611 0.003,612 0.092,613 -0.049,614 0.004,615 -0.031,616 -0.034,617 -0.123,618 -0.01,619 -0.053,620 0.011,621 -0.083,623 0.093,624 -0.057,625 0.019,626 -0.053,627 0.095,628 -0.037,629 3.361,630 8.085,631 0.135,632 1475.66,633 1.011,634 1.151,635 -15.021,636 225.641,637 0.601,638 5.545,639 5.832,640 5.961,641 6.111,642 6.277,643 6.324,644 6.41,645 6.516,646 6.515,647 6.54,648 40.41,649 0.574,650 3563.79,651 5.545,652 7.083,653 7.88,654 8.728,655 9.551,656 10.4,657 11.236,658 12.086,659 12.929,660 13.78,661 9.4,662 8,667 34,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 521,687 57,688 1,689 255,690 524,691 161,692 12,693 1,694 5,696 4,697 4,699 3,701 23,702 9,705 73,706 53,707 108,708 8,709 41,710 38,711 3,712 41,716 269,717 89,718 60,719 91,721 2,722 49,725 1,726 42,735 2,736 1,740 4,741 30,743 4,744 8,747 4,749 4,752 22,755 252,756 12,757 4,758 48,759 30,762 38,768 8.1,770 4,771 38,774 150.333,775 92.8,776 57.25,777 32.064,778 0.672,779 1.062,780 0.881,781 109.608,782 11.58,783 5.72,784 6.107,785 6.298,786 6.52,787 6.77,788 6.746,789 6.867,790 7.064,791 7.028,792 7.038,793 0.979,794 374,795 98.36,796 44.694,797 8.242,798 173.224,799 137.858,800 2.742,801 691,804 2460.16,805 574.375,806 1052.59,808 1126.24,811 574.375,812 3586.4,813 1052.59,814 194.154,815 1054.6,816 65.476,817 1364.19,818 92.627,819 29.239,820 2413.08,822 2460.16,823 1626.96,824 1126.24,826 1695.04,827 1891.36,829 1355.44,830 237.957,831 33.571,833 2460.16,834 2178.83,835 574.375,836 2460.16,837 297.507,838 276.868,839 573.894,840 1604.93,841 2460.16,842 2178.83,843 574.375,844 0.574,845 0.308,846 0.152,847 0.089,848 94,849 82,850 0.221,851 116,853 1,854 15.271,855 4337.54,857 34,858 1977.52,860 227.037,861 121.66,862 91.912,864 2145.26,865 14.256,866 8.402,867 5.505,869 1.197,871 1139.39,872 5213.36,873 304,874 540.609,875 11.865,876 -43.514,877 526.931,878 599.883,879 0.181,880 0.369,881 0.542,882 0.671,883 0.755,884 0.812,885 6.984,886 2.938,887 7.874,888 9.242,889 6.524,890 6.799,891 5.574,892 8.625,893 6.493,894 8.139,895 2.92,896 9.414,897 9.211,898 6.201,899 6.635,900 5.138,901 9.447,902 6.183,903 9.408,904 2.909,905 11.05,906 9.161,907 8.075,908 8.624,909 6.698,910 12.473,911 8.011,912 10.697,913 2.894,914 12.739,915 9.108,916 8.495,917 9.191,918 6.874,919 14.059,920 8.444,921 12.013,922 2.871,923 14.462,924 9.07,925 9.881,926 10.702,927 7.985,928 16.614,929 9.787,930 13.343,931 2.851,932 16.208,933 9.008,934 10.632,935 11.576,936 8.433,937 18.528,938 10.544,939 14.686,940 2.824,941 17.971,942 8.873,943 11.827,944 12.91,945 9.359,946 20.895,947 11.704,948 3.045,949 2.813,950 19.745,951 8.847,952 12.738,953 13.925,954 9.954,955 22.964,956 12.611,957 3.023,958 9.946,959 21.528,960 8.789,961 13.854,962 15.188,963 10.797,964 25.25,965 13.698,966 2.988,967 9.719,968 23.319,969 3.508,970 14.843,971 16.274,972 11.478,973 27.395,974 14.678,975 2.983,976 9.37,977 25.115,978 3.507,979 15.927,980 17.507,981 12.286,982 29.646,983 15.737,984 2.976,985 9.357,986 26.915,987 3.466,988 16.955,989 18.633,990 13.019,991 31.831,992 16.752,993 2.964,994 9.31,995 28.72,996 3.326,997 18.028,998 19.854,999 13.818,1000 34.07,1001 17.803,1002 2.951,1003 9.277,1004 30.527,1005 3.325,1006 19.078,1007 21.004,1008 14.585,1009 36.277,1010 18.836,1011 4304210,1012 7355310,1013 155.242,1014 313.122,1015 377.954,1016 397.964,1017 390.957,1018 371.137,1019 371.238,1020 426.464,1021 173.123,1022 1017.54,1023 366.126,1024 5.17,1025 5.88,1026 6.377,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 250.314,1034 1.482,1035 1.561,1036 1.533,1037 1.455,1038 1.456,1039 1.672,1040 0.679,1041 3.99,1042 1.436,1043 4.298,1044 4.358,1045 4.184,1046 4.104,1047 7.529,1048 4.113,1049 3.931,1050 3.988,1051 3.867,1052 3.844,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.852,1058 3.739,1059 7.472,1060 3.761,1061 3.906,1062 3.945,1063 3.834,1064 3.732,1065 7.472,1066 3.752,1067 3.885,1068 3.933,1069 3.81,1070 3.711,1071 7.464,1072 3.723,1073 3.878,1074 3.926,1075 3.804,1076 3.7,1077 7.435,1078 3.713,1079 3.87,1080 3.919,1081 3.794,1082 3.696,1083 7.435,1084 3.709,1085 3.867,1086 3.916,1087 3.79,1088 3.692,1089 7.435,1090 3.703,1091 0.016,1092 0.015,1093 0.025,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.039,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.345,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.034,1119 1.344,1120 2.027,1121 1.831,1122 1.783,1123 2.028,1124 2.028,1125 1.337,1126 2.023,1127 1.824,1128 1.775,1129 2.025,1130 2.027,1131 1.331,1132 2.017,1133 1.823,1134 1.774,1135 2.022,1136 2.022,1137 1.327,1138 2.015,1139 1.817,1140 1.769,1141 2.017,1142 2.016,1143 1.327,1144 2.013,1145 1.812,1146 1.762,1147 2.007,1148 2.013,1149 1.317,1150 2.007,1151 1.798,1152 1.748,1153 2.006,1154 2.003,1155 1.317,1156 1.997,1157 6.236,1159 7.534,1160 3.045,1161 8.976,1162 5.13,1163 10.488,1164 6.952,1165 12.044,1166 34.457,1169 68.753,1170 40.009,1171 -12.735,1172 75.751,1175 -53.555,1178 299.018,1179 848.999,1180 1735.52,1181 2550,1182 3156.25,1183 3551.88,1184 3819.98,1185 6711.61,1186 10.908,1187 1497.16,1188 1497.16,1189 34,1190 14.339,1191 5.858,1192 5.644,1193 1693.24,1194 6255,1195 6206,1196 0.124,1197 1885.81,1198 3493.18,1199 4593.14,1200 2183990,1202 189.811,1203 0.753,1204 0.585,1205 189.811,1206 147.543,1207 118.526,1208 0.465,1209 0.334,1210 83.87,1211 112.788,1212 81.762,1213 68.344,1214 118.526,1215 85.248,1216 108.288,1217 0.318,1218 0.192,1219 108.288,1220 65.326,1221 76.873,1222 0.199,1223 0.105,1224 76.873,1225 40.627,1226 56.772,1227 0.126,1228 0.058,1229 56.772,1230 26.14,1231 44.999,1232 0.085,1233 0.032,1234 44.999,1235 17.023,1236 0.208,1237 754.5,1238 0.08,1239 144.15,1240 0.305,1241 1190,1242 4141.17,1243 1368.26,1244 3885.96,1245 4925.94,1246 3554,1247 1322,1248 3297.33,1249 1483.06,1250 3269.72,1251 4685.01,1252 3064,1253 9.208} {0 CHEMBL1794010,1 1.63,2 72.256,3 -5.619,4 31.57,5 878.69,6 6.848,7 0.044,8 6.279,9 6.428,10 5.703,11 5.659,12 7.421,13 5.645,14 6.854,15 7.057,16 6.063,17 6.06,18 8.007,19 6.001,20 7.232,21 7.471,22 6.213,23 6.267,24 8.364,25 6.195,26 7.369,27 7.615,28 6.33,29 6.351,30 8.517,31 6.304,32 7.427,33 7.646,34 6.529,35 6.441,36 8.834,37 6.41,38 7.543,39 7.764,40 6.578,41 6.566,42 8.841,43 6.518,44 7.665,45 7.897,46 6.628,47 6.68,48 8.884,49 6.621,50 7.764,51 7.998,52 6.749,53 6.775,54 9.067,55 6.706,56 1.177,57 7.092,58 117.795,59 41.812,60 210.483,61 61.995,62 4.018,63 10.528,64 218.292,65 69.84,66 665.739,67 108.172,68 7.903,69 12.905,70 334.58,71 88.907,72 1189.68,73 141.197,74 8.593,75 14.067,76 388.675,77 91.384,78 1450.34,79 151.347,80 12.392,81 15.382,82 412.002,83 100.154,84 2258.44,85 161.778,86 13.094,87 17.287,88 461.579,89 118.107,90 2107.44,91 184.683,92 12.558,93 19.219,94 519.832,95 132.555,96 2287.36,97 210.72,98 15.229,99 21.141,100 572.925,101 150.54,102 2788.69,103 239.811,104 7068,105 331,106 0.179,107 0.36,108 0.534,109 0.664,110 0.749,111 0.804,112 5.51,113 1.005,114 -10.99,115 -10.6,116 -9.69,117 30.8,118 22,119 42,120 8,122 5,124 30,127 5,128 1,130 1,134 1,138 39,139 2,140 1,143 11,144 11,145 11,147 4,149 4,150 50,151 4,153 12,154 9,155 44,156 2,157 40,159 4,160 34,161 4,162 6,163 2,165 39,166 1,167 30,168 31,169 66,171 2,172 9,174 6,177 55,180 3,181 2,182 50,183 4,184 1,185 2,187 9,190 31,191 44,192 4,193 2,194 43,195 10,196 54,197 4,198 4,199 29,201 8,203 12,204 49,205 4,206 5,207 49,208 41,209 60,211 6,212 50,215 2,217 10,218 57,220 5,221 14,222 8,223 44,224 4,225 6,226 56,227 8,228 3,231 30,232 65,233 4,234 7,235 50,236 15,237 67,238 4,239 10,240 61,241 9,243 9,246 12,247 70,248 4,249 9,250 54,251 40,252 80,254 6,255 60,256 5,258 9,261 542406,262 156.531,263 156.531,264 156.531,265 156.531,266 156.531,267 148.612,268 167.102,269 93.665,270 157.808,271 121.672,272 121.672,273 121.672,274 121.672,275 121.672,276 108.021,277 158.48,278 44.15,279 123.355,280 7.361,281 5.708,282 4.122,283 2.931,284 2.155,285 1.654,286 6.177,291 35728,292 16.941,294 1129.11,295 1349.15,298 11.512,299 640.243,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 558.5,310 17775,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.879,322 6.401,323 4.007,324 3.023,325 3.466,326 2.341,327 9.719,328 2.967,329 4.139,330 3.872,331 6.293,332 3.968,333 2.984,334 3.326,335 2.341,336 9.36,337 2.926,338 4.138,339 3.868,340 6.245,341 3.967,342 2.983,343 3.325,344 2.341,345 9.357,346 2.926,347 4.13,348 3.863,349 6.243,350 3.959,351 2.975,352 3.309,353 2.013,354 9.295,355 2.917,356 4.115,357 3.855,358 6.226,359 3.944,360 2.96,361 3.302,362 2.012,363 9.277,364 2.903,365 4.107,366 3.846,367 6.214,368 3.935,369 2.95,370 3.29,371 2.011,372 9.221,373 2.895,374 4.096,375 3.836,376 6.207,377 3.923,378 2.938,379 3.282,380 2.009,381 9.211,382 2.884,383 4.081,384 3.824,385 6.192,386 3.904,387 2.919,388 3.27,389 2.006,390 9.16,391 2.867,392 4.065,393 3.811,394 6.173,395 3.891,396 2.905,397 3.26,398 2.003,399 9.108,400 2.855,401 4.051,402 3.799,403 6.157,404 3.879,405 2.893,406 3.237,407 2,408 9.033,409 2.845,410 4.024,411 3.783,412 6.148,413 3.856,414 2.868,415 3.22,416 1.996,417 9.005,418 2.826,419 4.008,420 3.768,421 6.106,422 3.837,423 2.849,424 3.199,425 1.991,426 8.865,427 2.806,428 3.992,429 3.752,430 6.093,431 3.813,432 2.824,433 3.182,434 1.986,435 8.83,436 2.785,437 3.969,438 3.734,439 6.078,440 3.8,441 2.81,442 3.163,443 1.981,444 8.788,445 2.774,446 111.167,447 0.452,448 7.663,449 0.031,450 226.25,451 0.92,452 71.5,453 0.291,454 154.75,455 0.629,456 611.07,457 2.484,458 302.833,459 0.595,460 481.876,461 1.959,462 43.157,463 0.175,464 72.352,465 0.294,466 0.27,468 0.364,471 0.796,472 1.624,473 0.932,474 1.361,475 0.657,476 1.179,477 0.493,478 1.485,479 0.866,480 1.382,481 0.484,482 1.23,483 0.948,484 1.067,485 1.017,486 1.081,487 0.975,488 1.066,489 1.253,490 1.059,491 1.014,492 0.935,493 1.192,494 0.908,495 1.029,496 1.128,497 0.963,498 1.023,499 1.036,500 0.978,501 1.116,502 1.009,503 1.072,504 1.036,505 1.155,506 1.044,507 1.195,508 1.078,509 1.067,510 1.031,511 1.171,512 1.017,513 0.909,514 1.129,515 0.972,516 1.106,517 0.918,518 1.061,519 63.5,520 4.981,521 30.222,522 16.41,523 18.026,524 11.951,525 8.26,526 9.03,527 6.561,528 4.65,529 4084120,530 12064300,531 1.84,532 51.7,533 75,534 45,535 1,536 1,537 58,538 20,539 63,541 2.157,542 1.662,543 6.032,544 43.032,547 829.845,548 1.63,549 3.283,550 4.87,551 6.061,552 6.837,553 7.337,554 5.502,555 7.696,556 7.914,557 6.311,558 190182,559 14.559,560 14849000,563 4576.69,564 1.583,565 7.823,566 0.256,567 0.008,568 0.091,569 0.045,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.517,577 0.17,578 0.38,579 2.053,580 2214.83,581 -0.116,582 -0.095,583 -0.017,584 0.004,585 -0.064,586 0.023,587 0.194,588 -0.188,589 0.059,590 -0.157,591 0.124,592 -0.097,593 -0.007,594 0.037,595 -0.03,596 -0.033,597 -0.076,598 -0.042,599 -0.185,600 -0.018,601 0.001,602 0.055,603 -0.14,604 0.078,605 0.113,606 -0.035,607 0.062,608 0.004,609 0.123,610 0.021,611 0.005,612 0.093,613 -0.051,614 -0.001,615 -0.027,616 -0.039,617 -0.12,618 -0.01,619 -0.058,620 0.008,621 -0.077,622 -0.005,623 0.094,624 -0.061,625 0.022,626 -0.052,627 0.094,628 -0.035,629 3.468,630 7.896,631 0.118,632 1446.81,633 1.012,634 1.151,635 -15.764,636 248.496,637 0.6,638 5.517,639 5.805,640 5.932,641 6.078,642 6.248,643 6.29,644 6.363,645 6.465,646 6.455,647 6.471,648 40.4,649 0.573,650 3485.65,651 5.517,652 7.055,653 7.853,654 8.7,655 9.524,656 10.373,657 11.209,658 12.059,659 12.901,660 13.752,661 8.8,662 6,667 35,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 509,687 52,688 1,689 248,690 511,691 157,692 9,693 1,694 5,696 3,697 3,699 2,701 24,702 9,705 72,706 50,707 107,708 8,709 41,710 39,711 2,712 41,716 263,717 88,718 58,719 89,721 1,722 45,725 1,726 44,727 1,735 1,736 1,740 5,741 30,743 4,744 6,747 5,749 3,752 22,755 246,756 11,757 5,758 47,759 30,762 38,768 8.6,769 1,770 4,771 39,774 148,775 90.767,776 56,777 31.356,778 0.563,779 1.052,780 0.875,781 108.666,782 11.348,783 5.689,784 6.068,785 6.244,786 6.449,787 6.723,788 6.681,789 6.774,790 6.958,791 6.913,792 6.912,793 0.979,794 368,795 96.234,796 43.918,797 8.282,798 168.718,799 134.214,800 2.782,801 684.333,804 2413.08,805 552.118,806 969.334,808 1194.07,811 552.118,812 3607.15,813 969.334,814 194.154,815 1017.07,816 99.112,817 1356.86,818 56.299,819 15.569,820 2389.53,822 2413.08,823 1521.45,824 1194.07,826 1671.5,827 1892.96,828 42.683,829 1272.95,830 231.715,831 16.786,833 2413.08,834 2163.4,835 552.118,836 2413.08,837 292.916,838 259.202,839 557.108,840 1606.3,841 2413.08,842 2163.4,843 552.118,844 0.574,845 0.309,846 0.152,847 0.09,848 90,849 81,850 0.223,851 114,853 1,854 15.051,855 4159.5,857 29,858 1921.86,860 223.584,861 119.561,862 90.701,864 2146.62,865 11.708,866 4.214,867 2.795,869 1.089,871 1132.39,872 5128.6,873 294.5,874 548.811,875 7.88,876 -45.166,877 515.295,878 585.894,879 0.181,880 0.365,881 0.542,882 0.674,883 0.76,884 0.816,885 6.954,886 2.938,887 7.849,888 9.221,889 6.497,890 6.76,891 5.586,892 8.603,893 6.471,894 8.109,895 2.919,896 9.392,897 9.211,898 6.188,899 6.617,900 5.156,901 9.434,902 6.176,903 9.38,904 2.905,905 11.03,906 9.16,907 8.052,908 8.573,909 6.715,910 12.457,911 7.994,912 10.669,913 2.893,914 12.722,915 9.108,916 8.481,917 9.156,918 6.891,919 14.047,920 8.436,921 11.984,922 2.868,923 14.447,924 9.033,925 9.861,926 10.64,927 8.001,928 16.601,929 9.774,930 13.314,931 2.849,932 16.194,933 9.005,934 10.617,935 11.524,936 8.449,937 18.517,938 10.535,939 14.657,940 2.824,941 17.958,942 8.865,943 11.81,944 12.838,945 9.374,946 20.884,947 11.693,948 3.045,949 2.81,950 19.733,951 8.83,952 12.724,953 13.857,954 9.968,955 22.953,956 12.602,957 3.023,958 9.946,959 21.518,960 8.788,961 13.838,962 15.105,963 10.809,964 25.239,965 13.689,966 2.984,967 9.719,968 23.309,969 3.508,970 14.829,971 16.19,972 11.488,973 27.384,974 14.669,975 2.983,976 9.36,977 25.106,978 3.466,979 15.913,980 17.412,981 12.296,982 29.635,983 15.728,984 2.975,985 9.357,986 26.907,987 3.326,988 16.942,989 18.532,990 13.027,991 31.82,992 16.742,993 2.96,994 9.295,995 28.711,996 3.325,997 18.015,998 19.745,999 13.825,1000 34.058,1001 17.793,1002 2.95,1003 9.277,1004 30.519,1005 3.309,1006 19.065,1007 20.888,1008 14.591,1009 36.265,1010 18.826,1011 4083450,1012 7020260,1013 149.985,1014 305.247,1015 367.313,1016 389.132,1017 381.725,1018 360.837,1019 360.943,1020 412.413,1021 174.236,1022 991.411,1023 356.872,1024 5.17,1025 5.88,1026 6.377,1027 5.098,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 248.631,1034 1.481,1035 1.569,1036 1.539,1037 1.455,1038 1.455,1039 1.663,1040 0.703,1041 3.998,1042 1.439,1043 4.284,1044 4.343,1045 4.171,1046 4.091,1047 7.53,1048 4.1,1049 3.927,1050 3.983,1051 3.861,1052 3.843,1053 7.472,1054 3.837,1055 3.906,1056 3.945,1057 3.834,1058 3.735,1059 7.472,1060 3.756,1061 3.886,1062 3.933,1063 3.811,1064 3.711,1065 7.472,1066 3.723,1067 3.879,1068 3.926,1069 3.805,1070 3.702,1071 7.464,1072 3.715,1073 3.874,1074 3.922,1075 3.799,1076 3.696,1077 7.435,1078 3.71,1079 3.867,1080 3.916,1081 3.79,1082 3.692,1083 7.435,1084 3.703,1085 3.861,1086 3.908,1087 3.784,1088 3.679,1089 7.435,1090 3.694,1091 0.017,1092 0.016,1093 0.026,1094 0.016,1095 0.012,1096 4.17,1097 0.014,1098 3.88,1099 0.009,1100 6.469,1101 0.04,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.352,1114 2.035,1115 1.836,1116 1.787,1117 2.03,1118 2.035,1119 1.338,1120 2.027,1121 1.831,1122 1.783,1123 2.028,1124 2.027,1125 1.334,1126 2.023,1127 1.825,1128 1.776,1129 2.025,1130 2.025,1131 1.331,1132 2.018,1133 1.823,1134 1.774,1135 2.022,1136 2.022,1137 1.327,1138 2.015,1139 1.816,1140 1.768,1141 2.017,1142 2.016,1143 1.324,1144 2.012,1145 1.804,1146 1.754,1147 2.009,1148 2.01,1149 1.317,1150 2.002,1151 1.798,1152 1.749,1153 2.006,1154 2.003,1155 1.317,1156 1.997,1157 6.209,1159 7.507,1160 2.398,1161 8.95,1162 4.443,1163 10.464,1164 6.26,1165 12.021,1166 34.227,1169 62.599,1170 50.695,1171 -14.45,1172 74.313,1175 -54.383,1178 291.835,1179 829.845,1180 1671.28,1181 2478.75,1182 3084.85,1183 3479.84,1184 3734.61,1185 8117.12,1186 10.785,1187 1467.4,1188 1467.4,1189 29,1190 14.311,1191 5.728,1192 5.57,1193 2011.64,1194 6087,1195 5924,1196 0.15,1197 1841.51,1198 3426.1,1199 4485.03,1200 1926060,1202 185.991,1203 0.756,1204 0.586,1205 185.991,1206 144.065,1207 115.509,1208 0.466,1209 0.335,1210 81.741,1211 109.87,1212 79.672,1213 66.58,1214 115.509,1215 83.092,1216 105.603,1217 0.319,1218 0.193,1219 105.603,1220 63.8,1221 74.795,1222 0.199,1223 0.105,1224 74.795,1225 39.576,1226 54.927,1227 0.126,1228 0.058,1229 54.927,1230 25.296,1231 43.831,1232 0.085,1233 0.032,1234 43.831,1235 16.515,1236 0.254,1237 735.982,1238 0.082,1239 142.039,1240 0.369,1241 1158,1242 4098.12,1243 1333.84,1244 3833,1245 4836.98,1246 3502,1247 1286,1248 3212.37,1249 1444.58,1250 3181.7,1251 4560.22,1252 2981,1253 8} {0 CHEMBL184938,1 1.578,2 9.143,3 6.667,4 44.45,5 114.792,6 7.561,7 0.367,8 4.094,9 4.227,10 3.674,11 3.623,12 5.08,13 3.573,14 4.685,15 4.898,16 4.088,17 4.031,18 5.607,19 3.956,20 4.945,21 5.175,22 4.272,23 4.215,24 5.883,25 4.128,26 5.061,27 5.284,28 4.41,29 4.321,30 6.075,31 4.236,32 5.125,33 5.341,34 4.341,35 4.402,36 6.055,37 4.304,38 5.277,39 5.514,40 4.355,41 4.482,42 6.221,43 4.354,44 5.327,45 5.587,46 4.189,47 4.429,48 6.282,49 4.243,50 5.235,51 5.544,52 3.926,53 4.258,54 6.019,55 4.015,56 0.01,57 0.809,58 12.021,59 5.085,60 6.595,61 7.22,62 0.274,63 1.304,64 25.462,65 8.652,66 20.581,67 12.537,68 0.389,69 1.57,70 37.451,71 11.266,72 34.617,73 16.26,74 0.591,75 1.766,76 44.672,77 12.08,78 62.85,79 17.281,80 0.462,81 1.939,82 42.403,83 12.908,84 38.75,85 19.034,86 0.499,87 2.108,88 48.228,89 15.567,90 59.581,91 22.388,92 0.726,93 1.984,94 58.607,95 17.413,96 96.633,97 24.517,98 0.589,99 1.632,100 55.681,101 16.92,102 73.038,103 23.81,104 64,105 43,106 0.263,107 0.543,108 0.746,109 0.815,110 0.815,111 0.815,112 3.376,113 1.077,114 -6.53,115 -6.36,116 -5.9,117 37.5,118 3,119 5,121 1,123 1,124 1,127 3,129 3,131 1,135 1,138 1,141 1,150 6,152 4,153 5,160 7,164 3,165 7,172 5,176 3,177 7,185 7,191 19,199 6,204 14,212 6,218 11,226 8,232 1,240 11,247 1,255 9,261 1146,262 18.801,263 18.801,264 18.801,265 18.801,266 18.801,267 17.356,268 23.908,269 11.006,270 19.364,271 14.636,272 14.636,273 14.636,274 14.636,275 14.636,276 12.232,277 31.524,278 4.926,279 15.694,280 4.229,281 2.542,282 1.322,283 0.911,284 0.911,285 0.911,286 4.05,287 2,290 1,291 527,292 3.606,294 58.579,295 153.546,297 110.6,298 1.378,299 26.222,301 0.75,302 0.83,303 0.83,304 0.9,305 1,306 0.83,307 1,308 0.88,309 59.667,310 256,311 4.715,312 3.812,313 7.179,314 4.359,315 3.419,316 4.389,317 1.225,318 12.626,319 3.216,320 4.292,321 3.358,322 6.583,323 3.905,324 2.98,325 3.912,326 0.842,327 10.407,328 2.738,329 3.887,330 3.188,331 6.116,332 3.619,333 2.67,334 3.132,335 0.308,336 8.652,337 2.526,338 3.641,339 2.891,340 5.681,341 3.295,342 2.367,343 2.912,345 7.332,346 2.192,347 3.391,348 2.595,349 5.245,350 3.117,351 2.185,352 2.589,354 6.351,355 1.985,356 3.145,357 2.33,358 5.157,359 2.828,360 1.904,361 2.246,363 5.811,364 1.751,365 2.987,366 2.16,367 4.875,368 2.673,369 1.782,370 2.08,372 5.235,373 1.509,374 2.74,375 1.804,376 4.305,377 2.287,378 1.351,379 1.812,381 3.63,382 1.247,383 2.349,384 1.435,385 3.979,386 2.247,387 1.247,388 1.272,390 2.747,391 1.212,392 2.247,393 1.247,394 3.466,395 2.051,396 1.079,397 1.247,399 2.117,400 1.041,401 1.91,402 1.062,403 3.247,404 1.582,405 0.644,406 0.748,408 1.442,409 0.59,410 1.713,411 0.704,412 3.079,413 1.51,414 0.513,415 0.587,417 0.897,418 0.507,419 1.471,420 0.448,421 2.667,422 1.27,423 0.285,424 0.338,426 0.455,427 0.273,428 1.152,429 0.407,430 2.579,431 0.734,432 -0.116,433 -0.137,435 -0.275,436 -0.086,437 0.795,438 0.256,439 2.534,440 0.555,441 -0.445,442 -0.445,444 -0.632,445 -0.293,446 13.862,447 0.495,448 0.751,449 0.027,450 30.5,451 1.089,452 12,453 0.429,454 18.5,455 0.661,456 33.144,457 1.184,458 31.738,459 0.567,460 22.361,461 0.799,462 5.264,463 0.188,464 8.158,465 0.291,466 0.271,468 0.375,471 0.665,472 1.667,473 0.632,474 1.13,475 0.554,476 1.061,477 0.702,478 1.115,479 0.615,480 0.817,481 0.494,482 0.831,483 0.86,484 1.11,485 0.777,486 0.884,487 0.756,488 0.838,489 1.184,490 1.05,491 0.766,492 0.801,493 1.27,494 0.844,495 0.976,496 1.202,497 0.855,498 1.053,499 0.834,500 1.06,501 1.127,502 1.107,503 0.777,504 0.965,505 1.241,506 1.045,507 1.118,508 1.025,509 0.987,510 1.101,511 1.355,512 1.147,513 0.913,514 0.745,515 0.82,516 0.824,517 1.144,518 0.898,519 5.5,520 0.074,521 3.556,522 2.819,523 2.629,524 1.792,525 1.327,526 0.536,527 0.314,528 0.167,529 7483,530 19927,531 1.972,532 50,533 13,534 7,535 2,538 2,539 4,541 1.722,542 1.787,543 3.135,544 -0.742,547 88.367,548 1.578,549 3.265,550 4.485,551 4.896,552 4.896,553 4.896,554 2.66,555 4.522,556 4.775,557 3.27,558 1235.96,559 8.369,560 15456.8,563 325.212,564 1.56,565 4.702,566 0.183,567 0.007,568 0.083,569 0.056,570 0.049,571 0.033,572 0.026,573 0.014,574 0.012,575 0.01,576 0.474,577 0.33,578 0.88,579 1.461,580 136.076,581 0.006,582 -0.36,583 0.029,584 -0.119,585 -0.022,586 -0.048,587 0.141,588 0.06,589 0.13,590 0.119,591 0.108,592 0.127,593 0.114,594 -0.018,595 0.11,596 0.068,597 0.079,598 0.124,599 0.007,600 0.061,601 0.097,602 0.124,603 0.001,604 0.088,605 -0.048,606 -0.054,607 -0.077,608 -0.12,609 -0.025,610 -0.11,611 -0.127,612 -0.036,613 -0.046,614 -0.047,615 -0.072,616 -0.101,617 -0.053,618 -0.068,619 -0.102,620 -0.149,621 -0.026,622 -0.184,623 -0.02,624 0.092,625 0.081,626 0.133,627 -0.062,628 0.085,629 1.652,630 6.18,631 0.536,632 23.286,633 0.998,634 1.134,635 5.301,636 28.102,637 0.662,638 3.434,639 3.784,640 4.127,641 4.477,642 4.771,643 4.949,644 5.056,645 5.182,646 5.198,647 5.193,648 5.479,649 0.613,650 423.43,651 3.434,652 4.99,653 5.872,654 6.79,655 7.706,656 8.637,657 9.565,658 10.502,659 11.436,660 12.375,661 7.1,667 1,668 2,670 1,673 3,674 1,677 6,678 1,679 11,680 1,682 1,685 2,686 56,687 12,688 1,689 30,690 58,691 21,692 9,693 3,694 3,695 1,696 3,697 4,698 2,701 3,705 6,706 10,707 11,709 1,710 1,712 1,716 28,717 4,719 7,720 2,721 1,722 4,725 0.667,726 1,735 1,736 2,738 1,749 2,752 4,753 2,755 28,758 6,762 1,763 2,767 2,768 1.8,771 1,774 15.667,775 11.336,776 6.417,777 4.02,778 2.075,779 1.279,780 0.949,781 6.948,782 9.518,783 3.624,784 4.201,785 4.801,786 5.391,787 5.871,788 6.189,789 6.471,790 6.814,791 7.096,792 7.339,793 1,794 50,795 10.409,796 4.354,797 7.651,798 20.2,799 16.56,800 2.151,801 60.222,804 329.591,805 99.525,806 24.933,807 78.297,808 25.145,811 99.525,812 433.033,813 24.933,814 34.872,815 17.474,816 28.429,817 48.963,818 14.781,819 28.627,820 306.049,821 78.297,822 329.591,823 124.459,824 25.145,825 78.297,826 282.506,827 72.229,829 51.301,830 56.372,831 95.083,833 329.591,834 50.078,835 177.823,836 329.591,837 36.225,838 71.448,840 120.228,841 329.591,842 50.078,843 177.823,844 0.573,845 0.356,846 0.213,847 0.13,848 20,849 11,850 0.121,851 7,852 1,853 1.133,854 3.599,855 256.344,856 0.133,857 15,858 128.606,860 21.475,861 9.06,862 4.081,864 48.179,865 5.426,866 4.911,869 4.26,870 2.192,872 557.492,873 36.5,874 13.18,876 0.015,877 55.869,878 63.488,879 0.272,880 0.562,881 0.772,882 0.843,883 0.843,884 0.843,885 4.896,886 1.351,887 5.889,888 5.235,889 4.466,890 4.887,891 1.641,892 6.792,893 4.326,894 6.105,895 1.247,896 7.507,897 3.63,898 4.205,899 4.832,900 0.57,901 7.883,902 3.938,903 7.433,904 1.079,905 9.229,906 2.747,907 6.138,908 7.069,909 1.696,910 11.062,911 5.867,912 8.801,913 0.644,914 11.01,915 2.117,916 6.698,917 7.847,918 0.889,919 12.99,920 6.322,921 10.204,922 0.513,923 12.829,924 1.442,925 8.137,926 9.599,927 1.889,928 15.716,929 7.736,930 11.633,931 0.285,932 14.674,933 0.897,934 9.061,935 10.745,936 1.233,937 17.993,938 8.575,939 13.083,940 -0.116,941 16.54,942 0.455,943 10.33,944 12.319,945 2.144,946 20.574,947 9.803,948 3.419,949 -0.445,950 18.422,951 -0.275,952 11.414,953 13.633,954 1.618,955 22.996,956 10.814,957 2.98,958 12.626,959 20.316,960 -0.632,961 12.631,962 15.137,963 2.438,964 25.532,965 11.98,966 2.67,967 10.407,968 22.22,969 4.389,970 13.785,971 16.53,972 2.03,973 28.014,974 13.068,975 2.367,976 8.652,977 24.134,978 3.912,979 14.99,980 18.008,981 2.758,982 30.539,983 14.218,984 2.185,985 7.332,986 26.054,987 3.132,988 16.176,989 19.437,990 2.456,991 33.047,992 15.342,993 1.904,994 6.351,995 27.981,996 2.912,997 17.382,998 20.906,999 3.098,1000 35.572,1001 16.49,1002 1.782,1003 5.811,1004 29.913,1005 2.589,1006 18.584,1007 22.354,1008 2.887,1009 38.092,1010 17.632,1011 7640,1012 12742,1013 19.016,1014 37.091,1015 45.343,1016 46.482,1017 49.025,1018 45.306,1019 44.852,1020 54.528,1021 4.75,1022 135.405,1023 41.573,1024 5.666,1025 5.812,1026 6.981,1027 5.434,1028 5.419,1029 7.389,1030 2.326,1031 20.332,1032 5.216,1033 17.79,1034 1.511,1035 1.549,1036 1.634,1037 1.51,1038 1.495,1039 1.818,1040 0.158,1041 4.514,1042 1.386,1043 4.091,1044 4.14,1045 4.128,1046 3.935,1047 7.428,1048 3.954,1049 3.876,1050 3.902,1051 3.989,1052 3.8,1053 5.029,1054 3.8,1055 3.698,1056 3.758,1057 3.611,1058 3.556,1059 4.842,1060 3.548,1061 3.545,1062 3.621,1063 3.551,1064 3.348,1065 4.626,1066 3.348,1067 3.501,1068 3.586,1069 3.413,1070 3.344,1071 4.228,1072 3.32,1073 3.29,1074 3.387,1075 3.279,1076 3.077,1077 4.176,1078 3.067,1079 3.124,1080 3.209,1081 3.14,1082 2.932,1083 4.045,1084 2.932,1085 3.022,1086 3.088,1087 3.073,1088 2.85,1089 4.04,1090 2.827,1091 0.157,1092 0.127,1093 0.239,1094 0.145,1095 0.114,1096 4.715,1097 0.146,1098 3.812,1099 0.041,1100 7.179,1101 0.421,1102 4.359,1103 0.107,1104 3.419,1105 4.389,1106 1.225,1107 12.626,1108 3.216,1109 1.901,1110 1.877,1111 2.048,1112 2.047,1113 1.399,1114 2.04,1115 1.836,1116 1.784,1117 1.949,1118 1.979,1119 1.126,1120 1.986,1121 1.634,1122 1.586,1123 1.861,1124 1.824,1125 1.09,1126 1.824,1127 1.582,1128 1.512,1129 1.854,1130 1.776,1131 1.051,1132 1.804,1133 1.539,1134 1.459,1135 1.78,1136 1.738,1137 0.93,1138 1.785,1139 1.248,1140 1.156,1141 1.573,1142 1.498,1143 0.756,1144 1.528,1145 1.141,1146 1.053,1147 1.436,1148 1.396,1149 0.55,1150 1.415,1151 0.969,1152 0.912,1153 1.24,1154 1.225,1155 0.416,1156 1.236,1157 4.111,1159 5.451,1160 2.398,1161 7.002,1162 4.844,1163 8.662,1164 7.081,1165 10.382,1166 8.281,1167 12.575,1171 5.37,1175 0.277,1176 3.736,1178 34.304,1179 88.367,1180 182.851,1181 251.173,1182 274.192,1183 274.192,1184 274.192,1185 59.439,1186 7.444,1187 41.37,1188 41.37,1189 17,1190 12.872,1191 3.7,1192 2.907,1193 49.077,1194 91,1195 101,1196 0.275,1197 220.304,1198 380.35,1199 529.302,1200 14488,1201 3.6,1202 20.422,1203 0.729,1204 0.661,1205 21.422,1206 18.517,1207 13.421,1208 0.447,1209 0.359,1210 9.963,1211 12.428,1212 9.542,1213 8.02,1214 13.999,1215 10.771,1216 11.855,1217 0.276,1218 0.19,1219 12.634,1220 8.167,1221 10.192,1222 0.167,1223 0.095,1224 10.786,1225 5.788,1226 8.888,1227 0.102,1228 0.052,1229 9.625,1230 4.49,1231 7.458,1232 0.064,1233 0.027,1234 7.86,1235 3.119,1236 0.41,1237 89.562,1238 0.229,1239 25.751,1240 0.831,1241 146,1242 392.723,1243 189.383,1244 440.51,1245 590.58,1246 410,1247 177,1248 401.038,1249 213.914,1250 424.055,1251 633.87,1252 399,1253 5} {0 CHEMBL2087549,1 1.432,2 12.056,3 5.506,4 30.317,5 144.047,6 6.583,7 0.4,8 4.402,9 4.524,10 3.877,11 3.884,12 5.355,13 3.853,14 4.991,15 5.185,16 4.172,17 4.258,18 5.843,19 4.203,20 5.172,21 5.387,22 4.323,23 4.435,24 6.002,25 4.359,26 5.326,27 5.558,28 4.451,29 4.553,30 6.164,31 4.477,32 5.423,33 5.627,34 4.537,35 4.685,36 6.311,37 4.603,38 5.568,39 5.787,40 4.563,41 4.808,42 6.386,43 4.695,44 5.708,45 5.97,46 4.426,47 4.82,48 6.444,49 4.661,50 5.63,51 5.906,52 4.266,53 4.688,54 6.348,55 4.505,56 0.065,57 1.053,58 18.176,59 7.511,60 12.448,61 10.223,62 0.399,63 1.67,64 34.468,65 11.568,66 31.193,67 16.491,68 0.356,69 2.054,70 40.689,71 14.288,72 32.773,73 20.855,74 0.616,75 2.36,76 48.026,77 15.7,78 43.785,79 23.672,80 0.88,81 2.613,82 53.073,83 17.914,84 60.296,85 26.151,86 0.442,87 2.972,88 60.197,89 22.091,90 52.227,91 31.992,92 0.906,93 3.17,94 70.602,95 24.155,96 67.028,97 35.812,98 0.668,99 2.814,100 64.947,101 23.152,102 60.441,103 34.106,104 34,105 56,106 0.222,107 0.51,108 0.741,109 0.799,110 0.807,111 0.816,112 3.616,113 0.993,114 -4.51,115 -4.44,116 -4.18,117 38.7,118 1,119 5,120 2,121 3,122 5,127 5,128 2,129 3,130 1,135 2,146 1,150 10,153 13,160 6,164 2,165 17,172 2,176 3,177 10,185 5,190 5,191 12,199 15,204 11,212 22,217 3,218 6,226 15,231 3,232 8,240 11,247 7,255 5,261 2328,262 25.204,263 25.204,264 25.204,265 25.204,266 25.204,267 23.417,268 29.813,269 14.933,270 26.056,271 19.588,272 19.588,273 19.588,274 19.588,275 19.588,276 16.555,277 35.21,278 6.776,279 20.668,280 4.797,281 2.946,282 1.452,283 1.08,284 1.027,285 0.974,286 4.316,290 1,291 942,292 3.937,293 63.482,294 77.757,295 325.461,297 147.213,298 1.731,299 24.573,301 1,302 0.67,303 0.83,304 1,305 1,306 0.83,307 0.5,308 0.83,309 77.5,310 434,311 4.767,312 3.482,313 7.081,314 4.329,315 3.369,316 4.711,317 1.151,318 12.282,319 3.231,320 4.453,321 3.315,322 6.784,323 4.078,324 3.113,325 4.146,326 0.86,327 11.172,328 3.001,329 3.925,330 2.867,331 6.057,332 3.711,333 2.737,334 3.352,335 0.86,336 8.694,337 2.676,338 3.684,339 2.698,340 5.588,341 3.533,342 2.548,343 2.84,344 0.86,345 7.563,346 2.504,347 3.534,348 2.625,349 5.402,350 3.434,351 2.454,352 2.708,353 0.8,354 7.128,355 2.402,356 3.47,357 2.555,358 5.334,359 3.139,360 2.179,361 2.604,363 6.708,364 2.088,365 3.355,366 2.492,367 5.19,368 2.972,369 2.061,370 2.548,372 6.118,373 1.876,374 3.246,375 2.29,376 5.097,377 2.926,378 1.973,379 2.48,381 5.817,382 1.867,383 2.961,384 1.995,385 4.925,386 2.666,387 1.721,388 2.094,390 5.236,391 1.619,392 2.849,393 1.835,394 4.303,395 2.402,396 1.434,397 1.932,399 3.585,400 1.393,401 2.436,402 1.716,403 3.684,404 2.282,405 1.385,406 1.434,408 3.031,409 1.221,410 2.205,411 1.445,412 3.591,413 1.969,414 1.078,415 1.175,417 2.371,418 0.963,419 2.082,420 1.251,421 3.49,422 1.94,423 1,424 1.015,426 2.136,427 0.922,428 2,429 1.2,430 3.247,431 1.787,432 0.872,433 1,435 1.78,436 0.789,437 1.749,438 0.916,439 3.095,440 1.499,441 0.557,442 0.64,444 1.113,445 0.519,446 17.033,447 0.473,448 0.684,449 0.019,450 39,451 1.083,452 15.5,453 0.431,454 23.5,455 0.653,456 42.175,457 1.172,458 41.167,459 0.549,460 31.808,461 0.884,462 7.302,463 0.203,464 10.358,465 0.288,466 0.117,468 0.341,471 0.844,472 1.437,473 0.882,474 1.307,475 0.796,476 1.131,477 1.496,478 1.108,479 1.015,480 0.914,481 1.243,482 0.9,483 0.912,484 1.184,485 0.902,486 1.035,487 0.802,488 0.972,489 0.854,490 1.048,491 0.873,492 0.903,493 0.753,494 0.875,495 1.039,496 1.065,497 1.097,498 1.013,499 0.963,500 1.043,501 0.885,502 1.251,503 1.074,504 1.204,505 0.919,506 1.167,507 0.932,508 0.986,509 1.115,510 1.024,511 1.094,512 1.079,513 0.693,514 1.074,515 1.009,516 1.142,517 0.81,518 1.123,519 6,520 0.191,521 3.167,522 3.194,523 2.344,524 1.618,525 1.399,526 0.701,527 0.397,528 0.385,529 17454,530 36981,531 2.12,532 52,533 7,534 24,538 2,539 6,541 1.783,542 2,543 3.477,544 -0.799,547 107.394,548 1.432,549 3.283,550 4.777,551 5.149,552 5.202,553 5.255,554 3.025,555 4.593,556 5.138,557 3.647,558 2297.72,559 9.084,560 34773.4,563 467.161,564 1.352,565 5.109,566 0.15,567 0.005,568 0.06,569 0.052,570 0.034,571 0.022,572 0.019,573 0.011,574 0.008,575 0.01,576 0.371,577 0.33,578 0.63,579 0.992,580 192.15,581 0.059,582 -0.168,583 0.096,584 -0.118,585 0.096,586 -0.024,587 -0.183,588 -0.001,589 0.021,590 0.119,591 -0.08,592 0.097,593 -0.001,594 -0.064,595 0.084,596 0.002,597 0.08,598 0.044,599 0.081,600 0.072,601 0.123,602 0.092,603 0.14,604 0.114,605 0.051,606 0.082,607 -0.086,608 0.012,609 0.072,610 -0.044,611 -0.065,612 -0.156,613 -0.108,614 -0.15,615 -0.033,616 -0.136,617 -0.057,618 0.03,619 -0.139,620 -0.043,621 -0.147,622 -0.094,623 0.067,624 -0.112,625 -0.055,626 -0.155,627 0.033,628 -0.126,629 1.008,630 2.351,631 0.667,632 37.926,633 0.994,634 1.131,635 3.284,636 10.787,637 0.634,638 3.714,639 4.043,640 4.357,641 4.71,642 4.997,643 5.165,644 5.357,645 5.513,646 5.602,647 5.717,648 6.894,649 0.592,650 493.71,651 3.714,652 5.263,653 6.142,654 7.048,655 7.953,656 8.872,657 9.788,658 10.713,659 11.634,660 12.563,661 4,666 1,668 1,670 1,672 1,673 5,674 1,677 7,679 16,682 1,684 2,686 75,687 16,688 1,689 40,690 79,691 29,692 13,693 4,694 2,696 5,697 6,701 1,702 4,703 2,705 5,706 13,707 16,708 2,716 39,717 6,719 7,722 3,725 0.8,726 4,729 1,730 1,734 1,735 1,736 3,738 1,748 2,749 4,752 4,755 36,758 10,760 4,762 2,763 1,768 5.3,772 2,773 2,774 18,775 14.6,776 8.222,777 4.808,778 3.377,779 1.408,780 0.962,781 8.164,782 11.663,783 3.892,784 4.474,785 5.107,786 5.78,787 6.365,788 6.8,789 7.28,790 7.744,791 8.06,792 8.456,793 1,794 61,795 13.369,796 5.586,797 7.444,798 26.587,799 22.296,800 1.944,801 70,804 459.073,805 146.789,806 20.951,808 44,811 146.789,812 503.073,813 20.951,814 41.474,815 30.661,816 47.381,817 38.663,818 48.66,819 4.901,820 459.073,822 459.073,823 167.741,824 44,826 388.446,827 92.626,828 22,829 43.407,830 107.67,831 16.663,833 459.073,834 64.951,835 146.789,836 459.073,837 57.934,838 93.144,840 60.663,841 459.073,842 64.951,843 146.789,844 0.566,845 0.338,846 0.205,847 0.121,848 27,849 12,850 0.139,851 11,852 1,853 1.083,854 4.434,855 370.614,856 0.083,857 24,858 172.117,860 25.529,861 11.513,862 5.599,863 1.141,864 63.787,865 10.475,866 5.173,869 6.798,872 670.813,873 48,877 74.519,878 84.806,879 0.23,880 0.527,881 0.767,882 0.827,883 0.835,884 0.844,885 5.153,886 1.973,887 6.125,888 6.118,889 4.727,890 5.162,891 2.202,892 6.991,893 4.637,894 6.347,895 1.721,896 7.71,897 5.817,898 4.369,899 5.075,900 0.325,901 8.036,902 4.269,903 7.667,904 1.434,905 9.4,906 5.236,907 6.372,908 7.393,909 2.11,910 11.179,911 6.216,912 9.027,913 1.385,914 11.154,915 3.585,916 6.847,917 8.189,918 0.268,919 13.074,920 6.671,921 10.426,922 1.078,923 12.949,924 3.031,925 8.321,926 10.011,927 2.122,928 15.765,929 8.1,930 11.852,931 1,932 14.773,933 2.371,934 9.18,935 11.214,936 0.188,937 18.014,938 8.927,939 13.301,940 0.872,941 16.62,942 2.136,943 10.458,944 12.852,945 2.21,946 20.562,947 10.163,948 3.369,949 0.557,950 18.484,951 1.78,952 11.497,953 14.241,954 0.125,955 22.954,956 11.162,957 3.113,958 12.282,959 20.363,960 1.113,961 12.705,962 15.81,963 2.359,964 25.458,965 12.329,966 2.737,967 11.172,968 22.253,969 4.711,970 13.826,971 17.279,972 0.082,973 27.906,974 13.406,975 2.548,976 8.694,977 24.152,978 4.146,979 15.015,980 18.824,981 2.553,982 30.398,983 14.553,984 2.454,985 7.563,986 26.06,987 3.352,988 16.174,989 20.33,990 0.054,991 32.87,992 15.668,993 2.179,994 7.128,995 27.974,996 2.84,997 17.36,998 21.867,999 2.777,1000 35.359,1001 16.811,1002 2.061,1003 6.708,1004 29.894,1005 2.708,1006 18.537,1007 23.391,1008 0.035,1009 37.843,1010 17.944,1011 16609,1012 24342,1013 27.046,1014 47.54,1015 58.984,1016 60.375,1017 62.403,1018 58.909,1019 58.994,1020 71.625,1021 9.062,1022 173.039,1023 56.003,1024 5.767,1025 5.482,1026 6.883,1027 5.403,1028 5.369,1029 7.711,1030 2.302,1031 20.027,1032 5.231,1033 16.248,1034 1.475,1035 1.509,1036 1.56,1037 1.473,1038 1.475,1039 1.791,1040 0.227,1041 4.326,1042 1.4,1043 4.173,1044 4.216,1045 4.147,1046 4.043,1047 5.065,1048 4.062,1049 3.929,1050 3.973,1051 3.866,1052 3.831,1053 4.866,1054 3.832,1055 3.88,1056 3.907,1057 3.78,1058 3.775,1059 4.617,1060 3.772,1061 3.814,1062 3.863,1063 3.678,1064 3.677,1065 4.605,1066 3.669,1067 3.54,1068 3.599,1069 3.421,1070 3.424,1071 4.58,1072 3.415,1073 3.4,1074 3.446,1075 3.253,1076 3.161,1077 4.35,1078 3.171,1079 3.328,1080 3.404,1081 3.163,1082 3.098,1083 4.284,1084 3.104,1085 3.303,1086 3.355,1087 3.144,1088 3.006,1089 4.134,1090 3.026,1091 0.119,1092 0.087,1093 0.177,1094 0.108,1095 0.084,1096 4.767,1097 0.118,1098 3.482,1099 0.029,1100 7.081,1101 0.307,1102 4.329,1103 0.081,1104 3.369,1105 4.711,1106 1.151,1107 12.282,1108 3.231,1109 1.993,1110 1.972,1111 2.065,1112 2.114,1113 1.426,1114 2.096,1115 1.849,1116 1.81,1117 2.034,1118 2.014,1119 1.235,1120 2.023,1121 1.78,1122 1.745,1123 1.91,1124 1.918,1125 1.148,1126 1.913,1127 1.644,1128 1.589,1129 1.858,1130 1.832,1131 1.04,1132 1.841,1133 1.458,1134 1.387,1135 1.72,1136 1.67,1137 1.004,1138 1.694,1139 1.318,1140 1.271,1141 1.627,1142 1.627,1143 0.825,1144 1.623,1145 1.227,1146 1.163,1147 1.59,1148 1.558,1149 0.825,1150 1.565,1151 1.153,1152 1.082,1153 1.537,1154 1.438,1155 0.732,1156 1.474,1157 4.394,1158 1.946,1159 5.72,1160 3.932,1161 7.258,1162 5.861,1163 8.896,1164 7.776,1165 10.591,1166 7.298,1171 10.227,1173 22.709,1175 1.454,1176 2.634,1178 44.406,1179 107.394,1180 246.213,1181 358.268,1182 386.142,1183 390.142,1184 394.142,1185 57.092,1186 8.286,1187 57.46,1188 57.46,1189 26,1190 13.068,1191 4.087,1192 3.17,1193 53.989,1194 148,1195 174,1196 0.18,1197 267.857,1198 465.44,1199 645.332,1200 44856,1202 25.07,1203 0.696,1204 0.614,1205 25.07,1206 22.087,1207 17.66,1208 0.442,1209 0.331,1210 13.004,1211 16.806,1212 12.595,1213 10.465,1214 17.66,1215 13.238,1216 15.123,1217 0.27,1218 0.18,1219 15.123,1220 10.069,1221 12.863,1222 0.167,1223 0.093,1224 12.863,1225 7.191,1226 11.468,1227 0.104,1228 0.049,1229 11.468,1230 5.337,1231 9.848,1232 0.067,1233 0.027,1234 9.848,1235 3.986,1236 0.275,1237 111.919,1238 0.192,1239 32.196,1240 0.518,1241 192,1242 511.877,1243 210.066,1244 476.041,1245 663.6,1246 454,1247 232,1248 489.142,1249 252.788,1250 496.73,1251 735.71,1252 463,1253 5} {0 CHEMBL2179195,1 1.568,2 12.2,3 5.018,4 25.176,5 141.753,6 6.996,7 0.395,8 4.364,9 4.478,10 3.915,11 3.83,12 5.348,13 3.793,14 4.958,15 5.146,16 4.247,17 4.202,18 5.854,19 4.149,20 5.107,21 5.313,22 4.388,23 4.365,24 5.967,25 4.293,26 5.229,27 5.433,28 4.522,29 4.502,30 6.106,31 4.419,32 5.402,33 5.603,34 4.681,35 4.652,36 6.306,37 4.556,38 5.482,39 5.677,40 4.597,41 4.72,42 6.352,43 4.586,44 5.561,45 5.804,46 4.43,47 4.637,48 6.4,49 4.473,50 5.385,51 5.638,52 4.172,53 4.435,54 6.174,55 4.284,56 0.029,57 1.01,58 17.687,59 7.366,60 11,61 9.492,62 0.51,63 1.593,64 36.191,65 11.225,66 35.98,67 15.181,68 0.532,69 1.901,70 41.157,71 13.379,72 34.578,73 18.713,74 0.559,75 2.165,76 46.293,77 15.772,78 38.991,79 21.748,80 0.891,81 2.527,82 60.301,83 18.963,84 57.698,85 25.009,86 0.615,87 2.75,88 68.105,89 21.776,90 52.679,91 27.8,92 1.407,93 2.659,94 75.12,95 22.095,96 84.221,97 29.521,98 0.667,99 2.152,100 57.399,101 18.188,102 57.573,103 25.101,104 59,105 52,106 0.246,107 0.515,108 0.742,109 0.799,110 0.817,111 0.817,112 3.589,113 1.047,114 -4.06,115 -4.01,116 -3.8,117 36.1,118 2,119 4,121 3,122 5,124 1,127 2,128 2,129 3,131 1,134 1,135 1,136 1,146 1,150 4,152 1,153 13,160 5,164 4,165 8,172 2,176 4,177 6,185 3,190 4,191 17,199 9,204 5,212 4,217 8,218 11,226 5,231 1,232 4,240 1,247 8,255 7,261 2183,262 24.524,263 24.524,264 24.524,265 24.524,266 24.524,267 22.867,268 33.211,269 14.833,270 25.767,271 18.548,272 18.548,273 18.548,274 18.548,275 18.548,276 15.685,277 46.938,278 6.678,279 20.168,280 4.602,281 2.889,282 1.449,283 1.084,284 0.969,285 0.969,286 4.284,290 1,291 900,292 4.123,294 162.039,295 226.792,296 132.929,298 1.886,299 27.969,301 0.75,302 0.67,303 0.67,304 0.9,305 1,306 0.67,307 0.5,308 0.74,309 76.5,310 427,311 4.79,312 3.531,313 7.117,314 4.331,315 3.397,316 4.745,317 1.151,318 12.412,319 3.181,320 4.451,321 3.336,322 6.821,323 4.081,324 3.126,325 4.136,326 0.86,327 11.304,328 2.971,329 3.962,330 2.936,331 6.211,332 3.684,333 2.745,334 3.356,335 0.86,336 9.167,337 2.577,338 3.636,339 2.732,340 5.71,341 3.37,342 2.408,343 2.845,344 0.86,345 7.574,346 2.319,347 3.453,348 2.555,349 5.329,350 3.081,351 2.156,352 2.674,353 0.86,354 6.655,355 1.989,356 3.355,357 2.539,358 5.19,359 2.972,360 2.061,361 2.604,362 0.8,363 6.118,364 1.867,365 3.141,366 2.363,367 5.048,368 2.806,369 1.898,370 2.35,372 5.529,373 1.725,374 2.836,375 1.991,376 4.656,377 2.586,378 1.676,379 1.866,381 4.537,382 1.509,383 2.665,384 1.892,385 4.247,386 2.385,387 1.453,388 1.72,390 3.512,391 1.337,392 2.461,393 1.658,394 3.624,395 2.274,396 1.395,397 1.459,399 2.875,400 1.213,401 2.444,402 1.447,403 3.56,404 2.151,405 1.248,406 1.443,408 2.617,409 1.112,410 2.182,411 1.272,412 3.546,413 1.969,414 1.041,415 1.145,417 2.355,418 0.963,419 2,420 1.2,421 3.319,422 1.901,423 1,424 1,426 2.136,427 0.88,428 1.85,429 1.088,430 3.247,431 1.593,432 0.708,433 0.787,435 1.481,436 0.617,437 1.603,438 0.916,439 3.107,440 1.339,441 0.458,442 0.504,444 0.781,445 0.399,446 16.7,447 0.477,448 0.599,449 0.017,450 37,451 1.057,452 14,453 0.4,454 23,455 0.657,456 42.328,457 1.209,458 40.9,459 0.568,460 29.62,461 0.846,462 7.018,463 0.201,464 10.141,465 0.29,466 0.15,468 0.317,471 0.867,472 1.483,473 0.818,474 1.266,475 0.833,476 1.142,477 1.452,478 1.073,479 0.936,480 0.856,481 1.219,482 0.824,483 0.952,484 1.026,485 0.795,486 0.885,487 0.844,488 0.863,489 0.742,490 1.152,491 0.802,492 0.995,493 0.738,494 0.957,495 1.023,496 1.078,497 1.073,498 1.055,499 0.912,500 0.966,501 1.199,502 1.316,503 1.534,504 1.417,505 1.217,506 1.25,507 0.978,508 1.006,509 1.37,510 1.194,511 1.067,512 1.088,513 1.015,514 1.054,515 1.066,516 1.115,517 0.995,518 1.076,519 5,520 0.209,521 3.333,522 3.007,523 2.451,524 1.744,525 1.261,526 0.818,527 0.496,528 0.271,529 15462,530 36657,531 2.058,532 51.4,533 5,534 22,535 1,539 5,540 4,541 1.775,542 1.927,543 3.496,544 -0.737,547 112.909,548 1.568,549 3.281,550 4.721,551 5.086,552 5.201,553 5.201,554 3.065,555 4.651,556 5.094,557 3.677,558 2187.87,559 8.992,560 32631.2,563 444.235,564 1.404,565 5.06,566 0.132,567 0.006,568 0.064,569 0.051,570 0.037,571 0.024,572 0.019,573 0.015,574 0.011,575 0.007,576 0.366,577 0.33,578 0.75,579 1.421,580 185.866,581 0.031,582 -0.216,583 0.1,584 -0.123,585 0.048,586 -0.048,587 -0.152,588 0.019,589 0.083,590 0.16,591 -0.045,592 0.158,593 0.03,594 0.083,595 0.161,596 0.119,597 0.073,598 0.139,599 0.132,600 -0.025,601 0.156,602 0.034,603 0.123,604 0.061,605 0.044,606 0.059,607 0.07,608 0.057,609 0.103,610 0.043,611 -0.183,612 -0.153,613 -0.259,614 -0.198,615 -0.192,616 -0.216,617 0.087,618 0.026,619 -0.165,620 -0.096,621 0.019,622 -0.103,623 -0.048,624 -0.092,625 -0.083,626 -0.134,627 -0.008,628 -0.09,629 1.022,630 2.331,631 0.571,632 38.46,633 1.001,634 1.132,635 2.833,636 8.025,637 0.637,638 3.664,639 3.97,640 4.331,641 4.691,642 4.963,643 5.142,644 5.342,645 5.472,646 5.602,647 5.69,648 6.964,649 0.594,650 503.73,651 3.664,652 5.198,653 6.075,654 6.98,655 7.891,656 8.814,657 9.738,658 10.669,659 11.6,660 12.535,661 4.2,666 1,668 1,670 1,672 1,673 3,674 1,676 1,677 7,679 15,682 1,684 3,686 72,687 15,688 1,689 38,690 75,691 26,692 11,693 4,694 2,696 4,697 5,701 2,702 3,705 5,706 11,707 15,716 37,717 7,719 9,720 1,722 3,725 0.75,726 5,729 1,735 2,736 2,737 1,748 2,749 3,751 1,752 5,755 35,758 9,760 5,762 1,763 1,765 1,768 6.9,772 2,773 3,774 18.167,775 14.433,776 8.25,777 4.65,778 3.099,779 1.379,780 0.94,781 9.556,782 11.275,783 3.839,784 4.413,785 5.08,786 5.764,787 6.3,788 6.78,789 7.272,790 7.629,791 8.044,792 8.406,793 1,794 59,795 12.976,796 5.296,797 7.514,798 25.471,799 20.511,800 2.014,801 70.5,804 435.531,805 166.295,806 20.951,808 54.999,810 31.278,811 135.018,812 490.53,813 20.951,814 50.3,815 30.613,816 26.602,817 38.663,818 57.22,819 19.342,820 455.037,822 435.531,823 155.969,824 54.999,825 31.278,826 329.591,827 138.94,828 22,829 49.745,830 89.561,831 16.663,832 31.278,833 435.531,834 75.951,835 166.295,836 435.531,837 89.394,838 81.189,840 71.662,841 435.531,842 75.951,843 166.295,844 0.554,845 0.347,846 0.212,847 0.129,848 23,849 11,850 0.16,851 12,852 1,853 1.1,854 4.284,855 347.307,856 0.1,857 20,858 167.525,859 1,860 26.516,861 12.614,862 5.579,863 1.057,864 74.787,865 6.137,866 4.91,868 1.666,869 5.934,872 677.777,873 45.5,877 72.04,878 81.52,879 0.254,880 0.532,881 0.765,882 0.824,883 0.843,884 0.843,885 5.086,886 1.676,887 6.052,888 5.529,889 4.654,890 5.1,891 2.354,892 6.93,893 4.504,894 6.268,895 1.453,896 7.643,897 4.537,898 4.205,899 4.997,900 0.325,901 7.989,902 4.028,903 7.587,904 1.395,905 9.343,906 3.512,907 6.286,908 7.347,909 2.235,910 11.175,911 6.023,912 8.953,913 1.248,914 11.111,915 2.875,916 6.758,917 8.185,918 0.268,919 13.111,920 6.455,921 10.364,922 1.041,923 12.923,924 2.617,925 8.259,926 10,927 2.214,928 15.819,929 7.889,930 11.805,931 1,932 14.765,933 2.355,934 9.143,935 11.24,936 0.188,937 18.093,938 8.72,939 13.268,940 0.708,941 16.629,942 2.136,943 10.436,944 12.872,945 2.274,946 20.653,947 9.952,948 3.397,949 0.458,950 18.509,951 1.481,952 11.501,953 14.284,954 0.125,955 23.06,956 10.955,957 3.126,958 12.412,959 20.402,960 0.781,961 12.723,962 15.852,963 2.4,964 25.573,965 12.116,966 2.745,967 11.304,968 22.305,969 4.745,970 13.865,971 17.337,972 0.082,973 28.033,974 13.194,975 2.408,976 9.167,977 24.216,978 4.136,979 15.066,980 18.886,981 2.578,982 30.534,983 14.333,984 2.156,985 7.574,986 26.133,987 3.356,988 16.241,989 20.403,990 0.054,991 33.016,992 15.442,993 2.061,994 6.655,995 28.056,996 2.845,997 17.439,998 21.946,999 2.792,1000 35.515,1001 16.577,1002 1.898,1003 6.118,1004 29.983,1005 2.674,1006 18.63,1007 23.479,1008 0.035,1009 38.008,1010 17.702,1011 15235,1012 23680,1013 25.255,1014 45.881,1015 55.539,1016 57.11,1017 59.72,1018 55.347,1019 55.508,1020 67.506,1021 10.782,1022 161.227,1023 51.038,1024 5.79,1025 5.531,1026 6.98,1027 5.467,1028 5.397,1029 7.745,1030 2.302,1031 20.184,1032 5.181,1033 18.03,1034 1.462,1035 1.503,1036 1.572,1037 1.457,1038 1.461,1039 1.776,1040 0.284,1041 4.243,1042 1.343,1043 4.16,1044 4.19,1045 4.374,1046 4.074,1047 5.099,1048 4.054,1049 3.899,1050 3.923,1051 3.876,1052 3.804,1053 4.882,1054 3.806,1055 3.812,1056 3.857,1057 3.734,1058 3.665,1059 4.613,1060 3.656,1061 3.637,1062 3.707,1063 3.477,1064 3.49,1065 4.58,1066 3.471,1067 3.526,1068 3.58,1069 3.398,1070 3.304,1071 4.579,1072 3.307,1073 3.353,1074 3.396,1075 3.365,1076 3.188,1077 4.487,1078 3.178,1079 3.303,1080 3.355,1081 3.144,1082 3.006,1083 4.198,1084 3.026,1085 3.239,1086 3.314,1087 3.071,1088 3.005,1089 4.138,1090 2.994,1091 0.126,1092 0.093,1093 0.187,1094 0.114,1095 0.089,1096 4.79,1097 0.125,1098 3.531,1099 0.03,1100 7.117,1101 0.327,1102 4.331,1103 0.084,1104 3.397,1105 4.745,1106 1.151,1107 12.412,1108 3.181,1109 1.925,1110 1.914,1111 2.03,1112 2.034,1113 1.389,1114 2.026,1115 1.833,1116 1.784,1117 1.998,1118 2.019,1119 1.233,1120 2.019,1121 1.658,1122 1.594,1123 1.935,1124 1.847,1125 1.186,1126 1.88,1127 1.519,1128 1.494,1129 1.804,1130 1.776,1131 0.946,1132 1.775,1133 1.502,1134 1.464,1135 1.637,1136 1.697,1137 0.852,1138 1.674,1139 1.417,1140 1.351,1141 1.59,1142 1.652,1143 0.825,1144 1.638,1145 1.242,1146 1.204,1147 1.577,1148 1.558,1149 0.738,1150 1.565,1151 1.227,1152 1.163,1153 1.564,1154 1.492,1155 0.673,1156 1.52,1157 4.344,1159 5.652,1160 3.045,1161 7.175,1162 5.476,1163 8.809,1164 7.644,1165 10.508,1166 9.265,1171 7.941,1173 28.718,1175 0.407,1176 2.493,1178 42.781,1179 112.909,1180 236.241,1181 339.931,1182 366.196,1183 374.46,1184 374.46,1185 61.421,1186 8.176,1187 66.69,1188 94.93,1189 22,1190 13.035,1191 4,1192 3.087,1193 59.084,1194 145,1195 184,1196 0.203,1197 264.528,1198 455.84,1199 637.209,1200 38323,1202 24.786,1203 0.708,1204 0.637,1205 25.139,1206 22.281,1207 17.159,1208 0.452,1209 0.349,1210 12.189,1211 15.729,1212 11.708,1213 9.772,1214 17.613,1215 13.258,1216 14.148,1217 0.272,1218 0.182,1219 14.673,1220 9.457,1221 12.582,1222 0.168,1223 0.099,1224 13.286,1225 7.389,1226 11.1,1227 0.103,1228 0.053,1229 12.018,1230 5.674,1231 9.514,1232 0.067,1233 0.03,1234 10.438,1235 4.229,1236 0.312,1237 114.326,1238 0.199,1239 31.555,1240 0.582,1241 180,1242 548.473,1243 224.891,1244 520.389,1245 718.22,1246 496,1247 217,1248 510.349,1249 263.769,1250 526.284,1251 782.98,1252 490,1253 5} {0 CHEMBL265635,1 1.673,2 94.661,3 -11.854,4 140.508,5 1185.22,6 7.028,7 0.047,8 6.57,9 6.714,10 6.026,11 5.952,12 7.727,13 5.94,14 7.143,15 7.341,16 6.384,17 6.355,18 8.315,19 6.3,20 7.514,21 7.745,22 6.528,23 6.557,24 8.664,25 6.491,26 7.655,27 7.894,28 6.66,29 6.64,30 8.839,31 6.601,32 7.712,33 7.925,34 6.85,35 6.732,36 9.149,37 6.707,38 7.826,39 8.043,40 6.897,41 6.865,42 9.128,43 6.819,44 7.955,45 8.181,46 6.958,47 6.976,48 9.193,49 6.922,50 8.05,51 8.279,52 7.066,53 7.06,54 9.386,55 6.994,56 1.837,57 9.504,58 155.8,59 55.92,60 312.169,61 81.212,62 5.901,63 14.19,64 296.869,65 93.875,66 942.979,67 142.564,68 11.202,69 17.299,70 445.563,71 118.737,72 1644.84,73 185.352,74 12.657,75 18.848,76 522.053,77 121.905,78 2090.53,79 198.946,80 17.81,81 20.632,82 552.425,83 133.538,84 3184.94,85 212.225,86 17.966,87 23.276,88 614.05,89 160.388,90 2838.32,91 245.412,92 17.812,93 25.855,94 701.249,95 180.104,96 3172.7,97 280.353,98 22.11,99 28.12,100 779.048,101 201.726,102 3967.61,103 314.975,104 13285,105 454,106 0.175,107 0.362,108 0.539,109 0.663,110 0.75,111 0.803,112 5.811,113 1.009,114 -18.08,115 -17.33,116 -15.72,117 30.7,118 27,119 48,120 11,121 2,122 11,124 42,127 5,128 1,130 2,134 2,138 52,139 3,140 2,143 13,144 13,145 13,147 7,149 7,150 55,151 7,152 2,153 20,154 11,155 58,156 3,157 48,159 6,160 39,161 6,162 5,163 3,164 3,165 51,166 1,167 41,168 42,169 77,170 1,171 3,172 8,174 5,177 73,178 1,180 8,181 6,182 59,183 7,184 1,185 1,187 9,190 46,191 55,192 8,193 2,194 59,195 13,196 66,197 5,198 4,199 35,201 8,203 19,204 64,205 6,206 5,207 67,208 50,209 72,210 1,211 6,212 56,213 2,215 2,217 12,218 80,219 1,220 4,221 20,222 13,223 59,224 7,225 8,226 60,227 14,228 3,229 1,231 45,232 81,233 9,234 10,235 67,236 20,237 91,238 5,239 12,240 67,241 13,243 9,246 20,247 86,248 5,249 12,250 74,251 49,252 94,253 1,254 5,255 68,256 5,257 1,258 8,261 1284250,262 212.021,263 212.021,264 212.021,265 212.021,266 212.021,267 201.242,268 228.855,269 126.086,270 214.692,271 165.217,272 165.217,273 165.217,274 165.217,275 165.217,276 146.733,277 215.929,278 59.184,279 168.715,280 7.73,281 5.951,282 4.263,283 3.076,284 2.246,285 1.74,286 6.48,291 63614,292 20.433,294 6073.88,295 1815.06,298 15.223,299 901.735,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 759,310 31522,311 4.353,312 4.093,313 6.868,314 4.205,315 3.241,316 3.509,317 2.95,318 11.361,319 3.12,320 4.177,321 4.093,322 6.553,323 4.031,324 3.046,325 3.508,326 2.95,327 10.246,328 2.993,329 4.172,330 4.011,331 6.469,332 4.023,333 3.045,334 3.507,335 2.341,336 9.946,337 2.974,338 4.17,339 3.888,340 6.403,341 4.01,342 3.03,343 3.474,344 2.341,345 9.734,346 2.967,347 4.161,348 3.88,349 6.402,350 4.007,351 3.023,352 3.332,353 2.341,354 9.719,355 2.96,356 4.145,357 3.879,358 6.401,359 3.97,360 2.987,361 3.326,362 2.341,363 9.712,364 2.927,365 4.134,366 3.875,367 6.293,368 3.965,369 2.982,370 3.325,371 2.341,372 9.37,373 2.923,374 4.13,375 3.871,376 6.246,377 3.959,378 2.976,379 3.312,380 2.341,381 9.364,382 2.918,383 4.121,384 3.868,385 6.246,386 3.948,387 2.965,388 3.304,389 2.341,390 9.304,391 2.906,392 4.113,393 3.862,394 6.226,395 3.946,396 2.963,397 3.302,398 2.038,399 9.277,400 2.901,401 4.105,402 3.856,403 6.22,404 3.934,405 2.951,406 3.289,407 2.013,408 9.271,409 2.893,410 4.095,411 3.848,412 6.218,413 3.923,414 2.938,415 3.28,416 2.012,417 9.238,418 2.884,419 4.083,420 3.841,421 6.207,422 3.914,423 2.929,424 3.269,425 2.011,426 9.212,427 2.875,428 4.074,429 3.834,430 6.193,431 3.9,432 2.915,433 3.265,434 2.01,435 9.161,436 2.862,437 4.062,438 3.823,439 6.181,440 3.89,441 2.905,442 3.259,443 2.008,444 9.136,445 2.853,446 150.667,447 0.452,448 10.508,449 0.032,450 308,451 0.925,452 96.5,453 0.29,454 211.5,455 0.635,456 901.483,457 2.707,458 409.133,459 0.604,460 721.304,461 2.166,462 58.544,463 0.176,464 97.792,465 0.294,466 0.27,468 0.374,471 0.813,472 1.621,473 0.905,474 1.322,475 0.674,476 1.158,477 0.518,478 1.476,479 0.912,480 1.379,481 0.497,482 1.215,483 0.947,484 1.067,485 1.009,486 1.073,487 0.976,488 1.075,489 1.23,490 1.061,491 0.976,492 0.92,493 1.189,494 0.9,495 1.026,496 1.112,497 0.946,498 0.997,499 1.037,500 0.971,501 1.072,502 1.005,503 1.028,504 1.024,505 1.118,506 1.042,507 1.166,508 1.089,509 1.033,510 1.032,511 1.153,512 1.019,513 0.929,514 1.115,515 0.988,516 1.098,517 0.93,518 1.058,519 86,520 6.95,521 41.556,522 23.118,523 24.631,524 15.976,525 11.746,526 12.385,527 8.755,528 6.495,529 9792600,530 30228800,531 1.844,532 50.8,533 81,534 75,535 2,536 2,537 77,538 26,539 77,540 4,541 2.206,542 1.664,543 6.43,544 57.857,547 1132.53,548 1.673,549 3.452,550 5.14,551 6.327,552 7.157,553 7.663,554 5.919,555 8.171,556 8.349,557 6.702,558 370482,559 15.427,560 37404300,563 6365.84,564 1.584,565 8.258,566 0.255,567 0.008,568 0.092,569 0.046,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.518,577 0.17,578 0.25,579 2.276,580 3185.2,581 -0.124,582 -0.109,583 -0.01,584 0.013,585 -0.069,586 0.025,587 0.178,588 -0.178,589 0.034,590 -0.152,591 0.119,592 -0.09,593 -0.014,594 0.041,595 -0.047,596 -0.041,597 -0.082,598 -0.054,599 -0.169,600 -0.024,601 0.012,602 0.052,603 -0.131,604 0.082,605 0.107,606 -0.021,607 0.054,608 0.013,609 0.124,610 0.022,611 0.005,612 0.097,613 -0.043,614 0.003,615 -0.028,616 -0.035,617 -0.112,618 -0.025,619 -0.045,620 0.001,621 -0.075,622 -0.005,623 0.084,624 -0.055,625 0.011,626 -0.05,627 0.093,628 -0.037,629 3.502,630 8.477,631 0.078,632 2619.25,633 1.015,634 1.151,635 -22.853,636 522.281,637 0.603,638 5.823,639 6.12,640 6.265,641 6.43,642 6.589,643 6.646,644 6.736,645 6.839,646 6.838,647 6.866,648 52.556,649 0.578,650 4758.26,651 5.823,652 7.367,653 8.172,654 9.027,655 9.858,656 10.715,657 11.559,658 12.417,659 13.268,660 14.128,661 8.9,662 8,667 45,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 677,687 71,688 1,689 337,690 681,691 208,692 12,693 1,694 5,696 5,697 5,699 3,701 31,702 6,705 90,706 67,707 141,708 11,709 55,710 52,711 3,712 55,716 344,717 121,718 77,719 125,720 2,721 2,722 60,725 1,726 63,727 3,728 1,733 2,735 4,736 1,740 5,741 38,742 2,743 7,744 8,747 11,749 5,750 2,751 2,752 29,755 333,756 13,757 11,758 59,759 38,761 2,762 53,763 2,768 9.3,769 4,770 7,771 52,774 200.167,775 120.6,776 75.639,777 40.569,778 0.56,779 1.049,780 0.869,781 143.851,782 11.954,783 5.994,784 6.382,785 6.577,786 6.803,787 7.053,788 7.034,789 7.152,790 7.354,791 7.329,792 7.359,793 0.984,794 502,795 130.807,796 60.463,797 8.312,798 227.59,799 181.73,800 2.812,801 936.5,804 3142.88,805 768.379,806 1235.82,808 1777.05,810 64.439,811 703.94,812 4919.94,813 1235.82,814 252.661,815 1254.41,816 236.209,817 1898.75,818 92.627,819 29.239,820 3160.24,822 3142.88,823 1939.76,824 1777.05,825 64.439,826 2189.43,827 2559.78,828 170.733,829 1599.37,830 306.818,831 33.571,832 64.439,833 3142.88,834 3012.87,835 768.379,836 3142.88,837 433.005,838 341.623,839 717.98,840 2288.64,841 3142.88,842 3012.87,843 768.379,844 0.576,845 0.313,846 0.156,847 0.09,848 128,849 113,850 0.239,851 163,853 1,854 18.631,855 6200.35,857 26,858 2744.33,859 2,860 301.53,861 158.864,862 116.449,864 2979.3,865 12.732,866 8.356,867 5.379,869 0.439,871 1615.16,872 6924.14,873 400,874 739.575,875 11.825,876 -64.267,877 687.352,878 778.889,879 0.178,880 0.367,881 0.547,882 0.673,883 0.761,884 0.815,885 7.266,886 2.976,887 8.173,888 9.37,889 6.812,890 7.074,891 5.985,892 8.943,893 6.777,894 8.425,895 2.965,896 9.725,897 9.364,898 6.521,899 6.939,900 5.479,901 9.806,902 6.498,903 9.699,904 2.963,905 11.374,906 9.304,907 8.381,908 8.897,909 7.273,910 12.844,911 8.31,912 10.993,913 2.951,914 13.075,915 9.277,916 8.834,917 9.492,918 7.235,919 14.478,920 8.773,921 12.314,922 2.938,923 14.811,924 9.271,925 10.212,926 10.977,927 8.833,928 17.053,929 10.105,930 13.649,931 2.929,932 16.571,933 9.238,934 10.991,935 11.875,936 8.816,937 19.021,938 10.886,939 14.998,940 2.915,941 18.347,942 9.212,943 12.187,944 13.19,945 10.598,946 21.421,947 12.044,948 3.241,949 2.905,950 20.135,951 9.161,952 13.122,953 14.225,954 10.361,955 23.552,956 12.97,957 3.046,958 11.361,959 21.934,960 9.136,961 14.244,962 15.474,963 12.519,964 25.886,965 14.061,966 3.045,967 10.246,968 23.74,969 3.509,970 15.256,971 16.576,972 11.908,973 28.104,974 15.056,975 3.03,976 9.946,977 25.553,978 3.508,979 16.352,980 17.799,981 14.545,982 30.42,983 16.123,984 3.023,985 9.734,986 27.372,987 3.507,988 17.401,989 18.937,990 13.473,991 32.69,992 17.151,993 2.987,994 9.719,995 29.194,996 3.474,997 18.49,998 20.152,999 16.632,1000 35.011,1001 18.212,1002 2.982,1003 9.712,1004 31.021,1005 3.332,1006 19.561,1007 21.312,1008 15.061,1009 37.316,1010 19.259,1011 9748000,1012 17128300,1013 203.855,1014 408.39,1015 501.329,1016 536.591,1017 522.837,1018 492.118,1019 492.652,1020 562.611,1021 248.287,1022 1367.75,1023 484.175,1024 5.353,1025 6.093,1026 6.777,1027 5.273,1028 5.241,1029 6.509,1030 5.9,1031 19.072,1032 5.12,1033 350.658,1034 1.488,1035 1.592,1036 1.551,1037 1.46,1038 1.462,1039 1.669,1040 0.737,1041 4.059,1042 1.437,1043 4.429,1044 4.49,1045 4.315,1046 4.226,1047 7.568,1048 4.235,1049 3.948,1050 3.997,1051 3.877,1052 3.848,1053 7.472,1054 3.843,1055 3.932,1056 3.988,1057 3.87,1058 3.769,1059 7.472,1060 3.785,1061 3.917,1062 3.975,1063 3.865,1064 3.738,1065 7.472,1066 3.76,1067 3.909,1068 3.951,1069 3.864,1070 3.731,1071 7.472,1072 3.752,1073 3.884,1074 3.931,1075 3.841,1076 3.71,1077 7.472,1078 3.722,1079 3.879,1080 3.926,1081 3.836,1082 3.702,1083 7.472,1084 3.715,1085 3.876,1086 3.923,1087 3.805,1088 3.699,1089 7.463,1090 3.711,1091 0.013,1092 0.012,1093 0.02,1094 0.012,1095 0.01,1096 4.353,1097 0.01,1098 4.093,1099 0.009,1100 6.868,1101 0.034,1102 4.205,1103 0.009,1104 3.241,1105 3.509,1106 2.95,1107 11.361,1108 3.12,1109 1.927,1110 1.897,1111 2.057,1112 2.041,1113 1.342,1114 2.041,1115 1.833,1116 1.785,1117 2.028,1118 2.031,1119 1.336,1120 2.023,1121 1.831,1122 1.783,1123 2.027,1124 2.03,1125 1.331,1126 2.023,1127 1.822,1128 1.773,1129 2.022,1130 2.024,1131 1.324,1132 2.015,1133 1.822,1134 1.772,1135 2.021,1136 2.021,1137 1.32,1138 2.013,1139 1.82,1140 1.772,1141 2.019,1142 2.019,1143 1.317,1144 2.012,1145 1.816,1146 1.768,1147 2.017,1148 2.016,1149 1.317,1150 2.012,1151 1.806,1152 1.757,1153 2.013,1154 2.009,1155 1.312,1156 1.996,1157 6.515,1159 7.82,1160 3.714,1161 9.272,1162 5.9,1163 10.797,1164 7.832,1165 12.366,1166 43.754,1169 73.526,1170 112.875,1171 -24.171,1172 92.873,1174 2.359,1175 -80.995,1176 2.24,1178 391.496,1179 1132.53,1180 2337.34,1181 3479.58,1182 4283.5,1183 4845.47,1184 5188.04,1185 10180.1,1186 11.393,1187 2006.49,1188 2057.09,1189 26,1190 14.681,1191 6.17,1192 6,1193 2343.7,1194 10706,1195 10678,1196 0.099,1197 2469.2,1198 4599.57,1199 6016.6,1200 4568000,1202 251.558,1203 0.755,1204 0.585,1205 252.265,1206 194.749,1207 156.336,1208 0.464,1209 0.336,1210 108.904,1211 147.329,1212 105.905,1213 88.21,1214 157.543,1215 113.353,1216 143.424,1217 0.316,1218 0.192,1219 144.278,1220 87.372,1221 102.643,1222 0.196,1223 0.104,1224 103.201,1225 54.782,1226 76.763,1227 0.124,1228 0.057,1229 77.229,1230 35.588,1231 60.159,1232 0.083,1233 0.032,1234 60.706,1235 22.904,1236 0.169,1237 1010.53,1238 0.07,1239 175.587,1240 0.242,1241 1582,1242 5703.5,1243 1858.81,1244 5359.76,1245 6756.76,1246 4902,1247 1770,1248 4450.45,1249 2013.76,1250 4421.65,1251 6352.14,1252 4137,1253 7.897} {0 CHEMBL265847,1 1.692,2 94.519,3 -13.769,4 189.585,5 1202.48,6 7.152,7 0.049,8 6.58,9 6.722,10 6.048,11 5.96,12 7.76,13 5.954,14 7.145,15 7.339,16 6.409,17 6.361,18 8.357,19 6.311,20 7.518,21 7.745,22 6.548,23 6.564,24 8.683,25 6.505,26 7.659,27 7.893,28 6.689,29 6.649,30 8.863,31 6.616,32 7.727,33 7.938,34 6.875,35 6.737,36 9.203,37 6.718,38 7.827,39 8.04,40 6.916,41 6.867,42 9.148,43 6.827,44 7.954,45 8.174,46 6.989,47 6.982,48 9.201,49 6.936,50 8.063,51 8.288,52 7.11,53 7.066,54 9.454,55 7.011,56 2.11,57 9.586,58 153.991,59 55.594,60 358.013,61 80.032,62 6.322,63 14.267,64 293.484,65 94.134,66 1021.79,67 141.628,68 11.833,69 17.448,70 445.4,71 118.304,72 1798.88,73 183.645,74 13.306,75 19.04,76 521.186,77 122.553,78 2177.49,79 198.49,80 19.326,81 20.747,82 558.711,83 133.995,84 3494.56,85 212.215,86 18.892,87 23.326,88 611.334,89 160.168,90 3091.18,91 243.504,92 18.272,93 26.032,94 695.868,95 179.446,96 3226.7,97 276.792,98 24.695,99 28.316,100 789.865,101 201.209,102 4457.38,103 312.884,104 14115,105 465,106 0.177,107 0.371,108 0.553,109 0.685,110 0.773,111 0.821,112 5.835,113 0.994,114 -18.84,115 -18.05,116 -16.36,117 30.8,118 23,119 49,120 10,121 2,122 11,124 41,127 9,128 2,129 1,130 1,134 1,137 1,138 53,139 5,140 1,143 16,144 16,145 16,147 9,149 9,150 55,151 9,152 2,153 23,154 14,155 63,156 4,157 54,159 8,160 41,161 5,162 7,163 4,164 3,165 49,166 1,167 40,168 39,169 74,170 4,171 2,172 13,174 3,177 72,178 4,179 1,180 11,181 11,182 65,183 7,184 5,185 2,187 11,189 1,190 51,191 53,192 10,193 5,194 66,195 13,196 67,197 7,198 5,199 33,200 2,201 9,203 21,204 67,205 5,206 5,207 68,208 47,209 72,210 3,211 3,212 54,213 5,214 1,215 1,216 1,217 10,218 88,219 7,220 3,221 17,222 19,223 72,224 9,225 14,226 55,227 17,228 9,231 52,232 86,233 10,234 14,235 77,236 23,237 91,238 7,239 12,240 63,241 15,242 1,243 7,244 3,246 21,247 94,248 9,249 17,250 78,251 46,252 95,253 6,254 7,255 75,256 7,258 8,259 2,261 1355600,262 216.736,263 216.736,264 216.736,265 216.736,266 216.736,267 204.767,268 236.988,269 129.068,270 219.385,271 169.299,272 169.299,273 169.299,274 169.299,275 169.299,276 149.18,277 220.398,278 60.74,279 172.749,280 7.719,281 5.867,282 4.124,283 2.868,284 2.028,285 1.565,286 6.504,291 65049,292 20.64,294 4640.86,295 3754.09,298 15.369,299 955.519,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 780,310 32231,311 4.338,312 4.094,313 6.842,314 4.188,315 3.226,316 3.626,317 2.95,318 11.269,319 3.101,320 4.187,321 4.093,322 6.496,323 4.034,324 3.05,325 3.509,326 2.95,327 10.074,328 3.009,329 4.178,330 3.994,331 6.441,332 4.019,333 3.034,334 3.491,335 2.341,336 9.878,337 2.983,338 4.168,339 3.936,340 6.437,341 4.017,342 3.032,343 3.474,344 2.341,345 9.857,346 2.978,347 4.163,348 3.89,349 6.436,350 4.013,351 3.028,352 3.355,353 2.341,354 9.854,355 2.975,356 4.16,357 3.883,358 6.419,359 4.002,360 3.017,361 3.333,362 2.341,363 9.799,364 2.956,365 4.156,366 3.88,367 6.401,368 3.983,369 2.999,370 3.331,371 2.341,372 9.726,373 2.942,374 4.131,375 3.879,376 6.359,377 3.969,378 2.984,379 3.325,380 2.341,381 9.561,382 2.931,383 4.127,384 3.87,385 6.333,386 3.96,387 2.975,388 3.311,389 2.341,390 9.463,391 2.921,392 4.125,393 3.864,394 6.251,395 3.959,396 2.974,397 3.298,398 2.341,399 9.379,400 2.919,401 4.111,402 3.862,403 6.249,404 3.957,405 2.973,406 3.295,407 2.341,408 9.368,409 2.916,410 4.104,411 3.854,412 6.236,413 3.932,414 2.946,415 3.294,416 2.255,417 9.32,418 2.897,419 4.095,420 3.841,421 6.217,422 3.924,423 2.94,424 3.29,425 2.022,426 9.259,427 2.885,428 4.087,429 3.833,430 6.207,431 3.915,432 2.93,433 3.262,434 2.013,435 9.235,436 2.878,437 4.065,438 3.829,439 6.189,440 3.894,441 2.908,442 3.254,443 2.012,444 9.162,445 2.857,446 153.8,447 0.451,448 10.865,449 0.032,450 321.75,451 0.944,452 105,453 0.308,454 216.75,455 0.636,456 916.292,457 2.687,458 417.4,459 0.613,460 773.002,461 2.267,462 62.345,463 0.183,464 97.634,465 0.286,466 0.268,468 0.376,471 0.821,472 1.593,473 0.893,474 1.296,475 0.685,476 1.133,477 0.497,478 1.464,479 0.899,480 1.387,481 0.481,482 1.219,483 0.971,484 1.068,485 1.02,486 1.067,487 0.995,488 1.074,489 1.189,490 1.08,491 0.969,492 0.946,493 1.15,494 0.917,495 0.987,496 1.082,497 0.932,498 0.981,499 0.988,500 0.958,501 1.048,502 1.003,503 1.01,504 1.014,505 1.094,506 1.029,507 1.17,508 1.114,509 1.035,510 1.057,511 1.159,512 1.032,513 0.924,514 1.082,515 0.974,516 1.068,517 0.923,518 1.033,519 89,520 7.224,521 41.556,522 24.271,523 25.269,524 16.187,525 12.036,526 12.7,527 9.252,528 6.889,529 10259500,530 32846500,531 1.843,532 49.9,533 75,534 78,535 1,536 1,537 83,538 30,539 68,540 4,541 2.21,542 1.662,543 6.427,544 63.175,547 1152.47,548 1.692,549 3.545,550 5.288,551 6.543,552 7.384,553 7.847,554 5.925,555 8.189,556 8.382,557 6.699,558 388343,559 15.498,560 39337700,563 6409.24,564 1.584,565 8.292,566 0.258,567 0.008,568 0.089,569 0.047,570 0.042,571 0.023,572 0.016,573 0.016,574 0.011,575 0.008,576 0.519,577 0.17,578 0.25,579 1.903,580 3269.07,581 -0.133,582 -0.089,583 -0.015,584 0.027,585 -0.075,586 0.034,587 0.192,588 -0.164,589 0.036,590 -0.158,591 0.134,592 -0.096,593 -0.041,594 0.039,595 -0.063,596 -0.034,597 -0.101,598 -0.054,599 -0.158,600 -0.037,601 0.012,602 0.033,603 -0.127,604 0.069,605 0.127,606 -0.002,607 0.063,608 0.021,609 0.148,610 0.029,611 0.008,612 0.092,613 -0.032,614 0.015,615 -0.025,616 -0.021,617 -0.13,618 -0.042,619 -0.053,620 -0.017,621 -0.099,622 -0.016,623 0.102,624 -0.031,625 0.027,626 -0.03,627 0.111,628 -0.02,629 3.698,630 8.487,631 0.079,632 2719.38,633 1.018,634 1.15,635 -23.611,636 557.495,637 0.605,638 5.846,639 6.144,640 6.284,641 6.458,642 6.62,643 6.669,644 6.765,645 6.88,646 6.89,647 6.914,648 52.415,649 0.583,650 4870.26,651 5.846,652 7.391,653 8.195,654 9.05,655 9.881,656 10.738,657 11.581,658 12.441,659 13.291,660 14.152,661 9.1,662 10,667 46,668 1,669 4,670 1,673 11,674 1,675 1,677 4,679 17,683 1,686 681,687 76,688 2,689 345,690 685,691 210,692 15,693 3,694 9,696 5,697 5,699 4,700 1,701 25,702 6,705 90,706 74,707 136,708 10,709 59,710 55,711 4,712 59,716 340,717 128,718 83,719 131,720 2,721 1,722 62,725 1,726 67,727 1,728 1,733 2,735 3,736 2,739 1,740 6,741 37,742 1,743 9,744 10,747 11,749 5,750 2,751 2,752 25,755 341,756 16,757 12,758 60,759 38,761 2,762 51,763 2,768 9.8,769 2,770 10,771 55,774 205.167,775 119.8,776 77.306,777 40.219,778 0.637,779 1.056,780 0.871,781 146.1,782 12.079,783 6.025,784 6.419,785 6.604,786 6.846,787 7.139,788 7.089,789 7.199,790 7.438,791 7.43,792 7.46,793 0.984,794 514,795 134.328,796 62.652,797 8.363,798 231.543,799 184.583,800 2.863,801 976.167,804 3025.17,805 768.916,806 1317.72,808 1895.17,810 64.439,811 704.477,812 4920.34,813 1317.72,814 217.36,815 1359.85,816 179.7,817 2067.31,818 93.056,819 23.643,820 3066.07,822 3025.17,823 2022.2,824 1895.17,825 64.439,826 2177.65,827 2657.32,828 85.367,829 1658.13,830 347.285,831 16.786,832 64.439,833 3025.17,834 3212.9,835 768.916,836 3025.17,837 448.603,838 326.561,839 701.194,840 2505.45,841 3025.17,842 3212.9,843 768.916,844 0.576,845 0.31,846 0.157,847 0.091,848 131,849 116,850 0.242,851 166,853 1,854 18.786,855 6447.44,857 27,858 2811.54,859 2,860 307.915,861 161.798,862 119.797,864 3196.11,865 15.417,866 4.26,867 2.739,869 0.382,871 1739.75,872 7006.99,873 412.5,874 779.311,875 15.684,876 -73.869,877 693.214,878 783.477,879 0.18,880 0.377,881 0.562,882 0.695,883 0.785,884 0.834,885 7.296,886 2.984,887 8.196,888 9.726,889 6.836,890 7.111,891 6.047,892 8.965,893 6.802,894 8.458,895 2.975,896 9.747,897 9.561,898 6.547,899 6.986,900 5.57,901 9.826,902 6.522,903 9.735,904 2.974,905 11.394,906 9.463,907 8.404,908 8.943,909 7.338,910 12.865,911 8.334,912 11.03,913 2.973,914 13.094,915 9.379,916 8.852,917 9.533,918 7.34,919 14.499,920 8.792,921 12.35,922 2.946,923 14.829,924 9.368,925 10.232,926 11.027,927 8.897,928 17.076,929 10.129,930 13.686,931 2.94,932 16.587,933 9.32,934 11.008,935 11.914,936 8.942,937 19.047,938 10.907,939 15.033,940 2.93,941 18.363,942 9.259,943 12.206,944 13.243,945 10.654,946 21.448,947 12.069,948 3.226,949 2.908,950 20.152,951 9.235,952 13.14,953 14.266,954 10.51,955 23.58,956 12.995,957 3.05,958 11.269,959 21.951,960 9.162,961 14.264,962 15.531,963 12.564,964 25.913,965 14.09,966 3.034,967 10.074,968 23.758,969 3.626,970 15.275,971 16.622,972 12.083,973 28.129,974 15.086,975 3.032,976 9.878,977 25.572,978 3.509,979 16.372,980 17.863,981 14.577,982 30.441,983 16.156,984 3.028,985 9.857,986 27.391,987 3.491,988 17.422,989 18.993,990 13.671,991 32.705,992 17.187,993 3.017,994 9.854,995 29.215,996 3.474,997 18.512,998 20.226,999 16.654,1000 35.018,1001 18.251,1002 2.999,1003 9.799,1004 31.043,1005 3.355,1006 19.583,1007 21.38,1008 15.28,1009 37.315,1010 19.299,1011 10208700,1012 18267800,1013 208.537,1014 411.935,1015 513.083,1016 548.345,1017 535.394,1018 504.222,1019 504.466,1020 579.95,1021 264.083,1022 1399.96,1023 496.139,1024 5.338,1025 6.094,1026 6.751,1027 5.257,1028 5.226,1029 6.626,1030 5.9,1031 18.901,1032 5.101,1033 360.255,1034 1.487,1035 1.589,1036 1.552,1037 1.462,1038 1.462,1039 1.681,1040 0.765,1041 4.058,1042 1.438,1043 4.433,1044 4.492,1045 4.322,1046 4.232,1047 7.578,1048 4.241,1049 3.945,1050 3.995,1051 3.875,1052 3.855,1053 7.472,1054 3.851,1055 3.935,1056 3.982,1057 3.871,1058 3.839,1059 7.472,1060 3.836,1061 3.919,1062 3.958,1063 3.867,1064 3.763,1065 7.472,1066 3.778,1067 3.909,1068 3.951,1069 3.862,1070 3.734,1071 7.472,1072 3.755,1073 3.881,1074 3.928,1075 3.842,1076 3.705,1077 7.472,1078 3.718,1079 3.88,1080 3.925,1081 3.837,1082 3.703,1083 7.472,1084 3.717,1085 3.874,1086 3.921,1087 3.808,1088 3.697,1089 7.472,1090 3.711,1091 0.013,1092 0.012,1093 0.02,1094 0.012,1095 0.009,1096 4.338,1097 0.011,1098 4.094,1099 0.009,1100 6.842,1101 0.033,1102 4.188,1103 0.009,1104 3.226,1105 3.626,1106 2.95,1107 11.269,1108 3.101,1109 1.927,1110 1.897,1111 2.057,1112 2.043,1113 1.339,1114 2.041,1115 1.921,1116 1.895,1117 2.043,1118 2.041,1119 1.331,1120 2.04,1121 1.829,1122 1.781,1123 2.028,1124 2.03,1125 1.33,1126 2.02,1127 1.826,1128 1.778,1129 2.019,1130 2.027,1131 1.327,1132 2.018,1133 1.824,1134 1.777,1135 2.018,1136 2.022,1137 1.326,1138 2.015,1139 1.821,1140 1.773,1141 2.016,1142 2.019,1143 1.321,1144 2.011,1145 1.812,1146 1.764,1147 2.014,1148 2.015,1149 1.316,1150 2.007,1151 1.807,1152 1.76,1153 2.013,1154 2.013,1155 1.314,1156 2.003,1157 6.538,1159 7.844,1160 3.434,1161 9.296,1162 5.638,1163 10.822,1164 7.6,1165 12.392,1166 37.259,1169 90.255,1170 123.135,1171 -29.793,1172 90.866,1174 2.225,1175 -83.773,1176 2.067,1178 396.818,1179 1152.47,1180 2414.1,1181 3600.95,1182 4456.12,1183 5028.41,1184 5343.53,1185 10719.2,1186 11.442,1187 2139.67,1188 2190.27,1189 27,1190 14.704,1191 6.267,1192 6.098,1193 2444.96,1194 10912,1195 11486,1196 0.102,1197 2503.32,1198 4678.13,1199 6099.85,1200 4838510,1202 257.704,1203 0.756,1204 0.577,1205 258.411,1206 196.86,1207 159.979,1208 0.464,1209 0.331,1210 109.812,1211 150.639,1212 107.017,1213 88.964,1214 161.186,1215 114.319,1216 147.43,1217 0.317,1218 0.188,1219 148.284,1220 87.358,1221 104.022,1222 0.194,1223 0.104,1224 104.58,1225 55.466,1226 79.044,1227 0.124,1228 0.057,1229 79.51,1230 35.999,1231 62.388,1232 0.083,1233 0.031,1234 62.935,1235 22.969,1236 0.172,1237 1034.85,1238 0.069,1239 178.126,1240 0.248,1241 1620,1242 5972.46,1243 1908.64,1244 5613.74,1245 7058.48,1246 5126,1247 1810,1248 4642.63,1249 2058.88,1250 4610.03,1251 6612.05,1252 4312,1253 8.862} {0 CHEMBL267341,1 1.631,2 77.265,3 -7.446,4 55.44,5 1022.3,6 6.853,7 0.038,8 6.433,9 6.58,10 5.856,11 5.812,12 7.579,13 5.798,14 7.008,15 7.211,16 6.221,17 6.217,18 8.172,19 6.158,20 7.391,21 7.628,22 6.371,23 6.432,24 8.514,25 6.36,26 7.54,27 7.786,28 6.512,29 6.526,30 8.685,31 6.479,32 7.603,33 7.819,34 6.715,35 6.621,36 9.027,37 6.592,38 7.727,39 7.95,40 6.766,41 6.751,42 9.026,43 6.705,44 7.844,45 8.07,46 6.833,47 6.874,48 9.07,49 6.82,50 7.963,51 8.194,52 6.958,53 6.982,54 9.276,55 6.915,56 1.42,57 8.244,58 137.426,59 49.12,60 256.107,61 72.425,62 4.777,63 12.286,64 254.697,65 82.065,66 812.664,67 126.621,68 9.219,69 15.199,70 391.701,71 104.972,72 1412.32,73 166.145,74 10.235,75 16.726,76 460.513,77 109.688,78 1722.42,79 181.066,80 15.057,81 18.393,82 490.962,83 120.118,84 2748.25,85 193.242,86 15.848,87 20.769,88 555.654,89 142.356,90 2602.78,91 222.311,92 14.943,93 23.292,94 620.586,95 160.822,96 2739.83,97 253.257,98 18.875,99 25.948,100 699.054,101 184.671,102 3477.01,103 292.632,104 10301,105 388,106 0.175,107 0.355,108 0.534,109 0.666,110 0.748,111 0.803,112 5.663,113 1.004,114 -13.92,115 -13.37,116 -12.17,117 30.8,118 25,119 51,120 10,122 7,124 31,125 2,127 5,128 1,130 1,134 1,138 46,139 2,140 1,143 13,144 13,145 13,147 6,149 6,150 58,151 6,153 16,154 10,155 51,156 2,157 51,159 4,160 43,161 4,162 8,163 2,165 44,167 33,168 34,169 76,170 2,171 1,172 11,174 7,177 64,178 2,180 6,181 5,182 61,183 6,184 2,185 7,187 9,190 38,191 55,192 6,193 3,194 53,195 13,196 65,197 4,198 5,199 36,200 1,201 5,203 15,204 62,205 4,206 5,207 55,208 46,209 69,210 1,211 7,212 59,213 4,215 2,217 10,218 75,219 2,220 6,221 18,222 12,223 63,224 6,225 9,226 74,227 11,228 5,231 37,232 81,233 5,234 10,235 61,236 17,237 89,238 4,239 9,240 72,241 17,243 9,246 16,247 93,248 4,249 11,250 60,251 45,252 104,253 1,254 9,255 79,256 8,258 13,260 1,261 803619,262 182.217,263 182.217,264 182.217,265 182.217,266 182.217,267 173.107,268 191.343,269 109.167,270 183.586,271 141.861,272 141.861,273 141.861,274 141.861,275 141.861,276 126.259,277 180.711,278 51.424,279 143.688,280 7.584,281 5.898,282 4.228,283 2.987,284 2.224,285 1.71,286 6.33,291 44470,292 18.547,294 1312.34,295 1562.41,298 12.678,299 782.658,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 652.5,310 22175,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.145,339 3.881,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.976,351 2.992,352 3.338,353 2.341,354 9.418,355 2.935,356 4.139,357 3.866,358 6.252,359 3.966,360 2.982,361 3.317,362 2.341,363 9.384,364 2.924,365 4.133,366 3.863,367 6.244,368 3.961,369 2.978,370 3.309,371 2.013,372 9.345,373 2.919,374 4.119,375 3.856,376 6.239,377 3.95,378 2.966,379 3.299,380 2.012,381 9.342,382 2.911,383 4.108,384 3.847,385 6.225,386 3.939,387 2.953,388 3.288,389 2.011,390 9.283,391 2.9,392 4.092,393 3.833,394 6.216,395 3.924,396 2.939,397 3.282,398 2.009,399 9.259,400 2.886,401 4.084,402 3.821,403 6.212,404 3.91,405 2.924,406 3.276,407 2.007,408 9.238,409 2.873,410 4.077,411 3.816,412 6.188,413 3.902,414 2.916,415 3.256,416 2.005,417 9.155,418 2.867,419 4.056,420 3.806,421 6.178,422 3.893,423 2.904,424 3.241,425 2.002,426 9.148,427 2.865,428 4.032,429 3.788,430 6.16,431 3.877,432 2.888,433 3.221,434 1.999,435 9.068,436 2.846,437 4.007,438 3.769,439 6.138,440 3.857,441 2.869,442 3.196,443 1.995,444 8.989,445 2.824,446 129.567,447 0.451,448 9.119,449 0.032,450 262,451 0.913,452 82,453 0.286,454 180,455 0.627,456 773.009,457 2.693,458 354.033,459 0.596,460 607.331,461 2.116,462 49.943,463 0.174,464 84.61,465 0.295,466 0.273,467 0.008,468 0.351,471 0.798,472 1.616,473 0.933,474 1.361,475 0.663,476 1.18,477 0.484,478 1.486,479 0.858,480 1.381,481 0.476,482 1.228,483 0.948,484 1.086,485 1.027,486 1.095,487 0.972,488 1.08,489 1.188,490 1.059,491 0.977,492 0.933,493 1.136,494 0.895,495 1.004,496 1.138,497 0.962,498 1.037,499 1.004,500 0.99,501 1.105,502 0.993,503 1.052,504 1.011,505 1.133,506 1.017,507 1.196,508 1.101,509 1.069,510 1.053,511 1.18,512 1.031,513 0.92,514 1.137,515 0.986,516 1.114,517 0.924,518 1.073,519 77,520 6.237,521 34.889,522 20.41,523 21.946,524 14.285,525 10.28,526 10.815,527 8.345,528 5.777,529 5906660,530 17720900,531 1.834,532 51.7,533 88,534 50,535 1,536 1,537 68,538 29,539 70,541 2.183,542 1.656,543 6.143,544 50.956,547 968.596,548 1.631,549 3.316,550 4.986,551 6.227,552 6.99,553 7.505,554 5.653,555 7.928,556 8.134,557 6.409,558 263017,559 15.008,560 22262500,563 5473.31,564 1.631,565 8.042,566 0.266,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.529,577 0.17,578 0.38,579 2.558,580 2646.83,581 -0.117,582 -0.084,583 -0.019,584 0.01,585 -0.065,586 0.025,587 0.198,588 -0.184,589 0.064,590 -0.149,591 0.132,592 -0.09,593 -0.02,594 0.028,595 -0.043,596 -0.038,597 -0.086,598 -0.05,599 -0.154,600 -0.015,601 0.032,602 0.062,603 -0.121,604 0.096,605 0.126,606 -0.033,607 0.061,608 -0.003,609 0.137,610 0.014,611 0.002,612 0.106,613 -0.034,614 0.024,615 -0.022,616 -0.012,617 -0.125,618 -0.014,619 -0.062,620 0.002,621 -0.088,622 -0.01,623 0.084,624 -0.057,625 0.008,626 -0.053,627 0.086,628 -0.043,629 3.514,630 8.522,631 0.101,632 1865.65,633 1.013,634 1.151,635 -18.688,636 349.228,637 0.599,638 5.67,639 5.964,640 6.089,641 6.258,642 6.428,643 6.479,644 6.568,645 6.673,646 6.693,647 6.701,648 43.111,649 0.573,650 4070.41,651 5.67,652 7.212,653 8.01,654 8.865,655 9.692,656 10.549,657 11.39,658 12.249,659 13.097,660 13.958,661 8.6,662 7,667 40,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 594,687 59,688 1,689 289,690 596,691 183,692 9,693 1,694 5,696 3,697 3,699 2,701 29,702 9,705 82,706 57,707 126,708 12,709 48,710 46,711 2,712 48,716 307,717 103,718 68,719 104,721 1,722 51,725 1,726 53,727 1,735 1,736 1,740 6,741 34,743 6,744 7,747 7,749 3,752 25,755 287,756 13,757 7,758 58,759 34,762 41,764 2,768 8.9,769 1,770 6,771 46,774 173.333,775 105.75,776 65.278,777 36.344,778 0.541,779 1.049,780 0.871,781 126.587,782 11.663,783 5.839,784 6.22,785 6.387,786 6.612,787 6.893,788 6.86,789 6.964,790 7.164,791 7.166,792 7.182,793 1,794 432,795 112.964,796 52.185,797 8.301,798 196.622,799 156.697,800 2.801,801 804,804 2813.29,805 630.958,806 1107.17,808 1455.45,811 630.958,812 4268.74,813 1107.17,814 220.63,815 1181.92,816 99.112,817 1643.59,818 56.299,819 15.569,820 2789.75,822 2813.29,823 1738.13,824 1455.45,826 1989.32,827 2236.74,828 42.683,829 1464.29,830 257.058,831 16.786,833 2813.29,834 2562.62,835 630.958,836 2813.29,837 345.281,838 285.677,839 629.151,840 1933.47,841 2813.29,842 2562.62,843 630.958,844 0.574,845 0.306,846 0.155,847 0.092,848 106,849 95,850 0.23,851 137,853 1,854 16.228,855 5242.71,857 29,858 2311.33,860 261.987,861 138.673,862 105.726,864 2545.84,865 10.755,866 4.27,867 2.772,869 0.609,871 1355.6,872 6006.87,873 342.5,874 655.969,875 7.961,876 -57.576,877 601.639,878 683.657,879 0.177,880 0.36,881 0.541,882 0.676,883 0.759,884 0.814,885 7.11,886 2.966,887 8.015,888 9.345,889 6.655,890 6.912,891 5.753,892 8.789,893 6.631,894 8.271,895 2.953,896 9.569,897 9.342,898 6.389,899 6.8,900 5.347,901 9.739,902 6.375,903 9.548,904 2.939,905 11.224,906 9.283,907 8.236,908 8.733,909 6.898,910 12.765,911 8.179,912 10.846,913 2.924,914 12.939,915 9.259,916 8.716,917 9.347,918 7.096,919 14.557,920 8.668,921 12.171,922 2.916,923 14.694,924 9.238,925 10.097,926 10.819,927 8.203,928 17.167,929 10.009,930 13.514,931 2.904,932 16.48,933 9.155,934 10.915,935 11.736,936 8.671,937 19.353,938 10.826,939 14.87,940 2.888,941 18.289,942 9.148,943 12.127,944 13.048,945 9.598,946 21.858,947 12.005,948 3.451,949 2.869,950 20.119,951 9.068,952 13.111,953 14.102,954 10.211,955 24.242,956 12.979,957 3.45,958 13.16,959 21.966,960 8.989,961 14.266,962 15.356,963 11.058,964 26.748,965 14.106,966 3.047,967 13.158,968 23.83,969 3.651,970 15.334,971 16.479,972 11.755,973 29.231,974 15.158,975 3.001,976 9.912,977 25.708,978 3.65,979 16.478,980 17.714,981 12.57,982 31.762,983 16.278,984 2.992,985 9.781,986 27.599,987 3.501,988 17.594,989 18.875,990 13.317,991 34.293,992 17.374,993 2.982,994 9.418,995 29.504,996 3.473,997 18.745,998 20.107,999 14.125,1000 36.844,1001 18.502,1002 2.978,1003 9.384,1004 31.42,1005 3.338,1006 19.891,1007 21.293,1008 14.903,1009 39.399,1010 19.628,1011 5922010,1012 10259800,1013 174.14,1014 355.838,1015 428.01,1016 453.544,1017 446.277,1018 420.615,1019 420.728,1020 479.692,1021 204.527,1022 1164.46,1023 416.306,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 296.167,1034 1.481,1035 1.569,1036 1.544,1037 1.455,1038 1.456,1039 1.66,1040 0.708,1041 4.029,1042 1.441,1043 4.357,1044 4.417,1045 4.238,1046 4.16,1047 7.551,1048 4.169,1049 3.933,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.841,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.764,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.739,1067 3.887,1068 3.934,1069 3.813,1070 3.711,1071 7.472,1072 3.724,1073 3.88,1074 3.929,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.925,1081 3.802,1082 3.704,1083 7.463,1084 3.717,1085 3.87,1086 3.918,1087 3.794,1088 3.694,1089 7.436,1090 3.707,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.345,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.341,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.032,1131 1.34,1132 2.025,1133 1.831,1134 1.782,1135 2.028,1136 2.027,1137 1.338,1138 2.021,1139 1.823,1140 1.775,1141 2.017,1142 2.024,1143 1.336,1144 2.02,1145 1.819,1146 1.77,1147 2.014,1148 2.019,1149 1.335,1150 2.013,1151 1.808,1152 1.76,1153 2.012,1154 2.009,1155 1.33,1156 2.004,1157 6.361,1159 7.664,1160 2.398,1161 9.113,1162 4.443,1163 10.637,1164 6.26,1165 12.207,1166 39.358,1169 74.377,1170 71.446,1171 -23.892,1172 83.937,1175 -62.094,1177 -3.891,1178 340.406,1179 968.596,1180 1969.75,1181 2961.94,1182 3698.82,1183 4152.26,1184 4457.79,1185 11341.4,1186 11.122,1187 1727.51,1188 1727.51,1189 29,1190 14.511,1191 5.907,1192 5.768,1193 2652.66,1194 7537,1195 7728,1196 0.161,1197 2147.15,1198 4002.53,1199 5230.8,1200 2859280,1202 217.371,1203 0.757,1204 0.585,1205 217.371,1206 167.982,1207 134.553,1208 0.466,1209 0.335,1210 95.158,1211 127.934,1212 92.718,1213 77.466,1214 134.553,1215 96.731,1216 123.93,1217 0.319,1218 0.194,1219 123.93,1220 75.204,1221 86.044,1222 0.196,1223 0.105,1224 86.044,1225 46.361,1226 65.178,1227 0.125,1228 0.059,1229 65.178,1230 30.546,1231 51.795,1232 0.084,1233 0.031,1234 51.795,1235 19.393,1236 0.27,1237 857.731,1238 0.076,1239 157.169,1240 0.398,1241 1354,1242 4810.53,1243 1560.03,1244 4496.56,1245 5661.88,1246 4104,1247 1505,1248 3750.39,1249 1688.61,1250 3716.55,1251 5324.76,1252 3478,1253 8.886} {0 CHEMBL267382,1 1.629,2 77.347,3 -6.306,4 39.761,5 1014.44,6 6.855,7 0.038,8 6.427,9 6.573,10 5.85,11 5.805,12 7.572,13 5.792,14 7.003,15 7.204,16 6.213,17 6.209,18 8.169,19 6.15,20 7.385,21 7.623,22 6.364,23 6.423,24 8.505,25 6.35,26 7.529,27 7.774,28 6.499,29 6.516,30 8.676,31 6.469,32 7.594,33 7.811,34 6.7,35 6.612,36 9.011,37 6.582,38 7.718,39 7.941,40 6.754,41 6.741,42 9.013,43 6.693,44 7.835,45 8.062,46 6.82,47 6.861,48 9.062,49 6.807,50 7.949,51 8.179,52 6.944,53 6.967,54 9.259,55 6.901,56 1.44,57 8.162,58 136.583,59 49.065,60 256.825,61 72.015,62 4.863,63 12.191,64 253.341,65 81.511,66 823.144,67 125.69,68 9.223,69 15.074,70 389.694,71 104.376,72 1397.13,73 165.204,74 10.228,75 16.568,76 455.714,77 108.679,78 1715.05,79 178.927,80 14.937,81 18.215,82 487.016,83 119.557,84 2716.58,85 192.068,86 15.772,87 20.557,88 550.393,89 141.465,90 2560.75,91 220.701,92 15.028,93 23,94 615.409,95 159.297,96 2737.3,97 250.771,98 18.743,99 25.544,100 689.835,101 182.789,102 3437.29,103 288.818,104 9855,105 384,106 0.175,107 0.357,108 0.536,109 0.668,110 0.747,111 0.8,112 5.656,113 1.006,114 -12.98,115 -12.48,116 -11.37,117 30.8,118 24,119 52,120 9,122 8,124 31,125 2,127 5,128 1,130 1,134 1,138 45,139 2,140 1,143 11,144 11,145 11,147 8,149 8,150 57,151 8,153 15,154 7,155 50,156 2,157 51,159 4,160 41,161 6,162 6,163 2,165 44,167 33,168 34,169 77,170 2,171 1,172 11,174 6,177 64,178 2,180 5,181 4,182 61,183 8,184 1,185 7,187 10,190 37,191 54,192 8,193 2,194 51,195 12,196 64,197 6,198 2,199 36,200 1,201 5,203 14,204 61,205 6,206 2,207 54,208 47,209 69,210 1,211 6,212 59,213 4,215 2,217 10,218 73,219 2,220 5,221 18,222 12,223 60,224 8,225 9,226 72,227 15,228 3,231 36,232 80,233 7,234 10,235 60,236 16,237 88,238 6,239 6,240 71,241 20,243 5,246 14,247 91,248 6,249 6,250 57,251 45,252 104,253 1,254 6,255 75,256 10,257 1,258 11,261 795077,262 181.485,263 181.485,264 181.485,265 181.485,266 181.485,267 172.582,268 190.602,269 108.965,270 182.964,271 140.816,272 140.816,273 140.816,274 140.816,275 140.816,276 125.519,277 178.522,278 51.266,279 142.809,280 7.575,281 5.871,282 4.204,283 2.973,284 2.237,285 1.743,286 6.323,291 44246,292 18.439,294 1306,295 1554.37,298 12.589,299 776.24,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 648.5,310 22044,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.141,339 3.877,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.139,348 3.872,349 6.337,350 3.97,351 2.986,352 3.338,353 2.341,354 9.417,355 2.928,356 4.138,357 3.866,358 6.246,359 3.964,360 2.98,361 3.311,362 2.341,363 9.358,364 2.922,365 4.131,366 3.862,367 6.242,368 3.961,369 2.978,370 3.308,371 2.341,372 9.342,373 2.919,374 4.115,375 3.855,376 6.239,377 3.944,378 2.959,379 3.297,380 2.341,381 9.339,382 2.904,383 4.105,384 3.846,385 6.218,386 3.935,387 2.95,388 3.284,389 2.013,390 9.254,391 2.896,392 4.091,393 3.831,394 6.212,395 3.924,396 2.939,397 3.282,398 2.012,399 9.239,400 2.886,401 4.082,402 3.82,403 6.211,404 3.904,405 2.918,406 3.273,407 2.011,408 9.237,409 2.869,410 4.073,411 3.815,412 6.178,413 3.902,414 2.916,415 3.253,416 2.009,417 9.148,418 2.867,419 4.056,420 3.806,421 6.177,422 3.892,423 2.904,424 3.237,425 2.007,426 9.114,427 2.861,428 4.026,429 3.786,430 6.158,431 3.876,432 2.887,433 3.221,434 2.005,435 9.063,436 2.845,437 4.006,438 3.767,439 6.123,440 3.849,441 2.862,442 3.195,443 2.002,444 8.931,445 2.816,446 128.6,447 0.451,448 8.868,449 0.031,450 259.25,451 0.91,452 80.5,453 0.282,454 178.75,455 0.627,456 763.265,457 2.678,458 352,459 0.597,460 596.125,461 2.092,462 49.428,463 0.173,464 84.376,465 0.296,466 0.267,467 0.008,468 0.346,471 0.803,472 1.62,473 0.933,474 1.366,475 0.667,476 1.183,477 0.483,478 1.491,479 0.864,480 1.383,481 0.474,482 1.233,483 0.931,484 1.076,485 1.013,486 1.083,487 0.953,488 1.067,489 1.196,490 1.063,491 0.99,492 0.938,493 1.146,494 0.903,495 0.999,496 1.142,497 0.963,498 1.037,499 1.007,500 0.991,501 1.083,502 0.997,503 1.046,504 1.014,505 1.118,506 1.019,507 1.178,508 1.093,509 1.064,510 1.046,511 1.163,512 1.026,513 0.919,514 1.135,515 0.984,516 1.111,517 0.926,518 1.07,519 75,520 6.122,521 34.889,522 20.035,523 21.466,524 14.118,525 10.035,526 10.596,527 8.024,528 5.777,529 5852280,530 17590700,531 1.837,532 51.7,533 83,534 52,535 1,536 1,537 66,538 27,539 75,541 2.182,542 1.66,543 6.141,544 49.173,547 961.331,548 1.629,549 3.334,550 5.001,551 6.231,552 6.968,553 7.462,554 5.646,555 7.951,556 8.125,557 6.411,558 259468,559 14.988,560 21987600,563 5430.7,564 1.63,565 8.034,566 0.261,567 0.008,568 0.091,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.524,577 0.17,578 0.38,579 2.062,580 2627.39,581 -0.118,582 -0.09,583 -0.019,584 0.007,585 -0.064,586 0.023,587 0.198,588 -0.188,589 0.058,590 -0.153,591 0.134,592 -0.096,593 -0.014,594 0.034,595 -0.031,596 -0.03,597 -0.079,598 -0.039,599 -0.163,600 -0.015,601 0.019,602 0.058,603 -0.127,604 0.088,605 0.119,606 -0.038,607 0.058,608 -0.003,609 0.128,610 0.013,611 0.008,612 0.103,613 -0.03,614 0.021,615 -0.019,616 -0.013,617 -0.118,618 -0.008,619 -0.058,620 0.005,621 -0.08,622 -0.006,623 0.081,624 -0.056,625 0.009,626 -0.05,627 0.084,628 -0.04,629 3.475,630 8.517,631 0.102,632 1816.81,633 1.013,634 1.151,635 -17.747,636 314.941,637 0.599,638 5.663,639 5.953,640 6.082,641 6.244,642 6.413,643 6.466,644 6.554,645 6.659,646 6.677,647 6.696,648 43.216,649 0.573,650 4044.36,651 5.663,652 7.203,653 8.001,654 8.854,655 9.681,656 10.537,657 11.378,658 12.236,659 13.084,660 13.944,661 8.3,662 8,667 37,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 590,687 58,688 1,689 287,690 592,691 182,692 9,693 1,694 5,696 3,697 3,699 2,701 29,702 9,705 83,706 56,707 126,708 11,709 47,710 45,711 2,712 47,716 305,717 102,718 66,719 103,721 1,722 49,725 1,726 54,727 1,735 1,736 1,740 3,741 34,743 8,744 8,747 9,749 3,752 24,755 285,756 11,757 9,758 60,759 34,762 40,764 2,768 9.2,769 1,770 8,771 45,774 171.667,775 104.733,776 65.028,777 36.278,778 0.535,779 1.049,780 0.867,781 126.798,782 11.541,783 5.83,784 6.208,785 6.38,786 6.599,787 6.876,788 6.845,789 6.951,790 7.148,791 7.146,792 7.178,793 1,794 429,795 112.121,796 51.699,797 8.304,798 195.346,799 155.624,800 2.804,801 799,804 2813.29,805 614.479,806 1041.38,808 1515.67,811 614.479,812 4328.96,813 1041.38,814 211.805,815 1120.77,816 99.112,817 1691.52,818 56.299,819 15.569,820 2789.75,822 2813.29,823 1655.86,824 1515.67,826 1930.46,827 2355.82,828 42.683,829 1394.31,830 244.763,831 16.786,833 2813.29,834 2557.05,835 614.479,836 2813.29,837 337.627,838 276.852,839 629.151,840 1927.9,841 2813.29,842 2557.05,843 614.479,844 0.573,845 0.307,846 0.154,847 0.091,848 104,849 93,850 0.231,851 137,853 1,854 16.225,855 5168.35,857 29,858 2295.37,860 260.312,861 138.824,862 105.069,864 2540.26,865 10.756,866 4.269,867 2.772,869 0.61,871 1375.17,872 5984.82,873 339.5,874 640.531,875 7.981,876 -56.601,877 597.763,878 678.87,879 0.177,880 0.362,881 0.543,882 0.677,883 0.757,884 0.811,885 7.099,886 2.959,887 8.004,888 9.342,889 6.645,890 6.9,891 5.753,892 8.776,893 6.618,894 8.257,895 2.95,896 9.557,897 9.339,898 6.368,899 6.78,900 5.371,901 9.726,902 6.351,903 9.534,904 2.939,905 11.212,906 9.254,907 8.224,908 8.72,909 6.922,910 12.753,911 8.164,912 10.831,913 2.918,914 12.928,915 9.239,916 8.701,917 9.332,918 7.148,919 14.547,920 8.649,921 12.157,922 2.916,923 14.684,924 9.237,925 10.085,926 10.807,927 8.258,928 17.157,929 9.993,930 13.5,931 2.904,932 16.47,933 9.148,934 10.903,935 11.724,936 8.752,937 19.345,938 10.81,939 14.857,940 2.887,941 18.28,942 9.114,943 12.117,944 13.037,945 9.687,946 21.851,947 11.991,948 3.451,949 2.862,950 20.11,951 9.063,952 13.101,953 14.092,954 10.324,955 24.236,956 12.965,957 3.45,958 13.16,959 21.958,960 8.931,961 14.256,962 15.347,963 11.181,964 26.743,965 14.093,966 3.047,967 13.158,968 23.822,969 3.651,970 15.325,971 16.47,972 11.898,973 29.228,974 15.147,975 3.001,976 9.912,977 25.701,978 3.65,979 16.469,980 17.706,981 12.726,982 31.759,983 16.266,984 2.986,985 9.781,986 27.593,987 3.501,988 17.585,989 18.867,990 13.49,991 34.291,992 17.364,993 2.98,994 9.417,995 29.498,996 3.473,997 18.737,998 20.1,999 14.309,1000 36.843,1001 18.492,1002 2.978,1003 9.358,1004 31.415,1005 3.338,1006 19.883,1007 21.286,1008 15.102,1009 39.398,1010 19.618,1011 5862000,1012 10165300,1013 173.33,1014 353.281,1015 424.07,1016 448.431,1017 442.49,1018 416.941,1019 417.005,1020 474.881,1021 202.576,1022 1151.45,1023 412.09,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 291.777,1034 1.478,1035 1.562,1036 1.542,1037 1.453,1038 1.453,1039 1.655,1040 0.706,1041 4.012,1042 1.436,1043 4.353,1044 4.412,1045 4.234,1046 4.156,1047 7.552,1048 4.165,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.81,1070 3.711,1071 7.472,1072 3.723,1073 3.881,1074 3.93,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.878,1080 3.926,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.867,1086 3.915,1087 3.791,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.351,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.039,1119 1.347,1120 2.032,1121 1.847,1122 1.801,1123 2.037,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.028,1130 2.029,1131 1.34,1132 2.025,1133 1.832,1134 1.782,1135 2.028,1136 2.028,1137 1.34,1138 2.024,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.016,1149 1.334,1150 2.011,1151 1.803,1152 1.754,1153 2.012,1154 2.006,1155 1.33,1156 1.998,1157 6.354,1159 7.655,1160 2.398,1161 9.103,1162 4.443,1163 10.626,1164 6.26,1165 12.195,1166 37.069,1169 63.406,1170 91.478,1171 -22.436,1172 84.064,1175 -61.007,1177 -3.893,1178 338.078,1179 961.331,1180 1966.87,1181 2950.4,1182 3676.52,1183 4110.84,1184 4402.29,1185 11164.1,1186 11.006,1187 1698.86,1188 1698.86,1189 29,1190 14.497,1191 5.883,1192 5.741,1193 2619.57,1194 7505,1195 7683,1196 0.159,1197 2130.89,1198 3974.66,1199 5191.13,1200 2523200,1202 215.63,1203 0.757,1204 0.585,1205 215.63,1206 166.65,1207 133.804,1208 0.466,1209 0.335,1210 94.694,1211 127.182,1212 92.352,1213 77.108,1214 133.804,1215 96.269,1216 122.384,1217 0.319,1218 0.193,1219 122.384,1220 74.212,1221 85.91,1222 0.197,1223 0.106,1224 85.91,1225 46.249,1226 64.518,1227 0.126,1228 0.059,1229 64.518,1230 30.288,1231 51.054,1232 0.084,1233 0.032,1234 51.054,1235 19.26,1236 0.267,1237 853.298,1238 0.076,1239 156.544,1240 0.392,1241 1342,1242 4790.47,1243 1547.86,1244 4470.73,1245 5628.88,1246 4082,1247 1492,1248 3725.7,1249 1675.27,1250 3687.6,1251 5288.12,1252 3453,1253 7} {0 CHEMBL268360,1 1.63,2 77.585,3 -7.138,4 50.947,5 1028.9,6 6.85,7 0.038,8 6.44,9 6.587,10 5.861,11 5.816,12 7.59,13 5.803,14 7.014,15 7.216,16 6.222,17 6.216,18 8.187,19 6.158,20 7.392,21 7.63,22 6.365,23 6.427,24 8.516,25 6.354,26 7.532,27 7.778,28 6.498,29 6.517,30 8.678,31 6.469,32 7.594,33 7.812,34 6.698,35 6.609,36 9.012,37 6.578,38 7.714,39 7.937,40 6.749,41 6.735,42 9.013,43 6.687,44 7.828,45 8.055,46 6.811,47 6.851,48 9.059,49 6.797,50 7.939,51 8.169,52 6.933,53 6.954,54 9.254,55 6.888,56 1.478,57 8.257,58 138.661,59 49.639,60 265.112,61 72.965,62 4.951,63 12.273,64 256.47,65 82.225,66 843.281,67 126.971,68 9.388,69 15.102,70 392.873,71 104.666,72 1433.19,73 165.898,74 10.285,75 16.543,76 457.142,77 108.845,78 1735.02,79 179.529,80 14.976,81 18.13,82 487.264,83 119.191,84 2728.66,85 191.899,86 15.795,87 20.39,88 548.673,89 140.423,90 2578.19,91 219.467,92 15.044,93 22.732,94 611.594,95 157.659,96 2760.71,97 248.559,98 18.646,99 25.153,100 682.832,101 180.258,102 3431.61,103 285.329,104 10801,105 387,106 0.174,107 0.357,108 0.537,109 0.668,110 0.747,111 0.799,112 5.67,113 1.006,114 -13.59,115 -13.06,116 -11.89,117 30.7,118 25,119 52,120 9,122 8,124 31,125 2,127 5,128 1,130 1,134 1,138 46,139 2,140 1,143 12,144 12,145 12,147 8,149 8,150 57,151 8,153 16,154 8,155 51,156 2,157 52,159 4,160 41,161 6,162 7,163 2,165 44,167 33,168 34,169 77,170 2,171 1,172 11,174 7,177 64,178 2,180 5,181 4,182 61,183 8,184 1,185 7,187 10,190 37,191 54,192 8,193 2,194 51,195 12,196 64,197 6,198 3,199 35,200 1,201 5,203 14,204 61,205 6,206 3,207 54,208 47,209 69,210 1,211 7,212 58,213 4,215 2,217 10,218 73,219 2,220 6,221 18,222 12,223 59,224 8,225 9,226 70,227 15,228 3,231 36,232 80,233 7,234 10,235 60,236 16,237 87,238 6,239 7,240 71,241 20,243 8,246 14,247 87,248 6,249 7,250 57,251 46,252 102,253 1,254 7,255 77,256 10,257 1,258 11,261 825119,262 183.607,263 183.607,264 183.607,265 183.607,266 183.607,267 174.444,268 192.732,269 110.406,270 185.053,271 142.3,272 142.3,273 142.3,274 142.3,275 142.3,276 126.662,277 179.986,278 51.97,279 144.251,280 7.596,281 5.887,282 4.204,283 2.983,284 2.244,285 1.752,286 6.335,291 44825,292 19.313,294 1342.8,295 1597.5,298 12.642,299 786.78,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 658,310 22422,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.141,339 3.877,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.139,348 3.872,349 6.337,350 3.97,351 2.986,352 3.338,353 2.341,354 9.417,355 2.929,356 4.138,357 3.866,358 6.247,359 3.964,360 2.98,361 3.311,362 2.341,363 9.362,364 2.922,365 4.131,366 3.862,367 6.242,368 3.961,369 2.978,370 3.308,371 2.341,372 9.342,373 2.919,374 4.114,375 3.854,376 6.239,377 3.944,378 2.96,379 3.297,380 2.341,381 9.339,382 2.905,383 4.106,384 3.846,385 6.218,386 3.936,387 2.951,388 3.283,389 2.013,390 9.257,391 2.897,392 4.091,393 3.832,394 6.213,395 3.924,396 2.939,397 3.282,398 2.012,399 9.249,400 2.886,401 4.082,402 3.82,403 6.212,404 3.903,405 2.918,406 3.274,407 2.011,408 9.238,409 2.868,410 4.072,411 3.815,412 6.178,413 3.901,414 2.915,415 3.254,416 2.009,417 9.148,418 2.867,419 4.052,420 3.804,421 6.177,422 3.89,423 2.901,424 3.237,425 2.007,426 9.113,427 2.862,428 4.026,429 3.787,430 6.15,431 3.872,432 2.885,433 3.217,434 2.005,435 9.028,436 2.839,437 4.006,438 3.768,439 6.124,440 3.848,441 2.861,442 3.195,443 2.002,444 8.932,445 2.815,446 130.333,447 0.451,448 9.05,449 0.031,450 262.75,451 0.909,452 82,453 0.284,454 180.75,455 0.625,456 775.829,457 2.685,458 357.467,459 0.597,460 608.951,461 2.107,462 50.36,463 0.174,464 85.176,465 0.295,466 0.273,467 0.008,468 0.345,471 0.805,472 1.623,473 0.936,474 1.369,475 0.671,476 1.185,477 0.482,478 1.492,479 0.861,480 1.386,481 0.473,482 1.233,483 0.943,484 1.075,485 1.021,486 1.083,487 0.965,488 1.07,489 1.188,490 1.064,491 0.988,492 0.939,493 1.138,494 0.905,495 0.996,496 1.142,497 0.961,498 1.037,499 1.003,500 0.99,501 1.085,502 0.997,503 1.047,504 1.015,505 1.116,506 1.02,507 1.182,508 1.092,509 1.066,510 1.046,511 1.167,512 1.026,513 0.917,514 1.139,515 0.981,516 1.114,517 0.925,518 1.07,519 76.5,520 6.097,521 35.111,522 20.16,523 21.546,524 14.174,525 10.035,526 10.596,527 8.024,528 5.717,529 6026240,530 18250800,531 1.829,532 51.8,533 83,534 52,535 1,536 1,537 68,538 30,539 75,541 2.184,542 1.651,543 6.154,544 50.894,547 976.519,548 1.63,549 3.339,550 5.022,551 6.243,552 6.983,553 7.474,554 5.653,555 7.912,556 8.146,557 6.42,558 267162,559 15.031,560 22888500,563 5526.62,564 1.63,565 8.052,566 0.264,567 0.008,568 0.091,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.527,577 0.17,578 0.38,579 4.177,580 2671.12,581 -0.119,582 -0.089,583 -0.021,584 0.007,585 -0.066,586 0.022,587 0.2,588 -0.189,589 0.061,590 -0.154,591 0.137,592 -0.095,593 -0.021,594 0.036,595 -0.038,596 -0.03,597 -0.084,598 -0.042,599 -0.161,600 -0.016,601 0.02,602 0.058,603 -0.126,604 0.088,605 0.119,606 -0.038,607 0.06,608 -0.002,609 0.127,610 0.015,611 0.007,612 0.104,613 -0.031,614 0.021,615 -0.019,616 -0.013,617 -0.12,618 -0.007,619 -0.059,620 0.006,621 -0.081,622 -0.006,623 0.084,624 -0.059,625 0.012,626 -0.051,627 0.086,628 -0.04,629 3.49,630 8.519,631 0.038,632 1852.91,633 1.013,634 1.151,635 -18.358,636 337.01,637 0.598,638 5.673,639 5.961,640 6.082,641 6.242,642 6.41,643 6.46,644 6.544,645 6.648,646 6.658,647 6.664,648 43.566,649 0.572,650 4103.44,651 5.673,652 7.212,653 8.007,654 8.859,655 9.684,656 10.539,657 11.378,658 12.236,659 13.083,660 13.943,661 8.3,662 8,667 38,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 599,687 59,688 1,689 290,690 600,691 184,692 9,693 1,694 5,696 2,697 2,699 2,701 30,705 83,706 57,707 127,708 11,709 48,710 46,711 2,712 48,716 310,717 104,718 68,719 105,721 1,722 50,725 1,726 55,727 1,735 1,736 1,740 4,741 34,743 8,744 8,747 9,749 2,752 25,755 289,756 12,757 9,758 60,759 34,762 40,764 2,768 9.2,769 1,770 8,771 46,774 175,775 106.483,776 66.028,777 36.653,778 0.554,779 1.052,780 0.866,781 131.166,782 11.258,783 5.842,784 6.218,785 6.38,786 6.597,787 6.873,788 6.841,789 6.944,790 7.14,791 7.133,792 7.156,793 1,794 429,795 113.626,796 52.255,797 8.315,798 197.706,799 156.852,800 2.815,801 813.667,804 2848.61,805 628.009,806 1074.27,808 1540.82,811 628.009,812 4389.42,813 1074.27,814 220.63,815 1153.67,816 99.112,817 1721.36,818 56.299,819 15.569,820 2825.06,822 2848.61,823 1702.28,824 1540.82,826 1965.77,827 2380.97,828 42.683,829 1436.03,830 249.468,831 16.786,833 2848.61,834 2615.09,835 628.009,836 2848.61,837 342.332,838 285.677,839 629.151,840 1985.94,841 2848.61,842 2615.09,843 628.009,844 0.572,845 0.304,846 0.152,847 0.09,848 102,849 94,850 0.252,851 151,853 1,854 16.395,855 5226.52,857 11,858 2330.55,860 265.9,861 142.561,862 109.663,864 2598.3,865 10.749,866 4.269,867 2.771,869 0.608,871 1408.07,872 6091.71,873 343.5,874 651.441,875 7.957,876 -57.987,877 606.959,878 689.408,879 0.177,880 0.362,881 0.544,882 0.677,883 0.757,884 0.81,885 7.109,886 2.96,887 8.01,888 9.342,889 6.653,890 6.91,891 5.771,892 8.78,893 6.627,894 8.268,895 2.951,896 9.562,897 9.339,898 6.378,899 6.793,900 5.389,901 9.728,902 6.362,903 9.544,904 2.939,905 11.216,906 9.257,907 8.229,908 8.728,909 6.938,910 12.753,911 8.17,912 10.841,913 2.918,914 12.93,915 9.249,916 8.706,917 9.341,918 7.162,919 14.547,920 8.655,921 12.165,922 2.915,923 14.685,924 9.238,925 10.088,926 10.813,927 8.271,928 17.157,929 9.997,930 13.507,931 2.901,932 16.47,933 9.148,934 10.905,935 11.73,936 8.764,937 19.344,938 10.813,939 14.863,940 2.885,941 18.28,942 9.113,943 12.118,944 13.041,945 9.697,946 21.85,947 11.992,948 3.451,949 2.861,950 20.11,951 9.028,952 13.101,953 14.096,954 10.333,955 24.236,956 12.966,957 3.45,958 13.16,959 21.958,960 8.932,961 14.256,962 15.349,963 11.19,964 26.743,965 14.094,966 3.047,967 13.158,968 23.822,969 3.651,970 15.325,971 16.472,972 11.905,973 29.227,974 15.147,975 3.001,976 9.912,977 25.7,978 3.65,979 16.469,980 17.707,981 12.732,982 31.759,983 16.266,984 2.986,985 9.781,986 27.593,987 3.501,988 17.585,989 18.868,990 13.495,991 34.291,992 17.364,993 2.98,994 9.417,995 29.497,996 3.473,997 18.737,998 20.1,999 14.314,1000 36.843,1001 18.492,1002 2.978,1003 9.362,1004 31.414,1005 3.338,1006 19.883,1007 21.286,1008 15.105,1009 39.398,1010 19.618,1011 6060530,1012 10549200,1013 174.428,1014 358.264,1015 428.141,1016 452.767,1017 446.801,1018 420.897,1019 420.966,1020 479.977,1021 206.347,1022 1159.33,1023 416.172,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 299.255,1034 1.476,1035 1.561,1036 1.541,1037 1.451,1038 1.452,1039 1.655,1040 0.712,1041 3.998,1042 1.435,1043 4.357,1044 4.417,1045 4.237,1046 4.16,1047 7.554,1048 4.169,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.81,1070 3.709,1071 7.472,1072 3.722,1073 3.88,1074 3.928,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.925,1081 3.801,1082 3.701,1083 7.472,1084 3.714,1085 3.867,1086 3.915,1087 3.791,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.045,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.348,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.347,1120 2.032,1121 1.847,1122 1.801,1123 2.037,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.029,1130 2.029,1131 1.34,1132 2.025,1133 1.828,1134 1.779,1135 2.028,1136 2.025,1137 1.34,1138 2.02,1139 1.822,1140 1.774,1141 2.017,1142 2.024,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.016,1149 1.334,1150 2.011,1151 1.803,1152 1.754,1153 2.009,1154 2.007,1155 1.33,1156 1.999,1157 6.365,1159 7.663,1160 2.398,1161 9.109,1162 4.443,1163 10.629,1164 6.26,1165 12.197,1166 38.16,1169 68.947,1170 91.497,1171 -22.837,1172 83.61,1175 -61.609,1177 -3.907,1178 342.868,1179 976.519,1180 2000.3,1181 3008.2,1182 3739.69,1183 4182.75,1184 4476.96,1185 15152.5,1186 10.703,1187 1741.95,1188 1741.95,1189 11,1190 14.496,1191 5.907,1192 5.768,1193 3556.16,1194 7683,1195 7631,1196 0.211,1197 2165.33,1198 4038.77,1199 5275.17,1200 1642840,1202 219.208,1203 0.759,1204 0.585,1205 219.208,1206 169.136,1207 135.536,1208 0.467,1209 0.335,1210 95.664,1211 128.785,1212 93.241,1213 77.904,1214 135.536,1215 97.262,1216 124.067,1217 0.321,1218 0.193,1219 124.067,1220 74.811,1221 86.079,1222 0.197,1223 0.106,1224 86.079,1225 46.32,1226 64.482,1227 0.126,1228 0.059,1229 64.482,1230 30.248,1231 50.973,1232 0.084,1233 0.032,1234 50.973,1235 19.183,1236 0.354,1237 864.556,1238 0.076,1239 158.014,1240 0.521,1241 1354,1242 4865.51,1243 1563.1,1244 4541.31,1245 5708.34,1246 4144,1247 1501,1248 3770.19,1249 1685.77,1250 3732.51,1251 5343.88,1252 3493,1253 9.292} {0 CHEMBL268806,1 1.628,2 78.714,3 -8.574,4 73.517,5 1007.38,6 6.81,7 0.057,8 6.414,9 6.566,10 5.834,11 5.791,12 7.548,13 5.776,14 6.987,15 7.193,16 6.187,17 6.193,18 8.123,19 6.132,20 7.362,21 7.606,22 6.331,23 6.396,24 8.475,25 6.32,26 7.493,27 7.741,28 6.453,29 6.481,30 8.627,31 6.431,32 7.557,33 7.78,34 6.654,35 6.573,36 8.946,37 6.54,38 7.673,39 7.897,40 6.712,41 6.701,42 8.953,43 6.652,44 7.799,45 8.031,46 6.772,47 6.82,48 9.01,49 6.762,50 7.904,51 8.14,52 6.896,53 6.924,54 9.198,55 6.854,56 1.292,57 8.165,58 135.768,59 47.017,60 233.248,61 70.825,62 4.385,63 12.052,64 250.021,65 79.427,66 713.241,67 123.756,68 8.678,69 14.629,70 381.196,71 100.768,72 1294.74,73 161.447,74 9.259,75 15.939,76 439.354,77 103.637,78 1548.39,79 172.553,80 13.637,81 17.517,82 469.624,83 113.891,84 2480.14,85 185.214,86 14.346,87 19.745,88 526.067,89 134.131,90 2279.96,91 211.124,92 13.837,93 22.075,94 594.074,95 151.143,96 2478,97 241.431,98 17.066,99 24.49,100 658.981,101 172.848,102 3117.96,103 276.587,104 8440,105 375,106 0.175,107 0.357,108 0.531,109 0.656,110 0.736,111 0.789,112 5.638,113 1.006,114 -13.99,115 -13.44,116 -12.24,117 30.6,118 21,119 51,120 8,122 8,124 33,127 5,128 1,130 2,134 2,138 42,139 3,140 2,143 16,144 16,145 16,147 3,149 3,150 55,151 3,153 14,154 12,155 50,156 3,157 45,159 6,160 36,161 3,162 9,163 3,165 43,166 1,167 33,168 34,169 75,171 2,172 9,174 9,177 61,180 4,181 2,182 59,183 3,184 1,185 2,187 13,190 35,191 49,192 3,193 2,194 48,195 11,196 61,197 3,198 5,199 32,201 10,203 14,204 54,205 3,206 6,207 54,208 47,209 66,211 9,212 57,215 2,217 11,218 64,220 8,221 18,222 12,223 48,224 3,225 10,226 65,227 6,228 3,231 34,232 73,233 3,234 11,235 60,236 18,237 74,238 3,239 13,240 71,241 8,243 11,246 14,247 78,248 3,249 12,250 60,251 46,252 92,254 9,255 68,256 5,258 15,261 772176,262 179.428,263 179.428,264 179.428,265 179.428,266 179.428,267 170.108,268 189.929,269 108.154,270 181.069,271 138.929,272 138.929,273 138.929,274 138.929,275 138.929,276 123.147,277 176.542,278 51.028,279 141.159,280 7.557,281 5.857,282 4.242,283 3.069,284 2.324,285 1.829,286 6.308,291 44381,292 18.014,294 2554.85,295 1538.94,298 12.835,299 720.031,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 634,310 22040,311 4.17,312 3.88,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.88,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.146,330 3.875,331 6.293,332 3.972,333 2.989,334 3.466,335 2.341,336 9.365,337 2.929,338 4.139,339 3.87,340 6.247,341 3.968,342 2.985,343 3.326,344 2.013,345 9.357,346 2.926,347 4.138,348 3.865,349 6.245,350 3.966,351 2.982,352 3.325,353 2.012,354 9.355,355 2.926,356 4.125,357 3.86,358 6.243,359 3.954,360 2.97,361 3.31,362 2.011,363 9.305,364 2.913,365 4.116,366 3.852,367 6.226,368 3.943,369 2.959,370 3.304,371 2.009,372 9.279,373 2.902,374 4.107,375 3.844,376 6.216,377 3.935,378 2.95,379 3.295,380 2.007,381 9.233,382 2.894,383 4.092,384 3.834,385 6.207,386 3.918,387 2.933,388 3.287,389 2.005,390 9.212,391 2.88,392 4.081,393 3.823,394 6.189,395 3.904,396 2.919,397 3.274,398 2.002,399 9.152,400 2.867,401 4.072,402 3.812,403 6.173,404 3.895,405 2.91,406 3.265,407 1.999,408 9.108,409 2.859,410 4.054,411 3.8,412 6.167,413 3.88,414 2.894,415 3.255,416 1.995,417 9.083,418 2.845,419 4.03,420 3.786,421 6.151,422 3.862,423 2.874,424 3.234,425 1.991,426 9.017,427 2.832,428 4.019,429 3.772,430 6.124,431 3.846,432 2.858,433 3.214,434 1.986,435 8.929,436 2.814,437 4,438 3.758,439 6.102,440 3.819,441 2.831,442 3.2,443 1.982,444 8.861,445 2.79,446 126.733,447 0.453,448 8.31,449 0.03,450 258.5,451 0.923,452 81.5,453 0.291,454 177,455 0.632,456 726.219,457 2.594,458 344.267,459 0.592,460 573.126,461 2.047,462 49.425,463 0.177,464 82.523,465 0.295,466 0.254,468 0.351,471 0.812,472 1.626,473 0.942,474 1.352,475 0.666,476 1.174,477 0.507,478 1.476,479 0.885,480 1.389,481 0.493,482 1.24,483 0.952,484 1.059,485 1.012,486 1.077,487 0.979,488 1.059,489 1.265,490 1.063,491 1.012,492 0.947,493 1.208,494 0.914,495 1.046,496 1.121,497 0.959,498 1.023,499 1.055,500 0.974,501 1.146,502 1.009,503 1.069,504 1.036,505 1.191,506 1.038,507 1.229,508 1.079,509 1.07,510 1.036,511 1.209,512 1.018,513 0.931,514 1.127,515 0.98,516 1.108,517 0.94,518 1.064,519 69.5,520 5.688,521 33.111,522 18.257,523 19.981,524 13.229,525 9.376,526 10.177,527 7.413,528 5.419,529 5767720,530 16813900,531 1.853,532 51.9,533 79,534 54,535 2,536 2,537 71,538 22,539 72,541 2.179,542 1.68,543 6.158,544 53.98,547 947.623,548 1.628,549 3.328,550 4.943,551 6.116,552 6.861,553 7.356,554 5.658,555 7.879,556 8.099,557 6.432,558 251215,559 14.934,560 21409000,563 5345.6,564 1.576,565 8.015,566 0.246,567 0.008,568 0.088,569 0.044,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.5,577 0.17,578 0.38,579 2.317,580 2579.67,581 -0.123,582 -0.091,583 -0.017,584 0.01,585 -0.067,586 0.027,587 0.187,588 -0.175,589 0.046,590 -0.16,591 0.117,592 -0.104,593 -0.002,594 0.038,595 -0.023,596 -0.027,597 -0.073,598 -0.033,599 -0.182,600 -0.023,601 0.004,602 0.051,603 -0.138,604 0.076,605 0.117,606 -0.031,607 0.069,608 0.009,609 0.128,610 0.028,611 0.002,612 0.093,613 -0.044,614 0.005,615 -0.033,616 -0.03,617 -0.122,618 -0.006,619 -0.056,620 0.01,621 -0.08,622 -0.003,623 0.096,624 -0.052,625 0.018,626 -0.048,627 0.099,628 -0.035,629 3.491,630 8.283,631 0.121,632 1833.41,633 1.011,634 1.152,635 -18.763,636 352.032,637 0.599,638 5.649,639 5.93,640 6.061,641 6.213,642 6.38,643 6.435,644 6.521,645 6.627,646 6.628,647 6.652,648 43.82,649 0.572,650 3963.36,651 5.649,652 7.183,653 7.98,654 8.826,655 9.65,656 10.497,657 11.334,658 12.183,659 13.026,660 13.878,661 9.6,662 10,667 39,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 582,687 61,688 1,689 283,690 585,691 178,692 12,693 1,694 5,696 4,697 4,699 3,701 25,702 9,705 84,706 57,707 121,708 8,709 45,710 42,711 3,712 45,716 302,717 100,718 71,719 102,721 2,722 56,725 1,726 46,727 1,735 2,736 1,740 6,741 33,743 3,744 10,747 4,749 4,752 21,755 280,756 16,757 4,758 59,759 33,762 41,768 7.9,769 1,770 3,771 42,774 166.667,775 102.05,776 64,777 35.676,778 0.637,779 1.057,780 0.883,781 124.789,782 11.769,783 5.82,784 6.198,785 6.388,786 6.608,787 6.86,788 6.841,789 6.96,790 7.152,791 7.115,792 7.125,793 1,794 415,795 109.489,796 49.839,797 8.242,798 192.604,799 153.278,800 2.742,801 767.667,804 2719.12,805 612.651,806 1238.21,808 1226.82,811 612.651,812 3945.95,813 1238.21,814 185.329,815 1264.71,816 108.159,817 1444.7,818 92.627,819 29.239,820 2672.04,822 2719.12,823 1850.86,824 1226.82,826 1871.6,827 2031.66,828 42.683,829 1556.72,830 260.57,831 33.571,833 2719.12,834 2465.03,835 612.651,836 2719.12,837 344.608,838 268.043,839 627.926,840 1837.1,841 2719.12,842 2465.03,843 612.651,844 0.571,845 0.308,846 0.152,847 0.089,848 101,849 89,850 0.229,851 134,853 1,854 16.375,855 4985.36,857 34,858 2242.2,860 253.449,861 137.862,862 103.667,864 2431.46,865 14.126,866 8.336,867 5.451,869 1.109,871 1325.01,872 5796.8,873 336,874 601.372,875 11.869,876 -48.312,877 588.439,878 670.607,879 0.177,880 0.362,881 0.538,882 0.666,883 0.747,884 0.801,885 7.081,886 2.95,887 7.969,888 9.279,889 6.621,890 6.891,891 5.656,892 8.719,893 6.592,894 8.231,895 2.933,896 9.507,897 9.233,898 6.282,899 6.718,900 5.202,901 9.539,902 6.267,903 9.499,904 2.919,905 11.142,906 9.212,907 8.169,908 8.708,909 6.764,910 12.567,911 8.107,912 10.786,913 2.91,914 12.831,915 9.152,916 8.581,917 9.274,918 6.917,919 14.156,920 8.533,921 12.101,922 2.894,923 14.554,924 9.108,925 9.974,926 10.781,927 8.026,928 16.71,929 9.881,930 13.431,931 2.874,932 16.3,933 9.083,934 10.721,935 11.657,936 8.449,937 18.626,938 10.634,939 14.773,940 2.858,941 18.063,942 9.017,943 11.919,944 12.986,945 9.369,946 20.993,947 11.797,948 3.045,949 2.831,950 19.838,951 8.929,952 12.828,953 14.004,954 9.94,955 23.062,956 12.703,957 3.023,958 9.946,959 21.622,960 8.861,961 13.946,962 15.261,963 10.772,964 25.347,965 13.791,966 2.989,967 9.719,968 23.413,969 3.508,970 14.934,971 16.349,972 11.428,973 27.492,974 14.769,975 2.985,976 9.365,977 25.209,978 3.507,979 16.019,980 17.578,981 12.223,982 29.742,983 15.83,984 2.982,985 9.357,986 27.01,987 3.466,988 17.047,989 18.705,990 12.933,991 31.926,992 16.843,993 2.97,994 9.355,995 28.814,996 3.326,997 18.12,998 19.922,999 13.717,1000 34.163,1001 17.895,1002 2.959,1003 9.305,1004 30.621,1005 3.325,1006 19.17,1007 21.073,1008 14.463,1009 36.369,1010 18.927,1011 5752820,1012 9824020,1013 172.636,1014 348.878,1015 417.459,1016 439.952,1017 432.544,1018 410.162,1019 410.38,1020 469.818,1021 189.106,1022 1120.11,1023 404.942,1024 5.17,1025 5.88,1026 6.378,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 279.162,1034 1.475,1035 1.555,1036 1.528,1037 1.449,1038 1.45,1039 1.66,1040 0.668,1041 3.958,1042 1.431,1043 4.346,1044 4.408,1045 4.227,1046 4.148,1047 7.536,1048 4.157,1049 3.931,1050 3.988,1051 3.867,1052 3.845,1053 7.472,1054 3.839,1055 3.919,1056 3.978,1057 3.854,1058 3.738,1059 7.472,1060 3.76,1061 3.906,1062 3.945,1063 3.834,1064 3.732,1065 7.466,1066 3.753,1067 3.886,1068 3.934,1069 3.811,1070 3.712,1071 7.435,1072 3.724,1073 3.885,1074 3.933,1075 3.81,1076 3.707,1077 7.435,1078 3.721,1079 3.873,1080 3.921,1081 3.798,1082 3.699,1083 7.435,1084 3.709,1085 3.869,1086 3.918,1087 3.793,1088 3.692,1089 7.435,1090 3.706,1091 0.015,1092 0.014,1093 0.023,1094 0.014,1095 0.011,1096 4.17,1097 0.012,1098 3.88,1099 0.008,1100 6.469,1101 0.035,1102 4.031,1103 0.011,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.036,1113 1.349,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.034,1119 1.345,1120 2.027,1121 1.832,1122 1.783,1123 2.028,1124 2.033,1125 1.344,1126 2.026,1127 1.831,1128 1.782,1129 2.025,1130 2.027,1131 1.337,1132 2.023,1133 1.823,1134 1.774,1135 2.025,1136 2.023,1137 1.331,1138 2.015,1139 1.823,1140 1.773,1141 2.022,1142 2.019,1143 1.327,1144 2.015,1145 1.816,1146 1.767,1147 2.013,1148 2.016,1149 1.327,1150 2.013,1151 1.799,1152 1.749,1153 2.006,1154 2.005,1155 1.323,1156 1.997,1157 6.34,1159 7.634,1160 3.045,1161 9.073,1162 5.13,1163 10.584,1164 6.952,1165 12.139,1166 33.365,1169 92.014,1170 40.993,1171 -16.02,1172 83.184,1175 -59.82,1178 332.876,1179 947.623,1180 1936.95,1181 2877.03,1182 3559.26,1183 3992.85,1184 4281.15,1185 8348.32,1186 11.132,1187 1705.61,1188 1705.61,1189 34,1190 14.437,1191 5.954,1192 5.755,1193 2044.74,1194 7482,1195 7628,1196 0.124,1197 2100.72,1198 3888.88,1199 5117.51,1200 2972410,1202 210.752,1203 0.753,1204 0.584,1205 210.752,1206 163.496,1207 131.948,1208 0.466,1209 0.335,1210 93.401,1211 125.573,1212 91.233,1213 76.18,1214 131.948,1215 94.942,1216 119.361,1217 0.318,1218 0.192,1219 119.361,1220 72.17,1221 85.071,1222 0.199,1223 0.106,1224 85.071,1225 45.195,1226 62.967,1227 0.126,1228 0.058,1229 62.967,1230 29.117,1231 49.908,1232 0.085,1233 0.032,1234 49.908,1235 19,1236 0.21,1237 839.978,1238 0.076,1239 155.107,1240 0.306,1241 1316,1242 4562.36,1243 1511.95,1244 4280.84,1245 5421.72,1246 3916,1247 1461,1248 3617.81,1249 1638.66,1250 3587.54,1251 5141.37,1252 3363,1253 8.208} {0 CHEMBL270948,1 1.284,2 9.292,3 6.589,4 43.408,5 103.62,6 6.047,7 0.48,8 4.02,9 4.161,10 3.397,11 3.546,12 4.982,13 3.475,14 4.573,15 4.799,16 3.744,17 3.901,18 5.43,19 3.808,20 4.774,21 4.989,22 3.875,23 4.049,24 5.685,25 3.956,26 4.96,27 5.208,28 3.818,29 4.116,30 5.801,31 3.991,32 4.935,33 5.175,34 3.764,35 4.169,36 5.743,37 4.011,38 5.043,39 5.329,40 3.769,41 4.184,42 5.782,43 4.015,44 4.976,45 5.235,46 3.636,47 4.131,48 5.774,49 3.941,50 4.995,51 5.317,52 3.216,53 3.958,54 5.662,55 3.709,56 0.066,57 0.73,58 13.14,59 5.398,60 10.565,61 7.734,62 0.189,63 1.14,64 22.449,65 8.526,66 19.909,67 12.526,68 0.216,69 1.387,70 27.921,71 9.676,72 29.783,73 14.488,74 0.451,75 1.527,76 33.516,77 11.232,78 40.035,79 16.532,80 0.233,81 1.556,82 31.826,83 12.276,84 31.971,85 17.901,86 0.279,87 1.647,88 34.866,89 12.918,90 33.127,91 19.215,92 0.235,93 1.574,94 32.835,95 12.434,96 36.286,97 18.363,98 0.328,99 1.454,100 32.831,101 11.289,102 39.029,103 17.243,104 56,105 35,106 0.216,107 0.485,108 0.649,109 0.71,110 0.767,111 0.767,112 3.229,113 1.063,114 -5.8,115 -5.66,116 -5.28,117 38.9,118 7,119 2,124 1,127 3,128 4,129 2,130 1,131 1,150 10,152 1,153 6,157 4,160 11,165 6,169 3,172 11,177 5,180 2,182 1,185 13,191 5,199 13,204 5,209 2,212 13,218 5,223 4,226 12,237 1,240 7,252 1,255 14,261 818,262 15.618,263 15.618,264 15.618,265 15.618,266 15.618,267 13.908,268 21.796,269 8.972,270 15.841,271 12.161,272 12.161,273 12.161,274 12.161,275 12.161,276 9.647,277 33.831,278 4.091,279 12.575,280 4.471,281 2.876,282 1.905,283 1.542,284 1.209,285 1.209,286 3.883,290 1,291 449,292 3.317,295 166.495,298 1.399,299 13.404,301 0.75,302 0.83,303 1,304 1,305 1,306 1,307 1,308 0.94,309 50,310 223,311 4.457,312 3.395,313 6.517,314 4.062,315 3.106,316 4.142,317 0.86,318 10.174,319 2.974,320 4.321,321 3.131,322 6.349,323 3.922,324 2.942,325 4.009,326 0.4,327 9.552,328 2.877,329 3.559,330 2.645,331 5.427,332 3.398,333 2.44,334 2.835,336 7.066,337 2.337,338 3.484,339 2.425,340 5.064,341 3.128,342 2.156,343 2.775,345 6.051,346 2.094,347 3.387,348 2.314,349 4.971,350 3.043,351 2.066,352 2.61,354 5.744,355 2.015,356 3.232,357 2.147,358 4.943,359 2.879,360 1.879,361 2.481,363 5.511,364 1.879,365 3.132,366 2.071,367 4.879,368 2.799,369 1.852,370 2.234,372 5.225,373 1.741,374 1.922,375 1.322,376 3.612,377 1.726,378 0.798,379 0.865,381 2.059,382 0.733,383 1.618,384 0.848,385 3.159,386 1.618,387 0.618,388 0.618,390 1,391 0.618,392 1.592,393 0.618,394 2.782,395 1.358,396 0.417,397 0.468,399 0.791,400 0.39,401 1.227,402 0.29,403 2.653,404 1.041,405 0.071,406 0.078,408 0.126,409 0.069,410 1,411 -0.11,412 2.618,413 0.653,414 -0.347,415 -0.445,417 -0.898,418 -0.347,419 0.885,420 -0.111,421 2.47,422 0.547,423 -0.395,424 -0.484,426 -0.97,427 -0.368,428 0.556,429 -0.204,430 2.313,431 0.37,432 -0.607,433 -0.676,435 -1.384,436 -0.59,437 0.397,438 -0.354,439 1.573,440 0.279,441 -0.702,442 -0.764,444 -1.569,445 -0.691,446 11.633,447 0.485,448 0.736,449 0.031,450 27,451 1.125,452 13,453 0.542,454 14,455 0.583,456 26.133,457 1.089,458 27.367,459 0.507,460 17.678,461 0.737,462 4.901,463 0.204,464 6.449,465 0.269,466 0.301,468 0.387,471 0.938,472 1.366,473 1.035,474 1.246,475 1.165,476 1.162,477 0.806,478 1.101,479 0.775,480 0.959,481 0.59,482 0.878,483 1.48,484 1.276,485 1.062,486 1.151,487 1.165,488 1.076,489 2.209,490 0.867,491 1.181,492 0.878,493 1.577,494 0.944,495 1.222,496 1.212,497 1.177,498 1.192,499 1.215,500 1.187,501 1.096,502 0.893,503 0.941,504 0.877,505 1.107,506 0.892,507 1.095,508 1.297,509 1.21,510 1.27,511 1.101,512 1.255,513 1.407,514 0.814,515 1.147,516 0.879,517 1.495,518 0.969,519 6.5,520 0.074,521 2.889,522 2.375,523 1.729,524 0.91,525 0.753,526 0.375,527 0.288,528 0.151,529 5293,530 9631,531 1.902,532 55.6,533 18,534 4,537 1,538 3,539 4,541 1.674,542 1.714,543 3.171,544 -0.424,547 69.319,548 1.284,549 2.878,550 3.85,551 4.213,552 4.546,553 4.546,554 2.69,555 3.657,556 4.557,557 3.332,558 919.511,559 7.889,560 10705.4,563 310.764,564 1.577,565 4.468,566 0.26,567 0.007,568 0.083,569 0.063,570 0.049,571 0.028,572 0.022,573 0.014,574 0.018,575 0.009,576 0.552,577 0.5,578 0.88,579 1.39,580 113.003,581 0.031,582 -0.105,583 0.041,584 -0.051,585 -0.144,586 -0.01,587 0.268,588 -0.001,589 0.259,590 0.102,591 0.376,592 0.168,593 0.019,594 -0.14,595 0.016,596 -0.122,597 0.099,598 -0.058,599 -0.135,600 0.173,601 -0.091,602 0.082,603 -0.106,604 0.009,605 -0.11,606 -0.16,607 -0.162,608 -0.15,609 -0.151,610 -0.161,611 -0.061,612 0.094,613 0.047,614 0.096,615 -0.046,616 0.083,617 -0.083,618 -0.278,619 -0.216,620 -0.258,621 -0.058,622 -0.252,623 -0.229,624 0.12,625 -0.17,626 0.014,627 -0.348,628 -0.058,629 0.974,630 2.745,631 0.5,632 19.09,633 0.98,634 1.13,635 4.571,636 20.894,637 0.632,638 3.258,639 3.584,640 3.807,641 4.025,642 4.205,643 4.248,644 4.174,645 4.22,646 4.344,647 4.143,648 5.592,649 0.577,650 326.53,651 3.258,652 4.796,653 5.631,654 6.509,655 7.365,656 8.247,657 9.11,658 9.994,659 10.862,660 11.747,661 3.7,665 1,670 1,673 3,674 1,677 8,679 12,681 1,684 1,686 54,687 12,688 1,689 25,690 55,691 21,692 11,693 4,694 2,696 2,697 2,701 7,705 3,706 11,707 10,716 30,717 3,718 1,719 3,722 2,725 1,726 1,730 1,736 2,749 2,752 7,755 24,758 2,759 1,760 1,762 1,768 1.9,773 1,774 14,775 11.95,776 5.444,777 3.663,778 2.311,779 1.349,780 0.927,781 6.145,782 8.939,783 3.466,784 4.078,785 4.59,786 5.116,787 5.614,788 5.786,789 5.878,790 6.248,791 6.636,792 6.754,793 1,794 38,795 8.877,796 3.509,797 7.444,798 17.511,799 13.754,800 1.944,801 46.667,804 341.362,805 123.588,806 34.796,808 11,811 123.588,812 352.362,813 34.796,814 61.776,815 5.069,816 28.429,817 34.796,818 34.499,819 4.815,820 341.362,822 341.362,823 158.384,824 11,826 294.278,827 58.084,829 69.602,830 53.986,831 34.796,833 341.362,834 45.796,835 123.588,836 341.362,837 33.383,838 90.205,839 18.011,840 27.785,841 341.362,842 45.796,843 123.588,844 0.582,845 0.345,846 0.18,847 0.095,848 15,849 9,850 0.109,851 6,853 1,854 3.385,855 187.733,857 12,858 100.039,860 18.635,861 7.915,862 4.444,864 45.796,865 6.406,866 4.63,869 8.289,871 18.011,872 510.746,873 31,877 52.901,878 61.019,879 0.223,880 0.5,881 0.669,882 0.732,883 0.79,884 0.79,885 4.71,886 0.798,887 5.645,888 5.225,889 4.263,890 4.762,891 1.029,892 6.46,893 4.195,894 5.936,895 0.618,896 7.22,897 2.059,898 4.007,899 4.745,901 7.365,902 3.918,903 7.259,904 0.417,905 8.888,906 1,907 5.872,908 6.969,909 0.763,910 10.436,911 5.735,912 8.613,913 0.071,914 10.607,915 0.791,916 6.347,917 7.675,919 12.089,920 6.183,921 9.992,922 -0.347,923 12.356,924 0.126,925 7.745,926 9.458,927 0.597,928 14.713,929 7.537,930 11.39,931 -0.395,932 14.128,933 -0.898,934 8.558,935 10.507,937 16.71,938 8.319,939 12.803,940 -0.607,941 15.917,942 -0.97,943 9.778,944 12.104,945 0.47,946 19.155,947 9.499,948 3.106,949 -0.702,950 17.719,951 -1.384,952 10.753,953 13.328,955 21.315,956 10.439,957 2.942,958 10.174,959 19.532,960 -1.569,961 11.905,962 14.836,963 0.367,964 23.682,965 11.553,966 2.44,967 9.552,968 21.354,969 4.142,970 12.955,971 16.149,973 25.917,974 12.566,975 2.156,976 7.066,977 23.184,978 4.009,979 14.082,980 17.611,981 0.283,982 28.249,983 13.654,984 2.066,985 6.051,986 25.021,987 2.835,988 15.167,989 18.97,991 30.519,992 14.701,993 1.879,994 5.744,995 26.862,996 2.775,997 16.285,998 20.407,999 0.217,1000 32.836,1001 15.781,1002 1.852,1003 5.511,1004 28.708,1005 2.61,1006 17.387,1007 21.79,1009 35.124,1010 16.844,1011 5515,1012 7596,1013 15.433,1014 34.126,1015 36.607,1016 37.202,1017 39.442,1018 36.653,1019 36.692,1020 46.229,1021 2.52,1022 106.594,1023 35.455,1024 5.288,1025 5.395,1026 6.135,1027 5.143,1028 5.106,1029 7.142,1030 1.72,1031 17.201,1032 4.974,1033 16.161,1034 1.464,1035 1.488,1036 1.578,1037 1.466,1038 1.468,1039 1.849,1040 0.101,1041 4.264,1042 1.418,1043 4.011,1044 4.038,1045 3.963,1046 3.925,1047 4.985,1048 3.928,1049 3.894,1050 3.931,1051 3.834,1052 3.806,1053 4.708,1054 3.81,1055 3.696,1056 3.761,1057 3.548,1058 3.562,1059 4.345,1060 3.548,1061 3.308,1062 3.407,1063 3.146,1064 3.161,1065 4.203,1066 3.146,1067 3.306,1068 3.383,1069 3.081,1070 3.125,1071 4.003,1072 3.101,1073 3.266,1074 3.35,1075 3.067,1076 3.123,1077 3.966,1078 3.096,1079 3.265,1080 3.346,1081 3.04,1082 3.116,1083 3.892,1084 3.089,1085 3.004,1086 3.111,1087 2.839,1088 2.751,1089 3.866,1090 2.754,1091 0.178,1092 0.136,1093 0.261,1094 0.162,1095 0.124,1096 4.457,1097 0.166,1098 3.395,1099 0.034,1100 6.517,1101 0.407,1102 4.062,1103 0.119,1104 3.106,1105 4.142,1106 0.86,1107 10.174,1108 2.974,1109 1.957,1110 1.937,1111 2.068,1112 2.066,1113 1.301,1114 2.063,1115 1.877,1116 1.84,1117 2.024,1118 1.996,1119 1.218,1120 2.009,1121 1.702,1122 1.64,1123 1.925,1124 1.869,1125 1.07,1126 1.894,1127 1.351,1128 1.257,1129 1.725,1130 1.584,1131 0.869,1132 1.638,1133 1.328,1134 1.256,1135 1.65,1136 1.532,1137 0.733,1138 1.576,1139 1.303,1140 1.226,1141 1.639,1142 1.507,1143 0.719,1144 1.557,1145 1.293,1146 1.217,1147 1.63,1148 1.503,1149 0.714,1150 1.55,1151 0.985,1152 0.879,1153 1.366,1154 1.287,1155 0.449,1156 1.32,1157 3.932,1159 5.252,1161 6.765,1163 8.373,1165 10.03,1166 14.789,1171 2.202,1172 3.632,1173 6.245,1175 0.473,1178 31.133,1179 69.319,1180 155.433,1181 207.896,1182 227.48,1183 245.48,1184 245.48,1185 42.757,1186 6.628,1187 34.15,1188 34.15,1189 12,1190 12.283,1191 3.7,1192 2.807,1193 48.182,1194 79,1195 76,1196 0.302,1197 197.443,1198 340.29,1199 473.522,1200 5549,1202 17.853,1203 0.744,1204 0.67,1205 17.853,1206 16.079,1207 11.35,1208 0.454,1209 0.354,1210 8.796,1211 11.109,1212 8.233,1213 7.086,1214 11.35,1215 8.857,1216 10.305,1217 0.294,1218 0.192,1219 10.305,1220 6.729,1221 8.273,1222 0.188,1223 0.102,1224 8.273,1225 4.505,1226 6.706,1227 0.122,1228 0.056,1229 6.706,1230 3.095,1231 4.856,1232 0.074,1233 0.026,1234 4.856,1235 1.725,1236 0.463,1237 69.732,1238 0.255,1239 23.093,1240 0.861,1241 120,1242 273.714,1243 128.426,1244 272.171,1245 385.54,1246 256,1247 139,1248 300.061,1249 148.147,1250 308.738,1251 447.99,1252 288,1253 5} {0 CHEMBL295563,1 1.456,2 9.857,3 4.565,4 20.841,5 112.926,6 6.596,7 0.533,8 4.13,9 4.263,10 3.599,11 3.601,12 5.147,13 3.567,14 4.688,15 4.903,16 3.934,17 3.953,18 5.601,19 3.907,20 4.836,21 5.054,22 4.072,23 4.11,24 5.766,25 4.06,26 4.966,27 5.179,28 4.164,29 4.251,30 5.876,31 4.183,32 5.123,33 5.348,34 4.214,35 4.367,36 6.041,37 4.277,38 5.246,39 5.493,40 4.076,41 4.396,42 6.096,43 4.265,44 5.203,45 5.475,46 3.903,47 4.309,48 6.018,49 4.134,50 5.143,51 5.448,52 3.617,53 4.139,54 5.837,55 3.931,56 0.062,57 0.836,58 13.764,59 5.342,60 11.313,61 7.613,62 0.289,63 1.289,64 25.268,65 8.054,66 24.884,67 12.084,68 0.318,69 1.532,70 29.245,71 9.034,72 30.207,73 13.931,74 0.397,75 1.748,76 33.142,77 10.692,78 30.83,79 16.42,80 0.47,81 1.99,82 38.878,83 12.471,84 42.445,85 19.32,86 0.505,87 2.095,88 44.44,89 13.911,90 49.377,91 21.441,92 0.55,93 1.912,94 42.261,95 14.352,96 51.395,97 21.925,98 0.395,99 1.631,100 40.044,101 13.71,102 42.543,103 20.664,104 58,105 42,106 0.239,107 0.52,108 0.729,109 0.763,110 0.785,111 0.802,112 3.376,113 0.988,114 -4.79,115 -4.7,116 -4.42,117 37.9,118 4,119 2,121 2,122 2,127 4,128 2,129 2,130 2,136 1,141 1,146 1,150 5,152 2,153 14,160 6,164 2,165 10,172 4,176 2,177 11,185 6,190 3,191 15,199 9,204 5,212 8,217 4,218 7,226 12,240 6,246 1,247 4,255 6,261 1174,262 19.118,263 19.118,264 19.118,265 19.118,266 19.118,267 17.255,268 23.156,269 11.309,270 19.74,271 14.616,272 14.616,273 14.616,274 14.616,275 14.616,276 11.594,277 28.645,278 5.013,279 15.45,280 4.402,281 2.693,282 1.423,283 1.216,284 1.078,285 0.975,286 4.054,289 1,290 1,291 569,292 3.674,294 57.813,295 156.793,297 111.237,298 1.52,299 17.394,301 1,302 1,303 1,304 1,305 1,306 1,307 1,308 1,309 60,310 276,311 4.771,312 3.437,313 7.061,314 4.32,315 3.36,316 4.731,317 0.86,318 12.187,319 3.231,320 4.3,321 3.159,322 6.527,323 3.909,324 2.957,325 3.955,326 0.86,327 10.252,328 2.805,329 3.928,330 2.887,331 5.956,332 3.566,333 2.622,334 3.391,335 0.8,336 8.374,337 2.472,338 3.589,339 2.606,340 5.411,341 3.23,342 2.285,343 2.955,345 6.771,346 2.156,347 3.496,348 2.476,349 5.163,350 3.108,351 2.171,352 2.779,354 6.208,355 2.027,356 3.18,357 2.068,358 5.026,359 2.808,360 1.866,361 2.397,363 5.66,364 1.752,365 3.013,366 1.889,367 4.77,368 2.618,369 1.668,370 2.149,372 4.875,373 1.579,374 2.817,375 1.609,376 4.406,377 2.421,378 1.464,379 1.918,381 3.968,382 1.395,383 2.294,384 1.298,385 3.899,386 2.237,387 1.247,388 1.247,390 2.495,391 1.233,392 2.247,393 1.155,394 3.247,395 1.946,396 0.969,397 1.232,399 2.117,400 0.944,401 1.771,402 0.944,403 3.122,404 1.574,405 0.629,406 0.695,408 1.086,409 0.59,410 1.632,411 0.918,412 2.886,413 1.36,414 0.464,415 0.513,417 0.768,418 0.399,419 1.592,420 0.606,421 2.776,422 1.32,423 0.433,424 0.509,426 0.673,427 0.393,428 1.188,429 0.249,430 2.601,431 0.88,432 -0.065,433 -0.078,435 -0.137,436 -0.062,437 0.82,438 -0.241,439 2.512,440 0.521,441 -0.445,442 -0.445,444 -0.632,445 -0.428,446 13.267,447 0.474,448 0.64,449 0.023,450 33.5,451 1.196,452 15.5,453 0.554,454 18,455 0.643,456 28.664,457 1.024,458 31.733,459 0.547,460 25.311,461 0.904,462 6.453,463 0.23,464 7.079,465 0.253,466 0.226,468 0.362,471 0.842,472 1.527,473 0.895,474 1.33,475 0.896,476 1.152,477 1.265,478 1.08,479 0.817,480 0.848,481 0.923,482 0.788,483 1.166,484 1.087,485 0.891,486 0.883,487 0.995,488 0.844,489 0.966,490 1.184,491 0.956,492 1.008,493 0.79,494 0.972,495 0.925,496 1.188,497 1.06,498 1.093,499 0.905,500 1.08,501 1.304,502 1.099,503 1.245,504 1.086,505 1.344,506 1.139,507 0.663,508 1.022,509 1.099,510 1.14,511 0.94,512 1.162,513 0.862,514 0.907,515 0.954,516 0.979,517 0.949,518 0.985,519 5.5,520 0.12,521 3.111,522 2.604,523 2.223,524 1.664,525 1.025,526 0.614,527 0.253,528 0.177,529 7845,530 17252,531 1.993,532 51.7,533 6,534 14,538 6,539 4,541 1.719,542 1.826,543 3.251,544 -0.778,547 84.449,548 1.456,549 3.165,550 4.435,551 4.642,552 4.78,553 4.883,554 2.758,555 4.593,556 4.774,557 3.385,558 1279.5,559 8.351,560 16126.3,561 1,563 339.763,564 1.531,565 4.714,566 0.183,567 0.008,568 0.074,569 0.054,570 0.043,571 0.031,572 0.023,573 0.018,574 0.01,575 0.009,576 0.454,577 0.33,578 1,579 1.493,580 137.304,581 0.089,582 -0.247,583 0.083,584 -0.159,585 0.01,586 -0.06,587 -0.009,588 0.027,589 0.207,590 0.165,591 0.138,592 0.201,593 -0.037,594 0.068,595 0.126,596 0.116,597 0.055,598 0.139,599 0.051,600 -0.029,601 0.043,602 0.017,603 0.097,604 0.03,605 0.036,606 -0.05,607 -0.068,608 -0.082,609 0.074,610 -0.085,611 -0.224,612 -0.037,613 -0.246,614 -0.108,615 -0.245,616 -0.167,617 0.108,618 -0.021,619 -0.14,620 -0.153,622 -0.172,623 -0.026,624 -0.037,625 0.004,626 -0.015,627 -0.038,628 -0.004,629 0.916,630 2.145,631 0.536,632 24.781,633 0.992,634 1.135,635 3.56,636 12.677,637 0.635,638 3.434,639 3.761,640 4.094,641 4.443,642 4.718,643 4.86,644 5.017,645 5.112,646 5.142,647 5.159,648 5.79,649 0.592,650 382.56,651 3.434,652 4.977,653 5.849,654 6.758,655 7.663,656 8.585,657 9.502,658 10.429,659 11.353,660 12.282,661 6.9,666 1,668 1,670 2,672 1,673 4,674 2,677 7,679 16,682 1,684 2,686 58,687 16,688 1,689 30,690 60,691 22,692 12,693 3,694 3,696 3,697 4,701 4,705 2,706 12,707 10,714 1,716 30,717 5,719 6,722 4,725 0.667,726 2,729 1,731 1,735 1,736 2,738 1,749 2,752 6,755 28,758 4,760 2,763 1,768 3.4,773 2,774 15.333,775 12.467,776 6.528,777 3.818,778 3.301,779 1.441,780 0.947,781 6.579,782 10.783,783 3.664,784 4.301,785 4.974,786 5.673,787 6.278,788 6.706,789 7.181,790 7.611,791 7.902,792 8.225,793 0.857,794 48,795 10.327,796 4.15,797 7.512,798 20.172,799 15.902,800 2.012,801 56.333,802 1,803 1,804 353.133,805 130.667,806 37.737,808 22,811 130.667,812 375.133,813 37.737,814 57.067,815 9.28,816 37.905,817 35.164,818 50.987,820 353.133,822 353.133,823 168.404,824 22,826 306.049,827 69.084,829 55.302,830 79.653,831 33.449,833 353.133,834 59.737,835 130.667,836 353.133,837 35.695,838 99.26,840 55.448,841 353.133,842 59.737,843 130.667,844 0.563,845 0.351,846 0.213,847 0.129,848 19,849 10,850 0.133,851 8,852 1,853 1.133,854 3.675,855 251.241,856 0.133,857 15,858 128.606,860 20.626,861 8.932,862 4.039,863 0.855,864 58.573,865 7.981,866 9.701,869 6.477,872 543.537,873 38,877 57.549,878 65.81,879 0.249,880 0.54,881 0.757,882 0.792,883 0.816,884 0.834,885 4.905,886 1.464,887 5.849,888 4.875,889 4.443,890 4.987,891 1.593,892 6.73,893 4.34,894 6.129,895 1.247,896 7.448,897 3.968,898 4.111,899 4.956,900 0.325,901 7.776,902 3.958,903 7.463,904 0.969,905 9.15,906 2.495,907 6.089,908 7.291,909 1.294,910 10.938,911 5.892,912 8.841,913 0.629,914 10.913,915 2.117,916 6.594,917 8.107,918 0.268,919 12.83,920 6.349,921 10.254,922 0.464,923 12.716,924 1.086,925 8.054,926 9.943,927 1.061,928 15.529,929 7.772,930 11.692,931 0.433,932 14.546,933 0.768,934 8.94,935 11.15,936 0.188,937 17.77,938 8.616,939 13.152,940 -0.065,941 16.396,942 0.673,943 10.211,944 12.797,945 0.861,946 20.319,947 9.852,948 3.36,949 -0.445,950 18.263,951 -0.137,952 11.269,953 14.187,954 0.125,955 22.704,956 10.87,957 2.957,958 12.187,959 20.144,960 -0.632,961 12.477,962 15.764,963 0.69,964 25.206,965 12.042,966 2.622,967 10.252,968 22.035,969 4.731,970 13.61,971 17.238,972 0.082,973 27.65,974 13.137,975 2.285,976 8.374,977 23.934,978 3.955,979 14.801,980 18.79,981 0.544,982 30.14,983 14.293,984 2.171,985 6.771,986 25.841,987 3.391,988 15.968,989 20.304,990 0.054,991 32.609,992 15.422,993 1.866,994 6.208,995 27.754,996 2.955,997 17.158,998 21.85,999 0.424,1000 35.098,1001 16.576,1002 1.668,1003 5.66,1004 29.672,1005 2.779,1006 18.341,1007 23.381,1008 0.035,1009 37.58,1010 17.722,1011 7985,1012 12047,1013 19.304,1014 36.83,1015 44.325,1016 45.004,1017 47.751,1018 44.219,1019 44.273,1020 56.941,1021 5.04,1022 130.871,1023 41.951,1024 5.573,1025 5.437,1026 6.863,1027 5.393,1028 5.36,1029 7.731,1030 1.72,1031 19.843,1032 5.231,1033 16.751,1034 1.478,1035 1.5,1036 1.592,1037 1.474,1038 1.476,1039 1.898,1040 0.168,1041 4.362,1042 1.398,1043 4.154,1044 4.202,1045 4.136,1046 4.007,1047 5.113,1048 4.031,1049 3.869,1050 3.892,1051 3.823,1052 3.753,1053 4.886,1054 3.767,1055 3.698,1056 3.769,1057 3.562,1058 3.532,1059 4.576,1060 3.528,1061 3.501,1062 3.586,1063 3.376,1064 3.362,1065 4.433,1066 3.357,1067 3.488,1068 3.548,1069 3.279,1070 3.348,1071 4.275,1072 3.32,1073 3.296,1074 3.35,1075 3.137,1076 2.999,1077 4.183,1078 3.019,1079 3.183,1080 3.265,1081 2.992,1082 2.94,1083 4.04,1084 2.936,1085 3.157,1086 3.255,1087 2.942,1088 2.921,1089 3.87,1090 2.914,1091 0.159,1092 0.115,1093 0.235,1094 0.144,1095 0.112,1096 4.771,1097 0.158,1098 3.437,1099 0.029,1100 7.061,1101 0.406,1102 4.32,1103 0.108,1104 3.36,1105 4.731,1106 0.86,1107 12.187,1108 3.231,1109 1.944,1110 1.923,1111 2.026,1112 2.1,1113 1.267,1114 2.073,1115 1.843,1116 1.799,1117 1.98,1118 1.989,1119 1.15,1120 1.983,1121 1.65,1122 1.583,1123 1.867,1124 1.846,1125 1.09,1126 1.863,1127 1.539,1128 1.459,1129 1.861,1130 1.738,1131 0.974,1132 1.785,1133 1.5,1134 1.45,1135 1.718,1136 1.686,1137 0.802,1138 1.696,1139 1.238,1140 1.168,1141 1.588,1142 1.554,1143 0.633,1144 1.562,1145 1.207,1146 1.128,1147 1.548,1148 1.481,1149 0.585,1150 1.506,1151 1.148,1152 1.061,1153 1.515,1154 1.434,1155 0.563,1156 1.471,1157 4.111,1159 5.434,1160 2.398,1161 6.969,1162 4.844,1163 8.611,1164 7.05,1165 10.314,1166 11.801,1171 4.156,1173 10.992,1176 2.392,1178 34.364,1179 84.449,1180 183.551,1181 257.234,1182 269.234,1183 277.234,1184 283.234,1185 43.479,1186 7.482,1187 51.89,1188 51.89,1189 17,1190 12.786,1191 4.087,1192 3.17,1193 49.252,1194 96,1195 109,1196 0.26,1197 214.3,1198 362.48,1199 514.651,1200 15831,1202 20.259,1203 0.724,1204 0.634,1205 20.259,1206 17.743,1207 13.532,1208 0.451,1209 0.329,1210 9.716,1211 12.909,1212 9.259,1213 7.876,1214 13.532,1215 9.878,1216 11.615,1217 0.277,1218 0.167,1219 11.615,1220 7.005,1221 9.915,1222 0.168,1223 0.082,1224 9.915,1225 4.862,1226 8.82,1227 0.105,1228 0.043,1229 8.82,1230 3.652,1231 7.502,1232 0.068,1233 0.023,1234 7.502,1235 2.551,1236 0.393,1237 85.351,1238 0.228,1239 25.993,1240 0.765,1241 144,1242 396.052,1243 159.138,1244 377.551,1245 534.06,1246 358,1247 173,1248 412.595,1249 189.972,1250 417.409,1251 614.82,1252 390,1253 5} {0 CHEMBL411252,1 1.625,2 77.421,3 -5.304,4 28.13,5 1040.75,6 6.831,7 0.038,8 6.453,9 6.598,10 5.871,11 5.831,12 7.599,13 5.816,14 7.028,15 7.23,16 6.232,17 6.231,18 8.198,19 6.171,20 7.407,21 7.645,22 6.375,23 6.443,24 8.523,25 6.368,26 7.549,27 7.796,28 6.511,29 6.532,30 8.687,31 6.483,32 7.609,33 7.826,34 6.712,35 6.624,36 9.024,37 6.594,38 7.73,39 7.952,40 6.764,41 6.751,42 9.03,43 6.704,44 7.844,45 8.069,46 6.828,47 6.871,48 9.074,49 6.816,50 7.96,51 8.191,52 6.949,53 6.977,54 9.268,55 6.909,56 1.465,57 8.351,58 140.796,59 50.724,60 264.3,61 74.314,62 5,63 12.45,64 260.442,65 83.865,66 856.588,67 129.211,68 9.376,69 15.359,70 398.423,71 106.943,72 1433.95,73 169.192,74 10.316,75 16.838,76 464.844,77 111.072,78 1743.68,79 183.188,80 15.069,81 18.438,82 494.579,83 120.942,84 2736.4,85 194.705,86 16.05,87 20.746,88 557.983,89 142.894,90 2624.1,91 222.955,92 15.123,93 23.208,94 620.83,95 161.254,96 2788.43,97 253.465,98 18.792,99 25.764,100 697.63,101 185.21,102 3451.04,103 292.652,104 11108,105 391,106 0.173,107 0.356,108 0.533,109 0.658,110 0.733,111 0.785,112 5.68,113 1.009,114 -12.9,115 -12.41,116 -11.31,117 30.8,118 26,119 53,120 10,122 8,124 31,125 2,127 5,128 1,130 1,134 1,138 46,139 2,140 1,143 11,144 11,145 11,147 9,149 9,150 60,151 9,153 16,154 7,155 51,156 2,157 52,159 4,160 44,161 7,162 6,163 2,165 44,167 33,168 34,169 78,170 2,171 1,172 11,174 6,177 65,178 2,180 5,181 4,182 64,183 9,184 1,185 7,187 10,190 37,191 57,192 9,193 2,194 51,195 12,196 66,197 7,198 2,199 35,200 1,201 5,203 14,204 63,205 7,206 2,207 54,208 47,209 70,210 1,211 6,212 60,213 4,215 2,217 10,218 74,219 2,220 5,221 18,222 12,223 62,224 9,225 9,226 76,227 17,228 3,231 36,232 82,233 8,234 10,235 60,236 16,237 88,238 7,239 6,240 74,241 22,243 5,246 14,247 93,248 7,249 6,250 57,251 46,252 106,253 1,254 6,255 81,256 10,257 2,258 12,261 839908,262 185.468,263 185.468,264 185.468,265 185.468,266 185.468,267 176.306,268 192.532,269 111.585,270 186.936,271 143.81,272 143.81,273 143.81,274 143.81,275 143.81,276 128.179,277 179.69,278 52.552,279 145.8,280 7.621,281 5.911,282 4.248,283 3.081,284 2.377,285 1.889,286 6.346,291 45192,292 19.416,294 1357.38,295 1614.9,298 12.499,299 797.432,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 664.5,310 22607,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.142,339 3.878,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.14,348 3.872,349 6.337,350 3.973,351 2.989,352 3.338,353 2.341,354 9.418,355 2.932,356 4.138,357 3.866,358 6.25,359 3.966,360 2.982,361 3.313,362 2.341,363 9.375,364 2.924,365 4.133,366 3.863,367 6.244,368 3.961,369 2.978,370 3.308,371 2.341,372 9.344,373 2.919,374 4.119,375 3.856,376 6.239,377 3.95,378 2.965,379 3.299,380 2.341,381 9.342,382 2.909,383 4.106,384 3.846,385 6.225,386 3.936,387 2.951,388 3.287,389 2.341,390 9.278,391 2.897,392 4.091,393 3.832,394 6.212,395 3.924,396 2.939,397 3.282,398 2.013,399 9.244,400 2.886,401 4.083,402 3.821,403 6.212,404 3.909,405 2.924,406 3.274,407 2.012,408 9.238,409 2.873,410 4.076,411 3.815,412 6.188,413 3.902,414 2.916,415 3.255,416 2.011,417 9.154,418 2.867,419 4.056,420 3.806,421 6.178,422 3.892,423 2.904,424 3.24,425 2.009,426 9.148,427 2.864,428 4.031,429 3.787,430 6.159,431 3.877,432 2.888,433 3.221,434 2.007,435 9.066,436 2.846,437 4.006,438 3.767,439 6.137,440 3.856,441 2.868,442 3.196,443 2.005,444 8.986,445 2.823,446 131.767,447 0.451,448 9.156,449 0.031,450 264.25,451 0.905,452 82,453 0.281,454 182.25,455 0.624,456 794.925,457 2.722,458 361.433,459 0.595,460 616.332,461 2.111,462 50.372,463 0.173,464 86.558,465 0.296,466 0.274,467 0.008,468 0.345,471 0.804,472 1.622,473 0.938,474 1.373,475 0.671,476 1.19,477 0.478,478 1.489,479 0.862,480 1.383,481 0.47,482 1.233,483 0.933,484 1.082,485 1.02,486 1.088,487 0.956,488 1.075,489 1.175,490 1.063,491 0.977,492 0.934,493 1.126,494 0.897,495 1,496 1.143,497 0.963,498 1.034,499 1.005,500 0.988,501 1.098,502 0.995,503 1.052,504 1.009,505 1.132,506 1.017,507 1.18,508 1.1,509 1.069,510 1.052,511 1.168,512 1.032,513 0.913,514 1.139,515 0.984,516 1.116,517 0.919,518 1.073,519 77.5,520 6.279,521 35.111,522 20.41,523 21.866,524 14.34,525 10.239,526 10.721,527 8.197,528 5.757,529 6118370,530 18411200,531 1.828,532 51.9,533 90,534 52,535 1,536 1,537 67,538 30,539 74,541 2.186,542 1.651,543 6.152,544 49.877,547 986.198,548 1.625,549 3.335,550 4.997,551 6.164,552 6.868,553 7.356,554 5.652,555 7.93,556 8.16,557 6.412,558 272410,559 15.063,560 23292400,563 5612.05,564 1.63,565 8.067,566 0.265,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.527,577 0.17,578 0.38,579 4.161,580 2700.28,581 -0.117,582 -0.089,583 -0.021,584 0.006,585 -0.065,586 0.021,587 0.202,588 -0.187,589 0.061,590 -0.151,591 0.14,592 -0.094,593 -0.018,594 0.03,595 -0.038,596 -0.034,597 -0.082,598 -0.045,599 -0.154,600 -0.016,601 0.03,602 0.061,603 -0.122,604 0.094,605 0.116,606 -0.037,607 0.06,608 -0.002,609 0.126,610 0.015,611 0.004,612 0.107,613 -0.033,614 0.025,615 -0.022,616 -0.011,617 -0.118,618 -0.009,619 -0.062,620 0.003,621 -0.08,622 -0.01,623 0.082,624 -0.058,625 0.009,626 -0.054,627 0.084,628 -0.042,629 3.576,630 8.524,631 0.038,632 1867.96,633 1.013,634 1.151,635 -17.675,636 312.393,637 0.598,638 5.684,639 5.971,640 6.091,641 6.256,642 6.425,643 6.475,644 6.561,645 6.663,646 6.677,647 6.681,648 43.299,649 0.572,650 4146.51,651 5.684,652 7.222,653 8.017,654 8.87,655 9.695,656 10.55,657 11.389,658 12.247,659 13.095,660 13.955,661 8.1,662 8,667 37,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 607,687 59,688 1,689 293,690 608,691 187,692 9,693 1,694 5,696 2,697 2,699 2,701 31,705 84,706 57,707 130,708 12,709 48,710 46,711 2,712 48,716 315,717 104,718 67,719 105,721 1,722 49,725 1,726 56,727 1,735 1,736 1,740 3,741 34,743 9,744 8,747 10,749 2,752 26,755 292,756 11,757 10,758 61,759 34,762 41,764 2,768 9.2,769 1,770 9,771 46,774 176.833,775 108.183,776 66.694,777 37.286,778 0.55,779 1.051,780 0.864,781 132.834,782 11.273,783 5.851,784 6.226,785 6.387,786 6.608,787 6.886,788 6.854,789 6.956,790 7.151,791 7.146,792 7.165,793 1,794 433,795 114.925,796 52.907,797 8.31,798 200.003,799 158.807,800 2.81,801 820.5,804 2919.23,805 635.574,806 1041.38,808 1583.5,811 635.574,812 4502.73,813 1041.38,814 229.455,815 1123.31,816 99.112,817 1760.25,818 56.299,819 15.569,820 2895.69,822 2919.23,823 1676.95,824 1583.5,826 2048.17,827 2411.88,828 42.683,829 1414.49,830 245.673,831 16.786,833 2919.23,834 2624.88,835 635.574,836 2919.23,837 341.072,838 294.503,839 629.151,840 1995.73,841 2919.23,842 2624.88,843 635.574,844 0.572,845 0.303,846 0.153,847 0.09,848 103,849 95,850 0.252,851 153,853 1,854 16.427,855 5326.06,857 11,858 2361.43,860 268.899,861 144.245,862 111.255,864 2608.09,865 10.744,866 4.269,867 2.771,869 0.606,871 1417.85,872 6179.68,873 346.5,874 653.678,875 8.001,876 -58.828,877 614.836,878 698.365,879 0.176,880 0.361,881 0.541,882 0.667,883 0.743,884 0.796,885 7.118,886 2.965,887 8.02,888 9.344,889 6.663,890 6.918,891 5.78,892 8.79,893 6.637,894 8.276,895 2.951,896 9.571,897 9.342,898 6.389,899 6.8,900 5.409,901 9.737,902 6.371,903 9.552,904 2.939,905 11.225,906 9.278,907 8.238,908 8.734,909 6.958,910 12.762,911 8.179,912 10.848,913 2.924,914 12.938,915 9.244,916 8.715,917 9.345,918 7.194,919 14.555,920 8.662,921 12.172,922 2.916,923 14.693,924 9.238,925 10.096,926 10.817,927 8.304,928 17.164,929 10.005,930 13.513,931 2.904,932 16.478,933 9.154,934 10.913,935 11.733,936 8.808,937 19.351,938 10.82,939 14.869,940 2.888,941 18.287,942 9.148,943 12.125,944 13.045,945 9.743,946 21.857,947 12,948 3.451,949 2.868,950 20.117,951 9.066,952 13.108,953 14.099,954 10.389,955 24.241,956 12.973,957 3.45,958 13.16,959 21.964,960 8.986,961 14.263,962 15.352,963 11.249,964 26.747,965 14.101,966 3.047,967 13.158,968 23.828,969 3.651,970 15.332,971 16.475,972 11.973,973 29.231,974 15.153,975 3.001,976 9.912,977 25.706,978 3.65,979 16.476,980 17.71,981 12.804,982 31.761,983 16.273,984 2.989,985 9.781,986 27.598,987 3.501,988 17.591,989 18.871,990 13.574,991 34.293,992 17.37,993 2.982,994 9.418,995 29.502,996 3.473,997 18.742,998 20.103,999 14.396,1000 36.844,1001 18.498,1002 2.978,1003 9.375,1004 31.419,1005 3.338,1006 19.888,1007 21.289,1008 15.193,1009 39.399,1010 19.624,1011 6153800,1012 10677500,1013 176.22,1014 362.997,1015 432.557,1016 457.176,1017 451.276,1018 425.265,1019 425.317,1020 484.323,1021 207.257,1022 1171.11,1023 420.382,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 302.383,1034 1.476,1035 1.56,1036 1.54,1037 1.451,1038 1.452,1039 1.653,1040 0.707,1041 3.997,1042 1.435,1043 4.364,1044 4.424,1045 4.243,1046 4.168,1047 7.556,1048 4.176,1049 3.933,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.841,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.764,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.739,1067 3.885,1068 3.932,1069 3.811,1070 3.712,1071 7.472,1072 3.723,1073 3.881,1074 3.929,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.878,1080 3.926,1081 3.801,1082 3.702,1083 7.472,1084 3.716,1085 3.869,1086 3.916,1087 3.793,1088 3.693,1089 7.472,1090 3.706,1091 0.015,1092 0.014,1093 0.025,1094 0.015,1095 0.012,1096 4.526,1097 0.012,1098 4.079,1099 0.008,1100 7.463,1101 0.045,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.345,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.341,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.03,1131 1.34,1132 2.025,1133 1.832,1134 1.783,1135 2.028,1136 2.027,1137 1.34,1138 2.023,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.817,1146 1.768,1147 2.014,1148 2.017,1149 1.334,1150 2.011,1151 1.808,1152 1.758,1153 2.013,1154 2.009,1155 1.334,1156 2.004,1157 6.375,1159 7.674,1160 2.398,1161 9.119,1162 4.443,1163 10.639,1164 6.26,1165 12.207,1166 40.486,1169 63.535,1170 101.782,1171 -24.146,1172 83.845,1175 -62.344,1177 -3.898,1178 347.142,1179 986.198,1180 2024.14,1181 3033.38,1182 3741.61,1183 4169.18,1184 4465.32,1185 15500.3,1186 10.723,1187 1736.16,1188 1736.16,1189 11,1190 14.508,1191 5.907,1192 5.768,1193 3622.27,1194 7715,1195 7736,1196 0.214,1197 2191.31,1198 4088.46,1199 5338.56,1200 1667900,1202 221.492,1203 0.759,1204 0.587,1205 221.492,1206 171.29,1207 136.93,1208 0.467,1209 0.336,1210 96.987,1211 130.151,1212 94.486,1213 78.99,1214 136.93,1215 98.591,1216 125.479,1217 0.321,1218 0.195,1219 125.479,1220 76.199,1221 86.617,1222 0.196,1223 0.106,1224 86.617,1225 46.876,1226 65.267,1227 0.126,1228 0.059,1229 65.267,1230 30.8,1231 51.718,1232 0.084,1233 0.032,1234 51.718,1235 19.523,1236 0.359,1237 873.208,1238 0.075,1239 158.925,1240 0.53,1241 1368,1242 4902.35,1243 1578.29,1244 4574.27,1245 5748.82,1246 4174,1247 1516,1248 3795.37,1249 1701.6,1250 3757.54,1251 5380.97,1252 3516,1253 7} {0 CHEMBL413897,1 1.619,2 71.897,3 -4.24,4 17.973,5 939.466,6 6.817,7 0.042,8 6.349,9 6.495,10 5.769,11 5.734,12 7.486,13 5.717,14 6.928,15 7.13,16 6.132,17 6.139,18 8.085,19 6.077,20 7.312,21 7.551,22 6.283,23 6.354,24 8.422,25 6.278,26 7.458,27 7.705,28 6.422,29 6.447,30 8.589,31 6.397,32 7.522,33 7.74,34 6.627,35 6.542,36 8.932,37 6.511,38 7.647,39 7.869,40 6.683,41 6.673,42 8.943,43 6.625,44 7.764,45 7.99,46 6.75,47 6.797,48 8.987,49 6.741,50 7.886,51 8.118,52 6.869,53 6.904,54 9.184,55 6.834,56 1.227,57 7.577,58 126.881,59 46.013,60 224.499,61 67.4,62 4.315,63 11.36,64 235.428,65 76.449,66 742.903,67 117.671,68 8.265,69 14.1,70 361.988,71 98.199,72 1273.25,73 154.874,74 9.056,75 15.535,76 423.954,77 102.05,78 1535.55,79 167.827,80 13.515,81 17.068,82 453.271,83 111.593,84 2458.77,85 179.169,86 14.483,87 19.284,88 512.952,89 132.238,90 2378.9,91 206.016,92 13.481,93 21.655,94 572.195,95 149.84,96 2492.71,97 235.263,98 17.016,99 24.058,100 647.862,101 172.331,102 3138.36,103 272.09,104 8381,105 355,106 0.176,107 0.356,108 0.534,109 0.665,110 0.744,111 0.797,112 5.576,113 1.012,114 -10.95,115 -10.56,116 -9.65,117 31.1,118 23,119 50,120 9,122 6,124 28,125 2,127 5,128 1,130 1,134 1,138 42,139 1,140 1,143 10,144 10,145 10,147 7,149 7,150 56,151 7,153 14,154 6,155 45,156 1,157 49,159 2,160 41,161 6,162 7,163 1,165 41,167 30,168 30,169 74,170 1,171 1,172 11,174 6,177 61,178 1,180 4,181 3,182 58,183 7,184 2,185 7,187 8,190 34,191 53,192 7,193 3,194 46,195 12,196 60,197 6,198 3,199 36,201 3,203 13,204 58,205 6,206 3,207 50,208 43,209 62,210 1,211 6,212 60,213 3,215 2,217 9,218 71,219 1,220 5,221 18,222 10,223 56,224 7,225 8,226 75,227 14,228 5,231 33,232 76,233 7,234 9,235 53,236 14,237 80,238 6,239 5,240 73,241 18,243 6,246 15,247 84,248 6,249 7,250 54,251 42,252 94,253 1,254 8,255 77,256 10,257 1,258 12,260 1,261 632069,262 167.425,263 167.425,264 167.425,265 167.425,266 167.425,267 159.302,268 173.799,269 100.607,270 168.614,271 130.083,272 130.083,273 130.083,274 130.083,275 130.083,276 116.063,277 162.557,278 47.398,279 131.651,280 7.476,281 5.812,282 4.168,283 2.959,284 2.237,285 1.746,286 6.243,291 37979,292 17.635,294 1207.25,295 1441.35,298 11.631,299 710.862,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 597,310 18909,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.5,335 2.341,336 9.912,337 2.992,338 4.146,339 3.882,340 6.418,341 3.986,342 3.001,343 3.471,344 2.341,345 9.781,346 2.95,347 4.14,348 3.873,349 6.337,350 3.977,351 2.993,352 3.338,353 2.341,354 9.418,355 2.936,356 4.132,357 3.863,358 6.254,359 3.964,360 2.981,361 3.318,362 2.341,363 9.39,364 2.923,365 4.121,366 3.857,367 6.242,368 3.953,369 2.968,370 3.309,371 2.341,372 9.339,373 2.913,374 4.108,375 3.847,376 6.227,377 3.937,378 2.953,379 3.298,380 2.013,381 9.3,382 2.898,383 4.104,384 3.832,385 6.216,386 3.925,387 2.94,388 3.289,389 2.012,390 9.251,391 2.888,392 4.087,393 3.821,394 6.212,395 3.908,396 2.923,397 3.275,398 2.011,399 9.24,400 2.873,401 4.076,402 3.809,403 6.182,404 3.906,405 2.92,406 3.254,407 2.009,408 9.166,409 2.871,410 4.058,411 3.802,412 6.181,413 3.893,414 2.905,415 3.241,416 2.006,417 9.132,418 2.863,419 4.029,420 3.787,421 6.168,422 3.88,423 2.891,424 3.222,425 2.003,426 9.095,427 2.849,428 4.008,429 3.769,430 6.127,431 3.852,432 2.864,433 3.193,434 2,435 8.947,436 2.819,437 3.993,438 3.75,439 6.108,440 3.826,441 2.838,442 3.169,443 1.996,444 8.892,445 2.796,446 118.933,447 0.452,448 8.214,449 0.031,450 238.75,451 0.908,452 74.5,453 0.283,454 164.25,455 0.625,456 693.361,457 2.636,458 324.467,459 0.593,460 533.934,461 2.03,462 45.031,463 0.171,464 78.427,465 0.298,466 0.268,467 0.008,468 0.345,471 0.789,472 1.608,473 0.935,474 1.364,475 0.655,476 1.186,477 0.473,478 1.492,479 0.863,480 1.381,481 0.467,482 1.232,483 0.933,484 1.084,485 1.015,486 1.088,487 0.956,488 1.071,489 1.193,490 1.062,491 0.981,492 0.932,493 1.137,494 0.896,495 1.013,496 1.14,497 0.966,498 1.031,499 1.015,500 0.986,501 1.102,502 0.995,503 1.051,504 1.005,505 1.132,506 1.013,507 1.177,508 1.104,509 1.07,510 1.056,511 1.163,512 1.035,513 0.935,514 1.134,515 0.991,516 1.107,517 0.943,518 1.068,519 69.5,520 5.616,521 32,522 18.535,523 19.946,524 13.229,525 9.464,526 9.909,527 7.694,528 5.325,529 4631130,530 13590500,531 1.838,532 51.9,533 83,534 45,535 1,536 1,537 59,538 27,539 68,541 2.169,542 1.661,543 6.039,544 43.415,547 885.722,548 1.619,549 3.284,550 4.928,551 6.137,552 6.859,553 7.349,554 5.534,555 7.78,556 8.009,557 6.301,558 217083,559 14.759,560 17106400,563 4975.18,564 1.633,565 7.918,566 0.262,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.525,577 0.17,578 0.38,579 2.084,580 2383.67,581 -0.111,582 -0.082,583 -0.017,584 0.007,585 -0.06,586 0.022,587 0.202,588 -0.193,589 0.06,590 -0.152,591 0.136,592 -0.094,593 -0.014,594 0.025,595 -0.032,596 -0.034,597 -0.079,598 -0.042,599 -0.162,600 -0.016,601 0.028,602 0.061,603 -0.127,604 0.094,605 0.117,606 -0.034,607 0.06,608 -0.002,609 0.126,610 0.015,611 0.009,612 0.106,613 -0.03,614 0.026,615 -0.017,616 -0.009,617 -0.114,618 -0.012,619 -0.062,620 -0.003,621 -0.077,622 -0.015,623 0.073,624 -0.058,625 0.006,626 -0.051,627 0.075,628 -0.041,629 3.547,630 8.204,631 0.11,632 1579.83,633 1.012,634 1.15,635 -15.722,636 247.17,637 0.599,638 5.583,639 5.875,640 6.004,641 6.172,642 6.344,643 6.399,644 6.486,645 6.588,646 6.605,647 6.607,648 40.07,649 0.573,650 3728.98,651 5.583,652 7.124,653 7.923,654 8.777,655 9.605,656 10.462,657 11.303,658 12.163,659 13.012,660 13.873,661 8,662 6,667 35,668 1,669 1,670 1,673 7,674 1,675 1,677 2,679 11,686 547,687 54,688 1,689 265,690 549,691 170,692 9,693 1,694 5,696 3,697 3,699 1,701 27,702 9,705 78,706 52,707 118,708 11,709 43,710 42,711 1,712 43,716 284,717 92,718 59,719 93,721 1,722 44,725 1,726 49,735 1,736 1,740 4,741 31,743 7,744 6,747 7,749 3,752 23,755 263,756 10,757 7,758 56,759 31,762 37,764 2,768 9,770 7,771 42,774 158.333,775 97.55,776 59.944,777 33.915,778 0.537,779 1.049,780 0.87,781 116.266,782 11.44,783 5.751,784 6.129,785 6.301,786 6.528,787 6.809,788 6.783,789 6.885,790 7.074,791 7.072,792 7.071,793 0.979,794 396,795 103.494,796 47.725,797 8.286,798 180.751,799 144.305,800 2.786,801 732.833,804 2648.5,805 586.261,806 937.662,808 1354.87,811 586.261,812 4003.37,813 937.662,814 202.98,815 1026.67,816 56.429,817 1563.08,818 39.513,819 13.67,820 2624.96,822 2648.5,823 1523.92,824 1354.87,826 1848.06,827 2155.3,829 1274.59,830 232.545,831 16.786,833 2648.5,834 2292.53,835 586.261,836 2648.5,837 318.234,838 268.027,839 575.119,840 1717.41,841 2648.5,842 2292.53,843 586.261,844 0.573,845 0.306,846 0.155,847 0.092,848 97,849 86,850 0.23,851 126,853 1,854 15.309,855 4671.73,857 29,858 2086.24,860 239.851,861 127.487,862 96.434,864 2275.75,865 11.575,866 4.261,867 2.81,869 0.995,871 1202.87,872 5527.29,873 313.5,874 597.668,875 4.039,876 -52.047,877 553.549,878 629.01,879 0.178,880 0.361,881 0.542,882 0.675,883 0.754,884 0.808,885 7.02,886 2.953,887 7.926,888 9.339,889 6.567,890 6.821,891 5.67,892 8.701,893 6.543,894 8.178,895 2.94,896 9.48,897 9.3,898 6.293,899 6.702,900 5.288,901 9.66,902 6.279,903 9.455,904 2.923,905 11.137,906 9.251,907 8.148,908 8.64,909 6.838,910 12.688,911 8.093,912 10.753,913 2.92,914 12.854,915 9.24,916 8.629,917 9.253,918 7.059,919 14.495,920 8.58,921 12.079,922 2.905,923 14.612,924 9.166,925 10.013,926 10.729,927 8.168,928 17.109,929 9.926,930 13.422,931 2.891,932 16.401,933 9.132,934 10.836,935 11.648,936 8.657,937 19.309,938 10.746,939 14.781,940 2.864,941 18.215,942 9.095,943 12.051,944 12.963,945 9.59,946 21.821,947 11.929,948 3.451,949 2.838,950 20.049,951 8.947,952 13.04,953 14.021,954 10.222,955 24.215,956 12.907,957 3.45,958 13.16,959 21.902,960 8.892,961 14.199,962 15.279,963 11.077,964 26.727,965 14.038,966 3.047,967 13.158,968 23.77,969 3.651,970 15.272,971 16.404,972 11.79,973 29.216,974 15.096,975 3.001,976 9.912,977 25.653,978 3.65,979 16.42,980 17.644,981 12.615,982 31.751,983 16.219,984 2.993,985 9.781,986 27.55,987 3.5,988 17.541,989 18.808,990 13.376,991 34.286,992 17.321,993 2.981,994 9.418,995 29.459,996 3.471,997 18.696,998 20.044,999 14.193,1000 36.839,1001 18.453,1002 2.968,1003 9.39,1004 31.381,1005 3.338,1006 19.847,1007 21.233,1008 14.983,1009 39.396,1010 19.583,1011 4635440,1012 7943990,1013 160.094,1014 327.889,1015 391.888,1016 414.529,1017 408.734,1018 385.294,1019 385.278,1020 438.655,1021 185.885,1022 1064.94,1023 381.463,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 266.012,1034 1.479,1035 1.564,1036 1.542,1037 1.454,1038 1.454,1039 1.655,1040 0.701,1041 4.019,1042 1.439,1043 4.319,1044 4.378,1045 4.203,1046 4.127,1047 7.543,1048 4.135,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.909,1056 3.949,1057 3.838,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.885,1068 3.932,1069 3.812,1070 3.712,1071 7.472,1072 3.724,1073 3.882,1074 3.93,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.878,1080 3.926,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.868,1086 3.916,1087 3.792,1088 3.693,1089 7.46,1090 3.705,1091 0.017,1092 0.015,1093 0.028,1094 0.017,1095 0.013,1096 4.526,1097 0.014,1098 4.079,1099 0.009,1100 7.463,1101 0.05,1102 4.434,1103 0.013,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.926,1110 1.897,1111 2.057,1112 2.043,1113 1.348,1114 2.041,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.347,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.035,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.033,1130 2.03,1131 1.34,1132 2.024,1133 1.833,1134 1.784,1135 2.028,1136 2.028,1137 1.34,1138 2.024,1139 1.822,1140 1.774,1141 2.017,1142 2.023,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.015,1148 2.016,1149 1.334,1150 2.011,1151 1.809,1152 1.76,1153 2.009,1154 2.01,1155 1.33,1156 2.005,1157 6.275,1159 7.576,1160 2.398,1161 9.025,1162 4.443,1163 10.549,1164 6.26,1165 12.12,1166 36.628,1169 57.635,1170 71.075,1171 -20.051,1172 77.117,1175 -55.159,1177 -3.713,1178 313.183,1179 885.722,1180 1796.28,1181 2695.35,1182 3356.75,1183 3751.67,1184 4020.17,1185 9516.15,1186 10.904,1187 1532.72,1188 1532.72,1189 29,1190 14.426,1191 5.781,1192 5.629,1193 2266.05,1194 6411,1195 6634,1196 0.161,1197 1973.54,1198 3678.67,1199 4807.19,1200 2151360,1202 198.932,1203 0.756,1204 0.587,1205 198.932,1206 154.446,1207 123.458,1208 0.466,1209 0.337,1210 87.998,1211 117.493,1212 85.752,1213 71.658,1214 123.458,1215 89.413,1216 113.161,1217 0.319,1218 0.195,1219 113.161,1220 69.301,1221 79.106,1222 0.196,1223 0.107,1224 79.106,1225 43.13,1226 59.732,1227 0.125,1228 0.059,1229 59.732,1230 28.4,1231 47.472,1232 0.084,1233 0.032,1234 47.472,1235 18.036,1236 0.27,1237 786.241,1238 0.079,1239 147.885,1240 0.399,1241 1240,1242 4379,1243 1426.49,1244 4090.45,1245 5152.21,1246 3734,1247 1379,1248 3414.38,1249 1545,1250 3381.23,1251 4847.86,1252 3166,1253 8.959} {0 CHEMBL426607,1 1.618,2 8.714,3 5.65,4 31.924,5 110.929,6 8.065,7 0.344,8 4.064,9 4.185,10 3.716,11 3.636,12 5.03,13 3.599,14 4.634,15 4.83,16 4.087,17 4.016,18 5.56,19 3.949,20 4.864,21 5.076,22 4.294,23 4.179,24 5.829,25 4.114,26 4.994,27 5.193,28 4.438,29 4.322,30 6.036,31 4.256,32 5.076,33 5.273,34 4.365,35 4.402,36 6.007,37 4.312,38 5.205,39 5.437,40 4.343,41 4.402,42 6.162,43 4.29,44 5.183,45 5.432,46 4.114,47 4.317,48 6.151,49 4.148,50 5.036,51 5.326,52 3.855,53 4.164,54 5.761,55 3.915,56 0.008,57 0.785,58 10.076,59 4.726,60 5.358,61 6.417,62 0.256,63 1.278,64 22.151,65 8.092,66 18.654,67 11.26,68 0.361,69 1.513,70 33.151,71 10.353,72 31.697,73 14.315,74 0.606,75 1.738,76 39.427,77 11.028,78 60.134,79 14.843,80 0.379,81 1.904,82 37.483,83 12.784,84 36.03,85 17.771,86 0.475,87 2.02,88 43.319,89 14.262,90 53.912,91 19.677,92 0.817,93 1.764,94 51.919,95 15.272,96 97.311,97 20.395,98 0.34,99 1.436,100 46.004,101 15.742,102 45.667,103 21.785,104 27,105 49,106 0.271,107 0.582,108 0.774,109 0.796,110 0.796,111 0.796,112 3.377,113 1.016,114 -6.53,115 -6.36,116 -5.9,117 40.4,118 1,119 5,120 2,121 1,123 1,124 1,127 3,129 3,131 1,135 1,138 1,141 1,150 8,152 4,153 5,160 5,164 3,165 9,172 7,176 3,177 5,185 8,191 21,199 6,204 18,212 5,218 5,226 6,232 1,240 13,247 1,255 13,261 1098,262 18.955,263 18.955,264 18.955,265 18.955,266 18.955,267 17.511,268 23.908,269 10.592,270 19.511,271 15.699,272 15.699,273 15.699,274 15.699,275 15.699,276 13.303,277 31.524,278 4.915,279 16.747,280 4.082,281 2.226,282 1.082,283 0.952,284 0.952,285 0.952,286 4.06,287 2,290 1,291 545,292 3.162,293 88.964,294 56.54,295 150.688,297 107.389,298 1.306,299 26.134,301 0.75,302 0.83,303 0.83,304 0.9,305 1,306 0.83,307 1,308 0.88,309 59.667,310 244,311 4.734,312 3.818,313 7.256,314 4.41,315 3.463,316 4.396,317 1.225,318 12.935,319 3.286,320 4.315,321 3.358,322 6.753,323 4.08,324 3.121,325 3.913,326 0.842,327 11.028,328 3.003,329 4.075,330 3.333,331 6.38,332 3.802,333 2.856,334 3.225,335 0.308,336 9.62,337 2.662,338 3.759,339 2.946,340 5.885,341 3.476,342 2.53,343 2.96,345 7.968,346 2.414,347 3.606,348 2.769,349 5.62,350 3.414,351 2.414,352 2.875,354 7.139,355 2.386,356 3.414,357 2.549,358 5.414,359 3.225,360 2.323,361 2.438,363 6.928,364 2.047,365 3.243,366 2.414,367 5.185,368 2.839,369 1.934,370 2.414,372 5.929,373 1.751,374 3.01,375 2.161,376 4.917,377 2.711,378 1.804,379 2.104,381 5.366,382 1.565,383 2.802,384 1.843,385 4.595,386 2.4,387 1.473,388 1.909,390 4.278,391 1.325,392 2.533,393 1.696,394 4.159,395 2.231,396 1.264,397 1.503,399 3.383,400 1.185,401 1.912,402 1.177,403 3.829,404 1.59,405 0.663,406 0.782,408 1.914,409 0.604,410 1.866,411 0.774,412 3.451,413 1.558,414 0.558,415 0.668,417 1.318,418 0.549,419 1.482,420 0.458,421 2.991,422 1.271,423 0.285,424 0.339,426 0.464,427 0.273,428 1.152,429 0.413,430 2.657,431 0.734,432 -0.116,433 -0.137,435 -0.275,436 -0.086,437 0.795,438 0.256,439 2.586,440 0.586,441 -0.414,442 -0.414,444 -1,445 -0.293,446 13.862,447 0.495,448 0.854,449 0.03,450 31.5,451 1.125,452 12,453 0.429,454 19.5,455 0.696,456 31.2,457 1.114,458 30.538,459 0.587,460 21.926,461 0.783,462 5.253,463 0.188,464 8.238,465 0.294,466 0.199,468 0.447,471 0.645,472 1.534,473 0.574,474 1.019,475 0.495,476 0.951,477 0.712,478 1.138,479 0.64,480 0.858,481 0.48,482 0.882,483 0.871,484 1.137,485 0.768,486 0.873,487 0.763,488 0.808,489 1.275,490 0.954,491 0.798,492 0.748,493 1.317,494 0.822,495 0.862,496 1.292,497 0.837,498 1.14,499 0.815,500 1.124,501 1.148,502 1.135,503 0.765,504 0.974,505 1.261,506 1.038,507 1.349,508 0.812,509 1.056,510 0.98,511 1.683,512 1.078,513 0.521,514 0.911,515 0.839,516 1.035,517 0.633,518 1.062,519 5.5,520 0.075,521 3,522 2.306,523 2.279,524 1.577,525 1.178,526 0.478,527 0.323,528 0.135,529 8579,530 21935,531 2.133,532 46.2,533 11,534 7,535 2,538 2,539 2,541 1.721,542 1.953,543 3.055,544 -0.742,547 84.145,548 1.618,549 3.475,550 4.618,551 4.748,552 4.748,553 4.748,554 2.513,555 4.379,556 4.779,557 3.213,558 1214.62,559 8.371,560 15026.6,563 296.423,564 1.488,565 4.722,566 0.172,567 0.011,568 0.07,569 0.044,570 0.04,571 0.028,572 0.024,573 0.014,574 0.013,575 0.008,576 0.423,577 0.33,578 0.75,579 0.787,580 135.342,581 -0.005,582 -0.297,583 0.034,584 -0.08,585 0.01,586 -0.013,587 0.111,588 0.018,589 0.075,590 0.046,591 0.11,592 0.04,593 0.11,594 -0.052,595 0.111,596 0.061,597 0.083,598 0.131,599 -0.074,600 0.178,601 0.039,602 0.153,603 -0.036,604 0.075,605 -0.014,606 -0.185,607 -0.093,608 -0.216,609 -0.027,610 -0.187,611 -0.12,612 -0.088,613 -0.032,614 -0.076,615 -0.065,616 -0.113,617 -0.148,618 0.124,619 -0.127,620 -0.021,621 -0.116,622 -0.115,623 0.12,624 -0.091,625 0.103,626 -0.003,627 0.036,628 0.002,629 1.616,630 6.257,631 0.75,632 21.571,633 1.002,634 1.128,635 5.301,636 28.102,637 0.684,638 3.497,639 3.912,640 4.22,641 4.595,642 4.913,643 5.1,644 5.209,645 5.338,646 5.407,647 5.447,648 5.315,649 0.639,650 419.39,651 3.497,652 5.094,653 6.009,654 6.95,655 7.888,656 8.837,657 9.783,658 10.735,659 11.685,660 12.639,661 7.7,667 1,668 2,670 1,673 3,674 1,677 6,678 1,679 11,680 1,682 1,685 2,686 52,687 12,688 1,689 32,690 56,691 21,692 9,693 3,694 3,695 1,696 5,697 6,698 2,701 1,702 4,703 2,705 6,706 10,707 11,708 2,709 1,710 1,712 1,716 24,717 4,719 7,720 2,721 1,722 4,725 0.8,726 1,734 2,735 1,736 2,738 1,749 4,752 2,753 2,755 28,758 6,762 3,763 2,767 2,768 1.9,771 1,774 14.333,775 10.002,776 5.972,777 3.576,778 2.066,779 1.269,780 1.001,781 4.644,782 9.738,783 3.676,784 4.287,785 4.849,786 5.449,787 5.944,788 6.283,789 6.576,790 6.915,791 7.223,792 7.482,793 0.833,794 52,795 10.446,796 4.669,797 7.603,798 20.518,799 18.319,800 2.103,801 58.889,804 282.506,805 81.875,806 24.933,807 78.297,808 25.145,811 81.875,812 385.949,813 24.933,814 17.222,815 17.474,816 28.429,817 48.963,818 14.781,819 28.627,820 258.964,821 78.297,822 282.506,823 106.808,824 25.145,825 78.297,826 258.964,827 48.687,829 33.65,830 56.372,831 95.083,833 282.506,834 50.078,835 160.172,836 282.506,837 36.225,838 53.798,840 120.228,841 282.506,842 50.078,843 160.172,844 0.601,845 0.345,846 0.201,847 0.119,848 28,849 13,850 0.089,851 5,852 1,853 1.095,854 3.784,855 276.18,856 0.095,857 21,858 124.606,860 18.773,861 6.927,862 3.37,864 48.179,865 5.471,866 4.966,869 4.448,870 2.291,872 492.757,873 38.5,874 13.257,876 0.051,877 52.102,878 58.658,879 0.284,880 0.61,881 0.81,882 0.833,883 0.833,884 0.833,885 4.996,886 1.804,887 6.043,888 5.929,889 4.595,890 4.973,891 1.641,892 6.974,893 4.473,894 6.235,895 1.473,896 7.682,897 5.366,898 4.511,899 5.007,900 0.57,901 8.152,902 4.322,903 7.582,904 1.264,905 9.42,906 4.278,907 6.333,908 7.151,909 1.696,910 11.291,911 6.114,912 8.957,913 0.663,914 11.214,915 3.383,916 6.976,917 7.944,918 0.889,919 13.252,920 6.7,921 10.363,922 0.558,923 13.043,924 1.914,925 8.374,926 9.66,927 1.889,928 15.977,929 8.064,930 11.79,931 0.285,932 14.896,933 1.318,934 9.331,935 10.803,936 1.233,937 18.273,938 8.967,939 13.236,940 -0.116,941 16.768,942 0.464,943 10.589,944 12.361,945 2.144,946 20.863,947 10.185,948 3.463,949 -0.414,950 18.655,951 -0.275,952 11.686,953 13.671,954 1.618,955 23.301,956 11.228,957 3.121,958 12.935,959 20.555,960 -1,961 12.902,962 15.169,963 2.438,964 25.85,965 12.399,966 2.856,967 11.028,968 22.465,969 4.396,970 14.063,971 16.559,972 2.03,973 28.349,974 13.507,975 2.53,976 9.62,977 24.384,978 3.913,979 15.27,980 18.034,981 2.758,982 30.89,983 14.666,984 2.414,985 7.968,986 26.31,987 3.225,988 16.461,989 19.463,990 2.456,991 33.416,992 15.805,993 2.323,994 7.139,995 28.242,996 2.96,997 17.672,998 20.931,999 3.098,1000 35.958,1001 16.966,1002 1.934,1003 6.928,1004 30.18,1005 2.875,1006 18.879,1007 22.38,1008 2.887,1009 38.497,1010 18.12,1011 8070,1012 13100,1013 21.213,1014 35.569,1015 50.222,1016 51.542,1017 53.388,1018 49.719,1019 49.379,1020 59.053,1021 4.75,1022 156.541,1023 46.102,1024 5.734,1025 5.818,1026 6.776,1027 5.49,1028 5.463,1029 7.396,1030 2.326,1031 20.699,1032 5.286,1033 14.768,1034 1.569,1035 1.611,1036 1.668,1037 1.554,1038 1.543,1039 1.845,1040 0.148,1041 4.892,1042 1.441,1043 4.135,1044 4.183,1045 4.137,1046 3.998,1047 7.428,1048 4.009,1049 3.937,1050 3.975,1051 4.022,1052 3.863,1053 5.029,1054 3.855,1055 3.818,1056 3.85,1057 3.789,1058 3.698,1059 4.845,1060 3.71,1061 3.732,1062 3.791,1063 3.586,1064 3.627,1065 4.626,1066 3.608,1067 3.553,1068 3.627,1069 3.581,1070 3.346,1071 4.345,1072 3.353,1073 3.28,1074 3.376,1075 3.44,1076 3.064,1077 4.192,1078 3.058,1079 3.092,1080 3.153,1081 3.141,1082 2.916,1083 4.11,1084 2.921,1085 2.879,1086 2.922,1087 3.069,1088 2.793,1089 4.045,1090 2.767,1091 0.148,1092 0.119,1093 0.227,1094 0.138,1095 0.108,1096 4.734,1097 0.137,1098 3.818,1099 0.038,1100 7.256,1101 0.404,1102 4.41,1103 0.103,1104 3.463,1105 4.396,1106 1.225,1107 12.935,1108 3.286,1109 1.898,1110 1.876,1111 1.954,1112 2.028,1113 1.278,1114 2.011,1115 1.749,1116 1.704,1117 1.898,1118 1.916,1119 1.12,1120 1.912,1121 1.615,1122 1.56,1123 1.793,1124 1.809,1125 1.021,1126 1.813,1127 1.458,1128 1.392,1129 1.715,1130 1.645,1131 0.922,1132 1.677,1133 1.162,1134 1.078,1135 1.513,1136 1.405,1137 0.825,1138 1.429,1139 1.153,1140 1.064,1141 1.513,1142 1.376,1143 0.825,1144 1.429,1145 1.153,1146 1.064,1147 1.441,1148 1.376,1149 0.627,1150 1.423,1151 1.016,1152 0.96,1153 1.262,1154 1.263,1155 0.558,1156 1.259,1157 4.174,1158 2.565,1159 5.565,1160 4.511,1161 7.157,1162 6.402,1163 8.844,1164 8.305,1165 10.584,1166 3.962,1167 12.611,1171 6.261,1175 1.775,1176 3.795,1178 33.25,1179 84.145,1180 180.674,1181 240.158,1182 246.913,1183 246.913,1184 246.913,1185 46.589,1186 7.672,1187 41.37,1188 41.37,1189 23,1190 13.127,1191 3.7,1192 2.907,1193 37.215,1194 89,1195 101,1196 0.211,1197 205.517,1198 355.63,1199 493.223,1200 19048,1201 3.8,1202 19.577,1203 0.699,1204 0.631,1205 20.577,1206 17.672,1207 13.49,1208 0.422,1209 0.339,1210 10.032,1211 12.501,1212 9.711,1213 7.965,1214 14.068,1215 10.839,1216 12.77,1217 0.261,1218 0.186,1219 13.549,1220 9.101,1221 10.529,1222 0.157,1223 0.091,1224 11.123,1225 6.11,1226 9.272,1227 0.095,1228 0.049,1229 10.009,1230 4.838,1231 7.948,1232 0.059,1233 0.026,1234 8.349,1235 3.53,1236 0.314,1237 89.976,1238 0.217,1239 25.668,1240 0.641,1241 162,1242 408.723,1243 205.383,1244 456.252,1245 618.6,1246 426,1247 203,1248 427.038,1249 240.247,1250 450.218,1251 678.41,1252 425,1253 5} {0 CHEMBL427614,1 1.626,2 77.196,3 -5.588,4 31.23,5 1012.84,6 6.855,7 0.038,8 6.426,9 6.571,10 5.849,11 5.808,12 7.57,13 5.793,14 7.004,15 7.205,16 6.214,17 6.213,18 8.17,19 6.154,20 7.389,21 7.626,22 6.366,23 6.428,24 8.509,25 6.355,26 7.536,27 7.781,28 6.508,29 6.52,30 8.682,31 6.474,32 7.597,33 7.812,34 6.712,35 6.615,36 9.026,37 6.588,38 7.723,39 7.944,40 6.763,41 6.747,42 9.027,43 6.701,44 7.84,45 8.065,46 6.829,47 6.869,48 9.07,49 6.816,50 7.959,51 8.188,52 6.953,53 6.977,54 9.272,55 6.91,56 1.42,57 8.152,58 136.35,59 49.541,60 255.272,61 72.289,62 4.836,63 12.224,64 253.501,65 82.096,66 830.209,67 126.245,68 9.228,69 15.179,70 390.883,71 105.605,72 1415.18,73 166.365,74 10.31,75 16.704,76 458.884,77 109.678,78 1734.92,79 180.307,80 15.107,81 18.341,82 488.36,83 119.796,84 2751.81,85 192.06,86 15.981,87 20.722,88 553.2,89 142.196,90 2624.04,91 221.175,92 15.107,93 23.24,94 618.216,95 160.766,96 2778.58,97 252.091,98 18.91,99 25.844,100 696.402,101 184.887,102 3483.17,103 291.659,104 10101,105 385,106 0.174,107 0.354,108 0.532,109 0.662,110 0.743,111 0.797,112 5.656,113 1.008,114 -13.12,115 -12.62,116 -11.5,117 31,118 25,119 52,120 10,122 7,124 31,125 2,127 5,128 1,130 1,134 1,138 46,139 1,140 1,143 10,144 10,145 10,147 8,149 8,150 59,151 8,153 15,154 6,155 49,156 1,157 52,159 2,160 44,161 6,162 7,163 1,165 43,167 33,168 34,169 77,170 2,171 1,172 11,174 6,177 64,178 2,180 6,181 5,182 61,183 8,184 2,185 7,187 8,190 38,191 56,192 8,193 3,194 52,195 13,196 64,197 6,198 3,199 36,200 1,201 3,203 14,204 63,205 6,206 3,207 54,208 47,209 69,210 1,211 6,212 59,213 4,215 2,217 9,218 75,219 2,220 5,221 19,222 11,223 64,224 8,225 8,226 75,227 15,228 5,231 37,232 81,233 7,234 9,235 59,236 15,237 91,238 6,239 5,240 74,241 20,243 6,246 15,247 91,248 6,249 7,250 57,251 46,252 104,253 1,254 8,255 81,256 10,257 1,258 12,260 1,261 791788,262 181.226,263 181.226,264 181.226,265 181.226,266 181.226,267 172.505,268 187.221,269 108.702,270 182.527,271 140.843,272 140.843,273 140.843,274 140.843,275 140.843,276 125.725,277 175.12,278 51.15,279 142.573,280 7.579,281 5.899,282 4.243,283 3.03,284 2.272,285 1.763,286 6.323,291 44148,292 18.466,294 1306.76,295 1555.31,298 12.499,299 784.49,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 648.5,310 22001,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.146,339 3.882,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.977,351 2.993,352 3.338,353 2.341,354 9.418,355 2.936,356 4.138,357 3.866,358 6.254,359 3.964,360 2.981,361 3.318,362 2.341,363 9.39,364 2.923,365 4.132,366 3.863,367 6.242,368 3.961,369 2.978,370 3.309,371 2.341,372 9.342,373 2.919,374 4.121,375 3.856,376 6.239,377 3.953,378 2.968,379 3.298,380 2.341,381 9.339,382 2.913,383 4.107,384 3.847,385 6.227,386 3.937,387 2.953,388 3.289,389 2.013,390 9.3,391 2.898,392 4.091,393 3.832,394 6.216,395 3.924,396 2.939,397 3.282,398 2.012,399 9.251,400 2.886,401 4.083,402 3.821,403 6.212,404 3.908,405 2.922,406 3.275,407 2.011,408 9.238,409 2.873,410 4.076,411 3.816,412 6.182,413 3.902,414 2.916,415 3.254,416 2.009,417 9.148,418 2.867,419 4.058,420 3.806,421 6.178,422 3.893,423 2.905,424 3.241,425 2.007,426 9.132,427 2.863,428 4.029,429 3.788,430 6.168,431 3.88,432 2.891,433 3.222,434 2.005,435 9.095,436 2.849,437 4.009,438 3.77,439 6.127,440 3.852,441 2.864,442 3.195,443 2.002,444 8.947,445 2.819,446 128.633,447 0.451,448 8.974,449 0.031,450 258.75,451 0.908,452 80.5,453 0.282,454 178.25,455 0.625,456 767.585,457 2.693,458 351.967,459 0.597,460 598.027,461 2.098,462 49.071,463 0.172,464 84.626,465 0.297,466 0.271,467 0.008,468 0.35,471 0.794,472 1.613,473 0.93,474 1.366,475 0.66,476 1.184,477 0.48,478 1.497,479 0.861,480 1.381,481 0.473,482 1.231,483 0.928,484 1.086,485 1.015,486 1.09,487 0.953,488 1.074,489 1.177,490 1.059,491 0.974,492 0.928,493 1.127,494 0.891,495 0.996,496 1.144,497 0.961,498 1.033,499 0.998,500 0.988,501 1.093,502 0.997,503 1.051,504 1.009,505 1.123,506 1.016,507 1.184,508 1.101,509 1.072,510 1.05,511 1.17,512 1.031,513 0.917,514 1.14,515 0.985,516 1.112,517 0.921,518 1.071,519 76,520 6.122,521 34.667,522 20.285,523 21.866,524 14.285,525 10.239,526 10.784,527 8.246,528 5.757,529 5816820,530 17469600,531 1.835,532 51.7,533 90,534 50,535 1,536 1,537 64,538 29,539 70,541 2.182,542 1.657,543 6.143,544 47.335,547 959.22,548 1.626,549 3.305,550 4.962,551 6.174,552 6.932,553 7.441,554 5.657,555 7.922,556 8.124,557 6.406,558 259259,559 14.988,560 21870600,563 5430.7,564 1.631,565 8.033,566 0.265,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.528,577 0.17,578 0.38,579 2.207,580 2625.75,581 -0.114,582 -0.086,583 -0.019,584 0.007,585 -0.061,586 0.022,587 0.197,588 -0.196,589 0.06,590 -0.152,591 0.133,592 -0.094,593 -0.014,594 0.026,595 -0.033,596 -0.036,597 -0.081,598 -0.045,599 -0.152,600 -0.013,601 0.034,602 0.064,603 -0.12,604 0.098,605 0.124,606 -0.035,607 0.062,608 -0.003,609 0.135,610 0.014,611 0.004,612 0.106,613 -0.033,614 0.023,615 -0.019,616 -0.012,617 -0.123,618 -0.011,619 -0.065,620 0.002,621 -0.086,622 -0.012,623 0.08,624 -0.061,625 0.008,626 -0.053,627 0.083,628 -0.042,629 3.554,630 8.519,631 0.102,632 1826.86,633 1.013,634 1.15,635 -17.889,636 320.034,637 0.599,638 5.663,639 5.956,640 6.084,641 6.254,642 6.425,643 6.475,644 6.562,645 6.667,646 6.683,647 6.69,648 43.005,649 0.573,650 4044.35,651 5.663,652 7.204,653 8.003,654 8.858,655 9.686,656 10.544,657 11.385,658 12.245,659 13.093,660 13.955,661 8,662 6,667 38,668 1,669 1,670 1,673 7,674 1,675 1,677 2,679 11,686 590,687 58,688 1,689 287,690 592,691 183,692 9,693 1,694 5,696 3,697 3,699 1,701 30,702 9,705 83,706 56,707 127,708 12,709 47,710 46,711 1,712 47,716 305,717 101,718 64,719 102,721 1,722 47,725 1,726 55,727 1,735 1,736 1,740 4,741 34,743 8,744 6,747 9,749 3,752 25,755 285,756 10,757 9,758 59,759 34,762 41,764 2,768 9.3,769 1,770 8,771 46,774 172,775 105.2,776 64.944,777 36.378,778 0.523,779 1.047,780 0.866,781 126.154,782 11.564,783 5.83,784 6.208,785 6.379,786 6.606,787 6.888,788 6.854,789 6.952,790 7.15,791 7.148,792 7.166,793 1,794 430,795 112.322,796 51.994,797 8.31,798 195.403,799 155.936,800 2.81,801 800.833,804 2836.84,805 624.004,806 991.694,808 1540.82,811 624.004,812 4377.65,813 991.694,814 220.63,815 1085.77,816 99.112,817 1721.36,818 39.513,819 13.67,820 2813.29,822 2836.84,823 1615.7,824 1540.82,826 2012.86,827 2322.11,828 42.683,829 1351.34,830 247.569,831 16.786,833 2836.84,834 2532.51,835 624.004,836 2836.84,837 338.327,838 285.677,839 629.151,840 1903.36,841 2836.84,842 2532.51,843 624.004,844 0.573,845 0.307,846 0.155,847 0.092,848 105,849 94,850 0.231,851 137,853 1,854 16.162,855 5188.76,857 29,858 2286.12,860 260.351,861 138.098,862 104.595,864 2515.73,865 10.753,866 4.269,867 2.771,869 0.609,871 1342.27,872 5993.35,873 339.5,874 654.251,875 4.039,876 -58.231,877 597.77,878 678.498,879 0.177,880 0.359,881 0.539,882 0.671,883 0.753,884 0.808,885 7.101,886 2.968,887 8.008,888 9.342,889 6.648,890 6.9,891 5.764,892 8.783,893 6.624,894 8.26,895 2.953,896 9.563,897 9.339,898 6.378,899 6.787,900 5.385,901 9.735,902 6.365,903 9.537,904 2.939,905 11.219,906 9.3,907 8.229,908 8.718,909 6.935,910 12.762,911 8.173,912 10.834,913 2.922,914 12.934,915 9.251,916 8.71,917 9.334,918 7.161,919 14.556,920 8.661,921 12.16,922 2.916,923 14.69,924 9.238,925 10.092,926 10.804,927 8.27,928 17.166,929 10.004,930 13.502,931 2.905,932 16.477,933 9.148,934 10.911,935 11.725,936 8.764,937 19.352,938 10.821,939 14.86,940 2.891,941 18.287,942 9.132,943 12.124,944 13.035,945 9.697,946 21.858,947 12.002,948 3.451,949 2.864,950 20.117,951 9.095,952 13.109,953 14.093,954 10.333,955 24.242,956 12.976,957 3.45,958 13.16,959 21.965,960 8.947,961 14.264,962 15.346,963 11.189,964 26.748,965 14.104,966 3.047,967 13.158,968 23.829,969 3.651,970 15.333,971 16.471,972 11.905,973 29.231,974 15.157,975 3.001,976 9.912,977 25.707,978 3.65,979 16.477,980 17.706,981 12.732,982 31.762,983 16.276,984 2.993,985 9.781,986 27.599,987 3.501,988 17.593,989 18.869,990 13.495,991 34.293,992 17.373,993 2.981,994 9.418,995 29.503,996 3.473,997 18.744,998 20.101,999 14.314,1000 36.844,1001 18.502,1002 2.978,1003 9.39,1004 31.42,1005 3.338,1006 19.89,1007 21.288,1008 15.105,1009 39.399,1010 19.627,1011 5828750,1012 10103800,1013 173.042,1014 353.486,1015 424.698,1016 449.885,1017 443.302,1018 417.451,1019 417.518,1020 475.117,1021 203.689,1022 1155.57,1023 413.261,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 293.324,1034 1.48,1035 1.568,1036 1.545,1037 1.455,1038 1.455,1039 1.655,1040 0.71,1041 4.026,1042 1.44,1043 4.354,1044 4.413,1045 4.235,1046 4.159,1047 7.554,1048 4.167,1049 3.933,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.841,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.764,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.739,1067 3.885,1068 3.932,1069 3.812,1070 3.712,1071 7.472,1072 3.724,1073 3.882,1074 3.93,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.878,1080 3.926,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.868,1086 3.916,1087 3.792,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.348,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.347,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.033,1130 2.03,1131 1.34,1132 2.025,1133 1.833,1134 1.784,1135 2.028,1136 2.028,1137 1.34,1138 2.024,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.015,1148 2.017,1149 1.334,1150 2.011,1151 1.809,1152 1.76,1153 2.014,1154 2.011,1155 1.33,1156 2.005,1157 6.354,1159 7.657,1160 2.398,1161 9.106,1162 4.443,1163 10.631,1164 6.26,1165 12.202,1166 39.34,1169 57.761,1170 91.559,1171 -23.905,1172 83.685,1175 -62.179,1177 -3.888,1178 338.277,1179 959.22,1180 1950.1,1181 2927.41,1182 3642.93,1183 4090.12,1184 4390.37,1185 11276.7,1186 11.041,1187 1677.55,1188 1677.55,1189 29,1190 14.507,1191 5.883,1192 5.741,1193 2619.54,1194 7462,1195 7749,1196 0.16,1197 2130.89,1198 3978.75,1199 5191.13,1200 2609330,1202 215.794,1203 0.757,1204 0.586,1205 215.794,1206 166.904,1207 133.698,1208 0.466,1209 0.336,1210 94.831,1211 127.119,1212 92.42,1213 77.203,1214 133.698,1215 96.392,1216 122.748,1217 0.319,1218 0.195,1219 122.748,1220 74.894,1221 85.616,1222 0.195,1223 0.106,1224 85.616,1225 46.297,1226 64.876,1227 0.125,1228 0.059,1229 64.876,1230 30.498,1231 51.567,1232 0.084,1233 0.031,1234 51.567,1235 19.355,1236 0.269,1237 852.496,1238 0.076,1239 156.466,1240 0.396,1241 1344,1242 4805.25,1243 1549.16,1244 4481.1,1245 5635.71,1246 4090,1247 1495,1248 3723.38,1249 1677.77,1250 3685.31,1251 5285.84,1252 3450,1253 8.886} {0 CHEMBL427807,1 1.666,2 92.124,3 -15.367,4 236.148,5 1163.09,6 7.031,7 0.051,8 6.56,9 6.705,10 6.002,11 5.924,12 7.739,13 5.922,14 7.123,15 7.319,16 6.371,17 6.325,18 8.322,19 6.281,20 7.499,21 7.729,22 6.52,23 6.535,24 8.67,25 6.478,26 7.643,27 7.882,28 6.653,29 6.619,30 8.861,31 6.587,32 7.701,33 7.913,34 6.832,35 6.706,36 9.174,37 6.688,38 7.81,39 8.026,40 6.871,41 6.835,42 9.113,43 6.796,44 7.936,45 8.158,46 6.948,47 6.947,48 9.196,49 6.905,50 8.043,51 8.271,52 7.058,53 7.033,54 9.421,55 6.98,56 2.066,57 9.3,58 152.098,59 53.265,60 354.791,61 78.506,62 6.021,63 13.75,64 281.561,65 89.531,66 980.462,67 137.666,68 11.645,69 16.813,70 435.287,71 113.596,72 1731.73,73 179.62,74 13.383,75 18.268,76 511.678,77 117.874,78 2206.42,79 194.917,80 18.639,81 19.93,82 540.442,83 128.882,84 3391.48,85 207.179,86 18.127,87 22.412,88 598.966,89 153.514,90 2932.78,91 237.85,92 18.284,93 24.913,94 679.384,95 171.378,96 3239.67,97 270.12,98 23.611,99 27.179,100 760.465,101 192.166,102 4253.16,103 306.148,104 13897,105 451,106 0.175,107 0.367,108 0.533,109 0.656,110 0.738,111 0.786,112 5.805,113 0.974,114 -22.2,115 -21.24,116 -19.22,117 30.5,118 27,119 42,120 11,122 10,124 43,127 10,128 2,130 1,134 1,138 51,139 5,140 1,143 17,144 17,145 17,147 6,149 6,150 58,151 6,152 1,153 19,154 16,155 61,156 5,157 46,159 10,160 44,161 3,162 6,163 5,164 1,165 45,166 1,167 41,168 45,169 70,170 3,171 2,172 13,174 4,175 1,177 65,178 3,179 1,180 13,181 12,182 63,183 6,184 3,185 2,187 12,190 47,191 52,192 5,193 4,194 67,195 11,196 68,197 3,198 4,199 26,201 11,203 17,204 58,205 3,206 7,207 63,208 50,209 82,210 2,211 4,212 46,213 4,217 11,218 79,219 4,220 4,221 19,222 21,223 77,224 6,225 14,226 54,227 10,228 5,230 1,231 45,232 80,233 6,234 13,235 78,236 22,237 84,238 4,239 15,240 64,241 10,243 7,244 1,246 17,247 83,248 3,249 16,250 76,251 55,252 94,253 2,254 9,255 76,256 10,258 4,261 1228420,262 209.521,263 209.521,264 209.521,265 209.521,266 209.521,267 197.939,268 225.233,269 124.168,270 211.69,271 163.805,272 163.805,273 163.805,274 163.805,275 163.805,276 144.478,277 212.185,278 58.305,279 166.864,280 7.718,281 5.886,282 4.306,283 3.141,284 2.356,285 1.897,286 6.472,291 61362,292 20.53,294 3089.61,295 3668.13,298 14.49,299 923.413,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 757.5,310 30493,311 4.282,312 3.962,313 6.734,314 4.128,315 3.161,316 3.509,317 2.341,318 10.886,319 3.052,320 4.193,321 3.89,322 6.491,323 4.05,324 3.065,325 3.478,326 2.341,327 10.042,328 3.011,329 4.18,330 3.89,331 6.438,332 4.023,333 3.04,334 3.474,335 2.341,336 9.861,337 2.98,338 4.164,339 3.883,340 6.402,341 4.005,342 3.025,343 3.439,344 2.341,345 9.727,346 2.957,347 4.158,348 3.88,349 6.401,350 3.998,351 3.017,352 3.338,353 2.341,354 9.72,355 2.95,356 4.156,357 3.873,358 6.399,359 3.996,360 3.016,361 3.333,362 2.341,363 9.707,364 2.945,365 4.138,366 3.87,367 6.346,368 3.971,369 2.987,370 3.326,371 2.024,372 9.543,373 2.932,374 4.128,375 3.864,376 6.331,377 3.96,378 2.976,379 3.321,380 2.013,381 9.428,382 2.918,383 4.123,384 3.855,385 6.241,386 3.957,387 2.973,388 3.302,389 2.012,390 9.352,391 2.915,392 4.115,393 3.848,394 6.234,395 3.949,396 2.964,397 3.293,398 2.011,399 9.306,400 2.909,401 4.108,402 3.841,403 6.228,404 3.94,405 2.957,406 3.291,407 2.01,408 9.293,409 2.898,410 4.088,411 3.831,412 6.222,413 3.923,414 2.937,415 3.285,416 2.008,417 9.267,418 2.888,419 4.082,420 3.823,421 6.202,422 3.913,423 2.929,424 3.279,425 2.006,426 9.196,427 2.874,428 4.072,429 3.81,430 6.184,431 3.902,432 2.917,433 3.26,434 2.004,435 9.125,436 2.865,437 4.06,438 3.799,439 6.181,440 3.888,441 2.902,442 3.249,443 2.001,444 9.106,445 2.852,446 148.533,447 0.449,448 10.783,449 0.033,450 310.5,451 0.938,452 100,453 0.302,454 210.5,455 0.636,456 885.624,457 2.676,458 407.067,459 0.609,460 750.83,461 2.268,462 61.462,463 0.186,464 93.513,465 0.283,466 0.28,468 0.383,471 0.841,472 1.622,473 0.918,474 1.338,475 0.708,476 1.147,477 0.529,478 1.468,479 0.851,480 1.372,481 0.514,482 1.214,483 0.967,484 1.075,485 1.038,486 1.094,487 0.999,488 1.084,489 1.18,490 1.065,491 0.984,492 0.946,493 1.141,494 0.905,495 1.001,496 1.109,497 0.963,498 1.017,499 1.008,500 0.979,501 1.098,502 1.008,503 1.053,504 1.04,505 1.147,506 1.038,507 1.188,508 1.109,509 1.055,510 1.067,511 1.177,512 1.03,513 0.93,514 1.097,515 0.974,516 1.086,517 0.921,518 1.048,519 88,520 7.351,521 40.667,522 24.028,523 24.667,524 15.65,525 11.904,526 12.656,527 8.794,528 6.491,529 9309180,530 29448800,531 1.834,532 50.4,533 79,534 73,535 1,536 1,537 86,538 24,539 73,541 2.205,542 1.651,543 6.391,544 66.317,547 1112.92,548 1.666,549 3.498,550 5.078,551 6.243,552 7.027,553 7.487,554 5.888,555 8.141,556 8.34,557 6.651,558 363233,559 15.414,560 35714200,563 6268.31,564 1.585,565 8.246,566 0.263,567 0.009,568 0.09,569 0.048,570 0.043,571 0.023,572 0.017,573 0.016,574 0.011,575 0.008,576 0.528,577 0.17,578 0.38,579 1.774,580 3153.08,581 -0.14,582 -0.095,583 -0.025,584 0.02,585 -0.086,586 0.034,587 0.175,588 -0.16,589 0.061,590 -0.142,591 0.115,592 -0.086,593 -0.027,594 0.044,595 -0.058,596 -0.039,597 -0.098,598 -0.059,599 -0.137,600 -0.023,601 0.024,602 0.049,603 -0.104,604 0.083,605 0.126,606 -0.017,607 0.054,608 0.011,609 0.148,610 0.017,611 -0.021,612 0.093,613 -0.049,614 0.009,615 -0.054,616 -0.027,617 -0.122,618 -0.036,619 -0.053,620 -0.013,621 -0.09,622 -0.013,623 0.096,624 -0.043,625 0.022,626 -0.042,627 0.11,628 -0.03,629 3.656,630 8.443,631 0.066,632 2482.45,633 1.017,634 1.152,635 -26.971,636 727.449,637 0.6,638 5.814,639 6.114,640 6.248,641 6.413,642 6.568,643 6.611,644 6.707,645 6.808,646 6.802,647 6.828,648 50.735,649 0.578,650 4697.04,651 5.814,652 7.359,653 8.162,654 9.017,655 9.846,656 10.701,657 11.542,658 12.399,659 13.247,660 14.105,661 9.4,662 11,667 45,668 1,669 5,670 1,673 12,674 1,675 1,677 3,679 17,686 668,687 73,688 2,689 334,690 671,691 204,692 15,693 2,694 10,696 4,697 4,699 5,701 31,702 3,705 85,706 71,707 133,708 11,709 56,710 51,711 5,712 56,716 337,717 126,718 86,719 127,721 1,722 63,725 1,726 64,727 4,728 3,733 1,735 2,736 2,740 6,741 38,742 1,743 6,744 11,747 13,749 4,752 27,755 331,756 17,757 13,758 52,759 38,762 54,763 1,768 9.6,769 7,770 6,771 51,774 200.5,775 117.667,776 74.944,777 39.261,778 0.659,779 1.059,780 0.864,781 142.227,782 11.759,783 5.99,784 6.386,785 6.571,786 6.804,787 7.081,788 7.014,789 7.147,790 7.37,791 7.353,792 7.393,793 1,794 500,795 130.395,796 60.816,797 8.361,798 224.422,799 178.459,800 2.861,801 946.833,804 2954.55,805 705.585,806 1364.28,808 1837.28,811 705.585,812 4791.82,813 1364.28,814 238.281,815 1365.87,816 402.593,817 1792.83,818 109.841,819 21.267,820 2931,822 2954.55,823 2069.87,824 1837.28,826 2095.26,827 2397.78,828 298.783,829 1716.24,830 336.845,831 16.786,833 2954.55,834 3201.56,835 705.585,836 2954.55,837 354.876,838 353.833,839 701.194,840 2497.24,841 2954.55,842 3201.56,843 705.585,844 0.578,845 0.311,846 0.156,847 0.089,848 126,849 114,850 0.238,851 160,853 1,854 18.325,855 6197.07,857 22,858 2714.7,860 300.076,861 156.884,862 117.467,864 3184.77,865 18.123,866 4.258,867 2.741,869 0.797,871 1815.33,872 6861.69,873 398.5,874 725.152,875 19.523,876 -68.774,877 679.414,878 769.677,879 0.178,880 0.373,881 0.541,882 0.665,883 0.749,884 0.798,885 7.263,886 2.976,887 8.167,888 9.543,889 6.806,890 7.078,891 5.879,892 8.935,893 6.771,894 8.427,895 2.973,896 9.719,897 9.428,898 6.529,899 6.95,900 5.449,901 9.799,902 6.503,903 9.703,904 2.964,905 11.366,906 9.352,907 8.374,908 8.908,909 7.006,910 12.829,911 8.304,912 10.998,913 2.957,914 13.067,915 9.306,916 8.829,917 9.49,918 7.19,919 14.456,920 8.766,921 12.317,922 2.937,923 14.801,924 9.293,925 10.202,926 10.988,927 8.3,928 17.024,929 10.098,930 13.652,931 2.929,932 16.558,933 9.267,934 10.98,935 11.865,936 8.757,937 18.982,938 10.876,939 14.998,940 2.917,941 18.332,942 9.196,943 12.173,944 13.196,945 9.685,946 21.37,947 12.033,948 3.161,949 2.902,950 20.118,951 9.125,952 13.105,953 14.209,954 10.288,955 23.484,956 12.957,957 3.065,958 10.886,959 21.914,960 9.106,961 14.225,962 15.474,963 11.134,964 25.8,965 14.047,966 3.04,967 10.042,968 23.718,969 3.509,970 15.232,971 16.553,972 11.822,973 27.993,974 15.04,975 3.025,976 9.861,977 25.528,978 3.478,979 16.324,980 17.791,981 12.635,982 30.283,983 16.106,984 3.017,985 9.727,986 27.342,987 3.474,988 17.369,989 18.908,990 13.374,991 32.52,992 17.132,993 3.016,994 9.72,995 29.161,996 3.439,997 18.453,998 20.135,999 14.178,1000 34.805,1001 18.191,1002 2.987,1003 9.707,1004 30.984,1005 3.338,1006 19.518,1007 21.275,1008 14.95,1009 37.07,1010 19.234,1011 9290870,1012 16526900,1013 200.795,1014 400.759,1015 497.863,1016 526.731,1017 518.956,1018 488.841,1019 489.155,1020 561.51,1021 235.746,1022 1358.86,1023 481.315,1024 5.281,1025 5.962,1026 6.536,1027 5.196,1028 5.161,1029 6.509,1030 3.925,1031 18.284,1032 5.052,1033 353.254,1034 1.491,1035 1.577,1036 1.554,1037 1.464,1038 1.465,1039 1.681,1040 0.706,1041 4.068,1042 1.441,1043 4.419,1044 4.479,1045 4.299,1046 4.216,1047 7.566,1048 4.226,1049 3.935,1050 3.986,1051 3.869,1052 3.856,1053 7.472,1054 3.849,1055 3.925,1056 3.967,1057 3.853,1058 3.839,1059 7.472,1060 3.834,1061 3.912,1062 3.958,1063 3.841,1064 3.739,1065 7.472,1066 3.759,1067 3.909,1068 3.95,1069 3.838,1070 3.732,1071 7.472,1072 3.75,1073 3.883,1074 3.93,1075 3.809,1076 3.712,1077 7.472,1078 3.723,1079 3.879,1080 3.924,1081 3.806,1082 3.703,1083 7.464,1084 3.717,1085 3.877,1086 3.923,1087 3.804,1088 3.694,1089 7.435,1090 3.71,1091 0.013,1092 0.012,1093 0.02,1094 0.012,1095 0.009,1096 4.282,1097 0.011,1098 3.962,1099 0.007,1100 6.734,1101 0.033,1102 4.128,1103 0.009,1104 3.161,1105 3.509,1106 2.341,1107 10.886,1108 3.052,1109 1.927,1110 1.897,1111 2.058,1112 2.045,1113 1.34,1114 2.045,1115 1.927,1116 1.897,1117 2.057,1118 2.041,1119 1.331,1120 2.041,1121 1.833,1122 1.786,1123 2.029,1124 2.032,1125 1.329,1126 2.024,1127 1.832,1128 1.783,1129 2.027,1130 2.026,1131 1.324,1132 2.016,1133 1.825,1134 1.776,1135 2.026,1136 2.023,1137 1.316,1138 2.016,1139 1.823,1140 1.775,1141 2.019,1142 2.021,1143 1.315,1144 2.014,1145 1.81,1146 1.763,1147 2.015,1148 2.018,1149 1.313,1150 2.009,1151 1.806,1152 1.757,1153 2.014,1154 2.011,1155 1.309,1156 2.002,1157 6.506,1159 7.813,1160 3.045,1161 9.266,1162 5.209,1163 10.79,1164 7.14,1165 12.358,1166 39.633,1169 95.358,1170 137.259,1171 -29.629,1172 90.171,1175 -88.72,1176 0.94,1178 386.267,1179 1112.92,1180 2336.48,1181 3392.18,1182 4170.25,1183 4694.3,1184 5001.34,1185 11990.2,1186 11.1,1187 2126.76,1188 2126.76,1189 22,1190 14.66,1191 6.209,1192 6.033,1193 2764.16,1194 10289,1195 10975,1196 0.122,1197 2434.48,1198 4542.22,1199 5931.89,1200 2978410,1202 250.893,1203 0.758,1204 0.575,1205 250.893,1206 190.455,1207 154.975,1208 0.464,1209 0.325,1210 106.483,1211 146.889,1212 103.91,1213 86.561,1214 154.975,1215 108.426,1216 143.481,1217 0.318,1218 0.186,1219 143.481,1220 83.931,1221 100.579,1222 0.195,1223 0.1,1224 100.579,1225 51.737,1226 76.406,1227 0.125,1228 0.055,1229 76.406,1230 33.444,1231 59.548,1232 0.084,1233 0.03,1234 59.548,1235 21.172,1236 0.207,1237 991.502,1238 0.071,1239 174.353,1240 0.299,1241 1570,1242 5729.26,1243 1819.13,1244 5350.1,1245 6737.2,1246 4886,1247 1752,1248 4454.49,1249 1976.44,1250 4413.4,1251 6334.08,1252 4131,1253 8.444} {0 CHEMBL428636,1 1.627,2 77.297,3 -5.84,4 34.102,5 1016.04,6 6.851,7 0.038,8 6.43,9 6.575,10 5.85,11 5.809,12 7.58,13 5.794,14 7.005,15 7.206,16 6.213,17 6.211,18 8.18,19 6.152,20 7.388,21 7.625,22 6.361,23 6.424,24 8.509,25 6.35,26 7.531,27 7.777,28 6.501,29 6.512,30 8.679,31 6.466,32 7.588,33 7.803,34 6.705,35 6.603,36 9.022,37 6.577,38 7.711,39 7.931,40 6.754,41 6.732,42 9.025,43 6.688,44 7.826,45 8.05,46 6.815,47 6.852,48 9.066,49 6.799,50 7.942,51 8.171,52 6.932,53 6.956,54 9.263,55 6.889,56 1.472,57 8.152,58 137.183,59 49.726,60 267.12,61 72.525,62 4.92,63 12.185,64 254.058,65 82.156,66 859.342,67 126.36,68 9.302,69 15.073,70 390.723,71 105.241,72 1437.08,73 166.003,74 10.358,75 16.528,76 456.932,77 108.702,78 1752.88,79 179.146,80 15.124,81 18.089,82 484.543,83 118.144,84 2756.02,85 189.869,86 16.035,87 20.378,88 547.487,89 139.921,90 2645.09,91 217.956,92 15.127,93 22.783,94 610.019,95 157.929,96 2808.8,97 247.857,98 18.821,99 25.223,100 685.127,101 181.312,102 3486.75,103 286.155,104 10850,105 384,106 0.174,107 0.356,108 0.53,109 0.654,110 0.73,111 0.782,112 5.66,113 1.008,114 -13.29,115 -12.78,116 -11.64,117 30.9,118 25,119 52,120 10,122 7,124 31,125 2,127 5,128 1,130 1,134 1,138 46,139 1,140 1,143 11,144 11,145 11,147 9,149 9,150 59,151 9,153 15,154 6,155 49,156 1,157 52,159 2,160 44,161 7,162 8,163 1,165 43,167 33,168 34,169 77,170 2,171 1,172 11,174 7,177 63,178 2,180 6,181 5,182 61,183 9,184 2,185 6,187 9,190 38,191 55,192 9,193 3,194 52,195 13,196 64,197 7,198 3,199 34,200 1,201 3,203 14,204 62,205 7,206 3,207 54,208 47,209 69,210 1,211 7,212 57,213 4,215 2,217 9,218 75,219 2,220 6,221 19,222 11,223 63,224 9,225 9,226 74,227 17,228 5,231 37,232 80,233 8,234 10,235 58,236 15,237 88,238 7,239 5,240 74,241 20,243 6,246 14,247 88,248 8,249 7,250 56,251 47,252 102,253 2,254 9,255 81,256 10,257 1,258 14,259 1,260 1,261 803026,262 181.648,263 181.648,264 181.648,265 181.648,266 181.648,267 172.875,268 185.474,269 109.178,270 182.937,271 140.809,272 140.809,273 140.809,274 140.809,275 140.809,276 125.672,277 171.529,278 51.33,279 142.542,280 7.585,281 5.889,282 4.261,283 3.108,284 2.392,285 1.91,286 6.325,291 44198,292 19.235,294 1328.03,295 1579.83,298 12.554,299 790.289,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 651.5,310 22107,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.146,339 3.882,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.977,351 2.993,352 3.338,353 2.341,354 9.418,355 2.936,356 4.138,357 3.866,358 6.254,359 3.964,360 2.981,361 3.318,362 2.341,363 9.39,364 2.923,365 4.132,366 3.863,367 6.242,368 3.961,369 2.978,370 3.309,371 2.341,372 9.342,373 2.919,374 4.121,375 3.857,376 6.239,377 3.953,378 2.968,379 3.298,380 2.341,381 9.339,382 2.913,383 4.107,384 3.847,385 6.227,386 3.937,387 2.953,388 3.289,389 2.341,390 9.3,391 2.898,392 4.091,393 3.832,394 6.216,395 3.924,396 2.939,397 3.282,398 2.013,399 9.251,400 2.886,401 4.083,402 3.821,403 6.212,404 3.908,405 2.922,406 3.275,407 2.012,408 9.238,409 2.872,410 4.076,411 3.816,412 6.182,413 3.902,414 2.916,415 3.254,416 2.011,417 9.148,418 2.867,419 4.058,420 3.806,421 6.178,422 3.893,423 2.905,424 3.241,425 2.009,426 9.132,427 2.863,428 4.029,429 3.788,430 6.168,431 3.88,432 2.891,433 3.222,434 2.007,435 9.095,436 2.849,437 4.009,438 3.77,439 6.127,440 3.852,441 2.864,442 3.195,443 2.005,444 8.947,445 2.819,446 128.967,447 0.451,448 9.012,449 0.032,450 258.75,451 0.905,452 80.5,453 0.281,454 178.25,455 0.623,456 769.323,457 2.69,458 354.033,459 0.597,460 601.259,461 2.102,462 49.255,463 0.172,464 84.819,465 0.297,466 0.276,467 0.008,468 0.349,471 0.802,472 1.61,473 0.935,474 1.367,475 0.671,476 1.186,477 0.478,478 1.501,479 0.86,480 1.386,481 0.472,482 1.234,483 0.925,484 1.087,485 1.014,486 1.092,487 0.953,488 1.075,489 1.17,490 1.06,491 0.97,492 0.927,493 1.121,494 0.889,495 0.992,496 1.147,497 0.958,498 1.033,499 0.996,500 0.986,501 1.093,502 0.997,503 1.051,504 1.009,505 1.123,506 1.016,507 1.186,508 1.101,509 1.074,510 1.052,511 1.171,512 1.033,513 0.918,514 1.141,515 0.987,516 1.116,517 0.923,518 1.075,519 76.5,520 6.064,521 34.667,522 20.285,523 21.866,524 14.285,525 10.239,526 10.69,527 8.098,528 5.697,529 5843300,530 17675600,531 1.827,532 51.8,533 90,534 50,535 1,536 1,537 66,538 29,539 70,541 2.183,542 1.648,543 6.153,544 49.141,547 964.536,548 1.627,549 3.323,550 4.951,551 6.103,552 6.82,553 7.302,554 5.659,555 7.901,556 8.13,557 6.41,558 261245,559 15,560 22151100,563 5462.65,564 1.632,565 8.036,566 0.267,567 0.008,568 0.09,569 0.048,570 0.044,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.531,577 0.17,578 0.38,579 4.145,580 2637.42,581 -0.117,582 -0.079,583 -0.022,584 0.011,585 -0.065,586 0.023,587 0.199,588 -0.196,589 0.06,590 -0.152,591 0.137,592 -0.094,593 -0.014,594 0.025,595 -0.034,596 -0.036,597 -0.082,598 -0.045,599 -0.15,600 -0.014,601 0.037,602 0.065,603 -0.12,604 0.1,605 0.125,606 -0.037,607 0.065,608 -0.002,609 0.135,610 0.016,611 0.006,612 0.107,613 -0.032,614 0.024,615 -0.017,616 -0.012,617 -0.123,618 -0.01,619 -0.067,620 0.001,621 -0.084,622 -0.013,623 0.08,624 -0.061,625 0.006,626 -0.056,627 0.084,628 -0.045,629 3.627,630 8.517,631 0.038,632 1836.52,633 1.013,634 1.15,635 -18.06,636 326.148,637 0.598,638 5.663,639 5.953,640 6.078,641 6.246,642 6.417,643 6.465,644 6.547,645 6.645,646 6.653,647 6.65,648 43.167,649 0.573,650 4062.37,651 5.663,652 7.203,653 8,654 8.854,655 9.681,656 10.539,657 11.38,658 12.239,659 13.088,660 13.949,661 7.9,662 7,667 37,668 1,669 1,670 1,673 7,674 1,675 1,677 2,679 11,686 593,687 58,688 1,689 287,690 594,691 183,692 9,693 1,694 5,696 2,697 2,699 1,701 31,705 83,706 56,707 127,708 12,709 47,710 46,711 1,712 47,716 307,717 102,718 66,719 103,721 1,722 47,725 1,726 56,727 1,735 1,736 1,740 4,741 33,743 9,744 7,747 10,749 2,752 25,755 286,756 11,757 10,758 59,759 33,762 41,764 2,768 9.4,769 1,770 9,771 46,774 173.5,775 105.483,776 65.361,777 36.407,778 0.544,779 1.051,780 0.863,781 129.242,782 11.227,783 5.83,784 6.206,785 6.372,786 6.599,787 6.882,788 6.845,789 6.94,790 7.132,791 7.122,792 7.134,793 1,794 427,795 112.702,796 52.113,797 8.326,798 195.679,799 155.655,800 2.826,801 808.333,804 2836.84,805 620.21,806 1006.58,808 1583.5,811 620.21,812 4420.34,813 1006.58,814 220.63,815 1100.65,816 99.112,817 1760.25,818 39.513,819 13.67,820 2813.29,822 2836.84,823 1626.79,824 1583.5,826 2012.86,827 2364.79,828 42.683,829 1366.23,830 243.774,831 16.786,833 2836.84,834 2590.08,835 620.21,836 2836.84,837 334.532,838 285.677,839 611.14,840 1978.94,841 2836.84,842 2590.08,843 620.21,844 0.572,845 0.305,846 0.155,847 0.092,848 102,849 94,850 0.253,851 150,853 1,854 16.225,855 5170.96,857 11,858 2296.97,860 263.264,861 140.404,862 107.293,864 2573.29,865 10.745,866 4.268,867 2.77,869 0.606,871 1399.84,872 6047.13,873 339.5,874 651.661,875 4.037,876 -59.683,877 600.981,878 682.122,879 0.177,880 0.361,881 0.537,882 0.663,883 0.74,884 0.793,885 7.099,886 2.968,887 8.005,888 9.342,889 6.645,890 6.898,891 5.771,892 8.779,893 6.621,894 8.258,895 2.953,896 9.559,897 9.339,898 6.378,899 6.787,900 5.405,901 9.733,902 6.363,903 9.535,904 2.939,905 11.215,906 9.3,907 8.225,908 8.715,909 6.954,910 12.759,911 8.169,912 10.832,913 2.922,914 12.931,915 9.251,916 8.708,917 9.333,918 7.192,919 14.554,920 8.658,921 12.157,922 2.916,923 14.687,924 9.238,925 10.088,926 10.801,927 8.302,928 17.165,929 10,930 13.5,931 2.905,932 16.474,933 9.148,934 10.909,935 11.722,936 8.806,937 19.352,938 10.818,939 14.857,940 2.891,941 18.284,942 9.132,943 12.121,944 13.032,945 9.742,946 21.857,947 11.998,948 3.451,949 2.864,950 20.115,951 9.095,952 13.107,953 14.09,954 10.388,955 24.242,956 12.973,957 3.45,958 13.16,959 21.963,960 8.947,961 14.262,962 15.343,963 11.248,964 26.748,965 14.101,966 3.047,967 13.158,968 23.827,969 3.651,970 15.332,971 16.469,972 11.972,973 29.231,974 15.155,975 3.001,976 9.912,977 25.706,978 3.65,979 16.476,980 17.704,981 12.803,982 31.762,983 16.274,984 2.993,985 9.781,986 27.598,987 3.501,988 17.592,989 18.867,990 13.573,991 34.293,992 17.372,993 2.981,994 9.418,995 29.503,996 3.473,997 18.743,998 20.1,999 14.396,1000 36.844,1001 18.5,1002 2.978,1003 9.39,1004 31.419,1005 3.338,1006 19.89,1007 21.287,1008 15.193,1009 39.399,1010 19.626,1011 5877000,1012 10224100,1013 172.349,1014 354.702,1015 424.194,1016 448.97,1017 443.269,1018 416.994,1019 417.025,1020 474.671,1021 204.259,1022 1152.09,1023 412.699,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 297.305,1034 1.478,1035 1.564,1036 1.544,1037 1.453,1038 1.453,1039 1.654,1040 0.712,1041 4.014,1042 1.438,1043 4.354,1044 4.413,1045 4.235,1046 4.158,1047 7.556,1048 4.167,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.811,1070 3.711,1071 7.472,1072 3.723,1073 3.881,1074 3.929,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.925,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.868,1086 3.916,1087 3.792,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.342,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.029,1131 1.34,1132 2.025,1133 1.832,1134 1.783,1135 2.028,1136 2.026,1137 1.34,1138 2.022,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.017,1149 1.334,1150 2.011,1151 1.804,1152 1.755,1153 2.014,1154 2.009,1155 1.33,1156 2,1157 6.354,1159 7.655,1160 2.398,1161 9.103,1162 4.443,1163 10.626,1164 6.26,1165 12.197,1166 39.19,1169 63.524,1170 101.441,1171 -24.145,1172 80.518,1175 -62.705,1177 -3.894,1178 339.519,1179 964.536,1180 1970.64,1181 2935.85,1182 3619.32,1183 4044.03,1184 4329.83,1185 15021.8,1186 10.683,1187 1711.77,1188 1711.77,1189 11,1190 14.501,1191 5.883,1192 5.741,1193 3489.65,1194 7519,1195 7744,1196 0.211,1197 2142.28,1198 3999.9,1199 5218.92,1200 1594190,1202 217.086,1203 0.759,1204 0.585,1205 217.086,1206 167.429,1207 134.074,1208 0.467,1209 0.336,1210 94.851,1211 127.442,1212 92.435,1213 77.254,1214 134.074,1215 96.421,1216 122.894,1217 0.32,1218 0.195,1219 122.894,1220 74.727,1221 85.107,1222 0.196,1223 0.106,1224 85.107,1225 45.989,1226 64.36,1227 0.125,1228 0.059,1229 64.36,1230 30.193,1231 51.138,1232 0.084,1233 0.031,1234 51.138,1235 19.083,1236 0.355,1237 855.23,1238 0.076,1239 156.874,1240 0.523,1241 1342,1242 4830.37,1243 1548.35,1244 4503.87,1245 5654.49,1246 4108,1247 1490,1248 3727.15,1249 1672.77,1250 3688.89,1251 5287.24,1252 3452,1253 9.036} {0 CHEMBL429407,1 1.635,2 78.792,3 -7.839,4 61.453,5 1041.27,6 6.872,7 0.037,8 6.452,9 6.599,10 5.878,11 5.829,12 7.601,13 5.817,14 7.027,15 7.229,16 6.242,17 6.232,18 8.194,19 6.175,20 7.409,21 7.646,22 6.395,23 6.447,24 8.539,25 6.377,26 7.556,27 7.802,28 6.532,29 6.54,30 8.708,31 6.495,32 7.618,33 7.834,34 6.737,35 6.635,36 9.05,37 6.608,38 7.743,39 7.965,40 6.787,41 6.765,42 9.046,43 6.72,44 7.86,45 8.085,46 6.856,47 6.885,48 9.095,49 6.834,50 7.975,51 8.204,52 6.982,53 6.993,54 9.3,55 6.93,56 1.515,57 8.386,58 139.795,59 49.977,60 263.875,61 73.531,62 4.99,63 12.49,64 259.278,65 83.049,66 835.762,67 128.377,68 9.594,69 15.43,70 398.981,71 106.355,72 1447.43,73 168.545,74 10.649,75 16.955,76 468.538,77 110.743,78 1776.14,79 182.978,80 15.563,81 18.642,82 498.494,83 121.474,84 2827.11,85 195.53,86 16.377,87 21.052,88 564.437,89 143.88,90 2653.78,91 224.816,92 15.605,93 23.565,94 631.07,95 162.12,96 2824.95,97 255.646,98 19.596,99 26.217,100 708.068,101 185.838,102 3579.19,103 294.562,104 10709,105 396,106 0.174,107 0.357,108 0.535,109 0.666,110 0.747,111 0.799,112 5.684,113 1.002,114 -13.79,115 -13.25,116 -12.07,117 30.7,118 26,119 51,120 10,122 7,124 32,125 2,127 5,128 1,130 1,134 1,138 47,139 2,140 1,143 12,144 12,145 12,147 7,148 1,149 7,150 58,151 7,153 16,154 8,155 52,156 2,157 52,159 4,160 43,161 5,162 7,163 2,165 45,167 36,168 35,169 79,170 2,171 1,172 11,174 7,177 64,178 2,180 6,181 5,182 62,183 7,184 1,185 6,187 10,190 40,191 56,192 7,193 2,194 54,195 14,196 66,197 5,198 3,199 36,200 1,201 5,203 15,204 63,205 5,206 3,207 57,208 49,209 70,210 1,211 7,212 58,213 4,215 2,217 10,218 76,219 2,220 6,221 21,222 13,223 63,224 7,225 9,226 73,227 13,228 3,231 39,232 81,233 6,234 10,235 64,236 18,237 92,238 5,239 7,240 74,241 19,243 7,246 17,247 93,248 5,249 8,250 62,251 48,252 104,253 1,254 8,255 79,256 10,258 13,261 854709,262 186.157,263 186.157,264 186.157,265 186.157,266 186.157,267 176.969,268 194.695,269 111.519,270 187.617,271 144.744,272 144.744,273 144.744,274 144.744,275 144.744,276 128.891,277 182.265,278 52.487,279 146.668,280 7.606,281 5.899,282 4.229,283 3.004,284 2.244,285 1.758,286 6.35,291 46309,292 18.748,294 1345.59,295 1601.78,298 12.879,299 804.333,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 667,310 23086,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.144,339 3.882,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.976,351 2.992,352 3.338,353 2.341,354 9.418,355 2.935,356 4.139,357 3.866,358 6.252,359 3.966,360 2.982,361 3.317,362 2.341,363 9.384,364 2.924,365 4.133,366 3.864,367 6.244,368 3.961,369 2.978,370 3.309,371 2.341,372 9.344,373 2.919,374 4.12,375 3.857,376 6.239,377 3.95,378 2.965,379 3.299,380 2.013,381 9.342,382 2.911,383 4.111,384 3.85,385 6.223,386 3.942,387 2.957,388 3.288,389 2.012,390 9.277,391 2.903,392 4.093,393 3.836,394 6.218,395 3.925,396 2.94,397 3.282,398 2.011,399 9.269,400 2.887,401 4.085,402 3.823,403 6.212,404 3.912,405 2.926,406 3.279,407 2.01,408 9.238,409 2.875,410 4.078,411 3.817,412 6.189,413 3.902,414 2.916,415 3.258,416 2.008,417 9.155,418 2.867,419 4.062,420 3.81,421 6.178,422 3.896,423 2.908,424 3.243,425 2.005,426 9.148,427 2.867,428 4.039,429 3.795,430 6.161,431 3.88,432 2.891,433 3.227,434 2.003,435 9.073,436 2.849,437 4.012,438 3.776,439 6.143,440 3.864,441 2.876,442 3.204,443 2,444 8.999,445 2.831,446 132.133,447 0.451,448 9.276,449 0.032,450 267.25,451 0.912,452 83.5,453 0.285,454 183.75,455 0.627,456 792.915,457 2.706,458 361.667,459 0.598,460 624.822,461 2.132,462 51.045,463 0.174,464 86.351,465 0.295,466 0.273,467 0.008,468 0.352,471 0.799,472 1.615,473 0.93,474 1.363,475 0.663,476 1.18,477 0.486,478 1.492,479 0.857,480 1.381,481 0.479,482 1.227,483 0.939,484 1.084,485 1.02,486 1.092,487 0.965,488 1.076,489 1.197,490 1.058,491 0.981,492 0.931,493 1.146,494 0.894,495 0.995,496 1.141,497 0.957,498 1.037,499 1,500 0.988,501 1.099,502 0.995,503 1.051,504 1.013,505 1.133,506 1.018,507 1.194,508 1.098,509 1.065,510 1.047,511 1.182,512 1.024,513 0.923,514 1.141,515 0.984,516 1.114,517 0.928,518 1.071,519 78.5,520 6.302,521 36,522 20.785,523 22.506,524 14.563,525 10.525,526 11.096,527 8.493,528 5.999,529 6280620,530 18929700,531 1.834,532 51.6,533 88,534 51,535 1,536 1,537 69,538 29,539 73,541 2.186,542 1.655,543 6.175,544 51.694,547 988.952,548 1.635,549 3.342,550 5.012,551 6.237,552 6.997,553 7.483,554 5.681,555 7.963,556 8.164,557 6.437,558 275353,559 15.068,560 23751800,563 5590.68,564 1.631,565 8.072,566 0.266,567 0.008,568 0.091,569 0.047,570 0.044,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.53,577 0.17,578 0.38,579 2.383,580 2713.98,581 -0.116,582 -0.082,583 -0.019,584 0.008,585 -0.065,586 0.024,587 0.197,588 -0.188,589 0.064,590 -0.15,591 0.13,592 -0.09,593 -0.014,594 0.029,595 -0.037,596 -0.036,597 -0.082,598 -0.047,599 -0.16,600 -0.014,601 0.028,602 0.063,603 -0.126,604 0.096,605 0.131,606 -0.035,607 0.065,608 -0.003,609 0.141,610 0.015,611 0.004,612 0.106,613 -0.033,614 0.022,615 -0.023,616 -0.013,617 -0.122,618 -0.011,619 -0.057,620 0.006,621 -0.086,622 -0.005,623 0.087,624 -0.059,625 0.011,626 -0.053,627 0.09,628 -0.042,629 3.568,630 8.524,631 0.096,632 1937.17,633 1.013,634 1.151,635 -18.561,636 344.529,637 0.599,638 5.69,639 5.984,640 6.111,641 6.277,642 6.449,643 6.498,644 6.589,645 6.696,646 6.714,647 6.724,648 43.952,649 0.573,650 4157.5,651 5.69,652 7.232,653 8.031,654 8.886,655 9.713,656 10.57,657 11.411,658 12.27,659 13.118,660 13.979,661 8.6,662 8,667 40,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 605,687 60,688 1,689 295,690 607,691 186,692 9,693 1,694 5,696 3,697 3,699 2,701 31,702 7,705 83,706 58,707 128,708 12,709 49,710 47,711 2,712 49,716 312,717 106,718 69,719 107,721 1,722 52,724 1,725 1,726 55,727 1,735 1,736 1,740 4,741 34,743 7,744 8,747 8,749 3,752 26,755 293,756 12,757 8,758 58,759 36,762 42,764 2,768 9.1,769 1,770 7,771 47,774 177,775 107.867,776 66.722,777 36.999,778 0.536,779 1.048,780 0.869,781 129.414,782 11.65,783 5.859,784 6.24,785 6.41,786 6.631,787 6.915,788 6.879,789 6.984,790 7.186,791 7.185,792 7.203,793 1,794 442,795 115.41,796 53.389,797 8.309,798 200.521,799 159.634,800 2.809,801 823,804 2860.38,805 640.694,806 1110.05,808 1523.28,811 640.694,812 4383.66,813 1110.05,814 229.455,815 1184.8,816 99.112,817 1712.32,818 56.299,819 15.569,820 2836.84,822 2860.38,823 1750.74,824 1523.28,826 2001.09,827 2339.89,828 42.683,829 1475.99,830 257.968,831 16.786,833 2860.38,834 2633.33,835 640.694,836 2860.38,837 346.191,838 294.503,839 664.928,840 1968.4,841 2860.38,842 2633.33,843 640.694,844 0.574,845 0.307,846 0.154,847 0.091,848 108,849 97,850 0.232,851 141,853 1,854 16.474,855 5379.8,857 28,858 2355.06,860 267.582,861 141.707,862 107.59,864 2616.54,865 10.747,866 4.269,867 2.771,869 0.606,871 1401.16,872 6134.4,873 349.5,874 671.053,875 7.959,876 -60.092,877 613.163,878 696.405,879 0.177,880 0.362,881 0.542,882 0.675,883 0.757,884 0.81,885 7.13,886 2.965,887 8.036,888 9.344,889 6.676,890 6.932,891 5.782,892 8.81,893 6.65,894 8.291,895 2.957,896 9.591,897 9.342,898 6.409,899 6.82,900 5.386,901 9.758,902 6.393,903 9.568,904 2.94,905 11.246,906 9.277,907 8.257,908 8.754,909 6.937,910 12.784,911 8.199,912 10.866,913 2.926,914 12.961,915 9.269,916 8.737,917 9.368,918 7.146,919 14.571,920 8.688,921 12.192,922 2.916,923 14.716,924 9.238,925 10.118,926 10.84,927 8.254,928 17.18,929 10.028,930 13.535,931 2.908,932 16.5,933 9.155,934 10.935,935 11.758,936 8.733,937 19.361,938 10.845,939 14.891,940 2.891,941 18.309,942 9.148,943 12.147,944 13.068,945 9.663,946 21.866,947 12.024,948 3.451,949 2.876,950 20.137,951 9.073,952 13.129,953 14.123,954 10.286,955 24.247,956 12.997,957 3.45,958 13.16,959 21.983,960 8.999,961 14.283,962 15.376,963 11.138,964 26.752,965 14.123,966 3.047,967 13.158,968 23.845,969 3.651,970 15.35,971 16.499,972 11.843,973 29.234,974 15.174,975 3.001,976 9.912,977 25.721,978 3.65,979 16.493,980 17.733,981 12.664,982 31.764,983 16.292,984 2.992,985 9.781,986 27.612,987 3.501,988 17.607,989 18.893,990 13.418,991 34.295,992 17.388,993 2.982,994 9.418,995 29.514,996 3.473,997 18.757,998 20.124,999 14.231,1000 36.845,1001 18.514,1002 2.978,1003 9.384,1004 31.429,1005 3.338,1006 19.901,1007 21.309,1008 15.016,1009 39.4,1010 19.639,1011 6294980,1012 10931300,1013 177.724,1014 362.276,1015 436.905,1016 462.717,1017 455.87,1018 429.328,1019 429.384,1020 489.352,1021 209.471,1022 1188.78,1023 424.717,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 303.231,1034 1.481,1035 1.569,1036 1.545,1037 1.455,1038 1.456,1039 1.659,1040 0.71,1041 4.03,1042 1.44,1043 4.365,1044 4.425,1045 4.246,1046 4.167,1047 7.555,1048 4.176,1049 3.933,1050 3.986,1051 3.867,1052 3.846,1053 7.472,1054 3.841,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.764,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.739,1067 3.885,1068 3.932,1069 3.812,1070 3.711,1071 7.472,1072 3.723,1073 3.881,1074 3.929,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.925,1081 3.803,1082 3.703,1083 7.472,1084 3.716,1085 3.87,1086 3.918,1087 3.794,1088 3.693,1089 7.462,1090 3.706,1091 0.015,1092 0.014,1093 0.025,1094 0.015,1095 0.012,1096 4.526,1097 0.012,1098 4.079,1099 0.008,1100 7.463,1101 0.045,1102 4.434,1103 0.011,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.341,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.03,1131 1.34,1132 2.025,1133 1.831,1134 1.782,1135 2.028,1136 2.025,1137 1.338,1138 2.021,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.335,1144 2.017,1145 1.817,1146 1.768,1147 2.014,1148 2.018,1149 1.334,1150 2.011,1151 1.804,1152 1.756,1153 2.012,1154 2.008,1155 1.33,1156 2,1157 6.382,1159 7.685,1160 2.398,1161 9.134,1162 4.443,1163 10.658,1164 6.26,1165 12.228,1166 40.323,1169 69.043,1170 81.61,1171 -24.414,1172 87.33,1175 -64.309,1177 -3.897,1178 346.911,1179 988.952,1180 2021.75,1181 3032.06,1182 3773.43,1183 4233.16,1184 4527.06,1185 11850.7,1186 11.113,1187 1762.85,1188 1762.85,1189 28,1190 14.532,1191 5.931,1192 5.794,1193 2753.65,1194 7843,1195 8040,1196 0.16,1197 2187.78,1198 4080.37,1199 5329.95,1200 2877930,1202 221.94,1203 0.757,1204 0.585,1205 221.94,1206 171.338,1207 137.396,1208 0.466,1209 0.334,1210 96.913,1211 130.547,1212 94.433,1213 78.906,1214 137.396,1215 98.541,1216 126.267,1217 0.319,1218 0.193,1219 126.267,1220 76.43,1221 88.249,1222 0.196,1223 0.105,1224 88.249,1225 47.111,1226 66.408,1227 0.125,1228 0.058,1229 66.408,1230 30.872,1231 52.867,1232 0.084,1233 0.031,1234 52.867,1235 19.594,1236 0.269,1237 876.58,1238 0.075,1239 159.49,1240 0.395,1241 1382,1242 4943.77,1243 1594.88,1244 4616.32,1245 5813.72,1246 4214,1247 1537,1248 3853.66,1249 1727.54,1250 3815.34,1251 5469.15,1252 3571,1253 8.921} {0 CHEMBL429560,1 1.648,2 92.347,3 -12.291,4 151.061,5 1148.65,6 6.871,8 6.557,9 6.704,10 5.983,11 5.928,12 7.704,13 5.913,14 7.136,15 7.338,16 6.343,17 6.332,18 8.298,19 6.273,20 7.516,21 7.753,22 6.5,23 6.544,24 8.65,25 6.473,26 7.654,27 7.897,28 6.637,29 6.628,30 8.826,31 6.586,32 7.714,33 7.933,34 6.82,35 6.712,36 9.154,37 6.685,38 7.813,39 8.032,40 6.86,41 6.838,42 9.119,43 6.792,44 7.939,45 8.165,46 6.926,47 6.955,48 9.172,49 6.9,50 8.051,51 8.283,52 7.033,53 7.044,54 9.388,55 6.976,56 1.75,57 9.248,58 156.943,59 55.75,60 317.506,61 81.855,62 5.691,63 13.736,64 294.49,65 92.689,66 956.088,67 142.867,68 11.037,69 16.858,70 447.74,71 117.978,72 1679.32,73 186.826,74 12.162,75 18.389,76 519.873,77 120.499,78 2045.82,79 200.093,80 17.936,81 19.998,82 556.014,83 130.924,84 3260.43,85 212.301,86 17.917,87 22.431,88 609.143,89 156.064,90 2951.42,91 242.144,92 17.052,93 25.023,94 688.136,95 175.365,96 3116.38,97 276.757,98 22.248,99 27.29,100 777.179,101 198.021,102 4087.16,103 314.304,104 14253,105 434,106 0.173,107 0.337,108 0.519,109 0.647,110 0.728,111 0.776,112 5.781,113 1.02,114 -18.99,115 -18.19,116 -16.49,117 30.1,118 27,119 55,120 12,121 1,122 12,124 40,138 53,139 2,143 16,144 16,145 16,147 7,149 7,150 57,151 7,152 2,153 19,154 11,155 55,156 2,157 52,159 4,160 36,161 5,162 11,163 2,164 3,165 48,166 1,167 40,168 40,169 81,170 2,171 2,172 5,174 10,177 73,178 2,180 7,181 7,182 66,183 7,184 2,187 10,190 45,191 59,192 7,193 4,194 59,195 13,196 62,197 5,198 7,199 32,201 5,202 1,203 17,204 62,205 5,206 8,207 65,208 51,209 70,210 2,211 9,212 57,213 3,217 10,218 79,219 2,220 7,221 19,222 15,223 70,224 8,225 11,226 66,227 15,228 5,231 43,232 82,233 7,234 11,235 67,236 17,237 88,238 5,239 9,240 68,241 18,243 9,246 19,247 88,248 5,249 15,250 70,251 50,252 100,253 2,254 10,255 76,256 13,258 14,260 1,261 1188470,262 205.082,263 205.082,264 205.082,265 205.082,266 205.082,267 196.377,268 219.042,269 122.337,270 206.96,271 158.645,272 158.645,273 158.645,274 158.645,275 158.645,276 143.035,277 204.544,278 57.17,279 161.092,280 7.744,281 6.186,282 4.456,283 3.242,284 2.468,285 2.012,286 6.445,291 59668,292 20.445,294 2926.47,298 14.984,299 905.454,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 737.5,310 29828,311 4.334,312 4.093,313 6.84,314 4.186,315 3.222,316 3.486,317 2.95,318 11.262,319 3.101,320 4.178,321 3.992,322 6.482,323 4.031,324 3.047,325 3.338,326 2.341,327 10.014,328 2.992,329 4.174,330 3.886,331 6.451,332 4.025,333 3.042,334 3.334,335 2.341,336 9.912,337 2.984,338 4.169,339 3.885,340 6.445,341 4.018,342 3.038,343 3.329,344 2.341,345 9.854,346 2.971,347 4.144,348 3.884,349 6.436,350 3.987,351 3.002,352 3.313,353 2.341,354 9.842,355 2.95,356 4.141,357 3.878,358 6.418,359 3.98,360 2.998,361 3.311,362 2.341,363 9.781,364 2.938,365 4.137,366 3.873,367 6.368,368 3.974,369 2.989,370 3.306,371 2.341,372 9.587,373 2.933,374 4.131,375 3.869,376 6.281,377 3.969,378 2.986,379 3.296,380 2.341,381 9.391,382 2.929,383 4.124,384 3.86,385 6.252,386 3.964,387 2.98,388 3.285,389 2.038,390 9.38,391 2.922,392 4.113,393 3.853,394 6.248,395 3.946,396 2.961,397 3.278,398 2.013,399 9.339,400 2.907,401 4.105,402 3.845,403 6.242,404 3.939,405 2.955,406 3.27,407 2.012,408 9.299,409 2.899,410 4.098,411 3.839,412 6.225,413 3.935,414 2.95,415 3.259,416 2.011,417 9.283,418 2.897,419 4.076,420 3.83,421 6.218,422 3.905,423 2.92,424 3.241,425 2.01,426 9.252,427 2.868,428 4.064,429 3.82,430 6.211,431 3.899,432 2.914,433 3.225,434 2.008,435 9.194,436 2.863,437 4.055,438 3.807,439 6.187,440 3.889,441 2.902,442 3.216,443 2.006,444 9.156,445 2.855,446 145.633,447 0.451,448 10.214,449 0.032,450 285.25,451 0.883,452 82.5,453 0.255,454 202.75,455 0.628,456 901.354,457 2.791,458 402.167,459 0.598,460 683.513,461 2.116,462 53.743,463 0.166,464 97.629,465 0.302,466 0.284,468 0.373,471 0.808,472 1.638,473 0.931,474 1.367,475 0.676,476 1.191,477 0.502,478 1.51,479 0.893,480 1.405,481 0.488,482 1.24,483 0.935,484 1.074,485 1,486 1.078,487 0.966,488 1.066,489 1.195,490 1.088,491 0.973,492 0.946,493 1.146,494 0.908,495 1.023,496 1.107,497 0.955,498 0.994,499 1.017,500 0.965,501 1.098,502 1.002,503 1.053,504 1.026,505 1.135,506 1.042,507 1.177,508 1.121,509 1.058,510 1.069,511 1.153,512 1.045,513 0.947,514 1.121,515 0.998,516 1.102,517 0.941,518 1.068,519 84,520 6.831,521 40.889,522 22.736,523 24.34,524 15.667,525 11.273,526 11.858,527 8.68,528 6.291,529 8635080,530 26384400,531 1.823,532 51.9,533 97,534 67,537 79,538 26,539 78,540 2,541 2.202,542 1.641,543 6.391,544 60.021,547 1107.6,548 1.648,549 3.206,550 4.937,551 6.151,552 6.924,553 7.38,554 5.919,555 8.123,556 8.302,557 6.637,558 345144,559 15.343,560 33365400,563 6311.64,564 1.585,565 8.21,566 0.259,567 0.008,568 0.094,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.526,577 0.17,578 0.38,579 4.44,580 3063.64,581 -0.122,582 -0.089,583 -0.018,584 0.013,585 -0.069,586 0.024,587 0.184,588 -0.196,589 0.045,590 -0.159,591 0.124,592 -0.096,593 -0.008,594 0.038,595 -0.026,596 -0.029,597 -0.079,598 -0.036,599 -0.154,600 -0.037,601 0.025,602 0.043,603 -0.121,604 0.083,605 0.114,606 -0.012,607 0.062,608 0.021,609 0.133,610 0.031,611 -0.002,612 0.112,613 -0.047,614 0.016,615 -0.031,616 -0.027,617 -0.12,618 -0.031,619 -0.059,620 -0.015,621 -0.081,622 -0.02,623 0.079,624 -0.054,625 0.004,626 -0.049,627 0.089,628 -0.044,629 3.499,630 8.37,631 0.031,632 2535.11,633 1.014,634 1.152,635 -23.763,636 564.683,637 0.596,638 5.784,639 6.075,640 6.213,641 6.373,642 6.535,643 6.586,644 6.667,645 6.759,646 6.76,647 6.771,648 50.048,649 0.57,650 4617.15,651 5.784,652 7.324,653 8.126,654 8.979,655 9.809,656 10.665,657 11.508,658 12.365,659 13.215,660 14.075,661 8.5,662 9,667 46,669 2,686 672,687 55,689 324,690 673,691 202,696 2,697 2,699 2,701 33,702 6,705 95,706 55,707 147,708 12,709 55,710 53,711 2,712 55,716 349,717 120,718 79,719 121,720 1,722 57,725 1,726 63,727 2,728 1,733 2,735 2,740 7,741 37,742 2,743 7,744 9,747 10,749 2,750 1,751 1,752 28,755 323,756 16,757 10,758 67,759 37,761 1,762 52,763 2,768 9.4,769 3,770 7,771 53,774 196.833,775 118.967,776 73.944,777 41.107,778 0.331,779 1.03,780 0.864,781 147.742,782 11.487,783 5.94,784 6.304,785 6.458,786 6.649,787 6.923,788 6.883,789 6.95,790 7.126,791 7.06,792 7.059,793 1,794 488,795 127.357,796 58.971,797 8.338,798 220.963,799 176.156,800 2.838,801 916.833,804 3178.2,805 663.522,806 1232.57,808 1759.52,810 32.22,811 631.302,812 4937.71,813 1232.57,814 245.471,815 1358.25,816 128.05,817 1854.25,818 33.571,819 3.798,820 3210.42,822 3178.2,823 1863.88,824 1759.52,825 32.22,826 2236.51,827 2573.15,828 128.05,829 1630.1,830 233.772,832 32.22,833 3178.2,834 2992.09,835 663.522,836 3178.2,837 418.051,838 251.72,839 666.398,840 2319.44,841 3178.2,842 2992.09,843 663.522,844 0.574,845 0.31,846 0.155,847 0.091,848 115,849 109,850 0.247,851 166,853 1,854 17.994,855 5946.35,857 10,858 2660.33,859 1,860 298.987,861 159.607,862 118.931,864 2992.09,871 1619.59,872 6833.81,873 379,874 749.891,875 7.911,876 -66.457,877 681.504,878 774.134,879 0.175,880 0.341,881 0.526,882 0.655,883 0.737,884 0.786,885 7.214,886 2.986,887 8.128,888 9.587,889 6.767,890 6.997,891 5.946,892 8.897,893 6.739,894 8.367,895 2.98,896 9.681,897 9.391,898 6.485,899 6.893,900 5.491,901 9.771,902 6.468,903 9.64,904 2.961,905 11.331,906 9.38,907 8.335,908 8.784,909 7.17,910 12.807,911 8.274,912 10.932,913 2.955,914 13.034,915 9.339,916 8.793,917 9.413,918 7.245,919 14.451,920 8.741,921 12.251,922 2.95,923 14.773,924 9.299,925 10.167,926 10.831,927 8.625,928 17.026,929 10.072,930 13.585,931 2.92,932 16.534,933 9.283,934 10.952,935 11.76,936 8.824,937 19.002,938 10.855,939 14.932,940 2.914,941 18.313,942 9.252,943 12.146,944 13.014,945 10.264,946 21.401,947 12.013,948 3.222,949 2.902,950 20.104,951 9.194,952 13.085,953 14.074,954 10.366,955 23.535,956 12.942,957 3.047,958 11.262,959 21.905,960 9.156,961 14.208,962 15.268,963 12.067,964 25.867,965 14.033,966 3.042,967 10.014,968 23.714,969 3.486,970 15.222,971 16.387,972 11.912,973 28.083,974 15.031,975 3.038,976 9.912,977 25.529,978 3.338,979 16.319,980 17.562,981 14.003,982 30.394,983 16.099,984 3.002,985 9.854,986 27.35,987 3.334,988 17.37,989 18.709,990 13.475,991 32.659,992 17.129,993 2.998,994 9.842,995 29.174,996 3.329,997 18.459,998 19.881,999 16.03,1000 34.972,1001 18.191,1002 2.989,1003 9.781,1004 31.003,1005 3.313,1006 19.531,1007 21.043,1008 15.061,1009 37.269,1010 19.239,1011 8669040,1012 15155200,1013 193.915,1014 400.77,1015 479.014,1016 513.279,1017 503.588,1018 471.34,1019 471.491,1020 530.102,1021 242.898,1022 1305.4,1023 465.541,1024 5.334,1025 5.925,1026 6.749,1027 5.254,1028 5.222,1029 5.821,1030 5.9,1031 18.882,1032 5.031,1033 347.025,1034 1.478,1035 1.584,1036 1.554,1037 1.455,1038 1.455,1039 1.636,1040 0.75,1041 4.029,1042 1.437,1043 4.415,1044 4.476,1045 4.293,1046 4.209,1047 7.57,1048 4.217,1049 3.941,1050 3.99,1051 3.87,1052 3.766,1053 7.472,1054 3.781,1055 3.887,1056 3.935,1057 3.857,1058 3.713,1059 7.472,1060 3.726,1061 3.885,1062 3.932,1063 3.812,1064 3.709,1065 7.472,1066 3.722,1067 3.882,1068 3.929,1069 3.811,1070 3.704,1071 7.472,1072 3.717,1073 3.877,1074 3.924,1075 3.804,1076 3.7,1077 7.472,1078 3.714,1079 3.869,1080 3.916,1081 3.801,1082 3.693,1083 7.472,1084 3.704,1085 3.865,1086 3.911,1087 3.796,1088 3.685,1089 7.463,1090 3.698,1091 0.013,1092 0.013,1093 0.021,1094 0.013,1095 0.01,1096 4.334,1097 0.011,1098 4.093,1099 0.009,1100 6.84,1101 0.035,1102 4.186,1103 0.01,1104 3.222,1105 3.486,1106 2.95,1107 11.262,1108 3.101,1109 1.835,1110 1.788,1111 2.032,1112 2.036,1113 1.34,1114 2.027,1115 1.834,1116 1.785,1117 2.029,1118 2.032,1119 1.34,1120 2.026,1121 1.831,1122 1.783,1123 2.022,1124 2.032,1125 1.338,1126 2.023,1127 1.824,1128 1.777,1129 2.02,1130 2.027,1131 1.335,1132 2.017,1133 1.82,1134 1.773,1135 2.015,1136 2.025,1137 1.334,1138 2.016,1139 1.814,1140 1.766,1141 2.013,1142 2.017,1143 1.33,1144 2.009,1145 1.809,1146 1.76,1147 2.012,1148 2.013,1149 1.328,1150 2.003,1151 1.808,1152 1.759,1153 2.011,1154 2.009,1155 1.326,1156 2.002,1157 6.475,1159 7.777,1160 3.045,1161 9.226,1162 5.283,1163 10.748,1164 7.298,1165 12.317,1166 42.8,1169 90.94,1170 103.851,1171 -25.353,1172 89.256,1174 1.165,1175 -79.706,1176 2.535,1178 383.352,1179 1107.6,1180 2154.43,1181 3317.34,1182 4133.14,1183 4653.18,1184 4959.26,1185 19465.2,1186 11.156,1187 1999.64,1188 2024.94,1189 10,1190 14.628,1191 5.807,1192 5.807,1193 4353.24,1194 9786,1195 11254,1196 0.201,1197 2422.8,1198 4532.52,1199 5903.39,1200 3352400,1202 245.592,1203 0.76,1204 0.587,1205 245.945,1206 189.759,1207 151.372,1208 0.467,1209 0.34,1210 107.072,1211 143.178,1212 104.307,1213 87.001,1214 151.976,1215 110.179,1216 138.153,1217 0.318,1218 0.195,1219 138.58,1220 84.714,1221 97.603,1222 0.196,1223 0.107,1224 97.882,1225 53.518,1226 72.744,1227 0.124,1228 0.059,1229 72.977,1230 34.294,1231 57.702,1232 0.084,1233 0.032,1234 57.976,1235 21.88,1236 0.34,1237 972.914,1238 0.072,1239 171.618,1240 0.493,1241 1516,1242 5482.23,1243 1769.47,1244 5121.94,1245 6422.18,1246 4674,1247 1690,1248 4209.13,1249 1914.22,1250 4166.22,1251 5984.57,1252 3900,1253 8.709} {0 CHEMBL436726,1 1.633,2 94.567,3 -11.196,4 125.341,5 1185.64,6 6.841,8 6.594,9 6.74,10 6.014,11 5.963,12 7.738,13 5.951,14 7.176,15 7.379,16 6.379,17 6.371,18 8.336,19 6.314,20 7.561,21 7.799,22 6.543,23 6.589,24 8.688,25 6.519,26 7.7,27 7.942,28 6.684,29 6.678,30 8.871,31 6.637,32 7.769,33 7.988,34 6.868,35 6.767,36 9.205,37 6.741,38 7.873,39 8.091,40 6.912,41 6.897,42 9.173,43 6.851,44 8,45 8.226,46 6.984,47 7.018,48 9.226,49 6.965,50 8.12,51 8.353,52 7.094,53 7.11,54 9.452,55 7.045,56 1.792,57 9.578,58 162.224,59 57.683,60 324.98,61 85.049,62 5.945,63 14.287,64 302.688,65 95.641,66 988.713,67 148.459,68 11.435,69 17.639,70 466.064,71 123.288,72 1736.63,73 195.851,74 12.657,75 19.339,76 541.715,77 126.638,78 2120.16,79 210.269,80 18.855,81 21.145,82 584.102,83 138.141,84 3415.5,85 224.564,86 18.944,87 23.808,88 643.205,89 165.212,90 3127.37,91 257.305,92 17.914,93 26.686,94 726.305,95 186.166,96 3250.73,97 295.046,98 23.644,99 29.242,100 824.153,101 209.817,102 4319.66,103 336.07,104 14574,105 452,106 0.171,107 0.333,108 0.516,109 0.648,110 0.734,111 0.786,112 5.817,113 1.011,114 -21.56,115 -20.64,116 -18.67,117 30.3,118 27,119 61,120 12,121 1,122 12,124 41,138 55,139 2,143 15,144 15,145 15,147 8,149 8,150 62,151 8,152 3,153 21,154 10,155 56,156 2,157 54,159 4,160 38,161 6,162 10,163 2,164 4,165 50,166 1,167 42,168 39,169 84,170 2,171 2,172 6,174 8,176 1,177 78,178 2,179 1,180 8,181 7,182 69,183 8,184 2,185 1,187 10,188 1,190 48,191 65,192 8,193 5,194 61,195 14,196 63,197 6,198 6,199 35,201 5,203 19,204 67,205 5,206 7,207 68,208 51,209 73,210 2,211 7,212 63,213 3,217 11,218 85,219 2,220 7,221 22,222 15,223 76,224 8,225 11,226 72,227 15,228 7,231 46,232 88,233 9,234 12,235 71,236 18,237 94,238 5,239 9,240 73,241 18,243 8,246 24,247 97,248 5,249 15,250 75,251 50,252 107,253 2,254 11,255 83,256 13,258 13,260 2,261 1294110,262 213.134,263 213.134,264 213.134,265 213.134,266 213.134,267 204.169,268 227.076,269 127.139,270 214.833,271 165.046,272 165.046,273 165.046,274 165.046,275 165.046,276 148.906,277 212.933,278 59.447,279 167.338,280 7.812,281 6.261,282 4.514,283 3.25,284 2.425,285 1.93,286 6.484,291 63556,292 20.149,294 3016.96,298 15.273,299 950.939,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 765,310 31680,311 4.334,312 3.992,313 6.84,314 4.186,315 3.222,316 3.486,317 2.341,318 11.262,319 3.101,320 4.254,321 3.952,322 6.661,323 4.093,324 3.121,325 3.418,326 2.341,327 10.524,328 3.025,329 4.178,330 3.886,331 6.482,332 4.031,333 3.047,334 3.338,335 2.341,336 10.014,337 2.992,338 4.174,339 3.884,340 6.451,341 4.025,342 3.042,343 3.334,344 2.341,345 9.912,346 2.984,347 4.169,348 3.884,349 6.445,350 4.018,351 3.038,352 3.329,353 2.341,354 9.854,355 2.971,356 4.144,357 3.874,358 6.436,359 3.987,360 3.002,361 3.311,362 2.341,363 9.842,364 2.95,365 4.138,366 3.87,367 6.418,368 3.98,369 2.998,370 3.306,371 2.341,372 9.781,373 2.938,374 4.134,375 3.867,376 6.368,377 3.97,378 2.986,379 3.302,380 2.341,381 9.587,382 2.929,383 4.131,384 3.86,385 6.281,386 3.969,387 2.986,388 3.295,389 2.038,390 9.388,391 2.929,392 4.123,393 3.851,394 6.252,395 3.963,396 2.98,397 3.284,398 2.026,399 9.38,400 2.922,401 4.109,402 3.842,403 6.247,404 3.941,405 2.956,406 3.274,407 2.013,408 9.339,409 2.901,410 4.1,411 3.835,412 6.242,413 3.937,414 2.952,415 3.262,416 2.012,417 9.289,418 2.898,419 4.096,420 3.829,421 6.225,422 3.931,423 2.945,424 3.258,425 2.01,426 9.283,427 2.894,428 4.072,429 3.817,430 6.217,431 3.902,432 2.917,433 3.237,434 2.01,435 9.252,436 2.865,437 4.062,438 3.803,439 6.207,440 3.896,441 2.911,442 3.222,443 2.008,444 9.183,445 2.86,446 150.7,447 0.45,448 10.512,449 0.031,450 296.5,451 0.885,452 85.5,453 0.255,454 211,455 0.63,456 947.545,457 2.828,458 416.9,459 0.598,460 725.351,461 2.165,462 56.226,463 0.168,464 100.934,465 0.301,466 0.279,468 0.373,471 0.804,472 1.654,473 0.935,474 1.391,475 0.671,476 1.197,477 0.501,478 1.505,479 0.868,480 1.392,481 0.485,482 1.237,483 0.923,484 1.073,485 0.998,486 1.081,487 0.953,488 1.06,489 1.187,490 1.099,491 0.986,492 0.963,493 1.142,494 0.916,495 1.02,496 1.107,497 0.969,498 1.001,499 1.009,500 0.968,501 1.093,502 1.007,503 1.066,504 1.034,505 1.131,506 1.042,507 1.162,508 1.133,509 1.064,510 1.085,511 1.145,512 1.051,513 0.943,514 1.125,515 0.996,516 1.101,517 0.936,518 1.066,519 86,520 7.211,521 42.222,522 23.986,523 25.46,524 16.389,525 11.967,526 12.577,527 9.248,528 6.731,529 9531890,530 28962900,531 1.83,532 51.9,533 106,534 68,537 79,538 28,539 81,541 2.207,542 1.649,543 6.425,544 59.638,547 1138.39,548 1.633,549 3.184,550 4.931,551 6.195,552 7.02,553 7.515,554 5.949,555 8.183,556 8.354,557 6.669,558 373071,559 15.445,560 36866300,563 6583.17,564 1.585,565 8.264,566 0.255,567 0.008,568 0.093,569 0.047,570 0.043,571 0.023,572 0.016,573 0.016,574 0.011,575 0.008,576 0.52,577 0.17,578 0.38,579 2.369,580 3196.44,581 -0.119,582 -0.103,583 -0.02,584 0.002,585 -0.065,586 0.021,587 0.183,588 -0.19,589 0.055,590 -0.152,591 0.124,592 -0.095,593 -0.006,594 0.039,595 -0.016,596 -0.022,597 -0.076,598 -0.027,599 -0.15,600 -0.041,601 0.024,602 0.04,603 -0.119,604 0.079,605 0.11,606 -0.007,607 0.058,608 0.022,609 0.132,610 0.029,611 -0.003,612 0.11,613 -0.05,614 0.019,615 -0.032,616 -0.026,617 -0.116,618 -0.037,619 -0.06,620 -0.021,621 -0.082,622 -0.023,623 0.075,624 -0.055,625 0.003,626 -0.051,627 0.086,628 -0.043,629 3.639,630 8.387,631 0.084,632 2676,633 1.014,634 1.152,635 -26.332,636 693.36,637 0.595,638 5.823,639 6.116,640 6.26,641 6.425,642 6.588,643 6.642,644 6.73,645 6.827,646 6.836,647 6.855,648 51.128,649 0.57,650 4768.31,651 5.823,652 7.365,653 8.168,654 9.023,655 9.854,656 10.711,657 11.555,658 12.414,659 13.266,660 14.127,661 8.3,662 9,667 47,669 2,686 697,687 57,689 337,690 699,691 211,696 3,697 3,699 2,701 33,702 15,705 102,706 57,707 154,708 12,709 57,710 55,711 2,712 57,716 362,717 124,718 79,719 124,722 58,725 1,726 66,727 2,728 1,733 2,735 2,740 6,741 38,742 3,743 8,744 9,747 11,749 3,752 28,755 335,756 15,757 11,758 73,759 38,762 53,763 3,768 9.5,769 3,770 8,771 55,774 203.167,775 123.283,776 76.611,777 43.119,778 0.335,779 1.029,780 0.864,781 150.689,782 11.933,783 5.979,784 6.344,785 6.504,786 6.7,787 6.974,788 6.938,789 7.01,790 7.191,791 7.139,792 7.142,793 0.984,794 512,795 132.367,796 61.554,797 8.333,798 229.543,799 183.561,800 2.833,801 949.167,804 3331.22,805 654.536,806 1220.81,808 1852.49,811 654.536,812 5183.71,813 1220.81,814 246.677,815 1362.9,816 128.05,817 1952.83,818 33.571,819 3.798,820 3331.22,822 3331.22,823 1875.35,824 1852.49,826 2377.76,827 2677.9,828 128.05,829 1634.75,830 240.592,833 3331.22,834 3073.3,835 654.536,836 3331.22,837 407.859,838 256.05,839 684.409,840 2379.52,841 3331.22,842 3073.3,843 654.536,844 0.574,845 0.312,846 0.157,847 0.092,848 122,849 113,850 0.23,851 161,853 1,854 18.335,855 6313.87,857 28,858 2773.99,860 307.949,861 163.926,862 120.532,864 3073.3,871 1647.38,872 7059.06,873 394,874 783.976,875 7.924,876 -69.84,877 706.813,878 802.832,879 0.173,880 0.337,881 0.522,882 0.656,883 0.743,884 0.796,885 7.253,886 2.986,887 8.169,888 9.781,889 6.808,890 7.036,891 5.943,892 8.942,893 6.781,894 8.406,895 2.986,896 9.723,897 9.587,898 6.521,899 6.929,900 5.543,901 9.819,902 6.502,903 9.68,904 2.98,905 11.374,906 9.388,907 8.378,908 8.824,909 7.096,910 12.86,911 8.316,912 10.972,913 2.956,914 13.08,915 9.38,916 8.835,917 9.453,918 7.304,919 14.512,920 8.778,921 12.292,922 2.952,923 14.821,924 9.339,925 10.213,926 10.873,927 8.414,928 17.092,929 10.114,930 13.627,931 2.945,932 16.585,933 9.289,934 10.999,935 11.804,936 8.891,937 19.077,938 10.897,939 14.975,940 2.917,941 18.366,942 9.283,943 12.196,944 13.059,945 9.822,946 21.483,947 12.059,948 3.222,949 2.911,950 20.161,951 9.252,952 13.139,953 14.122,954 10.443,955 23.626,956 12.989,957 3.121,958 11.262,959 21.965,960 9.183,961 14.264,962 15.318,963 11.294,964 25.965,965 14.083,966 3.047,967 10.524,968 23.778,969 3.486,970 15.282,971 16.439,972 11.998,973 28.189,974 15.083,975 3.042,976 10.014,977 25.596,978 3.418,979 16.382,980 17.617,981 12.818,982 30.508,983 16.153,984 3.038,985 9.912,986 27.421,987 3.338,988 17.437,989 18.767,990 13.571,991 32.779,992 17.186,993 3.002,994 9.854,995 29.25,996 3.334,997 18.53,998 19.942,999 14.382,1000 35.098,1001 18.251,1002 2.998,1003 9.842,1004 31.082,1005 3.329,1006 19.605,1007 21.107,1008 15.165,1009 37.4,1010 19.301,1011 9541940,1012 16635100,1013 202.469,1014 415.06,1015 498.465,1016 530.517,1017 523.78,1018 490.597,1019 490.584,1020 551.252,1021 247.167,1022 1360.14,1023 484.837,1024 5.334,1025 5.845,1026 6.749,1027 5.254,1028 5.222,1029 5.821,1030 3.925,1031 18.882,1032 5.044,1033 357.686,1034 1.479,1035 1.574,1036 1.554,1037 1.456,1038 1.456,1039 1.636,1040 0.733,1041 4.036,1042 1.439,1043 4.439,1044 4.501,1045 4.311,1046 4.231,1047 7.577,1048 4.241,1049 3.941,1050 3.991,1051 3.867,1052 3.766,1053 7.472,1054 3.781,1055 3.89,1056 3.937,1057 3.818,1058 3.714,1059 7.472,1060 3.727,1061 3.886,1062 3.933,1063 3.812,1064 3.709,1065 7.472,1066 3.722,1067 3.883,1068 3.931,1069 3.809,1070 3.705,1071 7.472,1072 3.719,1073 3.88,1074 3.927,1075 3.807,1076 3.701,1077 7.472,1078 3.715,1079 3.876,1080 3.922,1081 3.802,1082 3.696,1083 7.472,1084 3.711,1085 3.868,1086 3.915,1087 3.793,1088 3.689,1089 7.472,1090 3.704,1091 0.013,1092 0.012,1093 0.02,1094 0.012,1095 0.01,1096 4.334,1097 0.01,1098 3.992,1099 0.007,1100 6.84,1101 0.033,1102 4.186,1103 0.009,1104 3.222,1105 3.486,1106 2.341,1107 11.262,1108 3.101,1109 1.838,1110 1.79,1111 2.032,1112 2.038,1113 1.347,1114 2.03,1115 1.834,1116 1.785,1117 2.03,1118 2.035,1119 1.346,1120 2.026,1121 1.831,1122 1.783,1123 2.027,1124 2.032,1125 1.34,1126 2.023,1127 1.825,1128 1.777,1129 2.02,1130 2.03,1131 1.338,1132 2.021,1133 1.824,1134 1.776,1135 2.017,1136 2.026,1137 1.335,1138 2.017,1139 1.819,1140 1.77,1141 2.015,1142 2.023,1143 1.334,1144 2.014,1145 1.812,1146 1.764,1147 2.013,1148 2.016,1149 1.333,1150 2.008,1151 1.809,1152 1.76,1153 2.012,1154 2.011,1155 1.329,1156 2.002,1157 6.515,1159 7.817,1160 3.045,1161 9.267,1162 5.283,1163 10.792,1164 7.298,1165 12.363,1166 42.768,1169 86.213,1170 113.119,1171 -27.972,1172 92.364,1175 -82.436,1176 3.05,1178 397.492,1179 1138.39,1180 2219.14,1181 3436.81,1182 4317.84,1183 4893.14,1184 5237.95,1185 15914.4,1186 11.597,1187 2043.26,1188 2043.26,1189 28,1190 14.679,1191 5.858,1192 5.858,1193 3510.31,1194 10387,1195 12033,1196 0.153,1197 2503.53,1198 4689.44,1199 6100.38,1200 6027620,1202 254.144,1203 0.759,1204 0.585,1205 254.144,1206 195.988,1207 157.16,1208 0.466,1209 0.337,1210 111.633,1211 149.168,1212 108.99,1213 90.875,1214 157.16,1215 113.552,1216 143.297,1217 0.317,1218 0.193,1219 143.297,1220 87.362,1221 101.973,1222 0.195,1223 0.107,1224 101.973,1225 55.674,1226 76.441,1227 0.124,1228 0.058,1229 76.441,1230 35.872,1231 60.665,1232 0.084,1233 0.032,1234 60.665,1235 22.874,1236 0.259,1237 1004.12,1238 0.07,1239 175.813,1240 0.375,1241 1578,1242 5693.66,1243 1825.62,1244 5294.2,1245 6647.16,1246 4832,1247 1763,1248 4377.07,1249 1986.6,1250 4321.48,1251 6215.89,1252 4049,1253 9.244} {0 CHEMBL437664,1 1.629,2 77.394,3 -6.169,4 38.061,5 1011.07,6 6.846,7 0.039,8 6.424,9 6.57,10 5.843,11 5.8,12 7.574,13 5.786,14 6.997,15 7.199,16 6.207,17 6.201,18 8.169,19 6.143,20 7.376,21 7.613,22 6.354,23 6.414,24 8.501,25 6.341,26 7.522,27 7.768,28 6.491,29 6.503,30 8.671,31 6.457,32 7.579,33 7.795,34 6.692,35 6.595,36 9.012,37 6.567,38 7.702,39 7.924,40 6.736,41 6.721,42 9.005,43 6.675,44 7.814,45 8.04,46 6.799,47 6.838,48 9.045,49 6.785,50 7.926,51 8.156,52 6.918,53 6.941,54 9.248,55 6.874,56 1.449,57 8.119,58 136.43,59 48.882,60 260.973,61 71.815,62 4.853,63 12.088,64 252.185,65 81.048,66 834.855,67 125.023,68 9.171,69 14.915,70 386.273,71 103.399,72 1401.04,73 163.667,74 10.206,75 16.342,76 452.856,77 107.443,78 1717.93,79 177.456,80 14.917,81 17.892,82 480.271,83 117.013,84 2725.15,85 188.467,86 15.653,87 20.122,88 542.267,89 138.34,90 2565.82,91 216.224,92 14.737,93 22.434,94 602.871,95 155.598,96 2708.74,97 245.004,98 18.499,99 24.833,100 674.331,101 177.983,102 3421.54,103 281.687,104 10702,105 382,106 0.175,107 0.358,108 0.534,109 0.662,110 0.74,111 0.79,112 5.653,113 1.005,114 -13.07,115 -12.57,116 -11.45,117 30.7,118 26,119 49,120 10,122 7,124 31,125 2,127 5,128 1,130 1,134 1,138 45,139 2,140 1,143 12,144 12,145 12,147 8,149 8,150 57,151 8,153 15,154 8,155 50,156 2,157 50,159 4,160 43,161 6,162 7,163 2,165 43,167 33,168 34,169 74,170 2,171 1,172 11,174 6,177 62,178 2,180 6,181 5,182 60,183 8,184 2,185 6,187 10,190 38,191 53,192 8,193 3,194 52,195 12,196 65,197 6,198 3,199 34,200 1,201 5,203 14,204 61,205 6,206 3,207 53,208 45,209 68,210 1,211 6,212 55,213 4,215 2,217 9,218 74,219 2,220 5,221 17,222 12,223 61,224 8,225 10,226 72,227 15,228 5,231 37,232 77,233 7,234 11,235 59,236 16,237 84,238 6,239 7,240 73,241 20,243 5,246 14,247 87,248 6,249 9,250 57,251 45,252 98,253 1,254 8,255 77,256 10,257 1,258 11,260 1,261 794994,262 180.071,263 180.071,264 180.071,265 180.071,266 180.071,267 171.116,268 186.053,269 108.009,270 181.489,271 139.833,272 139.833,273 139.833,274 139.833,275 139.833,276 124.527,277 173.469,278 50.803,279 141.752,280 7.573,281 5.862,282 4.22,283 3.026,284 2.304,285 1.837,286 6.317,291 43946,292 19.183,294 1318.31,295 1568.23,298 12.679,299 773.011,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 646.5,310 21980,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.143,339 3.881,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.975,351 2.991,352 3.338,353 2.341,354 9.418,355 2.934,356 4.138,357 3.866,358 6.252,359 3.964,360 2.98,361 3.315,362 2.341,363 9.383,364 2.922,365 4.131,366 3.862,367 6.242,368 3.961,369 2.978,370 3.309,371 2.341,372 9.342,373 2.919,374 4.117,375 3.856,376 6.239,377 3.947,378 2.962,379 3.298,380 2.341,381 9.339,382 2.908,383 4.107,384 3.847,385 6.219,386 3.937,387 2.952,388 3.286,389 2.013,390 9.27,391 2.898,392 4.091,393 3.832,394 6.215,395 3.924,396 2.939,397 3.282,398 2.012,399 9.251,400 2.886,401 4.083,402 3.821,403 6.212,404 3.904,405 2.918,406 3.275,407 2.011,408 9.238,409 2.869,410 4.073,411 3.815,412 6.178,413 3.902,414 2.916,415 3.254,416 2.009,417 9.148,418 2.867,419 4.056,420 3.806,421 6.177,422 3.892,423 2.904,424 3.238,425 2.007,426 9.114,427 2.862,428 4.027,429 3.787,430 6.159,431 3.876,432 2.887,433 3.221,434 2.005,435 9.066,436 2.845,437 4.007,438 3.769,439 6.124,440 3.85,441 2.863,442 3.195,443 2.002,444 8.932,445 2.817,446 128.1,447 0.451,448 9.05,449 0.032,450 258,451 0.908,452 80.5,453 0.283,454 177.5,455 0.625,456 759.298,457 2.674,458 351.3,459 0.596,460 594.237,461 2.092,462 49.29,463 0.174,464 83.746,465 0.295,466 0.279,467 0.008,468 0.351,471 0.806,472 1.619,473 0.937,474 1.368,475 0.674,476 1.185,477 0.48,478 1.489,479 0.856,480 1.38,481 0.473,482 1.227,483 0.936,484 1.086,485 1.022,486 1.095,487 0.962,488 1.079,489 1.184,490 1.058,491 0.975,492 0.93,493 1.136,494 0.893,495 0.997,496 1.145,497 0.962,498 1.038,499 1.001,500 0.991,501 1.1,502 0.995,503 1.054,504 1.011,505 1.132,506 1.018,507 1.195,508 1.097,509 1.07,510 1.049,511 1.183,512 1.028,513 0.916,514 1.139,515 0.989,516 1.119,517 0.92,518 1.078,519 76.5,520 5.998,521 34.667,522 20.285,523 21.706,524 14.007,525 10.117,526 10.534,527 7.999,528 5.617,529 5782100,530 17469100,531 1.826,532 51.8,533 88,534 50,535 1,536 1,537 67,538 27,539 71,541 2.181,542 1.646,543 6.149,544 50.128,547 959.631,548 1.629,549 3.34,550 4.982,551 6.176,552 6.898,553 7.365,554 5.653,555 7.86,556 8.119,557 6.415,558 257786,559 14.979,560 21885400,563 5420.05,564 1.633,565 8.025,566 0.268,567 0.008,568 0.091,569 0.048,570 0.044,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.534,577 0.17,578 0.38,579 4.16,580 2617.96,581 -0.119,582 -0.086,583 -0.021,584 0.008,585 -0.068,586 0.023,587 0.201,588 -0.185,589 0.066,590 -0.148,591 0.137,592 -0.089,593 -0.017,594 0.029,595 -0.039,596 -0.038,597 -0.083,598 -0.048,599 -0.153,600 -0.014,601 0.033,602 0.064,603 -0.122,604 0.098,605 0.128,606 -0.037,607 0.062,608 -0.005,609 0.14,610 0.012,611 0.001,612 0.105,613 -0.035,614 0.023,615 -0.023,616 -0.013,617 -0.126,618 -0.01,619 -0.062,620 0.004,621 -0.088,622 -0.008,623 0.086,624 -0.058,625 0.005,626 -0.057,627 0.091,628 -0.047,629 3.502,630 8.515,631 0.039,632 1834.3,633 1.013,634 1.151,635 -17.84,636 318.258,637 0.598,638 5.656,639 5.948,640 6.071,641 6.236,642 6.404,643 6.447,644 6.532,645 6.631,646 6.639,647 6.636,648 43.328,649 0.572,650 4032.35,651 5.656,652 7.197,653 7.994,654 8.848,655 9.675,656 10.532,657 11.372,658 12.231,659 13.079,660 13.94,661 8.3,662 8,667 37,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 589,687 58,688 1,689 285,690 590,691 181,692 9,693 1,694 5,696 2,697 2,699 2,701 31,705 80,706 56,707 125,708 12,709 47,710 45,711 2,712 47,716 305,717 102,718 67,719 103,721 1,722 49,725 1,726 54,727 1,735 1,736 1,740 4,741 33,743 8,744 8,747 9,749 2,752 26,755 284,756 12,757 9,758 56,759 33,762 41,764 2,768 9.2,769 1,770 8,771 45,774 172.5,775 105.15,776 64.778,777 36.007,778 0.557,779 1.052,780 0.865,781 127.661,782 11.227,783 5.825,784 6.204,785 6.37,786 6.593,787 6.872,788 6.83,789 6.931,790 7.129,791 7.117,792 7.127,793 1,794 424,795 111.682,796 51.453,797 8.316,798 194.228,799 154.27,800 2.816,801 799.833,804 2801.52,805 622.42,806 1056.26,808 1515.67,811 622.42,812 4317.19,813 1056.26,814 229.455,815 1125.95,816 99.112,817 1691.52,818 56.299,819 15.569,820 2777.98,822 2801.52,823 1678.68,824 1515.67,826 1965.77,827 2308.74,828 42.683,829 1417.14,830 244.763,831 16.786,833 2801.52,834 2571.94,835 622.42,836 2801.52,837 327.918,838 294.503,839 611.14,840 1960.8,841 2801.52,842 2571.94,843 622.42,844 0.573,845 0.305,846 0.154,847 0.091,848 102,849 94,850 0.249,851 147,853 1,854 16.213,855 5102.58,857 11,858 2286.53,860 261.264,861 138.771,862 106.409,864 2555.15,865 10.752,866 4.268,867 2.771,869 0.609,871 1390.06,872 5995.88,873 337.5,874 637.855,875 7.944,876 -57.627,877 596.763,878 677.87,879 0.177,880 0.363,881 0.541,882 0.671,883 0.75,884 0.8,885 7.094,886 2.962,887 8,888 9.342,889 6.64,890 6.896,891 5.752,892 8.774,893 6.614,894 8.255,895 2.952,896 9.555,897 9.339,898 6.378,899 6.787,900 5.371,901 9.728,902 6.361,903 9.533,904 2.939,905 11.211,906 9.27,907 8.221,908 8.718,909 6.921,910 12.754,911 8.162,912 10.831,913 2.918,914 12.927,915 9.251,916 8.706,917 9.334,918 7.147,919 14.548,920 8.654,921 12.157,922 2.916,923 14.684,924 9.238,925 10.084,926 10.805,927 8.257,928 17.159,929 9.993,930 13.5,931 2.904,932 16.47,933 9.148,934 10.906,935 11.724,936 8.751,937 19.346,938 10.814,939 14.857,940 2.887,941 18.28,942 9.114,943 12.117,944 13.036,945 9.686,946 21.853,947 11.992,948 3.451,949 2.863,950 20.111,951 9.066,952 13.103,953 14.092,954 10.323,955 24.238,956 12.968,957 3.45,958 13.16,959 21.959,960 8.932,961 14.258,962 15.347,963 11.18,964 26.745,965 14.096,966 3.047,967 13.158,968 23.823,969 3.651,970 15.328,971 16.47,972 11.898,973 29.229,974 15.15,975 3.001,976 9.912,977 25.702,978 3.65,979 16.472,980 17.706,981 12.725,982 31.76,983 16.269,984 2.991,985 9.781,986 27.594,987 3.501,988 17.588,989 18.868,990 13.489,991 34.292,992 17.367,993 2.98,994 9.418,995 29.499,996 3.473,997 18.74,998 20.101,999 14.308,1000 36.843,1001 18.496,1002 2.978,1003 9.383,1004 31.416,1005 3.338,1006 19.886,1007 21.287,1008 15.101,1009 39.399,1010 19.622,1011 5815080,1012 10109900,1013 170.962,1014 352.281,1015 421.769,1016 446.245,1017 440.565,1018 414.521,1019 414.58,1020 472.508,1021 202.235,1022 1146.57,1023 409.831,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 296.343,1034 1.48,1035 1.566,1036 1.546,1037 1.454,1038 1.455,1039 1.658,1040 0.71,1041 4.023,1042 1.438,1043 4.35,1044 4.409,1045 4.231,1046 4.154,1047 7.552,1048 4.162,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.81,1070 3.71,1071 7.472,1072 3.722,1073 3.88,1074 3.928,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.925,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.867,1086 3.915,1087 3.791,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.016,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.341,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.029,1131 1.34,1132 2.025,1133 1.831,1134 1.782,1135 2.028,1136 2.025,1137 1.338,1138 2.021,1139 1.822,1140 1.774,1141 2.017,1142 2.024,1143 1.335,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.016,1149 1.334,1150 2.011,1151 1.803,1152 1.754,1153 2.012,1154 2.006,1155 1.33,1156 1.999,1157 6.347,1159 7.649,1160 2.398,1161 9.098,1162 4.443,1163 10.621,1164 6.26,1165 12.192,1166 40.277,1169 68.858,1170 91.366,1171 -22.261,1172 80.798,1175 -61.888,1177 -3.889,1178 337.078,1179 959.631,1180 1967.28,1181 2934.48,1182 3637.47,1183 4062.98,1184 4338.08,1185 14660.8,1186 10.669,1187 1712.85,1188 1712.85,1189 11,1190 14.493,1191 5.883,1192 5.741,1193 3446.04,1194 7490,1195 7694,1196 0.209,1197 2128.69,1198 3969.72,1199 5185.76,1200 1577530,1202 215.672,1203 0.759,1204 0.586,1205 215.672,1206 166.477,1207 133.036,1208 0.467,1209 0.335,1210 93.953,1211 126.44,1212 91.486,1213 76.506,1214 133.036,1215 95.517,1216 122.323,1217 0.32,1218 0.194,1219 122.323,1220 74.128,1221 84.656,1222 0.196,1223 0.105,1224 84.656,1225 45.46,1226 63.862,1227 0.125,1228 0.058,1229 63.862,1230 29.799,1231 50.571,1232 0.084,1233 0.031,1234 50.571,1235 18.812,1236 0.352,1237 848.525,1238 0.076,1239 156.26,1240 0.517,1241 1334,1242 4777.45,1243 1539.17,1244 4461.34,1245 5609.7,1246 4070,1247 1481,1248 3708.86,1249 1663.1,1250 3673.84,1251 5263.57,1252 3437,1253 9.377} {0 CHEMBL438231,1 1.627,2 77.405,3 -6.42,4 41.223,5 1027.3,6 6.85,7 0.038,8 6.44,9 6.585,10 5.86,11 5.819,12 7.588,13 5.805,14 7.015,15 7.217,16 6.223,17 6.22,18 8.187,19 6.161,20 7.396,21 7.633,22 6.368,23 6.432,24 8.519,25 6.359,26 7.539,27 7.785,28 6.507,29 6.521,30 8.685,31 6.474,32 7.597,33 7.813,34 6.709,35 6.612,36 9.026,37 6.585,38 7.719,39 7.94,40 6.758,41 6.74,42 9.027,43 6.695,44 7.833,45 8.058,46 6.82,47 6.859,48 9.068,49 6.806,50 7.948,51 8.178,52 6.941,53 6.964,54 9.267,55 6.897,56 1.458,57 8.247,58 138.427,59 50.115,60 263.534,61 73.24,62 4.924,63 12.306,64 256.629,65 82.811,66 850.382,67 127.527,68 9.393,69 15.207,70 394.064,71 105.892,72 1451.33,73 167.059,74 10.367,75 16.678,76 460.309,77 109.84,78 1754.95,79 180.906,80 15.146,81 18.256,82 488.613,83 119.432,84 2763.6,85 191.897,86 16.005,87 20.554,88 551.484,89 141.155,90 2641.45,91 219.947,92 15.124,93 22.97,94 614.407,95 159.129,96 2800.6,97 249.887,98 18.832,99 25.457,100 689.397,101 182.476,102 3481.65,103 288.257,104 11047,105 388,106 0.174,107 0.354,108 0.533,109 0.661,110 0.741,111 0.796,112 5.67,113 1.007,114 -13.73,115 -13.2,116 -12.02,117 30.9,118 26,119 52,120 10,122 7,124 31,125 2,127 5,128 1,130 1,134 1,138 47,139 1,140 1,143 11,144 11,145 11,147 8,149 8,150 59,151 8,153 16,154 7,155 50,156 1,157 53,159 2,160 44,161 6,162 8,163 1,165 43,167 33,168 34,169 77,170 2,171 1,172 11,174 7,177 64,178 2,180 6,181 5,182 61,183 8,184 2,185 7,187 8,190 38,191 56,192 8,193 3,194 52,195 13,196 64,197 6,198 4,199 35,200 1,201 3,203 14,204 63,205 6,206 4,207 54,208 47,209 69,210 1,211 7,212 58,213 4,215 2,217 9,218 75,219 2,220 6,221 19,222 11,223 63,224 8,225 8,226 74,227 15,228 5,231 37,232 80,233 7,234 9,235 59,236 15,237 89,238 6,239 6,240 74,241 20,243 8,246 15,247 89,248 6,249 8,250 57,251 47,252 103,253 1,254 9,255 81,256 10,257 1,258 12,260 1,261 821511,262 183.347,263 183.347,264 183.347,265 183.347,266 183.347,267 174.367,268 189.351,269 110.143,270 184.617,271 142.326,272 142.326,273 142.326,274 142.326,275 142.326,276 126.869,277 176.583,278 51.855,279 144.015,280 7.6,281 5.915,282 4.244,283 3.042,284 2.294,285 1.785,286 6.335,291 44721,292 19.339,294 1342.72,295 1597.4,298 12.529,299 795.146,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 658,310 22370,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.146,339 3.882,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.977,351 2.993,352 3.338,353 2.341,354 9.418,355 2.936,356 4.138,357 3.866,358 6.254,359 3.964,360 2.981,361 3.318,362 2.341,363 9.39,364 2.923,365 4.132,366 3.863,367 6.242,368 3.961,369 2.978,370 3.309,371 2.341,372 9.342,373 2.919,374 4.121,375 3.856,376 6.239,377 3.953,378 2.968,379 3.298,380 2.341,381 9.339,382 2.913,383 4.107,384 3.847,385 6.227,386 3.937,387 2.953,388 3.289,389 2.013,390 9.3,391 2.898,392 4.091,393 3.832,394 6.216,395 3.924,396 2.939,397 3.282,398 2.012,399 9.251,400 2.886,401 4.083,402 3.821,403 6.212,404 3.908,405 2.922,406 3.275,407 2.011,408 9.238,409 2.873,410 4.076,411 3.816,412 6.182,413 3.902,414 2.916,415 3.254,416 2.009,417 9.148,418 2.867,419 4.058,420 3.806,421 6.178,422 3.893,423 2.905,424 3.241,425 2.007,426 9.132,427 2.863,428 4.029,429 3.788,430 6.168,431 3.88,432 2.891,433 3.222,434 2.005,435 9.095,436 2.849,437 4.009,438 3.77,439 6.127,440 3.852,441 2.864,442 3.195,443 2.002,444 8.947,445 2.819,446 130.367,447 0.451,448 9.156,449 0.032,450 262.25,451 0.907,452 82,453 0.284,454 180.25,455 0.624,456 780.234,457 2.7,458 357.433,459 0.597,460 611.04,461 2.114,462 50.004,463 0.173,464 85.426,465 0.296,466 0.277,467 0.008,468 0.349,471 0.796,472 1.615,473 0.933,474 1.369,475 0.664,476 1.187,477 0.479,478 1.498,479 0.858,480 1.383,481 0.472,482 1.231,483 0.94,484 1.084,485 1.023,486 1.09,487 0.965,488 1.077,489 1.17,490 1.06,491 0.972,492 0.93,493 1.119,494 0.892,495 0.993,496 1.143,497 0.959,498 1.033,499 0.994,500 0.986,501 1.095,502 0.996,503 1.052,504 1.009,505 1.122,506 1.017,507 1.188,508 1.1,509 1.074,510 1.05,511 1.173,512 1.032,513 0.916,514 1.143,515 0.985,516 1.115,517 0.921,518 1.073,519 77.5,520 6.13,521 34.889,522 20.41,523 21.946,524 14.34,525 10.239,526 10.753,527 8.197,528 5.737,529 5988550,530 18112400,531 1.827,532 51.8,533 90,534 50,535 1,536 1,537 66,538 32,539 70,541 2.185,542 1.648,543 6.154,544 49.05,547 974.427,548 1.627,549 3.312,550 4.983,551 6.184,552 6.933,553 7.442,554 5.659,555 7.895,556 8.145,557 6.413,558 266873,559 15.031,560 22749100,563 5526.62,564 1.631,565 8.051,566 0.267,567 0.008,568 0.09,569 0.047,570 0.044,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.531,577 0.17,578 0.38,579 4.153,580 2669.27,581 -0.115,582 -0.085,583 -0.021,584 0.007,585 -0.064,586 0.021,587 0.199,588 -0.197,589 0.063,590 -0.152,591 0.136,592 -0.093,593 -0.02,594 0.028,595 -0.041,596 -0.036,597 -0.086,598 -0.048,599 -0.15,600 -0.015,601 0.035,602 0.063,603 -0.119,604 0.098,605 0.124,606 -0.036,607 0.064,608 -0.002,609 0.134,610 0.016,611 0.004,612 0.107,613 -0.034,614 0.023,615 -0.019,616 -0.012,617 -0.125,618 -0.01,619 -0.067,620 0.002,621 -0.087,622 -0.012,623 0.082,624 -0.062,625 0.008,626 -0.055,627 0.084,628 -0.043,629 3.619,630 8.52,631 0.038,632 1850.72,633 1.013,634 1.15,635 -18.502,636 342.333,637 0.598,638 5.673,639 5.964,640 6.084,641 6.252,642 6.422,643 6.469,644 6.553,645 6.654,646 6.664,647 6.663,648 43.297,649 0.573,650 4103.43,651 5.673,652 7.213,653 8.009,654 8.863,655 9.689,656 10.546,657 11.386,658 12.245,659 13.093,660 13.953,661 8,662 6,667 39,668 1,669 1,670 1,673 7,674 1,675 1,677 2,679 11,686 599,687 59,688 1,689 290,690 600,691 185,692 9,693 1,694 5,696 2,697 2,699 1,701 31,705 83,706 57,707 128,708 12,709 48,710 47,711 1,712 48,716 310,717 103,718 66,719 104,721 1,722 48,725 1,726 56,727 1,735 1,736 1,740 5,741 34,743 8,744 6,747 9,749 2,752 26,755 289,756 11,757 9,758 59,759 34,762 41,764 2,768 9.3,769 1,770 8,771 47,774 175.333,775 106.95,776 65.944,777 36.753,778 0.544,779 1.051,780 0.865,781 130.504,782 11.248,783 5.842,784 6.218,785 6.379,786 6.604,787 6.886,788 6.85,789 6.945,790 7.14,791 7.134,792 7.147,793 1,794 430,795 113.834,796 52.559,797 8.322,798 197.763,799 157.164,800 2.822,801 815.5,804 2872.15,805 637.534,806 1024.59,808 1565.96,811 637.534,812 4438.11,813 1024.59,814 229.455,815 1118.66,816 99.112,817 1751.21,818 39.513,819 13.67,820 2848.61,822 2872.15,823 1662.12,824 1565.96,826 2048.17,827 2347.25,828 42.683,829 1393.07,830 252.274,831 16.786,833 2872.15,834 2590.55,835 637.534,836 2872.15,837 343.032,838 294.503,839 629.151,840 1961.4,841 2872.15,842 2590.55,843 637.534,844 0.572,845 0.304,846 0.154,847 0.091,848 103,849 95,850 0.252,851 151,853 1,854 16.331,855 5246.62,857 11,858 2332.55,860 265.939,861 141.821,862 109.167,864 2573.77,865 10.744,866 4.268,867 2.77,869 0.606,871 1375.17,872 6100.24,873 343.5,874 665.172,875 4.038,876 -59.689,877 606.967,878 689.036,879 0.176,880 0.359,881 0.54,882 0.67,883 0.751,884 0.807,885 7.11,886 2.968,887 8.014,888 9.342,889 6.655,890 6.91,891 5.781,892 8.786,893 6.632,894 8.27,895 2.953,896 9.567,897 9.339,898 6.389,899 6.8,900 5.403,901 9.737,902 6.376,903 9.547,904 2.939,905 11.222,906 9.3,907 8.234,908 8.726,909 6.951,910 12.762,911 8.179,912 10.843,913 2.922,914 12.937,915 9.251,916 8.715,917 9.343,918 7.175,919 14.555,920 8.667,921 12.168,922 2.916,923 14.692,924 9.238,925 10.094,926 10.81,927 8.284,928 17.166,929 10.007,930 13.51,931 2.905,932 16.477,933 9.148,934 10.913,935 11.73,936 8.775,937 19.352,938 10.824,939 14.866,940 2.891,941 18.287,942 9.132,943 12.125,944 13.039,945 9.708,946 21.858,947 12.003,948 3.451,949 2.864,950 20.117,951 9.095,952 13.109,953 14.096,954 10.342,955 24.242,956 12.977,957 3.45,958 13.16,959 21.965,960 8.947,961 14.264,962 15.348,963 11.198,964 26.748,965 14.104,966 3.047,967 13.158,968 23.828,969 3.651,970 15.333,971 16.473,972 11.912,973 29.231,974 15.157,975 3.001,976 9.912,977 25.707,978 3.65,979 16.477,980 17.708,981 12.738,982 31.762,983 16.276,984 2.993,985 9.781,986 27.599,987 3.501,988 17.593,989 18.87,990 13.5,991 34.293,992 17.373,993 2.981,994 9.418,995 29.503,996 3.473,997 18.744,998 20.102,999 14.318,1000 36.844,1001 18.501,1002 2.978,1003 9.39,1004 31.42,1005 3.338,1006 19.89,1007 21.288,1008 15.109,1009 39.399,1010 19.627,1011 6023050,1012 10477200,1013 174.14,1014 358.469,1015 428.772,1016 454.223,1017 447.609,1018 421.408,1019 421.479,1020 480.212,1021 207.461,1022 1163.45,1023 417.342,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 300.678,1034 1.479,1035 1.566,1036 1.543,1037 1.453,1038 1.453,1039 1.656,1040 0.715,1041 4.012,1042 1.439,1043 4.359,1044 4.418,1045 4.239,1046 4.162,1047 7.557,1048 4.171,1049 3.933,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.841,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.811,1070 3.711,1071 7.472,1072 3.723,1073 3.881,1074 3.929,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.926,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.868,1086 3.916,1087 3.792,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.045,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.347,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.029,1131 1.34,1132 2.025,1133 1.833,1134 1.783,1135 2.028,1136 2.026,1137 1.34,1138 2.022,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.017,1149 1.334,1150 2.011,1151 1.804,1152 1.756,1153 2.014,1154 2.009,1155 1.33,1156 2,1157 6.365,1159 7.665,1160 2.398,1161 9.112,1162 4.443,1163 10.634,1164 6.26,1165 12.204,1166 40.354,1169 63.268,1170 91.552,1171 -24.105,1172 83.246,1175 -62.823,1177 -3.901,1178 343.067,1179 974.427,1180 1983.73,1181 2984.74,1182 3704.39,1183 4152.8,1184 4457.53,1185 15299.1,1186 10.703,1187 1720.64,1188 1720.64,1189 11,1190 14.506,1191 5.907,1192 5.768,1193 3555.84,1194 7631,1195 7715,1196 0.212,1197 2165.33,1198 4042.86,1199 5275.17,1200 1633060,1202 219.371,1203 0.759,1204 0.586,1205 219.371,1206 169.39,1207 135.43,1208 0.467,1209 0.336,1210 95.8,1211 128.723,1212 93.31,1213 77.999,1214 135.43,1215 97.385,1216 124.43,1217 0.321,1218 0.195,1219 124.43,1220 75.493,1221 85.785,1222 0.196,1223 0.106,1224 85.785,1225 46.368,1226 64.84,1227 0.125,1228 0.059,1229 64.84,1230 30.457,1231 51.487,1232 0.084,1233 0.031,1234 51.487,1235 19.278,1236 0.356,1237 863.754,1238 0.076,1239 157.922,1240 0.525,1241 1356,1242 4880.29,1243 1564.4,1244 4551.67,1245 5715.17,1246 4152,1247 1504,1248 3767.86,1249 1688.26,1250 3730.22,1251 5341.6,1252 3490,1253 9.222} {0 CHEMBL438232,1 1.62,2 77.451,3 -5.583,4 31.167,5 1031.79,6 6.79,7 0.038,8 6.443,9 6.591,10 5.857,11 5.822,12 7.583,13 5.805,14 7.019,15 7.224,16 6.218,17 6.223,18 8.174,19 6.161,20 7.396,21 7.636,22 6.363,23 6.434,24 8.511,25 6.358,26 7.54,27 7.788,28 6.497,29 6.523,30 8.676,31 6.472,32 7.598,33 7.817,34 6.696,35 6.614,36 9.009,37 6.581,38 7.719,39 7.943,40 6.743,41 6.74,42 9.004,43 6.69,44 7.832,45 8.059,46 6.807,47 6.857,48 9.05,49 6.8,50 7.944,51 8.176,52 6.929,53 6.962,54 9.248,55 6.892,56 1.362,57 8.302,58 140.308,59 50.123,60 248.546,61 73.988,62 4.751,63 12.35,64 258.982,65 83.004,66 807.533,67 128.403,68 9.067,69 15.212,70 394.53,71 105.767,72 1377.44,73 167.812,74 9.922,75 16.656,76 460.514,77 110.02,78 1674.54,79 181.913,80 14.633,81 18.239,82 489.753,83 119.786,84 2681.56,85 193.372,86 15.342,87 20.509,88 552.045,89 141.271,90 2497.02,91 221.272,92 14.472,93 22.878,94 614.083,95 158.937,96 2655.34,97 250.801,98 18.109,99 25.387,100 686.405,101 182.094,102 3351.85,103 288.688,104 10766,105 386,106 0.173,107 0.354,108 0.534,109 0.665,110 0.744,111 0.798,112 5.667,113 1.013,114 -13.1,115 -12.6,116 -11.48,117 30.7,118 27,119 51,120 10,122 8,124 31,125 2,127 5,128 1,130 1,134 1,138 45,139 2,140 1,143 12,144 12,145 12,147 7,149 7,150 59,151 7,153 15,154 8,155 50,156 2,157 51,159 4,160 44,161 5,162 7,163 2,165 43,167 33,168 34,169 76,170 2,171 1,172 11,174 7,177 64,178 2,180 5,181 4,182 63,183 7,184 1,185 7,187 10,190 37,191 56,192 7,193 2,194 50,195 11,196 66,197 5,198 3,199 35,200 1,201 5,203 13,204 63,205 5,206 3,207 52,208 46,209 69,210 1,211 7,212 58,213 4,215 2,217 9,218 73,219 2,220 6,221 17,222 12,223 61,224 7,225 9,226 74,227 13,228 3,231 36,232 80,233 6,234 10,235 59,236 15,237 87,238 5,239 7,240 73,241 19,243 8,246 13,247 90,248 5,249 7,250 55,251 45,252 103,253 1,254 7,255 79,256 10,258 13,261 817998,262 182.9,263 182.9,264 182.9,265 182.9,266 182.9,267 173.944,268 189.59,269 109.95,270 184.341,271 141.816,272 141.816,273 141.816,274 141.816,275 141.816,276 126.5,277 176.926,278 51.75,279 143.761,280 7.614,281 5.921,282 4.235,283 3.013,284 2.269,285 1.769,286 6.332,291 44594,292 19.287,294 1337.86,295 1591.59,298 12.558,299 770.25,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 654,310 22306,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.141,339 3.877,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.14,348 3.872,349 6.337,350 3.974,351 2.99,352 3.338,353 2.341,354 9.418,355 2.933,356 4.138,357 3.866,358 6.251,359 3.964,360 2.98,361 3.312,362 2.341,363 9.379,364 2.922,365 4.131,366 3.862,367 6.242,368 3.961,369 2.978,370 3.308,371 2.341,372 9.342,373 2.919,374 4.114,375 3.854,376 6.239,377 3.944,378 2.96,379 3.298,380 2.013,381 9.339,382 2.904,383 4.106,384 3.846,385 6.218,386 3.936,387 2.951,388 3.283,389 2.012,390 9.257,391 2.897,392 4.091,393 3.832,394 6.213,395 3.924,396 2.939,397 3.282,398 2.011,399 9.249,400 2.886,401 4.083,402 3.82,403 6.212,404 3.904,405 2.918,406 3.274,407 2.009,408 9.238,409 2.868,410 4.073,411 3.815,412 6.178,413 3.902,414 2.916,415 3.254,416 2.007,417 9.148,418 2.867,419 4.053,420 3.804,421 6.177,422 3.891,423 2.903,424 3.237,425 2.005,426 9.113,427 2.862,428 4.027,429 3.787,430 6.155,431 3.874,432 2.886,433 3.218,434 2.002,435 9.049,436 2.842,437 4.006,438 3.768,439 6.124,440 3.85,441 2.862,442 3.195,443 1.999,444 8.932,445 2.817,446 130.167,447 0.452,448 9.05,449 0.031,450 260.25,451 0.904,452 80.5,453 0.28,454 179.75,455 0.624,456 780.429,457 2.71,458 356.433,459 0.592,460 598.514,461 2.078,462 49.462,463 0.172,464 85.574,465 0.297,466 0.276,467 0.008,468 0.346,471 0.801,472 1.626,473 0.944,474 1.374,475 0.667,476 1.194,477 0.485,478 1.486,479 0.865,480 1.379,481 0.476,482 1.228,483 0.941,484 1.081,485 1.023,486 1.09,487 0.965,488 1.075,489 1.192,490 1.059,491 0.979,492 0.934,493 1.142,494 0.897,495 1.012,496 1.144,497 0.967,498 1.037,499 1.014,500 0.991,501 1.117,502 0.995,503 1.058,504 1.012,505 1.149,506 1.019,507 1.209,508 1.093,509 1.074,510 1.046,511 1.196,512 1.028,513 0.919,514 1.143,515 0.987,516 1.118,517 0.924,518 1.075,519 76.5,520 6.097,521 34.889,522 20.285,523 21.626,524 14.063,525 10.076,526 10.596,527 8.073,528 5.697,529 5959490,530 17736700,531 1.828,532 52.2,533 90,534 52,535 1,536 1,537 67,538 28,539 75,541 2.184,542 1.65,543 6.151,544 49.998,547 975.05,548 1.62,549 3.313,550 4.998,551 6.22,552 6.965,553 7.465,554 5.652,555 7.931,556 8.14,557 6.415,558 265107,559 15.022,560 22622700,563 5558.64,564 1.631,565 8.047,566 0.265,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.528,577 0.17,578 0.38,579 4.178,580 2659.62,581 -0.115,582 -0.09,583 -0.02,584 0.004,585 -0.065,586 0.02,587 0.199,588 -0.185,589 0.063,590 -0.148,591 0.134,592 -0.089,593 -0.013,594 0.031,595 -0.037,596 -0.035,597 -0.08,598 -0.045,599 -0.154,600 -0.015,601 0.031,602 0.062,603 -0.121,604 0.094,605 0.122,606 -0.039,607 0.06,608 -0.003,609 0.134,610 0.014,611 -0.003,612 0.105,613 -0.036,614 0.022,615 -0.029,616 -0.013,617 -0.127,618 -0.007,619 -0.063,620 0.006,621 -0.089,622 -0.008,623 0.088,624 -0.061,625 0.009,626 -0.054,627 0.091,628 -0.043,629 3.47,630 8.522,631 0.038,632 1845.11,633 1.012,634 1.151,635 -17.874,636 319.487,637 0.598,638 5.67,639 5.958,640 6.08,641 6.242,642 6.409,643 6.455,644 6.541,645 6.644,646 6.654,647 6.655,648 43.372,649 0.571,650 4087.49,651 5.67,652 7.209,653 8.005,654 8.857,655 9.682,656 10.538,657 11.377,658 12.235,659 13.082,660 13.942,661 8.3,662 8,667 38,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 602,687 58,688 1,689 289,690 603,691 185,692 9,693 1,694 5,696 2,697 2,699 2,701 32,705 82,706 56,707 129,708 12,709 47,710 45,711 2,712 47,716 314,717 102,718 67,719 103,721 1,722 50,725 1,726 53,727 1,735 1,736 1,740 4,741 34,743 7,744 8,747 8,749 2,752 27,755 288,756 12,757 8,758 59,759 34,762 41,764 2,768 8.8,769 1,770 7,771 45,774 174.5,775 107.7,776 65.778,777 37.019,778 0.551,779 1.052,780 0.867,781 130.826,782 11.247,783 5.836,784 6.212,785 6.377,786 6.596,787 6.871,788 6.832,789 6.936,790 7.136,791 7.126,792 7.143,793 1,794 428,795 113.092,796 51.808,797 8.288,798 197.608,799 156.875,800 2.788,801 802.833,804 2907.46,805 642.215,806 1074.27,808 1472.99,811 642.215,812 4380.45,813 1074.27,814 238.281,815 1151.13,816 99.112,817 1652.63,818 56.299,819 15.569,820 2883.92,822 2907.46,823 1716.49,824 1472.99,826 2024.63,827 2313.14,828 42.683,829 1451.15,830 248.558,831 16.786,833 2907.46,834 2547.26,835 642.215,836 2907.46,837 338.887,838 303.328,839 629.151,840 1918.11,841 2907.46,842 2547.26,843 642.215,844 0.572,845 0.305,846 0.153,847 0.09,848 102,849 94,850 0.249,851 150,853 1,854 16.356,855 5203.13,857 11,858 2322.94,860 265.263,861 142.04,862 109.216,864 2530.48,865 10.761,866 4.27,867 2.773,869 0.611,871 1365.38,872 6096.94,873 341.5,874 639.788,875 7.989,876 -55.135,877 609.072,878 692.82,879 0.175,880 0.359,881 0.541,882 0.674,883 0.754,884 0.808,885 7.104,886 2.96,887 8.008,888 9.342,889 6.65,890 6.904,891 5.744,892 8.779,893 6.624,894 8.263,895 2.951,896 9.561,897 9.339,898 6.378,899 6.787,900 5.35,901 9.728,902 6.362,903 9.539,904 2.939,905 11.215,906 9.257,907 8.227,908 8.721,909 6.902,910 12.754,911 8.168,912 10.835,913 2.918,914 12.93,915 9.249,916 8.706,917 9.334,918 7.115,919 14.547,920 8.655,921 12.16,922 2.916,923 14.685,924 9.238,925 10.087,926 10.807,927 8.224,928 17.158,929 9.996,930 13.502,931 2.903,932 16.471,933 9.148,934 10.906,935 11.724,936 8.706,937 19.345,938 10.814,939 14.858,940 2.886,941 18.28,942 9.113,943 12.118,944 13.036,945 9.638,946 21.852,947 11.993,948 3.451,949 2.862,950 20.111,951 9.049,952 13.102,953 14.091,954 10.264,955 24.237,956 12.967,957 3.45,958 13.16,959 21.959,960 8.932,961 14.257,962 15.346,963 11.117,964 26.744,965 14.095,966 3.047,967 13.158,968 23.823,969 3.651,970 15.326,971 16.469,972 11.825,973 29.228,974 15.148,975 3.001,976 9.912,977 25.701,978 3.65,979 16.47,980 17.705,981 12.648,982 31.759,983 16.268,984 2.99,985 9.781,986 27.593,987 3.501,988 17.587,989 18.866,990 13.404,991 34.292,992 17.365,993 2.98,994 9.418,995 29.498,996 3.473,997 18.738,998 20.099,999 14.219,1000 36.843,1001 18.494,1002 2.978,1003 9.379,1004 31.415,1005 3.338,1006 19.884,1007 21.285,1008 15.005,1009 39.398,1010 19.62,1011 5993630,1012 10342000,1013 173.735,1014 359.878,1015 426.819,1016 451.427,1017 445.536,1018 419.57,1019 419.665,1020 477.588,1021 201.665,1022 1156.71,1023 414.906,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 298.647,1034 1.477,1035 1.562,1036 1.542,1037 1.452,1038 1.452,1039 1.653,1040 0.698,1041 4.002,1042 1.436,1043 4.36,1044 4.42,1045 4.239,1046 4.163,1047 7.551,1048 4.171,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.81,1070 3.711,1071 7.472,1072 3.723,1073 3.88,1074 3.929,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.926,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.867,1086 3.915,1087 3.791,1088 3.693,1089 7.461,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.342,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.341,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.029,1131 1.34,1132 2.025,1133 1.831,1134 1.782,1135 2.028,1136 2.026,1137 1.34,1138 2.021,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.017,1149 1.335,1150 2.011,1151 1.806,1152 1.756,1153 2.012,1154 2.009,1155 1.334,1156 2.003,1157 6.361,1159 7.661,1160 2.398,1161 9.107,1162 4.443,1163 10.628,1164 6.26,1165 12.196,1166 41.799,1169 69.121,1170 81.536,1171 -20.541,1172 84.558,1175 -60.815,1177 -3.883,1178 343.492,1179 975.05,1180 1994.16,1181 3009.04,1182 3744.66,1183 4192.76,1184 4493.7,1185 14976.7,1186 10.697,1187 1704.65,1188 1704.65,1189 11,1190 14.496,1191 5.883,1192 5.741,1193 3533.46,1194 7618,1195 7700,1196 0.211,1197 2169.86,1198 4041.13,1199 5286.21,1200 1625110,1202 218.501,1203 0.759,1204 0.589,1205 218.501,1206 169.651,1207 135.036,1208 0.467,1209 0.338,1210 95.974,1211 128.434,1212 93.413,1213 78.165,1214 135.036,1215 97.544,1216 123.725,1217 0.321,1218 0.196,1219 123.725,1220 75.509,1221 85.738,1222 0.197,1223 0.106,1224 85.738,1225 46.38,1226 64.466,1227 0.126,1228 0.059,1229 64.466,1230 30.414,1231 50.923,1232 0.084,1233 0.032,1234 50.923,1235 19.27,1236 0.355,1237 860.402,1238 0.076,1239 157.62,1240 0.522,1241 1350,1242 4775.63,1243 1554.67,1244 4462.89,1245 5618.82,1246 4074,1247 1497,1248 3719.52,1249 1679.11,1250 3686.05,1251 5279.14,1252 3449,1253 9.143} {0 CHEMBL438236,1 1.632,2 77.255,3 -6.82,4 46.514,5 999.162,6 6.889,7 0.039,8 6.412,9 6.556,10 5.839,11 5.792,12 7.561,13 5.779,14 6.988,15 7.188,16 6.204,17 6.196,18 8.162,19 6.139,20 7.373,21 7.609,22 6.357,23 6.411,24 8.501,25 6.34,26 7.518,27 7.761,28 6.495,29 6.503,30 8.673,31 6.459,32 7.581,33 7.796,34 6.698,35 6.599,36 9.015,37 6.572,38 7.706,39 7.927,40 6.748,41 6.729,42 9.012,43 6.683,44 7.823,45 8.048,46 6.812,47 6.848,48 9.058,49 6.795,50 7.936,51 8.165,52 6.934,53 6.952,54 9.258,55 6.888,56 1.461,57 8.033,58 133.754,59 48.514,60 259.205,61 70.763,62 4.869,63 12.027,64 248.951,65 80.382,66 831.231,67 123.693,68 9.304,69 14.911,70 384.834,71 103.312,72 1422.82,73 162.812,74 10.388,75 16.4,76 450.65,77 107.371,78 1742.36,79 176.229,80 15.107,81 18.016,82 480.292,83 117.947,84 2753.42,85 188.826,86 15.881,87 20.344,88 543.247,89 139.687,90 2601.6,91 217.284,92 15.176,93 22.74,94 608.011,95 157.15,96 2773.45,97 246.725,98 18.933,99 25.203,100 680.79,101 180.136,102 3485.04,103 283.964,104 9799,105 381,106 0.175,107 0.356,108 0.535,109 0.669,110 0.75,111 0.804,112 5.646,113 1.004,114 -13.4,115 -12.88,116 -11.73,117 31,118 24,119 51,120 9,122 7,124 31,125 2,127 5,128 1,130 1,134 1,138 46,139 1,140 1,143 10,144 10,145 10,147 8,149 8,150 56,151 8,153 15,154 6,155 49,156 1,157 52,159 2,160 41,161 6,162 7,163 1,165 43,167 33,168 34,169 76,170 2,171 1,172 11,174 6,177 63,178 2,180 6,181 5,182 58,183 8,184 2,185 7,187 8,190 38,191 53,192 8,193 3,194 52,195 13,196 62,197 6,198 3,199 36,200 1,201 3,203 14,204 61,205 6,206 3,207 54,208 47,209 68,210 1,211 6,212 57,213 4,215 2,217 9,218 74,219 2,220 5,221 19,222 11,223 61,224 8,225 8,226 71,227 15,228 5,231 37,232 77,233 7,234 9,235 59,236 15,237 88,238 6,239 5,240 72,241 19,243 5,246 15,247 88,248 6,249 7,250 57,251 46,252 102,253 1,254 8,255 75,256 10,257 1,258 11,260 1,261 778082,262 179.364,263 179.364,264 179.364,265 179.364,266 179.364,267 170.643,268 187.221,269 107.523,270 180.674,271 139.333,272 139.333,273 139.333,274 139.333,275 139.333,276 124.208,277 175.12,278 50.569,279 141.067,280 7.55,281 5.865,282 4.2,283 2.951,284 2.194,285 1.692,286 6.313,291 43739,292 18.358,294 1293.81,295 1539.67,298 12.633,299 778.07,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 642.5,310 21786,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.143,339 3.881,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.141,348 3.873,349 6.337,350 3.975,351 2.99,352 3.338,353 2.341,354 9.417,355 2.934,356 4.138,357 3.866,358 6.25,359 3.964,360 2.98,361 3.316,362 2.341,363 9.377,364 2.922,365 4.131,366 3.862,367 6.242,368 3.961,369 2.978,370 3.309,371 2.341,372 9.342,373 2.919,374 4.116,375 3.855,376 6.239,377 3.945,378 2.96,379 3.298,380 2.341,381 9.339,382 2.905,383 4.106,384 3.847,385 6.218,386 3.936,387 2.951,388 3.285,389 2.013,390 9.257,391 2.897,392 4.091,393 3.832,394 6.213,395 3.924,396 2.939,397 3.282,398 2.012,399 9.248,400 2.886,401 4.082,402 3.821,403 6.212,404 3.903,405 2.918,406 3.275,407 2.011,408 9.238,409 2.869,410 4.073,411 3.815,412 6.178,413 3.902,414 2.915,415 3.254,416 2.009,417 9.148,418 2.867,419 4.055,420 3.806,421 6.177,422 3.892,423 2.904,424 3.238,425 2.007,426 9.113,427 2.862,428 4.027,429 3.787,430 6.156,431 3.874,432 2.885,433 3.22,434 2.005,435 9.051,436 2.842,437 4.007,438 3.769,439 6.124,440 3.849,441 2.862,442 3.195,443 2.002,444 8.932,445 2.816,446 127.133,447 0.451,448 8.868,449 0.031,450 257.25,451 0.912,452 80.5,453 0.285,454 176.75,455 0.627,456 748.936,457 2.656,458 348.067,459 0.599,460 591.71,461 2.098,462 49.084,463 0.174,464 83.22,465 0.295,466 0.27,467 0.008,468 0.35,471 0.796,472 1.615,473 0.926,474 1.364,475 0.661,476 1.179,477 0.481,478 1.501,479 0.858,480 1.383,481 0.475,482 1.231,483 0.932,484 1.079,485 1.014,486 1.084,487 0.956,488 1.068,489 1.186,490 1.061,491 0.985,492 0.933,493 1.135,494 0.899,495 0.986,496 1.143,497 0.959,498 1.036,499 0.992,500 0.99,501 1.073,502 0.999,503 1.044,504 1.014,505 1.102,506 1.019,507 1.176,508 1.094,509 1.066,510 1.044,511 1.159,512 1.025,513 0.918,514 1.137,515 0.985,516 1.109,517 0.925,518 1.07,519 75,520 6.055,521 34.667,522 20.035,523 21.546,524 14.118,525 10.035,526 10.565,527 8.024,528 5.717,529 5714340,530 17336200,531 1.835,532 51.5,533 83,534 50,535 1,536 1,537 64,538 29,539 71,541 2.18,542 1.657,543 6.14,544 47.428,547 948.421,548 1.632,549 3.318,550 4.982,551 6.231,552 6.988,553 7.49,554 5.655,555 7.872,556 8.109,557 6.409,558 253929,559 14.957,560 21411700,563 5334.97,564 1.632,565 8.017,566 0.264,567 0.008,568 0.091,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.528,577 0.17,578 0.38,579 1.947,580 2595.75,581 -0.116,582 -0.088,583 -0.019,584 0.008,585 -0.062,586 0.023,587 0.196,588 -0.199,589 0.06,590 -0.154,591 0.133,592 -0.096,593 -0.017,594 0.032,595 -0.033,596 -0.031,597 -0.082,598 -0.041,599 -0.159,600 -0.013,601 0.023,602 0.06,603 -0.125,604 0.091,605 0.125,606 -0.037,607 0.061,608 -0.004,609 0.134,610 0.012,611 0.009,612 0.102,613 -0.031,614 0.02,615 -0.016,616 -0.014,617 -0.122,618 -0.009,619 -0.062,620 0.004,621 -0.084,622 -0.008,623 0.079,624 -0.059,625 0.007,626 -0.051,627 0.082,628 -0.042,629 3.52,630 8.513,631 0.103,632 1805.86,633 1.014,634 1.15,635 -18.169,636 330.116,637 0.599,638 5.652,639 5.945,640 6.075,641 6.24,642 6.41,643 6.46,644 6.545,645 6.649,646 6.666,647 6.678,648 43.1,649 0.574,650 4002.26,651 5.652,652 7.194,653 7.993,654 8.848,655 9.676,656 10.533,657 11.374,658 12.233,659 13.082,660 13.942,661 8.1,662 6,667 38,668 1,669 1,670 1,673 7,674 1,675 1,677 2,679 11,686 581,687 58,688 1,689 284,690 583,691 180,692 9,693 1,694 5,696 3,697 3,699 1,701 29,702 9,705 82,706 56,707 124,708 11,709 47,710 46,711 1,712 47,716 299,717 101,718 64,719 102,721 1,722 47,725 1,726 55,727 1,735 1,736 1,740 4,741 34,743 8,744 6,747 9,749 3,752 24,755 282,756 10,757 9,758 58,759 34,762 40,764 2,768 9.5,769 1,770 8,771 46,774 170.167,775 103.367,776 64.278,777 35.711,778 0.525,779 1.048,780 0.866,781 124.494,782 11.475,783 5.822,784 6.2,785 6.372,786 6.595,787 6.876,788 6.841,789 6.94,790 7.136,791 7.134,792 7.16,793 1,794 426,795 111.094,796 51.443,797 8.323,798 193.013,799 153.91,800 2.823,801 796,804 2766.21,805 612.645,806 991.694,808 1540.82,811 612.645,812 4307.03,813 991.694,814 211.805,815 1083.23,816 99.112,817 1721.36,818 39.513,819 13.67,820 2742.67,822 2766.21,823 1604.34,824 1540.82,826 1930.46,827 2333.88,828 42.683,829 1339.98,830 247.569,831 16.786,833 2766.21,834 2532.51,835 612.645,836 2766.21,837 335.792,838 276.852,839 629.151,840 1903.36,841 2766.21,842 2532.51,843 612.645,844 0.573,845 0.308,846 0.155,847 0.092,848 104,849 93,850 0.232,851 135,853 1,854 16.117,855 5092.62,857 29,858 2263.35,860 257.352,861 136.417,862 103.027,864 2515.73,865 10.752,866 4.268,867 2.771,869 0.609,871 1342.27,872 5911.36,873 336.5,874 651.526,875 4.038,876 -58.258,877 589.12,878 668.252,879 0.178,880 0.361,881 0.543,882 0.679,883 0.761,884 0.816,885 7.092,886 2.96,887 7.998,888 9.342,889 6.637,890 6.892,891 5.764,892 8.773,893 6.613,894 8.251,895 2.951,896 9.553,897 9.339,898 6.368,899 6.78,900 5.385,901 9.726,902 6.354,903 9.529,904 2.939,905 11.21,906 9.257,907 8.219,908 8.712,909 6.935,910 12.753,911 8.163,912 10.827,913 2.918,914 12.926,915 9.248,916 8.701,917 9.33,918 7.161,919 14.548,920 8.653,921 12.153,922 2.915,923 14.683,924 9.238,925 10.083,926 10.8,927 8.27,928 17.158,929 9.995,930 13.496,931 2.904,932 16.469,933 9.148,934 10.904,935 11.721,936 8.764,937 19.346,938 10.814,939 14.854,940 2.885,941 18.28,942 9.113,943 12.116,944 13.031,945 9.697,946 21.852,947 11.993,948 3.451,949 2.862,950 20.111,951 9.051,952 13.102,953 14.09,954 10.333,955 24.237,956 12.969,957 3.45,958 13.16,959 21.959,960 8.932,961 14.257,962 15.343,963 11.189,964 26.744,965 14.096,966 3.047,967 13.158,968 23.823,969 3.651,970 15.326,971 16.468,972 11.905,973 29.228,974 15.15,975 3.001,976 9.912,977 25.702,978 3.65,979 16.471,980 17.703,981 12.732,982 31.759,983 16.269,984 2.99,985 9.781,986 27.594,987 3.501,988 17.587,989 18.866,990 13.495,991 34.292,992 17.367,993 2.98,994 9.417,995 29.499,996 3.473,997 18.738,998 20.098,999 14.314,1000 36.843,1001 18.495,1002 2.978,1003 9.377,1004 31.415,1005 3.338,1006 19.885,1007 21.285,1008 15.105,1009 39.399,1010 19.621,1011 5722180,1012 9969270,1013 171.25,1014 348.202,1015 420.284,1016 445.25,1017 438.832,1018 413.103,1019 413.169,1020 470.771,1021 203.689,1022 1143.79,1023 408.907,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 289.987,1034 1.48,1035 1.568,1036 1.545,1037 1.455,1038 1.455,1039 1.658,1040 0.717,1041 4.027,1042 1.44,1043 4.346,1044 4.405,1045 4.229,1046 4.151,1047 7.554,1048 4.16,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.931,1069 3.81,1070 3.711,1071 7.472,1072 3.723,1073 3.881,1074 3.928,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.878,1080 3.926,1081 3.803,1082 3.702,1083 7.472,1084 3.716,1085 3.867,1086 3.915,1087 3.791,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.016,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.349,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.039,1119 1.347,1120 2.033,1121 1.847,1122 1.801,1123 2.037,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.031,1130 2.029,1131 1.34,1132 2.025,1133 1.832,1134 1.783,1135 2.028,1136 2.026,1137 1.34,1138 2.022,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.016,1149 1.334,1150 2.011,1151 1.803,1152 1.754,1153 2.009,1154 2.006,1155 1.33,1156 1.998,1157 6.344,1159 7.646,1160 2.398,1161 9.096,1162 4.443,1163 10.621,1164 6.26,1165 12.192,1166 36.893,1169 57.615,1170 91.362,1171 -23.149,1172 83.208,1175 -61.731,1177 -3.904,1178 333.697,1179 948.421,1180 1927.51,1181 2894.83,1182 3620.19,1183 4060.11,1184 4351.81,1185 11034.9,1186 10.95,1187 1677.55,1188 1677.55,1189 29,1190 14.495,1191 5.883,1192 5.741,1193 2570.31,1194 7394,1195 7710,1196 0.158,1197 2102.11,1198 3926.85,1199 5120.91,1200 2359960,1202 213.509,1203 0.757,1204 0.584,1205 213.509,1206 164.62,1207 132.304,1208 0.466,1209 0.335,1210 93.437,1211 125.721,1212 91.117,1213 76.055,1214 132.304,1215 94.999,1216 121.335,1217 0.318,1218 0.193,1219 121.335,1220 73.434,1221 85.078,1222 0.196,1223 0.105,1224 85.078,1225 45.709,1226 64.09,1227 0.125,1228 0.058,1229 64.09,1230 29.927,1231 50.822,1232 0.084,1233 0.031,1234 50.822,1235 18.997,1236 0.266,1237 844.133,1238 0.076,1239 155.501,1240 0.39,1241 1330,1242 4791.25,1243 1535.16,1244 4465.93,1245 5614.91,1246 4076,1247 1480,1248 3708.38,1249 1662.6,1250 3668.69,1251 5261.83,1252 3435,1253 7.75} {0 CHEMBL438932,1 1.629,2 77.337,3 -6.306,4 39.761,5 1014.44,6 6.855,7 0.038,8 6.427,9 6.573,10 5.85,11 5.805,12 7.572,13 5.792,14 7.003,15 7.204,16 6.213,17 6.209,18 8.169,19 6.15,20 7.385,21 7.623,22 6.364,23 6.423,24 8.505,25 6.35,26 7.529,27 7.774,28 6.499,29 6.516,30 8.676,31 6.469,32 7.594,33 7.811,34 6.7,35 6.612,36 9.011,37 6.582,38 7.718,39 7.941,40 6.754,41 6.741,42 9.013,43 6.693,44 7.835,45 8.062,46 6.82,47 6.861,48 9.062,49 6.807,50 7.949,51 8.18,52 6.945,53 6.967,54 9.26,55 6.901,56 1.44,57 8.162,58 136.583,59 49.065,60 256.825,61 72.015,62 4.863,63 12.191,64 253.341,65 81.511,66 823.144,67 125.69,68 9.223,69 15.074,70 389.694,71 104.376,72 1397.13,73 165.204,74 10.228,75 16.568,76 455.714,77 108.679,78 1715.05,79 178.927,80 14.937,81 18.215,82 487.016,83 119.557,84 2716.58,85 192.068,86 15.772,87 20.557,88 550.393,89 141.465,90 2560.71,91 220.701,92 15.028,93 23,94 615.409,95 159.297,96 2738.7,97 250.771,98 18.725,99 25.538,100 689.837,101 182.667,102 3432.98,103 288.734,104 9858,105 384,106 0.175,107 0.357,108 0.536,109 0.668,110 0.748,111 0.801,112 5.656,113 1.006,114 -12.98,115 -12.48,116 -11.37,117 30.8,118 24,119 52,120 9,122 8,124 31,125 2,127 5,128 1,130 1,134 1,138 45,139 2,140 1,143 11,144 11,145 11,147 8,149 8,150 57,151 8,153 15,154 7,155 50,156 2,157 51,159 4,160 41,161 6,162 6,163 2,165 44,167 33,168 34,169 77,170 2,171 1,172 11,174 6,177 64,178 2,180 5,181 4,182 61,183 8,184 1,185 7,187 10,190 37,191 54,192 8,193 2,194 51,195 12,196 64,197 6,198 2,199 36,200 1,201 5,203 14,204 61,205 6,206 2,207 54,208 47,209 69,210 1,211 6,212 59,213 4,215 2,217 10,218 73,219 2,220 5,221 18,222 12,223 60,224 8,225 9,226 71,227 15,228 3,231 36,232 81,233 7,234 10,235 60,236 16,237 89,238 6,239 6,240 71,241 20,243 6,246 14,247 89,248 6,249 6,250 57,251 45,252 103,253 1,254 6,255 77,256 10,257 1,258 11,261 794964,262 181.485,263 181.485,264 181.485,265 181.485,266 181.485,267 172.582,268 190.602,269 108.965,270 182.964,271 140.816,272 140.816,273 140.816,274 140.816,275 140.816,276 125.519,277 178.522,278 51.266,279 142.809,280 7.575,281 5.871,282 4.204,283 2.973,284 2.223,285 1.73,286 6.323,291 44234,292 18.439,294 1306.36,295 1554.82,298 12.579,299 776.221,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 648.5,310 22041,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.141,339 3.877,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.139,348 3.872,349 6.337,350 3.97,351 2.986,352 3.338,353 2.341,354 9.417,355 2.929,356 4.138,357 3.866,358 6.247,359 3.964,360 2.98,361 3.311,362 2.341,363 9.362,364 2.922,365 4.131,366 3.862,367 6.242,368 3.961,369 2.978,370 3.308,371 2.341,372 9.342,373 2.919,374 4.114,375 3.854,376 6.239,377 3.944,378 2.96,379 3.297,380 2.341,381 9.339,382 2.905,383 4.106,384 3.846,385 6.218,386 3.936,387 2.951,388 3.283,389 2.013,390 9.257,391 2.897,392 4.091,393 3.832,394 6.213,395 3.924,396 2.939,397 3.282,398 2.012,399 9.249,400 2.886,401 4.082,402 3.82,403 6.212,404 3.903,405 2.918,406 3.274,407 2.011,408 9.238,409 2.868,410 4.072,411 3.815,412 6.178,413 3.901,414 2.915,415 3.254,416 2.009,417 9.148,418 2.867,419 4.052,420 3.804,421 6.177,422 3.89,423 2.901,424 3.237,425 2.007,426 9.113,427 2.862,428 4.026,429 3.787,430 6.151,431 3.872,432 2.885,433 3.217,434 2.005,435 9.028,436 2.839,437 4.006,438 3.768,439 6.124,440 3.848,441 2.861,442 3.195,443 2.002,444 8.932,445 2.815,446 128.6,447 0.451,448 8.868,449 0.031,450 259.25,451 0.91,452 80.5,453 0.282,454 178.75,455 0.627,456 763.259,457 2.678,458 352,459 0.597,460 596.132,461 2.092,462 49.428,463 0.173,464 84.376,465 0.296,466 0.267,467 0.008,468 0.346,471 0.803,472 1.62,473 0.933,474 1.366,475 0.667,476 1.183,477 0.483,478 1.491,479 0.864,480 1.383,481 0.474,482 1.233,483 0.931,484 1.076,485 1.013,486 1.083,487 0.953,488 1.067,489 1.196,490 1.063,491 0.99,492 0.938,493 1.146,494 0.903,495 0.999,496 1.142,497 0.963,498 1.037,499 1.007,500 0.991,501 1.083,502 0.997,503 1.046,504 1.014,505 1.118,506 1.019,507 1.178,508 1.093,509 1.064,510 1.046,511 1.164,512 1.026,513 0.918,514 1.137,515 0.981,516 1.111,517 0.925,518 1.068,519 75,520 6.089,521 34.889,522 20.035,523 21.466,524 14.118,525 10.035,526 10.628,527 8.073,528 5.737,529 5848230,530 17582600,531 1.837,532 51.7,533 83,534 52,535 1,536 1,537 66,538 27,539 75,541 2.182,542 1.66,543 6.146,544 49.173,547 961.331,548 1.629,549 3.334,550 5.001,551 6.231,552 6.982,553 7.474,554 5.654,555 7.942,556 8.125,557 6.411,558 259467,559 14.988,560 21980200,563 5430.7,564 1.63,565 8.034,566 0.261,567 0.008,568 0.091,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.524,577 0.17,578 0.38,579 2.148,580 2627.26,581 -0.118,582 -0.09,583 -0.019,584 0.007,585 -0.064,586 0.023,587 0.198,588 -0.188,589 0.058,590 -0.153,591 0.134,592 -0.096,593 -0.014,594 0.034,595 -0.031,596 -0.03,597 -0.079,598 -0.039,599 -0.163,600 -0.015,601 0.019,602 0.058,603 -0.127,604 0.088,605 0.119,606 -0.038,607 0.058,608 -0.003,609 0.128,610 0.013,611 0.008,612 0.103,613 -0.03,614 0.021,615 -0.019,616 -0.013,617 -0.118,618 -0.008,619 -0.058,620 0.005,621 -0.08,622 -0.006,623 0.082,624 -0.058,625 0.012,626 -0.05,627 0.085,628 -0.039,629 3.474,630 8.518,631 0.102,632 1820.57,633 1.013,634 1.151,635 -17.747,636 314.941,637 0.599,638 5.663,639 5.953,640 6.082,641 6.244,642 6.413,643 6.466,644 6.554,645 6.661,646 6.677,647 6.691,648 43.206,649 0.573,650 4044.36,651 5.663,652 7.203,653 8.001,654 8.854,655 9.681,656 10.537,657 11.378,658 12.236,659 13.084,660 13.944,661 8.3,662 8,667 37,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 590,687 58,688 1,689 287,690 592,691 182,692 9,693 1,694 5,696 3,697 3,699 2,701 29,702 9,705 83,706 56,707 126,708 11,709 47,710 45,711 2,712 47,716 305,717 102,718 66,719 103,721 1,722 49,725 1,726 54,727 1,735 1,736 1,740 3,741 34,743 8,744 8,747 9,749 3,752 24,755 285,756 11,757 9,758 60,759 34,762 40,764 2,768 9.2,769 1,770 8,771 45,774 171.667,775 104.733,776 65.028,777 36.278,778 0.536,779 1.049,780 0.867,781 126.798,782 11.566,783 5.83,784 6.208,785 6.38,786 6.599,787 6.876,788 6.845,789 6.951,790 7.15,791 7.146,792 7.175,793 1,794 429,795 112.121,796 51.699,797 8.304,798 195.346,799 155.624,800 2.804,801 799,804 2813.29,805 614.479,806 1041.38,808 1515.67,811 614.479,812 4328.96,813 1041.38,814 211.805,815 1120.77,816 99.112,817 1691.52,818 56.299,819 15.569,820 2789.75,822 2813.29,823 1655.86,824 1515.67,826 1930.46,827 2355.82,828 42.683,829 1394.31,830 244.763,831 16.786,833 2813.29,834 2557.05,835 614.479,836 2813.29,837 337.627,838 276.852,839 629.151,840 1927.9,841 2813.29,842 2557.05,843 614.479,844 0.573,845 0.307,846 0.154,847 0.091,848 104,849 93,850 0.231,851 137,853 1,854 16.225,855 5168.91,857 29,858 2300.12,860 260.312,861 138.824,862 105.069,864 2540.26,865 10.757,866 4.269,867 2.772,869 0.61,871 1375.17,872 5984.82,873 339.5,874 640.565,875 7.969,876 -56.592,877 597.763,878 678.87,879 0.177,880 0.362,881 0.543,882 0.677,883 0.758,884 0.812,885 7.099,886 2.96,887 8.004,888 9.342,889 6.645,890 6.9,891 5.753,892 8.776,893 6.618,894 8.257,895 2.951,896 9.557,897 9.339,898 6.368,899 6.78,900 5.371,901 9.726,902 6.351,903 9.534,904 2.939,905 11.212,906 9.257,907 8.224,908 8.72,909 6.922,910 12.753,911 8.164,912 10.831,913 2.918,914 12.928,915 9.249,916 8.701,917 9.332,918 7.148,919 14.547,920 8.649,921 12.157,922 2.915,923 14.684,924 9.238,925 10.085,926 10.807,927 8.258,928 17.157,929 9.993,930 13.5,931 2.901,932 16.47,933 9.148,934 10.903,935 11.724,936 8.752,937 19.345,938 10.81,939 14.857,940 2.885,941 18.28,942 9.113,943 12.117,944 13.037,945 9.687,946 21.851,947 11.991,948 3.451,949 2.861,950 20.11,951 9.028,952 13.101,953 14.092,954 10.324,955 24.236,956 12.965,957 3.45,958 13.16,959 21.958,960 8.932,961 14.256,962 15.347,963 11.181,964 26.743,965 14.093,966 3.047,967 13.158,968 23.822,969 3.651,970 15.325,971 16.47,972 11.898,973 29.228,974 15.147,975 3.001,976 9.912,977 25.701,978 3.65,979 16.469,980 17.706,981 12.726,982 31.759,983 16.266,984 2.986,985 9.781,986 27.593,987 3.501,988 17.585,989 18.867,990 13.49,991 34.291,992 17.364,993 2.98,994 9.417,995 29.498,996 3.473,997 18.737,998 20.1,999 14.309,1000 36.843,1001 18.492,1002 2.978,1003 9.362,1004 31.415,1005 3.338,1006 19.883,1007 21.286,1008 15.102,1009 39.398,1010 19.618,1011 5859020,1012 10161300,1013 173.33,1014 353.281,1015 424.07,1016 448.431,1017 442.488,1018 416.941,1019 417.004,1020 474.881,1021 202.576,1022 1151.45,1023 412.09,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 291.824,1034 1.478,1035 1.562,1036 1.542,1037 1.453,1038 1.453,1039 1.655,1040 0.706,1041 4.012,1042 1.436,1043 4.353,1044 4.412,1045 4.234,1046 4.156,1047 7.552,1048 4.165,1049 3.932,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.81,1070 3.71,1071 7.472,1072 3.723,1073 3.881,1074 3.929,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.878,1080 3.926,1081 3.802,1082 3.701,1083 7.472,1084 3.715,1085 3.867,1086 3.915,1087 3.791,1088 3.693,1089 7.472,1090 3.705,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.046,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.35,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.347,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.029,1130 2.029,1131 1.34,1132 2.025,1133 1.83,1134 1.78,1135 2.028,1136 2.028,1137 1.34,1138 2.022,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.016,1149 1.334,1150 2.011,1151 1.804,1152 1.755,1153 2.009,1154 2.007,1155 1.33,1156 2,1157 6.354,1159 7.655,1160 2.398,1161 9.103,1162 4.443,1163 10.626,1164 6.26,1165 12.195,1166 37.129,1169 63.422,1170 91.49,1171 -22.562,1172 84.052,1175 -60.989,1177 -3.891,1178 338.078,1179 961.331,1180 1966.87,1181 2950.4,1182 3676.52,1183 4119.09,1184 4409.79,1185 11165.8,1186 11.03,1187 1698.86,1188 1698.86,1189 29,1190 14.497,1191 5.883,1192 5.741,1193 2619.57,1194 7502,1195 7689,1196 0.159,1197 2130.89,1198 3974.66,1199 5191.13,1200 2591050,1202 215.63,1203 0.757,1204 0.585,1205 215.63,1206 166.65,1207 133.804,1208 0.466,1209 0.335,1210 94.694,1211 127.182,1212 92.352,1213 77.108,1214 133.804,1215 96.269,1216 122.384,1217 0.319,1218 0.193,1219 122.384,1220 74.212,1221 85.91,1222 0.197,1223 0.106,1224 85.91,1225 46.249,1226 64.518,1227 0.126,1228 0.059,1229 64.518,1230 30.288,1231 51.054,1232 0.084,1233 0.032,1234 51.054,1235 19.26,1236 0.267,1237 853.298,1238 0.076,1239 156.539,1240 0.393,1241 1342,1242 4790.47,1243 1547.86,1244 4470.73,1245 5628.88,1246 4082,1247 1492,1248 3725.7,1249 1675.27,1250 3687.6,1251 5288.12,1252 3453,1253 9.215} {0 CHEMBL439883,1 1.649,2 91.727,3 -10.835,4 117.397,5 1141.81,6 6.898,8 6.551,9 6.696,10 5.982,11 5.925,12 7.697,13 5.911,14 7.132,15 7.333,16 6.345,17 6.331,18 8.296,19 6.273,20 7.512,21 7.749,22 6.498,23 6.54,24 8.645,25 6.47,26 7.646,27 7.887,28 6.635,29 6.62,30 8.823,31 6.58,32 7.705,33 7.921,34 6.816,35 6.704,36 9.152,37 6.679,38 7.804,39 8.021,40 6.854,41 6.833,42 9.104,43 6.787,44 7.933,45 8.157,46 6.926,47 6.95,48 9.171,49 6.897,50 8.047,51 8.278,52 7.033,53 7.041,54 9.389,55 6.973,56 1.754,57 9.199,58 155.192,59 55.681,60 311.707,61 81.274,62 5.769,63 13.74,64 292.832,65 92.494,66 956.755,67 142.154,68 11.102,69 16.837,70 445.922,71 117.825,72 1665.75,73 186.01,74 12.219,75 18.285,76 515.834,77 119.925,78 2041.04,79 198.081,80 18.104,81 19.876,82 550.592,83 130.139,84 3277.43,85 209.795,86 17.747,87 22.353,88 602.6,89 155.489,90 2896.52,91 240.039,92 17.141,93 24.984,94 683.511,95 174.867,96 3118.15,97 274.788,98 22.5,99 27.295,100 773.638,101 197.835,102 4111.74,103 312.853,104 13631,105 435,106 0.174,107 0.337,108 0.519,109 0.647,110 0.731,111 0.781,112 5.778,113 1.019,114 -18.02,115 -17.27,116 -15.66,117 30.3,118 27,119 55,120 12,121 1,122 12,124 40,138 53,139 2,143 13,144 13,145 13,147 8,149 8,150 57,151 7,152 2,153 19,154 9,155 55,156 2,157 52,158 1,159 4,160 36,161 6,162 9,163 2,164 3,165 48,167 40,168 40,169 79,170 2,172 5,173 2,174 7,177 73,178 3,180 7,181 7,182 66,183 7,184 2,186 1,187 8,190 46,191 59,192 7,193 2,194 59,195 12,196 62,197 6,198 5,199 32,201 4,203 16,204 62,205 5,206 5,207 63,208 50,209 70,210 3,211 7,212 57,213 4,217 10,218 79,219 3,220 7,221 19,222 15,223 70,224 8,225 10,226 66,227 15,228 4,231 45,232 82,233 7,234 10,235 67,236 17,237 88,238 6,239 9,240 68,241 19,243 7,246 17,247 88,248 5,249 11,250 68,251 50,252 100,253 2,254 9,255 76,256 13,257 1,258 13,260 1,261 1176140,262 204.822,263 204.822,264 204.822,265 204.822,266 204.822,267 196.17,268 218.565,269 122.078,270 206.76,271 158.672,272 158.672,273 158.672,274 158.672,275 158.672,276 143.097,277 204.329,278 57.054,279 161.197,280 7.732,281 6.177,282 4.455,283 3.232,284 2.436,285 1.967,286 6.444,291 59330,292 20.273,294 4287.22,298 14.907,299 904.296,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 735.5,310 29536,311 4.334,312 4.093,313 6.84,314 4.186,315 3.222,316 3.486,317 2.95,318 11.262,319 3.101,320 4.178,321 3.992,322 6.482,323 4.031,324 3.047,325 3.338,326 2.376,327 10.014,328 2.992,329 4.174,330 3.889,331 6.451,332 4.025,333 3.042,334 3.334,335 2.341,336 9.912,337 2.984,338 4.169,339 3.886,340 6.445,341 4.017,342 3.038,343 3.329,344 2.341,345 9.854,346 2.965,347 4.144,348 3.884,349 6.436,350 3.987,351 3.002,352 3.313,353 2.341,354 9.842,355 2.95,356 4.141,357 3.879,358 6.418,359 3.98,360 2.998,361 3.311,362 2.341,363 9.781,364 2.938,365 4.137,366 3.873,367 6.368,368 3.973,369 2.989,370 3.306,371 2.341,372 9.587,373 2.932,374 4.131,375 3.869,376 6.281,377 3.97,378 2.986,379 3.296,380 2.341,381 9.391,382 2.929,383 4.124,384 3.86,385 6.252,386 3.964,387 2.98,388 3.285,389 2.341,390 9.38,391 2.922,392 4.113,393 3.853,394 6.248,395 3.946,396 2.961,397 3.278,398 2.038,399 9.339,400 2.906,401 4.105,402 3.847,403 6.242,404 3.939,405 2.955,406 3.27,407 2.013,408 9.299,409 2.899,410 4.099,411 3.841,412 6.225,413 3.935,414 2.95,415 3.259,416 2.012,417 9.283,418 2.897,419 4.076,420 3.831,421 6.218,422 3.905,423 2.92,424 3.241,425 2.011,426 9.252,427 2.867,428 4.064,429 3.821,430 6.211,431 3.899,432 2.914,433 3.226,434 2.01,435 9.194,436 2.862,437 4.055,438 3.811,439 6.187,440 3.888,441 2.902,442 3.217,443 2.008,444 9.156,445 2.853,446 145.167,447 0.451,448 10.138,449 0.031,450 285.25,451 0.886,452 82.5,453 0.256,454 202.75,455 0.63,456 895.926,457 2.782,458 400.233,459 0.6,460 680.004,461 2.112,462 53.624,463 0.167,464 97.41,465 0.303,466 0.279,468 0.374,471 0.803,472 1.641,473 0.924,474 1.368,475 0.669,476 1.189,477 0.5,478 1.508,479 0.891,480 1.4,481 0.486,482 1.237,483 0.927,484 1.069,485 0.997,486 1.074,487 0.959,488 1.063,489 1.197,490 1.085,491 0.97,492 0.943,493 1.15,494 0.904,495 1.026,496 1.103,497 0.958,498 0.99,499 1.019,500 0.964,501 1.097,502 1.006,503 1.053,504 1.027,505 1.136,506 1.043,507 1.171,508 1.124,509 1.057,510 1.07,511 1.15,512 1.045,513 0.937,514 1.117,515 0.995,516 1.096,517 0.931,518 1.064,519 83.5,520 6.808,521 40.667,522 22.833,523 24.35,524 15.525,525 11.233,526 11.867,527 8.612,528 6.286,529 8630590,530 26358000,531 1.83,532 51.7,533 97,534 67,537 75,538 26,539 78,540 2,541 2.201,542 1.648,543 6.384,544 56.343,547 1100.05,548 1.649,549 3.205,550 4.926,551 6.149,552 6.945,553 7.415,554 5.905,555 8.1,556 8.297,557 6.631,558 342678,559 15.334,560 33013900,563 6257.49,564 1.585,565 8.207,566 0.258,567 0.008,568 0.093,569 0.047,570 0.043,571 0.023,572 0.016,573 0.016,574 0.011,575 0.008,576 0.524,577 0.17,578 0.38,579 4.341,580 3051.96,581 -0.119,582 -0.099,583 -0.016,584 0.009,585 -0.064,586 0.022,587 0.184,588 -0.197,589 0.044,590 -0.159,591 0.124,592 -0.097,593 -0.007,594 0.039,595 -0.025,596 -0.029,597 -0.079,598 -0.036,599 -0.154,600 -0.038,601 0.028,602 0.043,603 -0.121,604 0.085,605 0.115,606 -0.009,607 0.059,608 0.023,609 0.136,610 0.03,611 -0.009,612 0.109,613 -0.051,614 0.015,615 -0.039,616 -0.029,617 -0.118,618 -0.035,619 -0.059,620 -0.018,621 -0.079,622 -0.022,623 0.083,624 -0.052,625 0.006,626 -0.047,627 0.094,628 -0.042,629 3.502,630 8.369,631 0.047,632 2512.32,633 1.015,634 1.151,635 -22.79,636 519.373,637 0.597,638 5.784,639 6.078,640 6.221,641 6.387,642 6.544,643 6.593,644 6.673,645 6.767,646 6.771,647 6.784,648 49.85,649 0.572,650 4601.09,651 5.784,652 7.326,653 8.129,654 8.984,655 9.816,656 10.672,657 11.517,658 12.375,659 13.227,660 14.087,661 8.2,662 8,667 45,669 2,686 667,687 55,689 324,690 669,691 202,696 3,697 3,699 2,701 33,702 9,705 95,706 55,707 147,708 12,709 55,710 53,711 2,712 55,716 345,717 119,718 75,719 120,720 1,722 55,725 1,726 64,727 2,728 1,733 2,735 3,740 5,741 38,742 2,743 8,744 8,747 11,749 3,750 1,751 1,752 28,755 322,756 13,757 11,758 67,759 38,761 1,762 52,763 2,768 9.6,769 3,770 8,771 53,774 195.333,775 118.417,776 73.611,777 41.025,778 0.335,779 1.03,780 0.863,781 144.627,782 11.559,783 5.94,784 6.306,785 6.466,786 6.663,787 6.934,788 6.891,789 6.957,790 7.136,791 7.071,792 7.072,793 0.984,794 487,795 127.046,796 58.986,797 8.336,798 220.504,799 176.302,800 2.836,801 913.333,804 3178.2,805 659.727,806 1151.89,808 1802.2,810 32.22,811 627.508,812 4980.4,813 1151.89,814 245.471,815 1277.57,816 128.05,817 1893.14,818 33.571,819 3.798,820 3210.42,822 3178.2,823 1779.4,824 1802.2,825 32.22,826 2236.51,827 2615.84,828 128.05,829 1549.42,830 229.977,832 32.22,833 3178.2,834 2954.09,835 659.727,836 3178.2,837 414.256,838 251.72,839 684.409,840 2263.43,841 3178.2,842 2954.09,843 659.727,844 0.574,845 0.312,846 0.157,847 0.091,848 118,849 109,850 0.244,851 163,853 1,854 18.002,855 5941.55,857 15,858 2650.55,859 1,860 296.069,861 157.294,862 115.83,864 2954.09,871 1581.59,872 6792.01,873 379,874 750.085,875 7.908,876 -66.446,877 676.745,878 767.932,879 0.176,880 0.342,881 0.525,882 0.655,883 0.74,884 0.79,885 7.215,886 2.986,887 8.131,888 9.587,889 6.77,890 6.999,891 5.954,892 8.903,893 6.741,894 8.369,895 2.98,896 9.685,897 9.391,898 6.485,899 6.893,900 5.51,901 9.777,902 6.467,903 9.642,904 2.961,905 11.335,906 9.38,907 8.34,908 8.787,909 7.187,910 12.815,911 8.277,912 10.935,913 2.955,914 13.04,915 9.339,916 8.798,917 9.416,918 7.277,919 14.461,920 8.743,921 12.255,922 2.95,923 14.778,924 9.299,925 10.174,926 10.836,927 8.65,928 17.036,929 10.076,930 13.59,931 2.92,932 16.54,933 9.283,934 10.96,935 11.766,936 8.869,937 19.013,938 10.86,939 14.937,940 2.914,941 18.319,942 9.252,943 12.155,944 13.021,945 10.293,946 21.411,947 12.018,948 3.222,949 2.902,950 20.111,951 9.194,952 13.095,953 14.081,954 10.428,955 23.546,956 12.948,957 3.047,958 11.262,959 21.912,960 9.156,961 14.218,962 15.276,963 12.096,964 25.877,965 14.04,966 3.042,967 10.014,968 23.721,969 3.486,970 15.233,971 16.396,972 11.99,973 28.093,974 15.038,975 3.038,976 9.912,977 25.537,978 3.338,979 16.33,980 17.572,981 14.027,982 30.403,983 16.106,984 3.002,985 9.854,986 27.357,987 3.334,988 17.382,989 18.72,990 13.571,991 32.667,992 17.137,993 2.998,994 9.842,995 29.182,996 3.329,997 18.471,998 19.892,999 16.049,1000 34.979,1001 18.199,1002 2.989,1003 9.781,1004 31.011,1005 3.313,1006 19.543,1007 21.055,1008 15.174,1009 37.275,1010 19.247,1011 8623720,1012 15072000,1013 194.609,1014 398.452,1015 479.529,1016 513.276,1017 504.011,1018 472.014,1019 472.199,1020 530.808,1021 244.066,1022 1310.07,1023 466.038,1024 5.334,1025 5.925,1026 6.749,1027 5.254,1028 5.222,1029 5.821,1030 5.9,1031 18.882,1032 5.031,1033 342.725,1034 1.48,1035 1.584,1036 1.556,1037 1.457,1038 1.457,1039 1.638,1040 0.753,1041 4.043,1042 1.438,1043 4.413,1044 4.474,1045 4.293,1046 4.208,1047 7.571,1048 4.217,1049 3.941,1050 3.99,1051 3.87,1052 3.766,1053 7.472,1054 3.781,1055 3.887,1056 3.934,1057 3.857,1058 3.713,1059 7.472,1060 3.726,1061 3.885,1062 3.932,1063 3.812,1064 3.709,1065 7.472,1066 3.722,1067 3.882,1068 3.929,1069 3.811,1070 3.704,1071 7.472,1072 3.717,1073 3.878,1074 3.925,1075 3.804,1076 3.7,1077 7.472,1078 3.715,1079 3.871,1080 3.918,1081 3.802,1082 3.693,1083 7.472,1084 3.705,1085 3.868,1086 3.915,1087 3.796,1088 3.691,1089 7.471,1090 3.704,1091 0.013,1092 0.013,1093 0.021,1094 0.013,1095 0.01,1096 4.334,1097 0.011,1098 4.093,1099 0.009,1100 6.84,1101 0.035,1102 4.186,1103 0.01,1104 3.222,1105 3.486,1106 2.95,1107 11.262,1108 3.101,1109 1.835,1110 1.788,1111 2.032,1112 2.036,1113 1.34,1114 2.027,1115 1.834,1116 1.785,1117 2.029,1118 2.032,1119 1.34,1120 2.026,1121 1.831,1122 1.783,1123 2.022,1124 2.032,1125 1.338,1126 2.023,1127 1.824,1128 1.777,1129 2.02,1130 2.027,1131 1.335,1132 2.017,1133 1.82,1134 1.773,1135 2.015,1136 2.025,1137 1.334,1138 2.016,1139 1.814,1140 1.766,1141 2.012,1142 2.017,1143 1.33,1144 2.008,1145 1.809,1146 1.76,1147 2.012,1148 2.012,1149 1.328,1150 2.003,1151 1.805,1152 1.758,1153 2.011,1154 2.009,1155 1.326,1156 2,1157 6.475,1159 7.779,1160 3.434,1161 9.229,1162 5.687,1163 10.754,1164 7.687,1165 12.324,1166 42.642,1169 74.322,1170 113.679,1171 -24.571,1172 91.702,1174 1.165,1175 -79.751,1176 2.597,1178 381.497,1179 1100.05,1180 2137.65,1181 3285.68,1182 4101.51,1183 4632.48,1184 4945.75,1185 14613,1186 11.224,1187 1953.84,1188 1979.14,1189 15,1190 14.639,1191 5.807,1192 5.807,1193 3266.63,1194 9720,1195 10998,1196 0.152,1197 2405.81,1198 4506.95,1199 5861.94,1200 3697200,1202 244.299,1203 0.759,1204 0.587,1205 244.652,1206 188.974,1207 151.034,1208 0.466,1209 0.34,1210 106.921,1211 142.825,1212 104.188,1213 86.844,1214 151.638,1215 110.03,1216 137.883,1217 0.317,1218 0.195,1219 138.31,1220 84.697,1221 97.972,1222 0.195,1223 0.107,1224 98.251,1225 53.751,1226 73.582,1227 0.124,1228 0.058,1229 73.815,1230 34.622,1231 58.081,1232 0.084,1233 0.032,1234 58.354,1235 21.957,1236 0.257,1237 971.004,1238 0.072,1239 171.263,1240 0.372,1241 1518,1242 5502.78,1243 1772.65,1244 5134.5,1245 6443.36,1246 4688,1247 1696,1248 4226.81,1249 1921.74,1250 4180.49,1251 6012.86,1252 3915,1253 8.796} {0 CHEMBL440057,1 1.674,2 94.661,3 -11.251,4 126.594,5 1183.39,6 7.04,7 0.047,8 6.569,9 6.712,10 6.026,11 5.951,12 7.728,13 5.939,14 7.142,15 7.34,16 6.385,17 6.354,18 8.319,19 6.299,20 7.513,21 7.744,22 6.529,23 6.555,24 8.665,25 6.49,26 7.654,27 7.893,28 6.66,29 6.638,30 8.841,31 6.6,32 7.711,33 7.923,34 6.85,35 6.729,36 9.151,37 6.706,38 7.823,39 8.039,40 6.897,41 6.862,42 9.128,43 6.817,44 7.953,45 8.179,46 6.959,47 6.975,48 9.193,49 6.921,50 8.049,51 8.277,52 7.066,53 7.058,54 9.388,55 6.993,56 1.866,57 9.478,58 155.325,59 55.984,60 315.26,61 81.034,62 5.982,63 14.17,64 296.285,65 93.804,66 957.4,67 142.249,68 11.276,69 17.282,70 445.06,71 118.703,72 1652.28,73 185.097,74 12.764,75 18.81,76 521.599,77 121.981,78 2106.58,79 198.534,80 17.98,81 20.574,82 551.673,83 133.442,84 3211.15,85 211.449,86 18.066,87 23.226,88 612.182,89 160.104,90 2849.26,91 244.445,92 17.925,93 25.813,94 699.915,95 180.034,96 3189.61,97 279.617,98 22.316,99 28.074,100 778.39,101 201.642,102 3998.19,103 314.235,104 13285,105 454,106 0.175,107 0.363,108 0.54,109 0.665,110 0.752,111 0.806,112 5.811,113 1.008,114 -17.68,115 -16.95,116 -15.37,117 30.8,118 27,119 48,120 11,121 2,122 11,124 42,127 5,128 1,130 2,134 2,138 52,139 3,140 2,143 12,144 12,145 12,147 8,149 8,150 55,151 7,152 2,153 20,154 10,155 58,156 3,157 48,158 1,159 6,160 39,161 7,162 5,163 3,164 3,165 51,166 1,167 41,168 42,169 77,170 1,171 2,172 8,173 2,174 4,177 73,178 2,180 8,181 6,182 59,183 7,184 1,185 1,186 1,187 7,190 46,191 55,192 8,193 1,194 59,195 13,196 66,197 6,198 4,199 35,200 1,201 7,203 19,204 64,205 6,206 5,207 67,208 50,209 72,210 1,211 5,212 56,213 4,215 1,217 12,218 80,219 2,220 4,221 20,222 13,223 59,224 7,225 8,226 60,227 15,228 1,229 1,231 45,232 81,233 9,234 9,235 67,236 20,237 91,238 6,239 12,240 67,241 14,243 8,246 20,247 86,248 5,249 12,250 74,251 49,252 94,253 1,254 4,255 68,256 6,257 1,258 7,261 1284250,262 212.021,263 212.021,264 212.021,265 212.021,266 212.021,267 201.242,268 228.662,269 126.086,270 214.719,271 165.217,272 165.217,273 165.217,274 165.217,275 165.217,276 146.733,277 215.633,278 59.184,279 168.755,280 7.727,281 5.94,282 4.251,283 3.059,284 2.229,285 1.715,286 6.48,291 63614,292 20.433,294 6073.88,295 1815.06,298 15.223,299 905.279,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 759.5,310 31522,311 4.353,312 4.093,313 6.868,314 4.205,315 3.241,316 3.509,317 2.95,318 11.361,319 3.12,320 4.177,321 4.093,322 6.553,323 4.029,324 3.046,325 3.508,326 2.95,327 10.246,328 2.988,329 4.172,330 4.011,331 6.469,332 4.023,333 3.045,334 3.507,335 2.376,336 9.946,337 2.974,338 4.17,339 3.888,340 6.403,341 4.01,342 3.03,343 3.474,344 2.341,345 9.734,346 2.967,347 4.161,348 3.88,349 6.402,350 4.007,351 3.023,352 3.332,353 2.341,354 9.719,355 2.96,356 4.145,357 3.879,358 6.401,359 3.97,360 2.987,361 3.326,362 2.341,363 9.712,364 2.927,365 4.134,366 3.875,367 6.293,368 3.965,369 2.982,370 3.325,371 2.341,372 9.37,373 2.923,374 4.13,375 3.875,376 6.246,377 3.959,378 2.976,379 3.312,380 2.341,381 9.364,382 2.917,383 4.121,384 3.87,385 6.246,386 3.947,387 2.965,388 3.304,389 2.341,390 9.304,391 2.905,392 4.113,393 3.862,394 6.226,395 3.946,396 2.963,397 3.302,398 2.341,399 9.277,400 2.901,401 4.105,402 3.857,403 6.22,404 3.934,405 2.951,406 3.289,407 2.038,408 9.271,409 2.893,410 4.095,411 3.849,412 6.218,413 3.923,414 2.938,415 3.28,416 2.013,417 9.238,418 2.883,419 4.083,420 3.842,421 6.207,422 3.914,423 2.929,424 3.269,425 2.012,426 9.212,427 2.875,428 4.074,429 3.835,430 6.193,431 3.9,432 2.915,433 3.265,434 2.011,435 9.161,436 2.861,437 4.062,438 3.824,439 6.181,440 3.89,441 2.905,442 3.259,443 2.01,444 9.136,445 2.852,446 150.6,447 0.452,448 10.508,449 0.032,450 308,451 0.925,452 96.5,453 0.29,454 211.5,455 0.635,456 901.045,457 2.706,458 409.2,459 0.605,460 721.741,461 2.167,462 58.568,463 0.176,464 97.768,465 0.294,466 0.27,468 0.374,471 0.814,472 1.622,473 0.903,474 1.323,475 0.675,476 1.158,477 0.516,478 1.477,479 0.911,480 1.378,481 0.495,482 1.215,483 0.941,484 1.067,485 1.007,486 1.073,487 0.97,488 1.075,489 1.228,490 1.06,491 0.976,492 0.92,493 1.187,494 0.9,495 1.03,496 1.111,497 0.947,498 0.995,499 1.04,500 0.97,501 1.071,502 1.007,503 1.029,504 1.025,505 1.117,506 1.043,507 1.163,508 1.09,509 1.034,510 1.034,511 1.152,512 1.02,513 0.929,514 1.114,515 0.988,516 1.097,517 0.931,518 1.057,519 86,520 6.95,521 41.556,522 23.118,523 24.631,524 15.976,525 11.746,526 12.385,527 8.755,528 6.495,529 9792600,530 30377000,531 1.844,532 50.7,533 81,534 75,535 2,536 2,537 76,538 26,539 77,540 4,541 2.206,542 1.664,543 6.43,544 56.936,547 1131.46,548 1.674,549 3.461,550 5.15,551 6.341,552 7.172,553 7.686,554 5.919,555 8.171,556 8.349,557 6.702,558 370482,559 15.427,560 37404300,563 6354.99,564 1.584,565 8.258,566 0.255,567 0.008,568 0.092,569 0.046,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.518,577 0.17,578 0.25,579 2.276,580 3185.2,581 -0.124,582 -0.111,583 -0.01,584 0.012,585 -0.069,586 0.024,587 0.179,588 -0.179,589 0.034,590 -0.152,591 0.121,592 -0.091,593 -0.013,594 0.041,595 -0.046,596 -0.041,597 -0.081,598 -0.054,599 -0.169,600 -0.023,601 0.012,602 0.052,603 -0.131,604 0.082,605 0.105,606 -0.021,607 0.054,608 0.015,609 0.123,610 0.022,611 0.004,612 0.097,613 -0.044,614 0.003,615 -0.029,616 -0.036,617 -0.113,618 -0.025,619 -0.046,621 -0.076,622 -0.006,623 0.082,624 -0.055,625 0.011,626 -0.05,627 0.092,628 -0.037,629 3.505,630 8.477,631 0.078,632 2619.25,633 1.016,634 1.15,635 -22.447,636 503.889,637 0.603,638 5.823,639 6.12,640 6.265,641 6.43,642 6.589,643 6.646,644 6.736,645 6.839,646 6.838,647 6.866,648 52.556,649 0.579,650 4759.24,651 5.823,652 7.367,653 8.172,654 9.027,655 9.858,656 10.715,657 11.559,658 12.417,659 13.268,660 14.128,661 8.7,662 8,667 44,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 676,687 71,688 1,689 337,690 680,691 208,692 12,693 1,694 5,696 5,697 5,699 3,701 31,702 6,705 90,706 67,707 141,708 11,709 55,710 52,711 3,712 55,716 343,717 121,718 76,719 125,720 2,721 2,722 59,725 1,726 64,727 3,728 1,733 2,735 4,736 1,740 4,741 38,742 2,743 8,744 8,747 12,749 5,750 2,751 2,752 29,755 333,756 12,757 12,758 59,759 38,761 2,762 53,763 2,768 9.5,769 4,770 8,771 52,774 200.167,775 120.467,776 75.639,777 40.536,778 0.56,779 1.049,780 0.867,781 143.851,782 11.954,783 5.994,784 6.382,785 6.577,786 6.803,787 7.053,788 7.034,789 7.152,790 7.354,791 7.329,792 7.359,793 0.984,794 502,795 130.852,796 60.535,797 8.318,798 227.499,799 181.659,800 2.818,801 938.5,804 3142.88,805 764.585,806 1202.92,808 1819.74,810 64.439,811 700.146,812 4962.62,813 1202.92,814 252.661,815 1221.52,816 236.209,817 1937.64,818 92.627,819 29.239,820 3160.24,822 3142.88,823 1903.07,824 1819.74,825 64.439,826 2189.43,827 2602.46,828 170.733,829 1566.47,830 303.023,831 33.571,832 64.439,833 3142.88,834 3022.66,835 764.585,836 3142.88,837 429.21,838 341.623,839 717.98,840 2298.43,841 3142.88,842 3022.66,843 764.585,844 0.576,845 0.313,846 0.156,847 0.09,848 128,849 113,850 0.24,851 163,853 1,854 18.631,855 6200.35,857 26,858 2743.58,859 2,860 301.53,861 158.864,862 116.449,864 2989.09,865 12.727,866 8.354,867 5.377,869 0.436,871 1624.95,872 6930.13,873 400,874 739.195,875 11.821,876 -64.968,877 686.577,878 777.6,879 0.178,880 0.368,881 0.548,882 0.675,883 0.763,884 0.818,885 7.266,886 2.976,887 8.173,888 9.37,889 6.812,890 7.074,891 5.992,892 8.943,893 6.776,894 8.425,895 2.965,896 9.725,897 9.364,898 6.521,899 6.939,900 5.497,901 9.806,902 6.497,903 9.699,904 2.963,905 11.374,906 9.304,907 8.381,908 8.897,909 7.288,910 12.844,911 8.309,912 10.993,913 2.951,914 13.075,915 9.277,916 8.834,917 9.492,918 7.266,919 14.478,920 8.771,921 12.314,922 2.938,923 14.811,924 9.271,925 10.212,926 10.977,927 8.852,928 17.053,929 10.104,930 13.649,931 2.929,932 16.571,933 9.238,934 10.991,935 11.875,936 8.861,937 19.021,938 10.884,939 14.998,940 2.915,941 18.347,942 9.212,943 12.187,944 13.19,945 10.618,946 21.421,947 12.042,948 3.241,949 2.905,950 20.135,951 9.161,952 13.122,953 14.225,954 10.421,955 23.552,956 12.968,957 3.046,958 11.361,959 21.934,960 9.136,961 14.244,962 15.474,963 12.538,964 25.886,965 14.058,966 3.045,967 10.246,968 23.74,969 3.509,970 15.256,971 16.576,972 11.986,973 28.104,974 15.053,975 3.03,976 9.946,977 25.553,978 3.508,979 16.352,980 17.799,981 14.559,982 30.42,983 16.12,984 3.023,985 9.734,986 27.372,987 3.507,988 17.401,989 18.937,990 13.568,991 32.69,992 17.148,993 2.987,994 9.719,995 29.194,996 3.474,997 18.49,998 20.152,999 16.642,1000 35.011,1001 18.209,1002 2.982,1003 9.712,1004 31.021,1005 3.332,1006 19.561,1007 21.312,1008 15.173,1009 37.316,1010 19.255,1011 9748000,1012 17170000,1013 203.855,1014 407.838,1015 501.329,1016 536.357,1017 522.837,1018 492.137,1019 492.652,1020 562.611,1021 249.192,1022 1367.75,1023 484.03,1024 5.353,1025 6.093,1026 6.777,1027 5.273,1028 5.241,1029 6.509,1030 5.9,1031 19.072,1032 5.12,1033 350.658,1034 1.488,1035 1.592,1036 1.551,1037 1.46,1038 1.462,1039 1.669,1040 0.739,1041 4.059,1042 1.436,1043 4.428,1044 4.489,1045 4.315,1046 4.225,1047 7.57,1048 4.234,1049 3.948,1050 3.997,1051 3.877,1052 3.848,1053 7.472,1054 3.843,1055 3.932,1056 3.988,1057 3.87,1058 3.769,1059 7.472,1060 3.785,1061 3.917,1062 3.975,1063 3.865,1064 3.738,1065 7.472,1066 3.76,1067 3.909,1068 3.951,1069 3.864,1070 3.731,1071 7.472,1072 3.752,1073 3.884,1074 3.931,1075 3.841,1076 3.71,1077 7.472,1078 3.722,1079 3.878,1080 3.925,1081 3.836,1082 3.702,1083 7.472,1084 3.715,1085 3.876,1086 3.923,1087 3.805,1088 3.698,1089 7.471,1090 3.711,1091 0.013,1092 0.012,1093 0.02,1094 0.012,1095 0.01,1096 4.353,1097 0.01,1098 4.093,1099 0.009,1100 6.868,1101 0.034,1102 4.205,1103 0.009,1104 3.241,1105 3.509,1106 2.95,1107 11.361,1108 3.12,1109 1.927,1110 1.897,1111 2.057,1112 2.041,1113 1.342,1114 2.041,1115 1.831,1116 1.784,1117 2.028,1118 2.031,1119 1.336,1120 2.023,1121 1.831,1122 1.783,1123 2.026,1124 2.03,1125 1.331,1126 2.022,1127 1.822,1128 1.773,1129 2.022,1130 2.024,1131 1.324,1132 2.013,1133 1.821,1134 1.772,1135 2.021,1136 2.021,1137 1.32,1138 2.013,1139 1.82,1140 1.771,1141 2.019,1142 2.018,1143 1.317,1144 2.012,1145 1.816,1146 1.768,1147 2.017,1148 2.016,1149 1.317,1150 2.012,1151 1.806,1152 1.757,1153 2.013,1154 2.009,1155 1.312,1156 1.996,1157 6.515,1159 7.82,1160 3.714,1161 9.272,1162 5.9,1163 10.797,1164 7.832,1165 12.366,1166 43.533,1169 67.846,1170 122.891,1171 -24.406,1172 92.636,1174 2.35,1175 -81.531,1176 2.24,1178 391.19,1179 1131.46,1180 2339.51,1181 3481.13,1182 4286.77,1183 4848.14,1184 5195.73,1185 10199.8,1186 11.393,1187 2000.7,1188 2051.3,1189 26,1190 14.681,1191 6.17,1192 6,1193 2343.7,1194 10706,1195 10678,1196 0.099,1197 2466.4,1198 4597.36,1199 6009.77,1200 4568000,1202 251.558,1203 0.755,1204 0.584,1205 252.265,1206 194.619,1207 156.336,1208 0.464,1209 0.336,1210 108.833,1211 147.298,1212 105.846,1213 88.15,1214 157.543,1215 113.288,1216 143.424,1217 0.316,1218 0.192,1219 144.278,1220 87.308,1221 102.643,1222 0.196,1223 0.104,1224 103.201,1225 54.741,1226 76.763,1227 0.124,1228 0.057,1229 77.229,1230 35.542,1231 60.159,1232 0.083,1233 0.032,1234 60.706,1235 22.88,1236 0.169,1237 1010.81,1238 0.07,1239 175.587,1240 0.242,1241 1582,1242 5726.34,1243 1860,1244 5377.65,1245 6776.48,1246 4918,1247 1770,1248 4460.63,1249 2014.62,1250 4430.29,1251 6365.72,1252 4145,1253 8.208} {0 CHEMBL441376,1 1.622,2 77.257,3 -5.676,4 32.218,5 1029.93,6 6.809,7 0.038,8 6.442,9 6.589,10 5.859,11 5.822,12 7.58,13 5.806,14 7.019,15 7.223,16 6.222,17 6.227,18 8.173,19 6.165,20 7.402,21 7.641,22 6.373,23 6.442,24 8.513,25 6.366,26 7.548,27 7.796,28 6.512,29 6.534,30 8.684,31 6.485,32 7.611,33 7.829,34 6.714,35 6.629,36 9.021,37 6.598,38 7.736,39 7.959,40 6.769,41 6.76,42 9.025,43 6.712,44 7.853,45 8.08,46 6.837,47 6.883,48 9.074,49 6.827,50 7.973,51 8.205,52 6.96,53 6.993,54 9.272,55 6.924,56 1.374,57 8.307,58 139.619,59 50.033,60 249.973,61 73.713,62 4.752,63 12.408,64 258.411,65 83.297,66 808.048,67 128.54,68 9.085,69 15.353,70 396.177,71 106.682,72 1381.76,73 168.995,74 10.044,75 16.881,76 464.365,77 111.057,78 1691.81,79 183.383,80 14.841,81 18.556,82 495.739,83 121.506,84 2705.49,85 195.717,86 15.718,87 20.958,88 560.912,89 144.015,90 2559.68,91 224.989,92 14.817,93 23.525,94 626.555,95 162.938,96 2716.74,97 256.591,98 18.608,99 26.233,100 706.158,101 187.702,102 3425.24,103 297.111,104 10157,105 388,106 0.173,107 0.354,108 0.533,109 0.662,110 0.741,111 0.794,112 5.667,113 1.011,114 -13.1,115 -12.6,116 -11.48,117 30.8,118 25,119 53,120 10,122 8,124 31,125 2,127 5,128 1,130 1,134 1,138 45,139 2,140 1,143 12,144 12,145 12,147 7,149 7,150 60,151 7,153 15,154 8,155 50,156 2,157 51,159 4,160 44,161 5,162 7,163 2,165 44,167 33,168 34,169 78,170 2,171 1,172 11,174 7,177 65,178 2,180 5,181 4,182 64,183 7,184 1,185 7,187 10,190 37,191 57,192 7,193 2,194 51,195 12,196 66,197 5,198 3,199 36,200 1,201 5,203 14,204 63,205 5,206 3,207 54,208 47,209 70,210 1,211 7,212 61,213 4,215 2,217 10,218 74,219 2,220 6,221 18,222 12,223 63,224 7,225 9,226 77,227 13,228 3,231 36,232 83,233 6,234 10,235 60,236 16,237 90,238 5,239 7,240 74,241 19,243 7,246 14,247 95,248 5,249 7,250 57,251 45,252 107,253 1,254 7,255 81,256 10,258 14,261 809638,262 183.347,263 183.347,264 183.347,265 183.347,266 183.347,267 174.444,268 190.802,269 110.144,270 184.788,271 142.326,272 142.326,273 142.326,274 142.326,275 142.326,276 127.035,277 178.818,278 51.847,279 144.269,280 7.607,281 5.916,282 4.247,283 3.035,284 2.298,285 1.797,286 6.334,291 44637,292 18.547,294 1323.08,295 1574.75,298 12.559,299 779.003,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 654,310 22250,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.501,335 2.341,336 9.912,337 2.992,338 4.142,339 3.878,340 6.418,341 3.986,342 3.001,343 3.473,344 2.341,345 9.781,346 2.95,347 4.14,348 3.872,349 6.337,350 3.973,351 2.989,352 3.338,353 2.341,354 9.418,355 2.932,356 4.138,357 3.866,358 6.25,359 3.966,360 2.982,361 3.313,362 2.341,363 9.375,364 2.924,365 4.133,366 3.863,367 6.244,368 3.961,369 2.978,370 3.308,371 2.341,372 9.344,373 2.919,374 4.119,375 3.856,376 6.239,377 3.95,378 2.965,379 3.299,380 2.013,381 9.342,382 2.91,383 4.106,384 3.846,385 6.225,386 3.936,387 2.951,388 3.287,389 2.012,390 9.278,391 2.897,392 4.091,393 3.832,394 6.212,395 3.924,396 2.939,397 3.282,398 2.011,399 9.244,400 2.886,401 4.083,402 3.821,403 6.212,404 3.909,405 2.924,406 3.274,407 2.009,408 9.238,409 2.873,410 4.076,411 3.815,412 6.188,413 3.902,414 2.916,415 3.255,416 2.007,417 9.154,418 2.867,419 4.056,420 3.806,421 6.178,422 3.892,423 2.904,424 3.24,425 2.005,426 9.148,427 2.864,428 4.031,429 3.787,430 6.159,431 3.877,432 2.888,433 3.221,434 2.002,435 9.066,436 2.846,437 4.006,438 3.767,439 6.137,440 3.856,441 2.868,442 3.196,443 1.999,444 8.986,445 2.823,446 130.167,447 0.452,448 8.974,449 0.031,450 260.75,451 0.905,452 80.5,453 0.28,454 180.25,455 0.626,456 783.02,457 2.719,458 355.833,459 0.593,460 602.089,461 2.091,462 49.391,463 0.171,464 85.807,465 0.298,466 0.269,467 0.008,468 0.346,471 0.801,472 1.618,473 0.939,474 1.366,475 0.665,476 1.187,477 0.484,478 1.486,479 0.867,480 1.381,481 0.475,482 1.232,483 0.932,484 1.083,485 1.016,486 1.091,487 0.956,488 1.074,489 1.192,490 1.061,491 0.979,492 0.933,493 1.141,494 0.896,495 1.014,496 1.141,497 0.966,498 1.035,499 1.017,500 0.989,501 1.112,502 0.994,503 1.055,504 1.01,505 1.145,506 1.017,507 1.197,508 1.1,509 1.072,510 1.052,511 1.182,512 1.032,513 0.923,514 1.138,515 0.988,516 1.114,517 0.927,518 1.073,519 76,520 6.229,521 34.889,522 20.285,523 21.786,524 14.285,525 10.239,526 10.753,527 8.246,528 5.777,529 5951680,530 17657100,531 1.837,532 52,533 90,534 52,535 1,536 1,537 67,538 27,539 74,541 2.184,542 1.66,543 6.146,544 49.998,547 973.168,548 1.622,549 3.313,550 4.981,551 6.194,552 6.931,553 7.432,554 5.656,555 7.931,556 8.139,557 6.408,558 264814,559 15.019,560 22434800,563 5537.29,564 1.629,565 8.049,566 0.262,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.015,574 0.011,575 0.008,576 0.523,577 0.17,578 0.38,579 2.32,580 2657.14,581 -0.116,582 -0.086,583 -0.019,584 0.008,585 -0.064,586 0.023,587 0.197,588 -0.184,589 0.059,590 -0.15,591 0.132,592 -0.093,593 -0.011,594 0.028,595 -0.032,596 -0.035,597 -0.078,598 -0.043,599 -0.155,600 -0.016,601 0.031,602 0.062,603 -0.122,604 0.095,605 0.12,606 -0.036,607 0.06,608 -0.002,609 0.131,610 0.015,611 0.001,612 0.107,613 -0.033,614 0.024,615 -0.024,616 -0.011,617 -0.122,618 -0.01,619 -0.062,620 0.003,621 -0.083,622 -0.01,623 0.082,624 -0.057,625 0.007,626 -0.052,627 0.085,628 -0.042,629 3.477,630 8.524,631 0.101,632 1863.07,633 1.012,634 1.151,635 -17.874,636 319.487,637 0.599,638 5.673,639 5.964,640 6.091,641 6.258,642 6.428,643 6.482,644 6.571,645 6.676,646 6.696,647 6.707,648 43.087,649 0.572,650 4085.47,651 5.673,652 7.213,653 8.011,654 8.865,655 9.692,656 10.548,657 11.389,658 12.247,659 13.096,660 13.956,661 8.3,662 8,667 38,668 1,669 2,670 1,673 7,674 1,675 1,677 2,679 11,686 600,687 58,688 1,689 290,690 602,691 185,692 9,693 1,694 5,696 3,697 3,699 2,701 30,702 9,705 84,706 56,707 129,708 12,709 47,710 45,711 2,712 47,716 312,717 102,718 67,719 103,721 1,722 50,725 1,726 53,727 1,735 1,736 1,740 4,741 34,743 7,744 8,747 8,749 3,752 25,755 288,756 12,757 8,758 61,759 34,762 41,764 2,768 8.8,769 1,770 7,771 45,774 173.5,775 106.7,776 65.694,777 36.978,778 0.531,779 1.048,780 0.869,781 128.461,782 11.607,783 5.839,784 6.216,785 6.387,786 6.61,787 6.888,788 6.858,789 6.964,790 7.161,791 7.16,792 7.184,793 1,794 433,795 113.291,796 52.166,797 8.284,798 197.827,799 157.722,800 2.784,801 801.833,804 2883.92,805 629.634,806 1074.27,808 1472.99,811 629.634,812 4356.91,813 1074.27,814 220.63,815 1156.2,816 99.112,817 1652.63,818 56.299,819 15.569,820 2860.38,822 2883.92,823 1703.91,824 1472.99,826 2012.86,827 2301.37,828 42.683,829 1438.56,830 248.558,831 16.786,833 2883.92,834 2547.26,835 629.634,836 2883.92,837 343.956,838 285.677,839 629.151,840 1918.11,841 2883.92,842 2547.26,843 629.634,844 0.572,845 0.306,846 0.155,847 0.091,848 105,849 94,850 0.231,851 139,853 1,854 16.264,855 5267.23,857 29,858 2318.94,860 263.311,861 140.505,862 106.645,864 2530.48,865 10.761,866 4.271,867 2.773,869 0.611,871 1365.38,872 6060.82,873 342.5,874 643.711,875 8.018,876 -55.777,877 607.188,878 690.404,879 0.176,880 0.359,881 0.54,882 0.671,883 0.751,884 0.805,885 7.108,886 2.965,887 8.014,888 9.344,889 6.655,890 6.908,891 5.744,892 8.786,893 6.629,894 8.266,895 2.951,896 9.567,897 9.342,898 6.378,899 6.787,900 5.35,901 9.735,902 6.362,903 9.542,904 2.939,905 11.221,906 9.278,907 8.234,908 8.726,909 6.902,910 12.762,911 8.175,912 10.839,913 2.924,914 12.936,915 9.244,916 8.71,917 9.336,918 7.115,919 14.555,920 8.659,921 12.164,922 2.916,923 14.691,924 9.238,925 10.094,926 10.811,927 8.224,928 17.165,929 10.003,930 13.506,931 2.904,932 16.477,933 9.154,934 10.911,935 11.728,936 8.706,937 19.351,938 10.819,939 14.863,940 2.888,941 18.287,942 9.148,943 12.124,944 13.041,945 9.638,946 21.857,947 12,948 3.451,949 2.868,950 20.117,951 9.066,952 13.108,953 14.096,954 10.264,955 24.241,956 12.973,957 3.45,958 13.16,959 21.965,960 8.986,961 14.263,962 15.35,963 11.117,964 26.747,965 14.101,966 3.047,967 13.158,968 23.828,969 3.651,970 15.332,971 16.473,972 11.825,973 29.231,974 15.154,975 3.001,976 9.912,977 25.706,978 3.65,979 16.476,980 17.709,981 12.648,982 31.761,983 16.274,984 2.989,985 9.781,986 27.598,987 3.501,988 17.592,989 18.871,990 13.404,991 34.293,992 17.371,993 2.982,994 9.418,995 29.503,996 3.473,997 18.743,998 20.103,999 14.219,1000 36.844,1001 18.499,1002 2.978,1003 9.375,1004 31.419,1005 3.338,1006 19.889,1007 21.289,1008 15.005,1009 39.399,1010 19.625,1011 5965250,1012 10277000,1013 175.121,1014 359.117,1015 428.486,1016 453.27,1017 446.961,1018 421.269,1019 421.356,1020 479.228,1021 201.665,1022 1163.24,1023 416.591,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 295.075,1034 1.478,1035 1.563,1036 1.541,1037 1.453,1038 1.453,1039 1.653,1040 0.695,1041 4.011,1042 1.437,1043 4.361,1044 4.421,1045 4.241,1046 4.165,1047 7.551,1048 4.173,1049 3.933,1050 3.986,1051 3.866,1052 3.846,1053 7.472,1054 3.841,1055 3.91,1056 3.951,1057 3.84,1058 3.745,1059 7.472,1060 3.764,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.739,1067 3.886,1068 3.933,1069 3.812,1070 3.712,1071 7.472,1072 3.724,1073 3.881,1074 3.93,1075 3.806,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.926,1081 3.801,1082 3.703,1083 7.472,1084 3.716,1085 3.87,1086 3.917,1087 3.793,1088 3.694,1089 7.461,1090 3.707,1091 0.016,1092 0.014,1093 0.026,1094 0.015,1095 0.012,1096 4.526,1097 0.013,1098 4.079,1099 0.008,1100 7.463,1101 0.045,1102 4.434,1103 0.012,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.927,1110 1.897,1111 2.057,1112 2.044,1113 1.347,1114 2.042,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.346,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.036,1125 1.341,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.031,1131 1.34,1132 2.025,1133 1.833,1134 1.783,1135 2.028,1136 2.028,1137 1.34,1138 2.024,1139 1.822,1140 1.774,1141 2.017,1142 2.025,1143 1.338,1144 2.018,1145 1.818,1146 1.769,1147 2.014,1148 2.018,1149 1.334,1150 2.012,1151 1.812,1152 1.763,1153 2.014,1154 2.012,1155 1.334,1156 2.008,1157 6.365,1159 7.665,1160 2.398,1161 9.113,1162 4.443,1163 10.635,1164 6.26,1165 12.205,1166 39.567,1169 69.211,1170 81.659,1171 -22.697,1172 84.779,1175 -61.171,1177 -3.881,1178 342.965,1179 973.168,1180 1987.72,1181 2988.8,1182 3716.19,1183 4158.69,1184 4459.02,1185 11391.8,1186 11.076,1187 1704.65,1188 1704.65,1189 29,1190 14.509,1191 5.883,1192 5.741,1193 2669.15,1194 7562,1195 7742,1196 0.161,1197 2162.46,1198 4028.77,1199 5268.17,1200 2706040,1202 217.915,1203 0.757,1204 0.587,1205 217.915,1206 169.065,1207 135.198,1208 0.466,1209 0.337,1210 96.159,1211 128.613,1212 93.712,1213 78.318,1214 135.198,1215 97.728,1216 123.797,1217 0.319,1218 0.195,1219 123.797,1220 75.745,1221 86.448,1222 0.196,1223 0.106,1224 86.448,1225 46.87,1226 65.303,1227 0.125,1228 0.059,1229 65.303,1230 30.879,1231 51.799,1232 0.084,1233 0.032,1234 51.799,1235 19.637,1236 0.27,1237 861.372,1238 0.076,1239 157.499,1240 0.398,1241 1356,1242 4781.63,1243 1560.67,1244 4468.1,1245 5630,1246 4080,1247 1507,1248 3730.52,1249 1689.77,1250 3695.82,1251 5299.05,1252 3460,1253 7.092} {0 CHEMBL441744,1 1.637,2 71.992,3 -6.766,4 45.775,5 918.819,6 6.875,7 0.062,8 6.32,9 6.47,10 5.749,11 5.699,12 7.465,13 5.687,14 6.892,15 7.095,16 6.106,17 6.101,18 8.047,19 6.043,20 7.266,21 7.507,22 6.245,23 6.304,24 8.389,25 6.232,26 7.402,27 7.648,28 6.369,29 6.39,30 8.542,31 6.343,32 7.466,33 7.687,34 6.573,35 6.482,36 8.865,37 6.453,38 7.582,39 7.803,40 6.629,41 6.61,42 8.88,43 6.564,44 7.705,45 7.936,46 6.689,47 6.731,48 8.924,49 6.675,50 7.815,51 8.049,52 6.817,53 6.836,54 9.114,55 6.769,56 1.25,57 7.427,58 122.294,59 42.806,60 220.791,61 63.943,62 4.182,63 10.997,64 226.05,65 72.318,66 682.174,67 112.025,68 8.101,69 13.387,70 345.759,71 91.775,72 1215.13,73 146.204,74 8.77,75 14.615,76 401.042,77 94.661,78 1465.65,79 156.946,80 12.756,81 16.039,82 427.844,83 103.842,84 2295.9,85 168.067,86 13.601,87 18.055,88 479.398,89 122.45,90 2174.33,91 191.622,92 12.982,93 20.229,94 540.083,95 138.395,96 2336.27,97 219.741,98 15.889,99 22.484,100 601.608,101 158.42,102 2871.41,103 252.389,104 7208,105 346,106 0.178,107 0.367,108 0.54,109 0.665,110 0.746,111 0.799,112 5.553,113 0.999,114 -11.45,115 -11.03,116 -10.08,117 30.8,118 20,119 45,120 8,122 6,124 30,127 5,128 1,130 2,134 2,138 39,139 3,140 2,143 13,144 13,145 13,147 4,149 4,150 51,151 4,153 14,154 11,155 47,156 3,157 40,159 6,160 34,161 4,162 6,163 3,165 40,166 1,167 30,168 31,169 68,171 2,172 9,174 6,177 56,180 4,181 2,182 53,183 4,184 1,185 2,187 11,190 32,191 45,192 4,193 2,194 45,195 11,196 56,197 4,198 4,199 29,201 10,203 14,204 49,205 4,206 5,207 51,208 42,209 61,211 6,212 53,215 2,217 11,218 59,220 5,221 16,222 10,223 44,224 4,225 8,226 59,227 8,228 3,231 31,232 70,233 4,234 9,235 55,236 18,237 69,238 4,239 12,240 63,241 9,243 9,246 14,247 75,248 4,249 11,250 57,251 41,252 85,254 6,255 60,256 5,258 10,261 595973,262 164.238,263 164.238,264 164.238,265 164.238,266 164.238,267 155.308,268 174.621,269 98.627,270 165.777,271 127.675,272 127.675,273 127.675,274 127.675,275 127.675,276 112.688,277 164.633,278 46.582,279 129.773,280 7.41,281 5.676,282 4.089,283 2.94,284 2.193,285 1.708,286 6.223,291 37285,292 17.19,294 2308.06,295 1406.24,298 11.58,299 667.198,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 583,310 18502,311 4.17,312 3.881,313 6.469,314 4.031,315 3.045,316 3.508,317 2.341,318 9.946,319 2.993,320 4.162,321 3.88,322 6.401,323 4.007,324 3.023,325 3.507,326 2.341,327 9.719,328 2.967,329 4.15,330 3.874,331 6.293,332 3.976,333 2.993,334 3.466,335 2.341,336 9.385,337 2.933,338 4.139,339 3.869,340 6.253,341 3.967,342 2.983,343 3.326,344 2.341,345 9.357,346 2.926,347 4.135,348 3.863,349 6.243,350 3.966,351 2.982,352 3.325,353 2.013,354 9.35,355 2.924,356 4.123,357 3.856,358 6.242,359 3.952,360 2.968,361 3.309,362 2.012,363 9.316,364 2.911,365 4.111,366 3.847,367 6.227,368 3.938,369 2.953,370 3.303,371 2.011,372 9.266,373 2.897,374 4.098,375 3.837,376 6.208,377 3.926,378 2.941,379 3.291,380 2.009,381 9.213,382 2.887,383 4.084,384 3.825,385 6.201,386 3.909,387 2.924,388 3.282,389 2.006,390 9.192,391 2.871,392 4.074,393 3.813,394 6.177,395 3.897,396 2.912,397 3.269,398 2.003,399 9.117,400 2.861,401 4.055,402 3.799,403 6.172,404 3.881,405 2.895,406 3.26,407 2,408 9.104,409 2.846,410 4.03,411 3.785,412 6.15,413 3.863,414 2.875,415 3.239,416 1.996,417 9.015,418 2.833,419 4.016,420 3.769,421 6.125,422 3.842,423 2.854,424 3.216,425 1.991,426 8.932,427 2.811,428 3.997,429 3.753,430 6.1,431 3.817,432 2.828,433 3.199,434 1.986,435 8.858,436 2.788,437 3.973,438 3.735,439 6.08,440 3.804,441 2.814,442 3.185,443 1.981,444 8.8,445 2.778,446 116.167,447 0.452,448 7.8,449 0.03,450 239.75,451 0.933,452 77,453 0.3,454 162.75,455 0.633,456 647.368,457 2.519,458 315.233,459 0.596,460 521.007,461 2.027,462 46.024,463 0.179,464 74.934,465 0.292,466 0.257,468 0.357,471 0.81,472 1.623,473 0.931,474 1.348,475 0.666,476 1.167,477 0.498,478 1.468,479 0.873,480 1.381,481 0.484,482 1.232,483 0.952,484 1.065,485 1.021,486 1.083,487 0.98,488 1.068,489 1.245,490 1.063,491 1.008,492 0.944,493 1.19,494 0.912,495 1.034,496 1.118,497 0.957,498 1.02,499 1.044,500 0.972,501 1.131,502 1.005,503 1.066,504 1.03,505 1.179,506 1.035,507 1.199,508 1.084,509 1.062,510 1.038,511 1.183,512 1.019,513 0.911,514 1.124,515 0.971,516 1.107,517 0.921,518 1.061,519 65,520 5.295,521 30.444,522 16.882,523 18.461,524 12.174,525 8.642,526 9.427,527 6.87,528 5.064,529 4453410,530 13136300,531 1.852,532 51.4,533 75,534 47,535 2,536 2,537 63,538 22,539 61,541 2.165,542 1.678,543 6.031,544 47.303,547 865.888,548 1.637,549 3.371,550 4.959,551 6.107,552 6.854,553 7.339,554 5.515,555 7.772,556 7.976,557 6.299,558 207215,559 14.691,560 16253800,563 4785.93,564 1.578,565 7.89,566 0.25,567 0.008,568 0.088,569 0.044,570 0.042,571 0.023,572 0.016,573 0.016,574 0.01,575 0.008,576 0.505,577 0.17,578 0.38,579 2.347,580 2323.3,581 -0.123,582 -0.097,583 -0.017,584 0.008,585 -0.067,586 0.026,587 0.193,588 -0.17,589 0.052,590 -0.156,591 0.125,592 -0.101,593 -0.011,594 0.035,595 -0.035,596 -0.033,597 -0.079,598 -0.043,599 -0.181,600 -0.023,601 0.004,602 0.052,603 -0.138,604 0.077,605 0.112,606 -0.029,607 0.067,608 0.007,609 0.122,610 0.027,611 0.005,612 0.094,613 -0.045,614 0.007,615 -0.028,616 -0.031,617 -0.116,618 -0.011,619 -0.053,620 0.009,621 -0.076,622 -0.003,623 0.095,624 -0.052,625 0.023,626 -0.05,627 0.096,628 -0.033,629 3.517,630 8.21,631 0.132,632 1530.41,633 1.012,634 1.152,635 -16.22,636 263.081,637 0.601,638 5.565,639 5.849,640 5.979,641 6.133,642 6.301,643 6.354,644 6.443,645 6.553,646 6.557,647 6.585,648 40.07,649 0.575,650 3636.85,651 5.565,652 7.101,653 7.898,654 8.746,655 9.569,656 10.418,657 11.255,658 12.105,659 12.948,660 13.8,661 9.5,662 8,667 35,668 2,669 3,670 2,673 9,674 2,675 2,677 3,679 16,686 529,687 58,688 1,689 260,690 532,691 163,692 12,693 1,694 5,696 4,697 4,699 3,701 22,702 9,705 75,706 54,707 109,708 8,709 42,710 39,711 3,712 42,716 272,717 92,718 63,719 94,721 2,722 50,725 1,726 44,727 1,735 2,736 1,740 5,741 30,743 4,744 8,747 5,749 4,752 20,755 257,756 13,757 5,758 51,759 30,762 38,768 8.3,769 1,770 4,771 39,774 153.167,775 93.25,776 58.5,777 32.331,778 0.658,779 1.06,780 0.88,781 112.336,782 11.622,783 5.74,784 6.125,785 6.313,786 6.539,787 6.79,788 6.774,789 6.895,790 7.092,791 7.064,792 7.08,793 0.979,794 381,795 100.572,796 45.961,797 8.263,798 176.32,799 140.36,800 2.763,801 710.167,804 2460.16,805 566.498,806 1085.48,808 1194.07,811 566.498,812 3654.23,813 1085.48,814 176.504,815 1092.57,816 108.159,817 1394.04,818 92.627,819 29.239,820 2413.08,822 2460.16,823 1651.98,824 1194.07,826 1742.12,827 1869.42,828 42.683,829 1375.75,830 242.661,831 33.571,833 2460.16,834 2279.55,835 566.498,836 2460.16,837 307.281,838 259.217,839 573.894,840 1705.66,841 2460.16,842 2279.55,843 566.498,844 0.573,845 0.307,846 0.153,847 0.089,848 95,849 83,850 0.226,851 120,853 1,854 15.348,855 4491.77,857 34,858 2022.69,860 231.632,861 124.639,862 94.084,864 2245.98,865 14.11,866 8.365,867 5.459,869 1.091,871 1214.97,872 5306.21,873 310,874 555.884,875 11.834,876 -46.348,877 535.571,878 609.216,879 0.181,880 0.373,881 0.548,882 0.675,883 0.758,884 0.811,885 7.002,886 2.941,887 7.89,888 9.266,889 6.541,890 6.817,891 5.595,892 8.641,893 6.511,894 8.156,895 2.924,896 9.429,897 9.213,898 6.213,899 6.651,900 5.161,901 9.464,902 6.196,903 9.425,904 2.912,905 11.064,906 9.192,907 8.091,908 8.64,909 6.718,910 12.49,911 8.028,912 10.714,913 2.895,914 12.753,915 9.117,916 8.507,917 9.205,918 6.893,919 14.079,920 8.457,921 12.028,922 2.875,923 14.476,924 9.104,925 9.896,926 10.715,927 8.002,928 16.634,929 9.802,930 13.358,931 2.854,932 16.222,933 9.015,934 10.644,935 11.588,936 8.449,937 18.551,938 10.557,939 14.7,940 2.828,941 17.984,942 8.932,943 11.841,944 12.921,945 9.374,946 20.918,947 11.718,948 3.045,949 2.814,950 19.759,951 8.858,952 12.751,953 13.936,954 9.968,955 22.99,956 12.624,957 3.023,958 9.946,959 21.543,960 8.8,961 13.868,962 15.198,963 10.809,964 25.276,965 13.712,966 2.993,967 9.719,968 23.334,969 3.508,970 14.856,971 16.284,972 11.488,973 27.423,974 14.691,975 2.983,976 9.385,977 25.13,978 3.507,979 15.941,980 17.517,981 12.296,982 29.675,983 15.752,984 2.982,985 9.357,986 26.932,987 3.466,988 16.97,989 18.642,990 13.027,991 31.862,992 16.766,993 2.968,994 9.35,995 28.736,996 3.326,997 18.044,998 19.863,999 13.825,1000 34.1,1001 17.818,1002 2.953,1003 9.316,1004 30.544,1005 3.325,1006 19.093,1007 21.013,1008 14.591,1009 36.309,1010 18.851,1011 4441130,1012 7629630,1013 158.42,1014 317.798,1015 384.605,1016 405.301,1017 398.024,1018 377.725,1019 377.916,1020 434.217,1021 176.894,1022 1034.62,1023 372.763,1024 5.17,1025 5.881,1026 6.377,1027 5.099,1028 5.045,1029 6.508,1030 3.925,1031 16.645,1032 4.993,1033 254.481,1034 1.479,1035 1.559,1036 1.531,1037 1.453,1038 1.454,1039 1.67,1040 0.68,1041 3.979,1042 1.434,1043 4.305,1044 4.365,1045 4.191,1046 4.11,1047 7.531,1048 4.119,1049 3.931,1050 3.988,1051 3.867,1052 3.844,1053 7.472,1054 3.838,1055 3.918,1056 3.977,1057 3.853,1058 3.739,1059 7.472,1060 3.761,1061 3.906,1062 3.945,1063 3.834,1064 3.732,1065 7.472,1066 3.752,1067 3.886,1068 3.933,1069 3.81,1070 3.711,1071 7.464,1072 3.724,1073 3.883,1074 3.931,1075 3.809,1076 3.704,1077 7.435,1078 3.719,1079 3.869,1080 3.918,1081 3.793,1082 3.699,1083 7.435,1084 3.709,1085 3.868,1086 3.917,1087 3.792,1088 3.692,1089 7.435,1090 3.703,1091 0.016,1092 0.015,1093 0.025,1094 0.016,1095 0.012,1096 4.17,1097 0.013,1098 3.881,1099 0.009,1100 6.469,1101 0.038,1102 4.031,1103 0.012,1104 3.045,1105 3.508,1106 2.341,1107 9.946,1108 2.993,1109 1.925,1110 1.895,1111 2.056,1112 2.035,1113 1.345,1114 2.035,1115 1.835,1116 1.787,1117 2.029,1118 2.034,1119 1.344,1120 2.026,1121 1.831,1122 1.783,1123 2.028,1124 2.033,1125 1.337,1126 2.023,1127 1.827,1128 1.779,1129 2.025,1130 2.027,1131 1.331,1132 2.022,1133 1.823,1134 1.774,1135 2.022,1136 2.02,1137 1.327,1138 2.015,1139 1.823,1140 1.773,1141 2.019,1142 2.017,1143 1.327,1144 2.015,1145 1.808,1146 1.76,1147 2.006,1148 2.013,1149 1.319,1150 2.005,1151 1.798,1152 1.748,1153 2.006,1154 2.002,1155 1.317,1156 1.996,1157 6.256,1159 7.552,1160 3.045,1161 8.993,1162 5.13,1163 10.505,1164 6.952,1165 12.061,1166 32.033,1169 74.322,1170 51.12,1171 -17.108,1172 74.959,1175 -55.554,1178 303.996,1179 865.888,1180 1783.33,1181 2623.09,1182 3230.41,1183 3625.89,1184 3882.25,1185 7043.6,1186 10.965,1187 1560.48,1188 1560.48,1189 34,1190 14.359,1191 5.883,1192 5.672,1193 1752.84,1194 6291,1195 6447,1196 0.127,1197 1916.85,1198 3553.72,1199 4668.89,1200 2300130,1202 193.509,1203 0.753,1204 0.582,1205 193.509,1206 149.597,1207 120.958,1208 0.465,1209 0.333,1210 85.149,1211 115.032,1212 83.135,1213 69.403,1214 120.958,1215 86.572,1216 110.233,1217 0.319,1218 0.191,1219 110.233,1220 66.176,1221 78.041,1222 0.198,1223 0.105,1224 78.041,1225 41.251,1226 57.994,1227 0.126,1228 0.058,1229 57.994,1230 26.626,1231 46.057,1232 0.085,1233 0.032,1234 46.057,1235 17.333,1236 0.214,1237 770.665,1238 0.079,1239 145.8,1240 0.315,1241 1212,1242 4258.37,1243 1394.94,1244 3991.81,1245 5050.56,1246 3650,1247 1346,1248 3367.33,1249 1510.77,1250 3338.32,1251 4782.37,1252 3128,1253 8.26} {0 CHEMBL452075,1 1.62,2 72,3 -4.491,4 20.167,5 942.666,6 6.813,7 0.042,8 6.353,9 6.5,10 5.77,11 5.735,12 7.497,13 5.719,14 6.929,15 7.131,16 6.131,17 6.138,18 8.095,19 6.076,20 7.311,21 7.55,22 6.277,23 6.349,24 8.423,25 6.273,26 7.453,27 7.7,28 6.414,29 6.438,30 8.585,31 6.388,32 7.513,33 7.73,34 6.619,35 6.529,36 8.928,37 6.5,38 7.634,39 7.856,40 6.673,41 6.658,42 8.942,43 6.611,44 7.748,45 7.974,46 6.734,47 6.778,48 8.983,49 6.723,50 7.868,51 8.099,52 6.848,53 6.882,54 9.174,55 6.812,56 1.279,57 7.577,58 127.708,59 46.201,60 236.179,61 67.634,62 4.399,63 11.321,64 235.975,65 76.51,66 771.867,67 117.782,68 8.34,69 13.994,70 361.808,71 97.836,72 1295.05,73 154.505,74 9.106,75 15.359,76 421.982,77 101.077,78 1553.68,79 166.66,80 13.535,81 16.815,82 449.438,83 109.94,84 2463.61,85 176.972,86 14.541,87 18.94,88 507.231,89 129.965,90 2400.63,91 202.792,92 13.506,93 21.198,94 563.988,95 147.009,96 2523.35,97 231.023,98 16.934,99 23.437,100 636.558,101 168.753,102 3143.46,103 266.576,104 9072,105 354,106 0.176,107 0.358,108 0.533,109 0.657,110 0.73,111 0.78,112 5.58,113 1.013,114 -11.13,115 -10.72,116 -9.8,117 30.9,118 23,119 50,120 9,122 6,124 28,125 2,127 5,128 1,130 1,134 1,138 42,139 1,140 1,143 11,144 11,145 11,147 8,149 8,150 56,151 8,153 14,154 6,155 45,156 1,157 49,159 2,160 41,161 7,162 8,163 1,165 41,167 30,168 30,169 74,170 1,171 1,172 11,174 7,177 60,178 1,180 4,181 3,182 58,183 8,184 2,185 6,187 9,190 34,191 52,192 8,193 3,194 46,195 12,196 60,197 7,198 3,199 34,201 3,203 13,204 57,205 7,206 3,207 50,208 43,209 62,210 1,211 7,212 58,213 3,215 2,217 9,218 71,219 1,220 6,221 18,222 10,223 55,224 8,225 9,226 74,227 16,228 5,231 33,232 75,233 8,234 10,235 52,236 14,237 77,238 7,239 5,240 73,241 18,243 6,246 14,247 81,248 8,249 7,250 53,251 43,252 92,253 2,254 9,255 77,256 10,257 1,258 14,259 1,260 1,261 642424,262 167.848,263 167.848,264 167.848,265 167.848,266 167.848,267 159.672,268 172.051,269 101.082,270 169.024,271 130.048,272 130.048,273 130.048,274 130.048,275 130.048,276 116.01,277 158.966,278 47.578,279 131.62,280 7.483,281 5.8,282 4.187,283 3.043,284 2.366,285 1.905,286 6.245,291 38029,292 18.439,294 1228.52,295 1465.88,298 11.667,299 716.625,301 0.25,302 0.17,303 0.17,304 0.6,305 1,306 0.17,308 0.34,309 600,310 19008,311 4.526,312 4.079,313 7.463,314 4.434,315 3.451,316 3.651,317 2.341,318 13.16,319 3.385,320 4.525,321 4.078,322 7.463,323 4.432,324 3.45,325 3.65,326 2.341,327 13.158,328 3.384,329 4.178,330 3.884,331 6.451,332 4.031,333 3.047,334 3.5,335 2.341,336 9.912,337 2.992,338 4.146,339 3.882,340 6.418,341 3.986,342 3.001,343 3.471,344 2.341,345 9.781,346 2.95,347 4.14,348 3.873,349 6.337,350 3.977,351 2.993,352 3.338,353 2.341,354 9.418,355 2.936,356 4.132,357 3.863,358 6.254,359 3.964,360 2.981,361 3.318,362 2.341,363 9.39,364 2.923,365 4.121,366 3.857,367 6.242,368 3.953,369 2.968,370 3.309,371 2.341,372 9.339,373 2.913,374 4.108,375 3.847,376 6.227,377 3.937,378 2.953,379 3.298,380 2.341,381 9.3,382 2.898,383 4.104,384 3.832,385 6.216,386 3.925,387 2.94,388 3.289,389 2.013,390 9.251,391 2.888,392 4.087,393 3.821,394 6.212,395 3.908,396 2.923,397 3.275,398 2.012,399 9.24,400 2.873,401 4.076,402 3.809,403 6.182,404 3.906,405 2.92,406 3.254,407 2.011,408 9.166,409 2.871,410 4.058,411 3.802,412 6.181,413 3.893,414 2.905,415 3.241,416 2.009,417 9.132,418 2.863,419 4.029,420 3.787,421 6.168,422 3.88,423 2.891,424 3.222,425 2.006,426 9.095,427 2.849,428 4.008,429 3.769,430 6.127,431 3.851,432 2.864,433 3.193,434 2.003,435 8.947,436 2.819,437 3.993,438 3.75,439 6.108,440 3.826,441 2.838,442 3.169,443 2,444 8.892,445 2.796,446 119.267,447 0.452,448 8.252,449 0.031,450 238.75,451 0.904,452 74.5,453 0.282,454 164.25,455 0.622,456 694.993,457 2.633,458 326.533,459 0.594,460 537.039,461 2.034,462 45.215,463 0.171,464 78.619,465 0.298,466 0.273,467 0.008,468 0.344,471 0.798,472 1.606,473 0.94,474 1.365,475 0.667,476 1.188,477 0.47,478 1.495,479 0.863,480 1.386,481 0.465,482 1.235,483 0.93,484 1.085,485 1.015,486 1.089,487 0.955,488 1.073,489 1.185,490 1.063,491 0.977,492 0.931,493 1.131,494 0.894,495 1.009,496 1.143,497 0.962,498 1.031,499 1.012,500 0.984,501 1.101,502 0.995,503 1.051,504 1.005,505 1.131,506 1.013,507 1.178,508 1.104,509 1.072,510 1.058,511 1.163,512 1.037,513 0.936,514 1.134,515 0.993,516 1.111,517 0.945,518 1.072,519 70,520 5.559,521 32,522 18.535,523 19.946,524 13.229,525 9.464,526 9.815,527 7.546,528 5.265,529 4655410,530 13767000,531 1.829,532 52,533 83,534 45,535 1,536 1,537 61,538 27,539 68,541 2.17,542 1.652,543 6.049,544 45.219,547 891.081,548 1.62,549 3.304,550 4.916,551 6.061,552 6.737,553 7.199,554 5.54,555 7.799,556 8.014,557 6.305,558 218888,559 14.772,560 17347300,563 5006.81,564 1.634,565 7.922,566 0.264,567 0.008,568 0.09,569 0.047,570 0.043,571 0.024,572 0.016,573 0.016,574 0.011,575 0.008,576 0.528,577 0.17,578 0.38,579 4.155,580 2395.25,581 -0.115,582 -0.075,583 -0.021,584 0.011,585 -0.064,586 0.023,587 0.204,588 -0.193,589 0.06,590 -0.153,591 0.141,592 -0.095,593 -0.014,594 0.024,595 -0.032,596 -0.034,597 -0.08,598 -0.042,599 -0.16,600 -0.016,601 0.032,602 0.062,603 -0.126,604 0.096,605 0.118,606 -0.036,607 0.063,608 -0.001,609 0.125,610 0.017,611 0.011,612 0.108,613 -0.029,614 0.027,615 -0.014,616 -0.009,617 -0.114,618 -0.01,619 -0.064,620 -0.004,621 -0.075,622 -0.016,623 0.073,624 -0.058,625 0.003,626 -0.054,627 0.075,628 -0.044,629 3.619,630 8.203,631 0.042,632 1580.8,633 1.012,634 1.15,635 -15.897,636 252.716,637 0.598,638 5.583,639 5.872,640 5.996,641 6.163,642 6.335,643 6.387,644 6.469,645 6.564,646 6.572,647 6.564,648 40.233,649 0.572,650 3747,651 5.583,652 7.122,653 7.919,654 8.773,655 9.599,656 10.456,657 11.297,658 12.157,659 13.006,660 13.867,661 8,662 7,667 34,668 1,669 1,670 1,673 7,674 1,675 1,677 2,679 11,686 550,687 54,688 1,689 265,690 551,691 170,692 9,693 1,694 5,696 2,697 2,699 1,701 28,705 78,706 52,707 118,708 11,709 43,710 42,711 1,712 43,716 286,717 93,718 61,719 94,721 1,722 44,725 1,726 50,735 1,736 1,740 4,741 30,743 8,744 7,747 8,749 2,752 23,755 264,756 11,757 8,758 56,759 30,762 37,764 2,768 9.1,770 8,771 42,774 159.833,775 97.833,776 60.361,777 33.944,778 0.559,779 1.053,780 0.866,781 119.353,782 11.087,783 5.751,784 6.126,785 6.294,786 6.521,787 6.803,788 6.774,789 6.872,790 7.055,791 7.043,792 7.036,793 0.979,794 393,795 103.873,796 47.843,797 8.304,798 181.027,799 144.023,800 2.804,801 740.333,804 2648.5,805 582.466,806 952.548,808 1397.55,811 582.466,812 4046.05,813 952.548,814 202.98,815 1041.55,816 56.429,817 1601.97,818 39.513,819 13.67,820 2624.96,822 2648.5,823 1535.01,824 1397.55,826 1848.06,827 2197.99,829 1289.48,830 228.75,831 16.786,833 2648.5,834 2350.1,835 582.466,836 2648.5,837 314.439,838 268.027,839 557.108,840 1792.99,841 2648.5,842 2350.1,843 582.466,844 0.571,845 0.304,846 0.154,847 0.092,848 94,849 86,850 0.252,851 139,853 1,854 15.375,855 4653.83,857 11,858 2086.97,860 242.76,861 129.796,862 99.134,864 2333.32,865 11.567,866 4.26,867 2.809,869 0.993,871 1260.44,872 5581.07,873 313.5,874 595.082,875 4.037,876 -53.495,877 556.76,878 632.634,879 0.178,880 0.363,881 0.54,882 0.666,883 0.74,884 0.791,885 7.018,886 2.953,887 7.923,888 9.339,889 6.564,890 6.818,891 5.679,892 8.696,893 6.54,894 8.177,895 2.94,896 9.477,897 9.3,898 6.293,899 6.702,900 5.31,901 9.657,902 6.278,903 9.453,904 2.923,905 11.133,906 9.251,907 8.144,908 8.637,909 6.858,910 12.685,911 8.088,912 10.751,913 2.92,914 12.85,915 9.24,916 8.627,917 9.252,918 7.093,919 14.493,920 8.577,921 12.076,922 2.905,923 14.609,924 9.166,925 10.01,926 10.726,927 8.203,928 17.107,929 9.922,930 13.42,931 2.891,932 16.398,933 9.132,934 10.834,935 11.646,936 8.705,937 19.308,938 10.743,939 14.778,940 2.864,941 18.212,942 9.095,943 12.048,944 12.96,945 9.64,946 21.82,947 11.926,948 3.451,949 2.838,950 20.047,951 8.947,952 13.038,953 14.018,954 10.283,955 24.215,956 12.904,957 3.45,958 13.16,959 21.9,960 8.892,961 14.196,962 15.276,963 11.143,964 26.727,965 14.036,966 3.047,967 13.158,968 23.769,969 3.651,970 15.271,971 16.402,972 11.865,973 29.216,974 15.094,975 3.001,976 9.912,977 25.652,978 3.65,979 16.419,980 17.642,981 12.695,982 31.75,983 16.217,984 2.993,985 9.781,986 27.549,987 3.5,988 17.54,989 18.806,990 13.463,991 34.286,992 17.319,993 2.981,994 9.418,995 29.459,996 3.471,997 18.695,998 20.043,999 14.285,1000 36.839,1001 18.452,1002 2.968,1003 9.39,1004 31.38,1005 3.338,1006 19.846,1007 21.231,1008 15.081,1009 39.396,1010 19.582,1011 4678100,1012 8048040,1013 159.401,1014 329.105,1015 391.384,1016 413.617,1017 408.719,1018 384.838,1019 384.785,1020 438.209,1021 186.455,1022 1061.45,1023 380.901,1024 5.526,1025 6.079,1026 7.372,1027 5.502,1028 5.451,1029 6.651,1030 3.925,1031 20.593,1032 5.385,1033 269.971,1034 1.477,1035 1.561,1036 1.542,1037 1.452,1038 1.452,1039 1.654,1040 0.704,1041 4.005,1042 1.437,1043 4.319,1044 4.378,1045 4.202,1046 4.127,1047 7.545,1048 4.135,1049 3.932,1050 3.985,1051 3.866,1052 3.846,1053 7.472,1054 3.84,1055 3.909,1056 3.949,1057 3.838,1058 3.745,1059 7.472,1060 3.763,1061 3.894,1062 3.94,1063 3.821,1064 3.727,1065 7.472,1066 3.738,1067 3.884,1068 3.932,1069 3.811,1070 3.711,1071 7.472,1072 3.723,1073 3.881,1074 3.929,1075 3.807,1076 3.706,1077 7.472,1078 3.72,1079 3.877,1080 3.925,1081 3.802,1082 3.702,1083 7.472,1084 3.716,1085 3.868,1086 3.916,1087 3.792,1088 3.693,1089 7.472,1090 3.705,1091 0.017,1092 0.015,1093 0.028,1094 0.017,1095 0.013,1096 4.526,1097 0.014,1098 4.079,1099 0.009,1100 7.463,1101 0.05,1102 4.434,1103 0.013,1104 3.451,1105 3.651,1106 2.341,1107 13.16,1108 3.385,1109 1.926,1110 1.897,1111 2.057,1112 2.043,1113 1.347,1114 2.041,1115 1.848,1116 1.801,1117 2.038,1118 2.038,1119 1.342,1120 2.032,1121 1.847,1122 1.801,1123 2.038,1124 2.035,1125 1.34,1126 2.03,1127 1.836,1128 1.789,1129 2.032,1130 2.029,1131 1.34,1132 2.024,1133 1.832,1134 1.783,1135 2.028,1136 2.026,1137 1.34,1138 2.022,1139 1.822,1140 1.774,1141 2.017,1142 2.023,1143 1.338,1144 2.017,1145 1.816,1146 1.768,1147 2.014,1148 2.016,1149 1.334,1150 2.011,1151 1.803,1152 1.755,1153 2.009,1154 2.009,1155 1.33,1156 2,1157 6.275,1159 7.574,1160 2.398,1161 9.021,1162 4.443,1163 10.544,1164 6.26,1165 12.115,1166 36.479,1169 63.395,1170 80.946,1171 -20.291,1172 73.951,1175 -55.68,1177 -3.72,1178 314.424,1179 891.081,1180 1817.02,1181 2703.93,1182 3333.36,1183 3705.44,1184 3959.31,1185 12675.3,1186 10.528,1187 1566.94,1188 1566.94,1189 11,1190 14.42,1191 5.781,1192 5.629,1193 3018.44,1194 6463,1195 6634,1196 0.212,1197 1984.93,1198 3699.82,1199 4834.98,1200 1288680,1202 200.225,1203 0.758,1204 0.587,1205 200.225,1206 154.971,1207 123.834,1208 0.467,1209 0.338,1210 88.018,1211 117.816,1212 85.768,1213 71.708,1214 123.834,1215 89.441,1216 113.308,1217 0.32,1218 0.195,1219 113.308,1220 69.133,1221 78.597,1222 0.196,1223 0.107,1224 78.597,1225 42.822,1226 59.216,1227 0.125,1228 0.059,1229 59.216,1230 28.095,1231 47.043,1232 0.084,1233 0.032,1234 47.043,1235 17.765,1236 0.356,1237 788.975,1238 0.079,1239 148.307,1240 0.527,1241 1238,1242 4404.13,1243 1425.68,1244 4113.22,1245 5170.99,1246 3752,1247 1374,1248 3418.14,1249 1540,1250 3384.8,1251 4849.26,1252 3168,1253 8.721} {0 CHEMBL475306,1 1.557,2 10.517,3 2.467,4 6.088,5 111.973,6 6.889,7 0.516,8 4.147,9 4.275,10 3.65,11 3.567,12 5.206,13 3.558,14 4.706,15 4.916,16 3.968,17 3.908,18 5.672,19 3.89,20 4.783,21 4.974,22 4.084,23 4.083,24 5.781,25 4.047,26 4.973,27 5.189,28 4.164,29 4.22,30 5.884,31 4.157,32 5.144,33 5.386,34 4.22,35 4.29,36 6.078,37 4.226,38 5.165,39 5.389,40 4.129,41 4.314,42 6.109,43 4.217,44 5.182,45 5.45,46 4.046,47 4.231,48 6.058,49 4.108,50 5.122,51 5.397,52 3.795,53 4.124,54 5.938,55 3.983,56 0.034,57 0.84,58 13.419,59 5,60 10.825,61 7.149,62 0.503,63 1.256,64 26.075,65 7.49,66 33.114,67 11.049,68 0.459,69 1.495,70 27.139,71 8.197,72 31.94,73 12.573,74 0.235,75 1.744,76 32.525,77 10.182,78 26.556,79 16.116,80 0.745,81 1.913,82 40.507,83 10.513,84 51.948,85 17.36,86 0.651,87 1.935,88 40.635,89 11.625,90 54.117,91 18.476,92 0.614,93 1.759,94 42.182,95 12.754,96 55.369,97 19.974,98 0.626,99 1.565,100 40.568,101 11.823,102 54.86,103 18.137,104 55,105 43,106 0.256,107 0.534,108 0.719,109 0.797,110 0.797,111 0.797,112 3.409,113 0.931,114 -4.42,115 -4.35,116 -4.1,117 36.2,118 3,121 3,122 4,127 3,128 3,129 1,130 1,132 1,141 1,142 1,146 1,150 6,152 5,153 8,160 9,164 5,165 6,172 7,176 1,177 13,185 4,190 4,191 15,199 4,203 3,204 4,212 3,217 5,218 11,226 3,232 4,246 2,247 5,261 1327,262 19.662,263 19.662,264 19.662,265 19.662,266 19.662,267 17.746,268 24.201,269 11.833,270 20.573,271 15.179,272 15.179,273 15.179,274 15.179,275 15.179,276 12.168,277 28.312,278 5.445,279 16.358,280 4.301,281 2.607,282 1.48,283 1.009,284 1.009,285 1.009,286 4.087,289 1,290 1,291 628,292 3.808,294 61.913,295 165.105,297 119.011,298 1.707,299 21.798,301 1,302 1,303 0.83,304 1,305 1,306 1,307 1,308 0.98,309 63.5,310 305,311 4.77,312 3.428,313 7.056,314 4.315,315 3.357,316 4.73,317 0.86,318 12.157,319 3.231,320 4.285,321 3.12,322 6.511,323 3.893,324 2.942,325 3.939,326 0.86,327 10.165,328 2.788,329 3.922,330 2.869,331 5.893,332 3.556,333 2.609,334 3.387,335 0.86,336 8.137,337 2.463,338 3.59,339 2.558,340 5.397,341 3.216,342 2.289,343 2.955,344 0.8,345 6.773,346 2.117,347 3.482,348 2.427,349 5.147,350 3.093,351 2.152,352 2.763,354 6.169,355 2.017,356 3.17,357 2.173,358 5.015,359 2.795,360 1.85,361 2.39,363 5.536,364 1.743,365 3.004,366 2.162,367 4.767,368 2.603,369 1.667,370 2.129,372 4.868,373 1.561,374 2.792,375 1.958,376 4.274,377 2.41,378 1.532,379 1.897,381 3.715,382 1.375,383 2.532,384 1.74,385 3.883,386 2.395,387 1.429,388 1.532,390 2.867,391 1.336,392 2.382,393 1.447,394 3.532,395 2.082,396 1.189,397 1.361,399 2.655,400 1.052,401 2.07,402 1.127,403 3.238,404 1.726,405 0.814,406 0.998,408 1.856,409 0.737,410 1.675,411 0.835,412 2.994,413 1.371,414 0.484,415 0.557,417 0.84,418 0.424,419 1.347,420 0.79,421 2.758,422 1.228,423 0.347,424 0.347,426 0.516,427 0.304,428 1.296,429 0.376,430 2.655,431 1.01,432 0.067,433 0.079,435 0.137,436 0.063,437 1.021,438 0.257,439 2.445,440 0.749,441 -0.164,442 -0.177,444 -0.274,445 -0.148,446 13.5,447 0.466,448 0.678,449 0.023,450 34.5,451 1.19,452 15,453 0.517,454 19.5,455 0.672,456 28.558,457 0.985,458 33.3,459 0.574,460 27.603,461 0.952,462 7.234,463 0.249,464 6.76,465 0.233,466 0.222,468 0.356,471 0.865,472 1.666,473 0.842,474 1.425,475 0.867,476 1.173,477 1.443,478 0.858,479 0.857,480 0.675,481 1.156,482 0.681,483 1.036,484 1.12,485 1.002,486 0.944,487 1.086,488 0.955,489 0.762,490 1.416,491 0.918,492 1.185,493 0.745,494 1.081,495 1.103,496 0.988,497 1.031,498 0.828,499 1.051,500 0.883,501 1.043,502 1.215,503 1.277,504 1.221,505 1.235,506 1.259,507 0.704,508 1.021,509 0.921,510 1.083,511 0.7,512 1.038,513 1.248,514 0.858,515 1.077,516 0.905,517 1.212,518 0.959,519 5.5,520 0.12,521 3.111,522 2.604,523 2.183,524 1.491,525 1.01,526 0.692,527 0.385,528 0.177,529 8892,530 22921,531 1.993,532 50,533 3,534 20,538 6,541 1.727,542 1.832,543 3.325,544 -0.717,545 1,546 1,547 90.278,548 1.557,549 3.251,550 4.378,551 4.849,552 4.849,553 4.849,554 2.889,555 4.185,556 4.822,557 3.481,558 1413.22,559 8.447,560 18464.8,561 1,562 1,563 339.763,564 1.519,565 4.768,566 0.177,567 0.007,568 0.072,569 0.054,570 0.043,571 0.028,572 0.022,573 0.017,574 0.012,575 0.008,576 0.442,577 0.17,578 1,579 1.676,580 144.732,581 0.039,582 -0.357,583 0.089,584 -0.236,585 -0.001,586 -0.092,587 -0.09,588 0.228,589 0.174,590 0.311,591 0.001,592 0.277,593 -0.028,594 0.109,595 -0.026,596 0.094,597 -0.088,598 0.036,599 -0.022,600 -0.255,601 0.022,602 -0.133,603 0.015,604 -0.06,605 -0.069,606 0.116,607 -0.032,608 0.115,609 -0.039,610 0.062,611 -0.078,612 -0.087,613 -0.303,614 -0.23,615 -0.187,616 -0.286,617 0.154,618 -0.049,619 0.048,620 -0.105,621 0.218,622 -0.05,623 -0.172,624 0.046,625 -0.079,626 0.05,627 -0.143,628 0.009,629 0.973,630 1.853,631 0.517,632 28.561,633 1.002,634 1.14,635 3.19,636 10.178,637 0.63,638 3.466,639 3.784,640 4.094,641 4.431,642 4.71,643 4.852,644 5.024,645 5.124,646 5.153,647 5.193,648 6.126,649 0.596,650 399.55,651 3.466,652 5.004,653 5.866,654 6.767,655 7.665,656 8.581,657 9.495,658 10.418,659 11.339,660 12.266,661 8.6,666 1,668 1,670 3,671 1,672 1,673 3,674 3,677 7,679 16,682 1,684 1,686 58,687 16,688 1,689 31,690 60,691 21,692 11,693 3,694 3,696 3,697 4,701 3,706 11,707 10,714 1,716 29,717 7,719 8,722 5,725 0.667,726 3,729 1,735 1,736 2,738 1,748 2,749 2,752 6,755 29,758 4,760 3,763 1,768 5.2,772 2,773 1,774 15.833,775 12.5,776 6.694,777 3.293,778 3.264,779 1.434,780 0.935,781 7.063,782 10.789,783 3.689,784 4.314,785 4.967,786 5.659,787 6.26,788 6.685,789 7.162,790 7.597,791 7.887,792 8.211,793 1,794 48,795 10.671,796 4.262,797 7.598,798 20.577,799 15.93,800 2.098,801 60.833,803 1,804 341.362,805 124.449,806 54.522,808 33,811 124.449,812 374.362,813 54.522,814 59.125,815 13.396,816 28.429,817 73.949,818 37.072,820 341.362,822 341.362,823 178.971,824 33,826 343.69,827 11,828 22,829 47.407,830 79.002,831 50.234,833 341.362,834 87.522,835 124.449,836 341.362,837 36.895,838 91.842,840 83.234,841 341.362,842 87.522,843 124.449,844 0.565,845 0.338,846 0.197,847 0.122,848 19,849 10,850 0.15,851 9,852 1,853 1.133,854 3.804,855 259.801,856 0.133,857 15,858 132.881,860 21.5,861 9.527,862 4.527,863 0.79,864 86.358,865 6.045,866 14.207,869 6.366,872 553.333,873 39,877 58.094,878 66.102,879 0.266,880 0.555,881 0.747,882 0.828,883 0.828,884 0.828,885 4.927,886 1.532,887 5.861,888 4.868,889 4.466,890 5.001,891 1.856,892 6.725,893 4.342,894 6.144,895 1.429,896 7.449,897 3.715,898 4.111,899 4.956,900 0.325,901 7.745,902 3.961,903 7.472,904 1.189,905 9.144,906 2.867,907 6.094,908 7.29,909 1.557,910 10.912,911 5.877,912 8.843,913 0.814,914 10.901,915 2.655,916 6.581,917 8.1,918 0.268,919 12.794,920 6.341,921 10.251,922 0.484,923 12.698,924 1.856,925 8.045,926 9.937,927 1.308,928 15.496,929 7.753,930 11.686,931 0.347,932 14.525,933 0.84,934 8.921,935 11.142,936 0.188,937 17.733,938 8.603,939 13.143,940 0.067,941 16.374,942 0.516,943 10.195,944 12.79,945 1.087,946 20.284,947 9.834,948 3.357,949 -0.164,950 18.24,951 0.137,952 11.249,953 14.18,954 0.125,955 22.666,956 10.856,957 2.942,958 12.157,959 20.119,960 -0.274,961 12.458,962 15.757,963 0.89,964 25.168,965 12.027,966 2.609,967 10.165,968 22.01,969 4.73,970 13.589,971 17.231,972 0.082,973 27.611,974 13.125,975 2.289,976 8.137,977 23.909,978 3.939,979 14.78,980 18.784,981 0.718,982 30.1,983 14.28,984 2.152,985 6.773,986 25.815,987 3.387,988 15.946,989 20.297,990 0.054,991 32.568,992 15.412,993 1.85,994 6.169,995 27.728,996 2.955,997 17.136,998 21.844,999 0.571,1000 35.055,1001 16.566,1002 1.667,1003 5.536,1004 29.646,1005 2.763,1006 18.319,1007 23.376,1008 0.035,1009 37.536,1010 17.714,1011 9024,1012 14606,1013 19.997,1014 36.529,1015 45.411,1016 46.433,1017 48.832,1018 45.373,1019 45.457,1020 58.131,1021 6.76,1022 132.781,1023 42.427,1024 5.649,1025 5.428,1026 6.935,1027 5.415,1028 5.357,1029 7.73,1030 1.72,1031 19.801,1032 5.231,1033 17.217,1034 1.465,1035 1.498,1036 1.575,1037 1.464,1038 1.466,1039 1.875,1040 0.218,1041 4.283,1042 1.369,1043 4.146,1044 4.198,1045 4.13,1046 3.999,1047 5.154,1048 4.021,1049 3.872,1050 3.904,1051 3.822,1052 3.736,1053 4.842,1054 3.758,1055 3.675,1056 3.735,1057 3.557,1058 3.464,1059 4.654,1060 3.477,1061 3.466,1062 3.526,1063 3.355,1064 3.278,1065 4.61,1066 3.285,1067 3.458,1068 3.517,1069 3.296,1070 3.2,1071 4.523,1072 3.21,1073 3.281,1074 3.347,1075 3.111,1076 3.055,1077 4.338,1078 3.051,1079 3.219,1080 3.302,1081 3.03,1082 2.938,1083 4.097,1084 2.943,1085 3.113,1086 3.202,1087 2.897,1088 2.915,1089 3.864,1090 2.903,1091 0.154,1092 0.111,1093 0.228,1094 0.139,1095 0.108,1096 4.77,1097 0.153,1098 3.428,1099 0.028,1100 7.056,1101 0.392,1102 4.315,1103 0.104,1104 3.357,1105 4.73,1106 0.86,1107 12.157,1108 3.231,1109 1.955,1110 1.935,1111 2.042,1112 2.091,1113 1.206,1114 2.059,1115 1.792,1116 1.732,1117 1.915,1118 1.998,1119 1.162,1120 1.988,1121 1.576,1122 1.521,1123 1.781,1124 1.819,1125 0.917,1126 1.811,1127 1.489,1128 1.431,1129 1.718,1130 1.702,1131 0.868,1132 1.703,1133 1.402,1134 1.343,1135 1.71,1136 1.686,1137 0.787,1138 1.696,1139 1.252,1140 1.182,1141 1.598,1142 1.536,1143 0.62,1144 1.557,1145 1.211,1146 1.126,1147 1.553,1148 1.489,1149 0.592,1150 1.515,1151 1.144,1152 1.055,1153 1.508,1154 1.426,1155 0.562,1156 1.453,1157 4.143,1159 5.46,1160 2.398,1161 6.982,1162 4.844,1163 8.612,1164 7.05,1165 10.306,1166 11.032,1171 2.528,1173 15.922,1176 2.117,1178 34.573,1179 90.278,1180 188.532,1181 253.949,1182 281.234,1183 281.234,1184 281.234,1185 45.482,1186 7.525,1187 74.01,1188 74.01,1189 17,1190 12.771,1191 4.087,1192 3.17,1193 52.05,1194 105,1195 122,1196 0.25,1197 215.498,1198 364.97,1199 517.575,1200 16900,1202 20.966,1203 0.723,1204 0.621,1205 20.966,1206 18.021,1207 13.994,1208 0.451,1209 0.31,1210 9.385,1211 13.132,1212 8.931,1213 7.518,1214 13.994,1215 9.616,1216 12.131,1217 0.282,1218 0.161,1219 12.131,1220 6.92,1221 10.123,1222 0.172,1223 0.083,1224 10.123,1225 4.871,1226 8.753,1227 0.105,1228 0.041,1229 8.753,1230 3.407,1231 7.515,1232 0.068,1233 0.022,1234 7.515,1235 2.402,1236 0.38,1237 89.83,1238 0.224,1239 26.972,1240 0.724,1241 148,1242 463.432,1243 166.908,1244 432.664,1245 596.24,1246 410,1247 176,1248 438.321,1249 196.271,1250 445.755,1251 651.44,1252 412,1253 6} {0 CHEMBL482950,1 1.521,2 9.64,3 2.811,4 7.899,5 97.048,6 6.949,7 0.593,8 3.98,9 4.121,10 3.493,11 3.439,12 5.045,13 3.421,14 4.521,15 4.74,16 3.868,17 3.789,18 5.529,19 3.76,20 4.658,21 4.882,22 3.945,23 3.92,24 5.684,25 3.891,26 4.759,27 4.98,28 3.965,29 4.016,30 5.728,31 3.956,32 4.865,33 5.109,34 3.959,35 4.049,36 5.836,37 3.979,38 4.881,39 5.133,40 3.791,41 4.043,42 5.801,43 3.936,44 4.82,45 5.085,46 3.638,47 3.939,48 5.699,49 3.784,50 4.74,51 5.032,52 3.289,53 3.759,54 5.517,55 3.572,56 0.044,57 0.759,58 11.099,59 4.03,60 9.563,61 5.979,62 0.318,63 1.146,64 20.835,65 6.423,66 26.488,67 9.87,68 0.33,69 1.336,70 23.941,71 6.274,72 32.983,73 10.4,74 0.221,75 1.45,76 26.125,77 7.723,78 27.275,79 12.497,80 0.421,81 1.538,82 29.95,83 7.928,84 40.804,85 13.147,86 0.376,87 1.509,88 30.385,89 8.084,90 39.467,91 13.558,92 0.399,93 1.298,94 28.709,95 9.595,96 39.072,97 14.744,98 0.298,99 1.101,100 27.167,101 8.315,102 35.167,103 13.125,104 43,105 39,106 0.259,107 0.567,108 0.764,109 0.828,110 0.849,111 0.849,112 3.268,113 0.941,114 -5.3,115 -5.18,116 -4.85,117 36.7,118 5,119 1,121 1,124 1,127 2,128 2,130 2,131 1,132 1,141 1,142 1,146 1,150 4,152 4,153 10,155 2,157 2,160 5,164 2,165 7,167 1,169 1,172 5,177 12,180 1,182 2,185 3,190 3,191 15,196 2,199 3,204 4,209 1,212 6,217 4,218 5,221 1,223 2,226 8,240 4,246 1,247 3,250 1,255 5,261 863,262 16.618,263 16.618,264 16.618,265 16.618,266 16.618,267 14.678,268 21.076,269 9.515,270 17.166,271 13.181,272 13.181,273 13.181,274 13.181,275 13.181,276 10.152,277 29.788,278 4.369,279 13.997,280 4.094,281 2.281,282 1.118,283 0.745,284 0.623,285 0.623,286 3.942,288 1,289 1,290 1,291 502,292 3.24,294 50.639,295 136.395,297 97.162,298 1.494,299 18.426,300 1,301 1,302 1,303 1,304 0.8,305 0.5,306 1,307 1,308 0.9,309 54,310 241,311 4.759,312 3.392,313 7.031,314 4.3,315 3.34,316 4.723,317 0.86,318 12.061,319 3.217,320 4.259,321 3.016,322 6.335,323 3.82,324 2.874,325 3.929,326 0.4,327 9.578,328 2.711,329 3.864,330 2.771,331 5.711,332 3.463,333 2.529,334 3.347,336 7.644,337 2.365,338 3.549,339 2.487,340 5.236,341 3.231,342 2.283,343 2.928,345 6.43,346 2.16,347 3.445,348 2.425,349 5.124,350 3.087,351 2.155,352 2.71,354 6.147,355 1.999,356 3.201,357 2.119,358 4.997,359 2.895,360 1.949,361 2.378,363 5.591,364 1.835,365 3.087,366 1.854,367 4.832,368 2.643,369 1.705,370 2.208,372 5.083,373 1.596,374 2.822,375 1.557,376 4.352,377 2.397,378 1.432,379 1.944,381 3.863,382 1.378,383 2.364,384 1.171,385 3.936,386 1.942,387 0.981,388 1.316,390 2.738,391 0.939,392 1.7,393 0.926,394 3.13,395 1.425,396 0.526,397 0.593,399 0.941,400 0.465,401 1.456,402 0.462,403 2.887,404 1.31,405 0.356,406 0.379,408 0.534,409 0.339,410 1.271,411 0.31,412 2.662,413 1.01,414 0.07,415 0.082,417 0.14,418 0.066,419 1.023,420 -0.11,421 2.576,422 0.671,423 -0.273,424 -0.331,426 -0.678,427 -0.257,428 0.816,429 -0.168,430 2.384,431 0.519,432 -0.443,433 -0.527,435 -1.083,436 -0.425,437 0.661,438 -0.361,439 2.292,440 0.273,441 -0.679,442 -0.831,444 -1.672,445 -0.64,446 11.733,447 0.469,448 0.733,449 0.029,450 31.75,451 1.27,452 15,453 0.6,454 16.75,455 0.67,456 23.492,457 0.94,458 27.867,459 0.569,460 22.381,461 0.895,462 6.034,463 0.241,464 5.905,465 0.236,466 0.256,468 0.418,471 0.856,472 1.572,473 0.844,474 1.303,475 0.957,476 1.105,477 0.851,478 1.074,479 0.668,480 0.862,481 0.663,482 0.768,483 1.258,484 1.046,485 0.946,486 0.813,487 1.179,488 0.815,489 1.028,490 1.343,491 0.98,492 1.121,493 0.937,494 1.047,495 1.263,496 1.064,497 1.089,498 0.932,499 1.11,500 0.967,501 1.305,502 1.054,503 1.319,504 1.067,505 1.432,506 1.153,507 0.577,508 1.04,509 1.037,510 1.216,511 0.739,512 1.199,513 1.025,514 0.963,515 1.126,516 1.099,517 1.139,518 1.127,519 6,520 0.078,521 2.889,522 2.479,523 2.063,524 1.237,525 0.867,526 0.405,527 0.27,528 0.121,529 5984,530 14267,531 1.992,532 49,533 3,534 6,537 1,538 9,539 5,541 1.686,542 1.807,543 3.195,544 -0.277,545 1,546 1,547 74.513,548 1.521,549 3.334,550 4.496,551 4.869,552 4.992,553 4.992,554 2.699,555 4.564,556 4.609,557 3.323,558 997.026,559 8.008,560 11564.1,561 1,562 1,563 275.121,564 1.554,565 4.541,566 0.222,567 0.009,568 0.074,569 0.059,570 0.049,571 0.03,572 0.026,573 0.015,574 0.015,575 0.009,576 0.508,577 0.17,578 1,579 1.343,580 118.145,581 0.056,582 -0.277,583 0.076,584 -0.156,585 -0.087,586 -0.055,587 0.294,588 0.028,589 0.318,590 0.152,591 0.36,592 0.216,593 -0.108,594 0.125,595 0.048,596 0.143,597 -0.042,598 0.125,599 -0.079,600 -0.212,601 -0.019,602 -0.105,603 -0.031,604 -0.061,605 -0.155,606 0.034,607 -0.097,608 0.015,609 -0.059,610 -0.026,611 -0.322,612 0.042,613 -0.342,614 -0.121,615 -0.366,616 -0.209,617 0.232,618 -0.075,619 -0.085,620 -0.195,621 0.159,622 -0.188,623 -0.12,624 -0.075,625 -0.152,626 -0.123,627 -0.185,628 -0.139,629 1.069,630 1.712,631 0.6,632 20.902,633 0.998,634 1.142,635 4.068,636 16.546,637 0.64,638 3.332,639 3.689,640 3.989,641 4.317,642 4.585,643 4.718,644 4.86,645 4.956,646 4.942,647 4.92,648 5.489,649 0.604,650 340.48,651 3.332,652 4.89,653 5.759,654 6.668,655 7.566,656 8.485,657 9.395,658 10.319,659 11.236,660 12.162,661 12.2,665 1,668 1,670 4,671 1,672 1,673 2,674 4,677 7,679 16,681 1,684 1,686 49,687 16,689 27,690 51,691 18,692 10,696 3,697 4,701 5,705 2,706 10,707 8,713 1,714 1,716 24,717 6,718 1,719 7,722 6,725 0.667,726 1,729 1,730 1,735 1,736 2,738 1,749 2,752 6,755 25,758 1,759 1,760 1,762 1,768 2,773 1,774 13.833,775 10.917,776 5.583,777 3.122,778 3.258,779 1.449,780 0.952,781 4.911,782 10.511,783 3.584,784 4.259,785 4.917,786 5.613,787 6.211,788 6.63,789 7.086,790 7.525,791 7.786,792 8.08,793 0.857,794 42,795 9.193,796 3.747,797 7.587,798 17.72,799 13.999,800 2.087,801 52.167,803 1,804 270.735,805 99.138,806 86.194,808 11,811 99.138,812 281.735,813 86.194,814 55.009,815 2.535,816 18.952,817 86.746,818 28.276,819 4.815,820 270.735,822 270.735,823 185.332,824 11,826 214.208,827 69.855,829 56.952,830 41.021,831 85.03,833 270.735,834 97.194,835 99.138,836 270.735,837 25.176,838 75.126,839 18.011,840 78.019,841 270.735,842 97.194,843 99.138,844 0.585,845 0.351,846 0.194,847 0.115,848 19,849 10,850 0.098,851 5,852 1,853 1.133,854 3.481,855 213.908,856 0.133,857 15,858 116.096,860 17.623,861 6.968,862 3.314,863 0.783,864 96.03,865 3.863,866 18.326,869 5.766,871 18.011,872 467.067,873 35,877 48.891,878 55.936,879 0.271,880 0.594,881 0.801,882 0.867,883 0.889,884 0.889,885 4.836,886 1.432,887 5.778,888 5.083,889 4.369,890 4.945,891 1.029,892 6.648,893 4.259,894 6.082,895 0.981,896 7.376,897 3.863,898 4.111,899 4.956,901 7.664,902 3.96,903 7.423,904 0.526,905 9.071,906 2.738,907 6.019,908 7.265,909 0.763,910 10.809,911 5.808,912 8.802,913 0.356,914 10.823,915 0.941,916 6.538,917 8.084,919 12.669,920 6.297,921 10.213,922 0.07,923 12.613,924 0.534,925 7.968,926 9.918,927 0.597,928 15.367,929 7.675,930 11.648,931 -0.273,932 14.43,933 0.14,934 8.85,935 11.122,937 17.594,938 8.53,939 13.103,940 -0.443,941 16.269,942 -0.678,943 10.108,944 12.771,945 0.47,946 20.143,947 9.745,948 3.34,949 -0.679,950 18.127,951 -1.083,952 11.159,953 14.16,955 22.522,956 10.769,957 2.874,958 12.061,959 19.999,960 -1.672,961 12.361,962 15.737,963 0.367,964 25.023,965 11.932,966 2.529,967 9.578,968 21.883,969 4.723,970 13.488,971 17.21,973 27.464,974 13.03,975 2.283,976 7.644,977 23.778,978 3.929,979 14.676,980 18.763,981 0.283,982 29.951,983 14.181,984 2.155,985 6.43,986 25.68,987 3.347,988 15.839,989 20.275,991 32.418,992 15.312,993 1.949,994 6.147,995 27.59,996 2.928,997 17.026,998 21.821,999 0.217,1000 34.902,1001 16.465,1002 1.705,1003 5.591,1004 29.506,1005 2.71,1006 18.206,1007 23.351,1009 37.38,1010 17.612,1011 6058,1012 9529,1013 17.224,1014 31.341,1015 40.494,1016 40.931,1017 43.594,1018 40.377,1019 40.4,1020 53.074,1021 2.52,1022 121.497,1023 38.14,1024 5.564,1025 5.392,1026 6.582,1027 5.4,1028 5.34,1029 7.723,1030 1.72,1031 19.602,1032 5.167,1033 15.398,1034 1.5,1035 1.516,1036 1.615,1037 1.495,1038 1.496,1039 1.966,1040 0.093,1041 4.5,1042 1.413,1043 4.138,1044 4.193,1045 4.124,1046 3.974,1047 5.165,1048 4.002,1049 3.842,1050 3.885,1051 3.8,1052 3.679,1053 4.94,1054 3.705,1055 3.684,1056 3.756,1057 3.537,1058 3.53,1059 4.532,1060 3.521,1061 3.461,1062 3.53,1063 3.359,1064 3.287,1065 4.366,1066 3.294,1067 3.281,1068 3.347,1069 3.111,1070 3.054,1071 4.316,1072 3.051,1073 3.191,1074 3.297,1075 2.978,1076 2.971,1077 3.98,1078 2.953,1079 3.11,1080 3.202,1081 2.887,1082 2.898,1083 3.895,1084 2.886,1085 3.09,1086 3.198,1087 2.825,1088 2.87,1089 3.756,1090 2.847,1091 0.176,1092 0.126,1093 0.26,1094 0.159,1095 0.124,1096 4.759,1097 0.175,1098 3.392,1099 0.032,1100 7.031,1101 0.447,1102 4.3,1103 0.119,1104 3.34,1105 4.723,1106 0.86,1107 12.061,1108 3.217,1109 1.914,1110 1.886,1111 1.996,1112 2.084,1113 1.222,1114 2.047,1115 1.781,1116 1.718,1117 1.968,1118 1.983,1119 1.124,1120 1.971,1121 1.644,1122 1.578,1123 1.813,1124 1.845,1125 0.853,1126 1.859,1127 1.486,1128 1.431,1129 1.712,1130 1.684,1131 0.781,1132 1.692,1133 1.254,1134 1.182,1135 1.604,1136 1.536,1137 0.696,1138 1.557,1139 1.224,1140 1.13,1141 1.597,1142 1.48,1143 0.619,1144 1.525,1145 1.176,1146 1.076,1147 1.512,1148 1.435,1149 0.579,1150 1.471,1151 1.123,1152 1.032,1153 1.464,1154 1.368,1155 0.533,1156 1.417,1157 4.007,1159 5.352,1160 2.398,1161 6.893,1162 4.844,1163 8.531,1164 7.05,1165 10.224,1166 11.717,1171 0.999,1172 3.414,1173 5.212,1175 0.301,1178 29.584,1179 74.513,1180 163.372,1181 220.327,1182 238.591,1183 244.591,1184 244.591,1185 35.251,1186 7.253,1187 77.23,1188 77.23,1189 17,1190 12.669,1191 4.087,1192 3.17,1193 41.502,1194 81,1195 94,1196 0.261,1197 185.523,1198 306.49,1199 444.435,1200 11966,1202 18.137,1203 0.725,1204 0.623,1205 18.137,1206 15.583,1207 11.939,1208 0.442,1209 0.314,1210 8.327,1211 11.376,1212 7.897,1213 6.71,1214 11.939,1215 8.467,1216 10.932,1217 0.28,1218 0.16,1219 10.932,1220 6.23,1221 9.149,1222 0.173,1223 0.081,1224 9.149,1225 4.299,1226 7.763,1227 0.105,1228 0.038,1229 7.763,1230 2.792,1231 6.524,1232 0.067,1233 0.02,1234 6.524,1235 1.907,1236 0.395,1237 75.329,1238 0.241,1239 23.69,1240 0.764,1241 132,1242 374.294,1243 148.283,1244 362.159,1245 514.7,1246 342,1247 158,1248 405.838,1249 174.84,1250 408.518,1251 601.45,1252 383,1253 6} {0 CHEMBL483993,1 1.536,2 10.567,3 2.954,4 8.723,5 117.014,6 6.78,7 0.5,8 4.191,9 4.321,10 3.679,11 3.615,12 5.239,13 3.6,14 4.755,15 4.97,16 4.007,17 3.963,18 5.702,19 3.939,20 4.831,21 5.017,22 4.144,23 4.149,24 5.832,25 4.111,26 5.054,27 5.27,28 4.219,29 4.295,30 5.959,31 4.228,32 5.209,33 5.448,34 4.274,35 4.374,36 6.129,37 4.302,38 5.257,39 5.486,40 4.209,41 4.406,42 6.186,43 4.301,44 5.293,45 5.57,46 4.101,47 4.322,48 6.154,49 4.191,50 5.201,51 5.482,52 3.873,53 4.201,54 5.999,55 4.056,56 0.028,57 0.879,58 14.32,59 5.327,60 11.493,61 7.662,62 0.497,63 1.319,64 27.516,65 8.025,66 32.938,67 11.908,68 0.426,69 1.582,70 28.63,71 8.893,72 32.458,73 13.595,74 0.28,75 1.864,76 35.791,77 11.188,78 30.778,79 17.567,80 0.724,81 2.057,82 43.137,83 11.718,84 51.849,85 19.147,86 0.624,87 2.12,88 44.714,89 13.111,90 56.995,91 20.898,92 0.697,93 1.957,94 47.362,95 13.711,96 63.126,97 21.947,98 0.607,99 1.695,100 43.657,101 12.906,102 56.361,103 19.939,104 68,105 45,106 0.25,107 0.512,108 0.699,109 0.78,110 0.796,111 0.796,112 3.441,113 0.941,114 -4.64,115 -4.56,116 -4.29,117 36.1,118 4,121 3,122 4,127 2,128 4,129 1,130 1,132 1,141 1,142 1,146 1,150 7,152 5,153 8,160 10,164 5,165 7,172 9,176 1,177 13,185 6,190 4,191 15,199 5,203 3,204 7,212 4,217 5,218 11,226 3,232 6,240 1,246 2,247 5,261 1446,262 20.162,263 20.162,264 20.162,265 20.162,266 20.162,267 18.193,268 25.141,269 12.028,270 21.066,271 15.657,272 15.657,273 15.657,274 15.657,275 15.657,276 12.558,277 28.702,278 5.521,279 16.826,280 4.394,281 2.781,282 1.632,283 1.136,284 1.037,285 1.037,286 4.118,289 1,290 1,291 651,292 3.873,294 64.256,295 171.989,297 123.514,298 1.7,299 22.657,301 1,302 1,303 0.83,304 1,305 1,306 1,307 1,308 0.98,309 65.5,310 317,311 4.774,312 3.437,313 7.06,314 4.323,315 3.363,316 4.733,317 0.86,318 12.173,319 3.244,320 4.361,321 3.193,322 6.527,323 3.953,324 2.997,325 4.059,326 0.86,327 10.238,328 2.855,329 4.011,330 2.979,331 6.096,332 3.664,333 2.719,334 3.477,335 0.86,336 8.79,337 2.56,338 3.602,339 2.586,340 5.723,341 3.283,342 2.339,343 2.986,344 0.8,345 7.463,346 2.214,347 3.588,348 2.443,349 5.278,350 3.164,351 2.216,352 2.897,354 6.28,355 2.088,356 3.195,357 2.173,358 5.029,359 2.828,360 1.876,361 2.413,363 5.651,364 1.783,365 3.055,366 2.165,367 4.772,368 2.647,369 1.69,370 2.238,372 4.895,373 1.615,374 2.928,375 1.982,376 4.53,377 2.542,378 1.609,379 2.036,381 4.491,382 1.494,383 2.532,384 1.954,385 4.069,386 2.41,387 1.532,388 1.532,390 2.964,391 1.336,392 2.415,393 1.693,394 3.532,395 2.138,396 1.251,397 1.401,399 2.867,400 1.102,401 2.105,402 1.301,403 3.472,404 1.836,405 0.944,406 1.063,408 1.996,409 0.835,410 1.843,411 0.84,412 3.175,413 1.511,414 0.585,415 0.717,417 1.336,418 0.537,419 1.347,420 0.79,421 2.789,422 1.228,423 0.347,424 0.347,426 0.516,427 0.304,428 1.316,429 0.59,430 2.658,431 1.052,432 0.131,433 0.148,435 0.224,436 0.12,437 1.166,438 0.305,439 2.652,440 0.852,441 -0.087,442 -0.099,444 -0.163,445 -0.08,446 14,447 0.467,448 0.767,449 0.026,450 35,451 1.167,452 15,453 0.5,454 20,455 0.667,456 31.507,457 1.05,458 34.6,459 0.567,460 28.361,461 0.945,462 7.29,463 0.243,464 7.115,465 0.237,466 0.25,468 0.379,471 0.862,472 1.661,473 0.861,474 1.428,475 0.885,476 1.185,477 1.421,478 0.836,479 0.831,480 0.658,481 1.133,482 0.662,483 1.012,484 1.167,485 1.004,486 1.005,487 1.058,488 0.994,489 0.892,490 1.366,491 0.957,492 1.151,493 0.845,494 1.069,495 1.079,496 1.024,497 1.053,498 0.887,499 1.051,500 0.935,501 0.972,502 1.27,503 1.224,504 1.244,505 1.145,506 1.254,507 0.775,508 0.973,509 0.97,510 1.029,511 0.816,512 1.017,513 1.182,514 0.882,515 1.016,516 0.897,517 1.122,518 0.93,519 6,520 0.153,521 3.556,522 2.792,523 2.374,524 1.633,525 1.065,526 0.746,527 0.455,528 0.217,529 9587,530 24042,531 1.974,532 50.8,533 6,534 19,538 6,541 1.736,542 1.8,543 3.34,544 -0.726,546 1,547 93.723,548 1.536,549 3.15,550 4.299,551 4.795,552 4.893,553 4.893,554 2.896,555 4.44,556 4.872,557 3.495,558 1520.29,559 8.548,560 20284.3,561 1,563 361.775,564 1.549,565 4.808,566 0.188,567 0.008,568 0.079,569 0.055,570 0.044,571 0.029,572 0.022,573 0.017,574 0.013,575 0.009,576 0.464,577 0.17,578 1,579 1.67,580 151.197,581 0.046,582 -0.343,583 0.088,584 -0.225,585 -0.009,586 -0.087,587 -0.07,588 0.252,589 0.205,590 0.336,591 0.019,592 0.305,593 -0.006,594 0.084,595 -0.019,596 0.058,597 -0.059,598 0.017,599 -0.056,600 -0.213,601 0.003,602 -0.096,603 -0.02,604 -0.047,605 -0.062,606 0.096,607 -0.055,608 0.08,609 -0.055,610 0.027,611 -0.04,612 -0.15,613 -0.248,614 -0.238,615 -0.122,616 -0.267,617 0.107,618 0.009,619 0.007,620 -0.077,621 0.139,622 -0.047,623 -0.135,624 0.02,625 -0.023,626 0.06,627 -0.078,628 0.039,629 0.971,630 1.984,631 0.5,632 29.213,633 1,634 1.14,635 3.409,636 11.622,637 0.628,638 3.497,639 3.829,640 4.143,641 4.477,642 4.762,643 4.905,644 5.069,645 5.193,646 5.22,647 5.283,648 6.2,649 0.592,650 413.58,651 3.497,652 5.043,653 5.911,654 6.817,655 7.719,656 8.638,657 9.555,658 10.48,659 11.404,660 12.333,661 8.2,666 1,668 1,670 3,671 1,672 1,673 2,674 3,677 8,679 16,682 1,684 1,686 61,687 16,688 1,689 32,690 63,691 22,692 11,693 4,694 2,696 3,697 4,701 4,706 11,707 11,714 1,716 31,717 7,719 8,722 5,725 0.667,726 3,729 1,735 1,736 2,738 1,748 2,749 2,752 7,755 30,758 4,760 3,763 1,768 4.9,772 2,773 1,774 16.667,775 13.417,776 6.889,777 3.494,778 3.281,779 1.431,780 0.934,781 7.292,782 10.89,783 3.714,784 4.353,785 5.008,786 5.695,787 6.304,788 6.733,789 7.203,790 7.656,791 7.951,792 8.298,793 1,794 51,795 11.049,796 4.414,797 7.583,798 21.351,799 16.578,800 2.083,801 62.5,803 1,804 364.904,805 126.983,806 54.522,808 33,811 126.983,812 397.904,813 54.522,814 67.95,815 13.396,816 18.952,817 73.949,818 40.258,820 364.904,822 364.904,823 181.506,824 33,826 367.232,827 11,828 22,829 56.232,830 72.712,831 50.234,833 364.904,834 87.522,835 126.983,836 364.904,837 40.081,838 91.191,840 83.234,841 364.904,842 87.522,843 126.983,844 0.569,845 0.344,846 0.199,847 0.123,848 20,849 11,850 0.143,851 9,852 1,853 1.133,854 3.834,855 274.427,856 0.133,857 15,858 139.207,860 22.477,861 9.733,862 4.613,863 0.794,864 86.358,865 4.203,866 14.284,869 7.525,872 579.41,873 40,877 60.978,878 69.517,879 0.259,880 0.531,881 0.725,882 0.808,883 0.825,884 0.825,885 4.963,886 1.609,887 5.916,888 4.895,889 4.511,890 5.04,891 1.856,892 6.792,893 4.393,894 6.19,895 1.532,896 7.516,897 4.491,898 4.205,899 5.047,900 0.325,901 7.828,902 4.07,903 7.527,904 1.251,905 9.219,906 2.964,907 6.155,908 7.344,909 1.557,910 10.991,911 5.951,912 8.905,913 0.944,914 10.983,915 2.867,916 6.673,917 8.184,918 0.268,919 12.866,920 6.451,921 10.319,922 0.585,923 12.785,924 1.996,925 8.12,926 9.999,927 1.308,928 15.566,929 7.844,930 11.759,931 0.347,932 14.614,933 1.336,934 9.012,935 11.217,936 0.188,937 17.792,938 8.712,939 13.219,940 0.131,941 16.463,942 0.516,943 10.278,944 12.854,945 1.087,946 20.339,947 9.934,948 3.363,949 -0.087,950 18.328,951 0.224,952 11.337,953 14.247,954 0.125,955 22.713,956 10.964,957 2.997,958 12.173,959 20.205,960 -0.163,961 12.542,962 15.817,963 0.89,964 25.212,965 12.131,966 2.719,967 10.238,968 22.092,969 4.733,970 13.674,971 17.29,972 0.082,973 27.649,974 13.231,975 2.339,976 8.79,977 23.987,978 4.059,979 14.862,980 18.838,981 0.718,982 30.136,983 14.385,984 2.216,985 7.463,986 25.889,987 3.477,988 16.027,989 20.349,990 0.054,991 32.601,992 15.517,993 1.876,994 6.28,995 27.798,996 2.986,997 17.214,998 21.892,999 0.571,1000 35.087,1001 16.671,1002 1.69,1003 5.651,1004 29.712,1005 2.897,1006 18.396,1007 23.421,1008 0.035,1009 37.567,1010 17.819,1011 9756,1012 15572,1013 20.403,1014 38.29,1015 47.146,1016 48.348,1017 51.026,1018 47.082,1019 47.195,1020 60.094,1021 6.76,1022 139.769,1023 44.171,1024 5.654,1025 5.437,1026 6.939,1027 5.423,1028 5.363,1029 7.733,1030 1.72,1031 19.82,1032 5.244,1033 18.921,1034 1.473,1035 1.511,1036 1.595,1037 1.471,1038 1.475,1039 1.878,1040 0.211,1041 4.368,1042 1.38,1043 4.149,1044 4.2,1045 4.133,1046 4.009,1047 5.154,1048 4.029,1049 3.893,1050 3.925,1051 3.847,1052 3.756,1053 4.831,1054 3.78,1055 3.678,1056 3.738,1057 3.56,1058 3.468,1059 4.654,1060 3.481,1061 3.466,1062 3.53,1063 3.359,1064 3.283,1065 4.61,1066 3.29,1067 3.462,1068 3.517,1069 3.296,1070 3.2,1071 4.523,1072 3.21,1073 3.311,1074 3.385,1075 3.143,1076 3.158,1077 4.341,1078 3.14,1079 3.224,1080 3.303,1081 3.037,1082 2.952,1083 4.099,1084 2.959,1085 3.217,1086 3.299,1087 3.008,1088 2.937,1089 3.975,1090 2.94,1091 0.149,1092 0.107,1093 0.221,1094 0.135,1095 0.105,1096 4.774,1097 0.148,1098 3.437,1099 0.027,1100 7.06,1101 0.38,1102 4.323,1103 0.101,1104 3.363,1105 4.733,1106 0.86,1107 12.173,1108 3.244,1109 1.97,1110 1.952,1111 2.058,1112 2.093,1113 1.238,1114 2.066,1115 1.797,1116 1.736,1117 1.916,1118 2.012,1119 1.166,1120 1.997,1121 1.581,1122 1.528,1123 1.785,1124 1.82,1125 0.917,1126 1.813,1127 1.498,1128 1.439,1129 1.725,1130 1.702,1131 0.89,1132 1.704,1133 1.402,1134 1.343,1135 1.71,1136 1.694,1137 0.793,1138 1.703,1139 1.329,1140 1.255,1141 1.652,1142 1.545,1143 0.736,1144 1.581,1145 1.218,1146 1.137,1147 1.575,1148 1.495,1149 0.592,1150 1.528,1151 1.183,1152 1.099,1153 1.553,1154 1.488,1155 0.577,1156 1.514,1157 4.174,1159 5.501,1160 2.398,1161 7.033,1162 4.844,1163 8.672,1164 7.05,1165 10.374,1166 13.133,1171 2.525,1173 16.079,1176 2.122,1178 36.1,1179 93.723,1180 192.139,1181 262.226,1182 292.491,1183 298.491,1184 298.491,1185 49.574,1186 7.609,1187 74.01,1188 74.01,1189 17,1190 12.837,1191 4.087,1192 3.17,1193 54.864,1194 110,1195 121,1196 0.251,1197 225.09,1198 382.27,1199 540.98,1200 18623,1202 21.836,1203 0.728,1204 0.631,1205 21.836,1206 18.944,1207 14.405,1208 0.45,1209 0.314,1210 9.801,1211 13.546,1212 9.277,1213 7.831,1214 14.405,1215 10.032,1216 12.661,1217 0.281,1218 0.164,1219 12.661,1220 7.376,1221 10.58,1222 0.171,1223 0.084,1224 10.58,1225 5.18,1226 9.124,1227 0.105,1228 0.042,1229 9.124,1230 3.642,1231 7.862,1232 0.068,1233 0.023,1234 7.862,1235 2.631,1236 0.382,1237 92.294,1238 0.221,1239 27.677,1240 0.729,1241 154,1242 471.432,1243 172.908,1244 441.383,1245 609.35,1246 418,1247 184,1248 449.321,1249 204.604,1250 458.332,1251 670.45,1252 423,1253 6} {0 CHEMBL484158,1 1.717,2 9.815,3 4.533,4 20.548,5 103.846,6 7.838,7 0.552,8 4.007,9 4.136,10 3.611,11 3.499,12 5.117,13 3.483,14 4.553,15 4.753,16 4.012,17 3.866,18 5.624,19 3.838,20 4.739,21 4.95,22 4.166,23 4.008,24 5.894,25 3.979,26 4.816,27 5.02,28 4.215,29 4.088,30 5.914,31 4.039,32 4.929,33 5.166,34 4.282,35 4.114,36 6.069,37 4.056,38 4.913,39 5.153,40 4.062,41 4.088,42 6.014,43 4,44 4.778,45 4.993,46 3.942,47 3.991,48 5.861,49 3.886,50 4.807,51 5.072,52 3.604,53 3.885,54 5.765,55 3.712,56 0.077,57 0.809,58 9.91,59 4.408,60 7.256,61 5.839,62 0.326,63 1.24,64 20.887,65 7.378,66 25.829,67 10.034,68 0.576,69 1.462,70 27.324,71 7.992,72 51.979,73 11.113,74 0.446,75 1.591,76 29.658,77 9.05,78 36.057,79 12.551,80 0.722,81 1.646,82 36.49,83 9.251,84 69.996,85 13.393,86 0.747,87 1.619,88 37.762,89 9.389,90 65.588,91 13.694,92 0.541,93 1.421,94 27.787,95 9.316,96 48.461,97 12.84,98 0.542,99 1.276,100 33.724,101 10.284,102 55.626,103 14.608,104 61,105 42,106 0.291,107 0.615,108 0.787,109 0.814,110 0.814,111 0.814,112 3.341,113 0.963,114 -6.35,115 -6.19,116 -5.74,117 38,118 4,119 2,121 1,124 1,127 2,128 2,129 3,130 1,132 1,141 1,142 1,146 1,150 4,152 3,153 7,155 2,157 2,160 6,164 2,165 5,167 1,169 2,172 7,177 12,180 1,182 2,185 3,191 16,196 2,199 3,204 5,209 1,212 6,217 3,218 5,223 2,226 10,240 6,246 1,247 1,250 1,255 6,261 1058,262 17.989,263 17.989,264 17.989,265 17.989,266 17.989,267 15.995,268 20.637,269 10.206,270 18.616,271 14.087,272 14.087,273 14.087,274 14.087,275 14.087,276 10.97,277 28.118,278 4.579,279 15.107,280 3.927,281 2.009,282 0.995,283 0.835,284 0.835,285 0.835,286 4.014,287 1,289 1,290 1,291 548,292 3.464,294 55.83,295 150.504,297 107.175,298 1.539,299 31.82,301 0.75,302 0.83,303 0.83,304 0.7,305 0.5,306 0.83,307 1,308 0.78,309 59.333,310 265,311 4.764,312 3.461,313 7.036,314 4.304,315 3.347,316 4.726,317 0.86,318 12.081,319 3.203,320 4.345,321 3.245,322 6.376,323 3.885,324 2.955,325 4.053,326 0.4,327 9.744,328 2.73,329 3.956,330 2.933,331 6.013,332 3.582,333 2.643,334 3.44,336 8.503,337 2.476,338 3.591,339 2.703,340 5.564,341 3.333,342 2.38,343 2.985,345 7.106,346 2.264,347 3.539,348 2.492,349 5.27,350 3.137,351 2.218,352 2.826,354 6.393,355 2.028,356 3.288,357 2.227,358 5.063,359 2.927,360 2.006,361 2.417,363 5.935,364 1.82,365 3.104,366 2.14,367 4.914,368 2.648,369 1.71,370 2.298,372 5.172,373 1.598,374 3.008,375 1.871,376 4.568,377 2.568,378 1.65,379 2.18,381 4.604,382 1.469,383 2.425,384 1.57,385 4.19,386 2.036,387 1.126,388 1.403,390 3.209,391 1.004,392 1.888,393 0.936,394 3.483,395 1.618,396 0.673,397 0.791,399 1.54,400 0.618,401 1.618,402 0.848,403 3.017,404 1.562,405 0.618,406 0.618,408 0.791,409 0.581,410 1.418,411 0.618,412 2.669,413 1.159,414 0.233,415 0.263,417 0.433,418 0.211,419 1.259,420 0.342,421 2.652,422 0.953,423 0.087,424 0.098,426 0.147,427 0.068,428 1.078,429 0.152,430 2.618,431 0.739,432 -0.166,433 -0.2,435 -0.382,436 -0.149,437 0.769,438 -0.051,439 2.571,440 0.416,441 -0.526,442 -0.609,444 -1.167,445 -0.493,446 12.833,447 0.475,448 0.784,449 0.029,450 32.75,451 1.213,452 15,453 0.556,454 17.75,455 0.657,456 27.417,457 1.015,458 30.367,459 0.607,460 24.482,461 0.907,462 6.184,463 0.229,464 6.704,465 0.248,466 0.273,468 0.421,470 1,471 0.68,472 1.315,473 0.647,474 1.142,475 0.604,476 1.022,477 0.754,478 1.017,479 0.582,480 0.839,481 0.57,482 0.769,483 0.982,484 1.012,485 0.825,486 0.773,487 0.88,488 0.76,489 0.944,490 1.263,491 0.906,492 1.051,493 0.857,494 0.987,495 1.003,496 1.122,497 0.899,498 0.915,499 1.022,500 0.895,501 1.043,502 0.835,503 1.317,504 0.98,505 0.914,506 1.015,507 0.877,508 1.164,509 0.973,510 1.231,511 1.045,512 1.271,513 0.765,514 0.909,515 1.123,516 1.204,517 0.708,518 1.217,519 6.5,520 0.12,521 3.333,522 2.792,523 2.254,524 1.379,525 0.984,526 0.589,527 0.29,528 0.181,529 7242,530 20863,531 1.971,532 46,533 6,534 6,537 1,538 6,539 4,541 1.707,542 1.78,543 3.242,544 -0.272,547 85.831,548 1.717,549 3.635,550 4.648,551 4.808,552 4.808,553 4.808,554 2.75,555 4.208,556 4.722,557 3.386,558 1188.42,559 8.236,560 14586.6,561 1,563 282.193,564 1.561,565 4.646,566 0.224,567 0.009,568 0.079,569 0.059,570 0.048,571 0.03,572 0.025,573 0.018,574 0.013,575 0.011,576 0.515,577 0.17,578 0.88,579 1.385,580 131.058,581 0.003,582 -0.17,583 0.035,584 -0.102,585 -0.049,586 -0.036,587 0.094,588 -0.013,589 0.215,590 0.132,591 0.105,592 0.197,593 0.032,594 0.069,595 0.101,596 0.173,597 0.067,598 0.171,599 -0.033,600 -0.201,601 0.039,602 -0.07,603 -0.005,604 -0.029,605 -0.001,606 -0.046,607 0.109,608 0.028,609 0.035,610 0.042,611 -0.081,612 0.157,613 -0.207,614 -0.027,615 -0.007,616 -0.073,617 0.049,618 -0.091,619 -0.131,620 -0.242,621 -0.052,622 -0.296,623 0.046,624 -0.069,625 -0.136,626 -0.205,627 0.053,628 -0.197,629 2.156,630 6.32,631 0.556,632 23.553,633 1.01,634 1.143,635 5.123,636 26.243,637 0.658,638 3.401,639 3.761,640 4.078,641 4.394,642 4.663,643 4.804,644 4.949,645 5.075,646 5.081,647 5.088,648 5.746,649 0.626,650 391.92,651 3.401,652 4.963,653 5.838,654 6.749,655 7.651,656 8.571,657 9.485,658 10.409,659 11.329,660 12.256,661 10,665 1,668 1,670 3,671 1,672 1,673 2,674 3,677 8,679 16,681 1,684 1,685 2,686 50,687 16,688 1,689 29,690 52,691 19,692 11,693 4,694 2,696 3,697 4,698 1,701 4,705 3,706 11,707 8,714 1,715 1,716 23,717 6,718 1,719 8,720 1,722 5,725 0.667,726 1,729 1,735 1,736 2,738 1,749 2,752 5,753 1,754 1,755 27,758 2,759 1,760 1,762 1,767 2,768 2,773 1,774 15.167,775 10.752,776 6.111,777 3.295,778 3.275,779 1.442,780 0.955,781 5.873,782 10.689,783 3.638,784 4.314,785 4.974,786 5.658,787 6.264,788 6.689,789 7.142,790 7.602,791 7.878,792 8.197,793 0.857,794 47,795 9.994,796 4.2,797 7.813,798 18.873,799 15.081,800 2.313,801 62.444,802 1,803 1,804 258.964,805 103.141,806 69.409,807 39.149,808 11,809 14.96,811 103.141,812 309.113,813 84.369,814 46.184,815 5.069,816 18.952,817 69.96,818 43.384,819 14.96,820 258.964,821 39.149,822 258.964,823 172.549,824 25.96,825 39.149,826 229.168,827 58.084,829 47.905,830 54.072,831 107.393,833 273.924,834 80.409,835 142.289,836 258.964,837 38.004,838 66.3,839 18.011,840 115.343,841 258.964,842 95.369,843 142.289,844 0.583,845 0.362,846 0.2,847 0.114,848 20,849 11,850 0.115,851 6,852 1,853 1.133,854 3.594,855 239.069,856 0.133,857 15,858 124.382,860 19.842,861 7.992,862 3.737,863 0.583,864 94.205,865 2.823,866 13.629,869 3.087,871 18.011,872 496.622,873 37,877 50.509,878 57.137,879 0.304,880 0.644,881 0.824,882 0.852,883 0.852,884 0.852,885 4.898,886 1.65,887 5.861,888 5.172,889 4.443,890 5.001,891 1.029,892 6.742,893 4.308,894 6.146,895 1.126,896 7.469,897 4.604,898 4.205,899 5.047,901 7.776,902 3.992,903 7.493,904 0.673,905 9.174,906 3.209,907 6.107,908 7.327,909 0.763,910 10.914,911 5.862,912 8.878,913 0.618,914 10.932,915 1.54,916 6.648,917 8.172,919 12.766,920 6.336,921 10.294,922 0.233,923 12.727,924 0.791,925 8.069,926 9.984,927 0.597,928 15.456,929 7.724,930 11.732,931 0.087,932 14.546,933 0.433,934 8.962,935 11.201,937 17.669,938 8.561,939 13.19,940 -0.166,941 16.385,942 0.147,943 10.214,944 12.837,945 0.47,946 20.212,947 9.778,948 3.347,949 -0.526,950 18.24,951 -0.382,952 11.268,953 14.229,955 22.58,956 10.783,957 2.955,958 12.081,959 20.108,960 -1.167,961 12.464,962 15.799,963 0.367,964 25.076,965 11.943,966 2.643,967 9.744,968 21.987,969 4.726,970 13.591,971 17.271,973 27.511,974 13.026,975 2.38,976 8.503,977 23.876,978 4.053,979 14.775,980 18.819,981 0.283,982 29.994,983 14.17,984 2.218,985 7.106,986 25.773,987 3.44,988 15.935,989 20.328,991 32.458,992 15.29,993 2.006,994 6.393,995 27.677,996 2.985,997 17.119,998 21.87,999 0.217,1000 34.941,1001 16.435,1002 1.71,1003 5.935,1004 29.587,1005 2.826,1006 18.297,1007 23.398,1009 37.417,1010 17.572,1011 7359,1012 12739,1013 18.323,1014 32.892,1015 43.268,1016 44.54,1017 47.264,1018 43.397,1019 43.294,1020 56.192,1021 2.52,1022 131.318,1023 40.142,1024 5.586,1025 5.461,1026 6.654,1027 5.404,1028 5.347,1029 7.726,1030 1.72,1031 19.627,1032 5.203,1033 17.503,1034 1.492,1035 1.536,1036 1.63,1037 1.496,1038 1.493,1039 1.938,1040 0.087,1041 4.528,1042 1.384,1043 4.141,1044 4.193,1045 4.157,1046 3.992,1047 8.201,1048 4.015,1049 3.864,1050 3.888,1051 3.939,1052 3.726,1053 5.164,1054 3.749,1055 3.724,1056 3.791,1057 3.582,1058 3.582,1059 4.903,1060 3.572,1061 3.466,1062 3.534,1063 3.409,1064 3.294,1065 4.583,1066 3.303,1067 3.306,1068 3.407,1069 3.368,1070 3.123,1071 4.511,1072 3.089,1073 3.238,1074 3.304,1075 3.04,1076 2.97,1077 4.319,1078 2.981,1079 3.147,1080 3.249,1081 3.028,1082 2.917,1083 4.043,1084 2.911,1085 2.962,1086 3.065,1087 2.954,1088 2.79,1089 3.936,1090 2.785,1091 0.164,1092 0.119,1093 0.243,1094 0.148,1095 0.115,1096 4.764,1097 0.163,1098 3.461,1099 0.03,1100 7.036,1101 0.417,1102 4.304,1103 0.11,1104 3.347,1105 4.726,1106 0.86,1107 12.081,1108 3.203,1109 1.925,1110 1.91,1111 2.006,1112 2.083,1113 1.293,1114 2.046,1115 1.799,1116 1.739,1117 1.956,1118 1.97,1119 1.137,1120 1.966,1121 1.674,1122 1.614,1123 1.812,1124 1.871,1125 0.869,1126 1.878,1127 1.497,1128 1.446,1129 1.725,1130 1.687,1131 0.858,1132 1.694,1133 1.351,1134 1.256,1135 1.709,1136 1.584,1137 0.784,1138 1.638,1139 1.229,1140 1.149,1141 1.562,1142 1.504,1143 0.596,1144 1.526,1145 1.166,1146 1.082,1147 1.489,1148 1.448,1149 0.561,1150 1.478,1151 0.944,1152 0.85,1153 1.271,1154 1.23,1155 0.404,1156 1.246,1157 4.078,1159 5.425,1160 2.398,1161 6.973,1162 4.844,1163 8.618,1164 7.05,1165 10.319,1166 9.304,1167 6.41,1168 14.32,1171 1.924,1172 3.421,1173 5.007,1175 0.275,1178 31.301,1179 85.831,1180 181.754,1181 232.418,1182 240.418,1183 240.418,1184 240.418,1185 56.619,1186 7.414,1187 64.34,1188 64.34,1189 17,1190 12.762,1191 4.087,1192 3.17,1193 46.662,1194 92,1195 100,1196 0.258,1197 197.852,1198 334.07,1199 474.518,1200 14574,1201 4,1202 19.715,1203 0.73,1204 0.624,1205 19.345,1206 16.855,1207 12.888,1208 0.444,1209 0.321,1210 8.809,1211 11.993,1212 8.417,1213 7.089,1214 12.766,1215 9.308,1216 11.631,1217 0.277,1218 0.162,1219 11.472,1220 6.822,1221 9.994,1222 0.172,1223 0.085,1224 9.869,1225 4.914,1226 8.5,1227 0.106,1228 0.042,1229 8.491,1230 3.354,1231 7.006,1232 0.067,1233 0.021,1234 7.015,1235 2.17,1236 0.39,1237 84.654,1238 0.234,1239 25.26,1240 0.752,1241 142,1242 478.963,1243 175.469,1244 464.566,1245 628.63,1246 434,1247 171,1248 453.218,1249 201.736,1250 459.309,1251 679.98,1252 431,1253 6} {0 CHEMBL506214,1 1.525,2 9.704,3 3.609,4 13.026,5 105.805,6 6.843,7 0.552,8 4.072,9 4.206,10 3.569,11 3.525,12 5.133,13 3.506,14 4.618,15 4.831,16 3.935,17 3.879,18 5.599,19 3.851,20 4.743,21 4.944,22 4.053,23 4.04,24 5.76,25 4.01,26 4.896,27 5.102,28 4.141,29 4.167,30 5.871,31 4.112,32 5.04,33 5.262,34 4.179,35 4.226,36 6.031,37 4.171,38 5.09,39 5.315,40 4.001,41 4.249,42 6.04,43 4.149,44 5.094,45 5.372,46 3.824,47 4.159,48 5.943,49 3.993,50 4.967,51 5.263,52 3.481,53 3.952,54 5.724,55 3.762,56 0.045,57 0.799,58 12.478,59 4.709,60 11.251,61 6.754,62 0.331,63 1.212,64 23.331,65 7.444,66 28.43,67 10.952,68 0.329,69 1.438,70 26.123,71 7.766,72 32.251,73 11.953,74 0.291,75 1.626,76 30.178,77 9.764,78 30.544,79 15.007,80 0.562,81 1.776,82 36.052,83 9.956,84 49.351,85 15.83,86 0.528,87 1.838,88 37.879,89 10.399,90 51.716,91 16.549,92 0.566,93 1.654,94 38.356,95 12.203,96 52.703,97 19.119,98 0.4,99 1.358,100 34.304,101 10.575,102 44.072,103 16.485,104 61,105 42,106 0.254,107 0.555,108 0.751,109 0.826,110 0.832,111 0.85,112 3.341,113 0.944,114 -5.21,115 -5.1,116 -4.78,117 37,118 5,119 1,121 2,124 1,127 2,128 3,129 2,130 1,132 1,141 1,142 1,146 1,150 5,152 3,153 10,155 2,157 2,160 8,164 2,165 7,167 1,169 1,172 6,176 1,177 14,180 1,182 2,185 3,190 3,191 18,196 2,199 4,204 4,209 1,212 6,217 4,218 6,221 1,223 3,226 9,240 4,246 1,247 3,250 1,255 7,261 1076,262 17.989,263 17.989,264 17.989,265 17.989,266 17.989,267 16.048,268 25.39,269 10.265,270 18.64,271 14.109,272 14.109,273 14.109,274 14.109,275 14.109,276 10.977,277 36.91,278 4.632,279 14.978,280 4.23,281 2.422,282 1.251,283 0.802,284 0.765,285 0.653,286 4.015,288 1,289 1,290 1,291 542,292 3.464,294 54.297,295 149.434,297 104.408,298 1.44,299 20.465,300 1,301 1,302 1,303 1,304 1,305 1,306 1,307 1,308 1,309 58.5,310 262,311 4.783,312 3.452,313 7.115,314 4.342,315 3.376,316 4.737,317 0.86,318 12.378,319 3.269,320 4.373,321 3.138,322 6.502,323 3.926,324 2.978,325 4.091,326 0.86,327 10.165,328 2.817,329 3.878,330 2.772,331 5.847,332 3.496,333 2.55,334 3.36,335 0.4,336 8.008,337 2.407,338 3.551,339 2.574,340 5.267,341 3.234,342 2.284,343 2.93,345 6.535,346 2.168,347 3.467,348 2.456,349 5.142,350 3.108,351 2.176,352 2.738,354 6.172,355 2.024,356 3.295,357 2.336,358 5.047,359 2.933,360 1.994,361 2.543,363 5.75,364 1.873,365 3.201,366 2.119,367 4.997,368 2.899,369 1.94,370 2.376,372 5.554,373 1.843,374 3.086,375 1.849,376 4.832,377 2.642,378 1.704,379 2.203,381 5.083,382 1.595,383 2.458,384 1.376,385 4.26,386 2.102,387 1.156,388 1.446,390 3.376,391 1.087,392 1.784,393 1.094,394 3.516,395 1.504,396 0.581,397 0.671,399 1.286,400 0.53,401 1.593,402 0.916,403 2.987,404 1.328,405 0.479,406 0.52,408 0.681,409 0.403,410 1.447,411 0.498,412 2.802,413 1.312,414 0.349,415 0.371,417 0.52,418 0.334,419 1.259,420 0.348,421 2.664,422 0.999,423 0.063,424 0.073,426 0.117,427 0.059,428 1.023,429 -0.11,430 2.578,431 0.679,432 -0.271,433 -0.328,435 -0.694,436 -0.256,437 0.825,438 -0.166,439 2.485,440 0.529,441 -0.437,442 -0.524,444 -1.089,445 -0.423,446 12.667,447 0.469,448 0.784,449 0.029,450 33.25,451 1.231,452 15.5,453 0.574,454 17.75,455 0.657,456 27.214,457 1.008,458 30.533,459 0.565,460 25.091,461 0.929,462 6.446,463 0.239,464 6.441,465 0.239,466 0.276,468 0.426,471 0.867,472 1.529,473 0.861,474 1.32,475 0.954,476 1.122,477 1.086,478 0.964,479 0.705,480 0.797,481 0.82,482 0.721,483 1.214,484 1.059,485 0.947,486 0.891,487 1.163,488 0.866,489 0.812,490 1.349,491 0.887,492 1.162,493 0.755,494 1.045,495 1.315,496 1.13,497 1.061,498 0.955,499 1.097,500 0.96,501 1.572,502 1.155,503 1.457,504 1.151,505 1.662,506 1.252,507 0.59,508 1.011,509 1.019,510 1.117,511 0.764,512 1.125,513 0.988,514 0.954,515 1.062,516 1.027,517 1.073,518 1.055,519 6.5,520 0.095,521 2.889,522 2.917,523 2.569,524 1.491,525 1.026,526 0.479,527 0.339,528 0.161,529 7030,530 16691,531 1.971,532 50,533 6,534 9,537 1,538 6,539 5,541 1.709,542 1.78,543 3.195,544 -0.309,546 1,547 82.334,548 1.525,549 3.333,550 4.504,551 4.953,552 4.99,553 5.101,554 2.698,555 4.431,556 4.722,557 3.328,558 1168.05,559 8.246,560 14232.2,561 1,562 1,563 310.764,564 1.561,565 4.646,566 0.224,567 0.008,568 0.069,569 0.062,570 0.051,571 0.029,572 0.026,573 0.015,574 0.015,575 0.009,576 0.509,577 0.17,578 1,579 1.385,580 130.362,581 0.045,582 -0.236,583 0.077,584 -0.154,585 -0.07,586 -0.053,587 0.107,588 0.132,589 0.297,590 0.224,591 0.239,592 0.268,593 -0.09,594 0.138,595 0.047,596 0.117,597 -0.067,598 0.107,599 0.108,600 -0.211,601 0.076,602 -0.111,603 0.119,604 -0.031,605 -0.075,606 -0.024,607 -0.05,608 0.015,609 0.03,610 -0.008,611 -0.377,612 -0.028,613 -0.456,614 -0.191,615 -0.472,616 -0.309,617 0.181,618 -0.05,619 -0.061,620 -0.136,621 0.13,622 -0.133,623 -0.093,624 -0.073,625 -0.087,626 -0.069,627 -0.13,628 -0.077,629 1.048,630 2.163,631 0.556,632 22.343,633 0.998,634 1.138,635 3.984,636 15.869,637 0.635,638 3.401,639 3.761,640 4.078,641 4.431,642 4.71,643 4.844,644 4.984,645 5.075,646 5.088,647 5.094,648 5.571,649 0.599,650 369.52,651 3.401,652 4.963,653 5.838,654 6.756,655 7.662,656 8.589,657 9.507,658 10.439,659 11.363,660 12.297,661 9.3,665 1,668 1,670 3,671 1,672 1,673 2,674 3,677 8,679 16,681 1,684 2,686 54,687 16,688 1,689 29,690 56,691 20,692 11,693 4,694 2,696 3,697 4,701 5,705 2,706 11,707 9,713 1,714 1,716 27,717 6,718 1,719 7,722 5,725 0.667,726 2,729 1,735 1,736 2,738 1,749 2,752 7,755 27,758 1,759 1,760 2,762 1,768 3.7,773 2,774 15.167,775 12.133,776 6.111,777 3.348,778 3.324,779 1.448,780 0.943,781 5.681,782 10.746,783 3.638,784 4.314,785 4.981,786 5.69,787 6.29,788 6.719,789 7.171,790 7.603,791 7.889,792 8.201,793 0.857,794 47,795 9.938,796 4.035,797 7.586,798 19.159,799 15.092,800 2.086,801 56.333,802 1,803 1,804 306.049,805 116.122,806 69.409,808 22,811 116.122,812 328.048,813 69.409,814 65.892,815 2.535,816 18.952,817 69.96,818 50.191,820 306.049,822 306.049,823 185.531,824 22,826 249.521,827 80.855,829 54.196,830 60.762,831 68.245,833 306.049,834 91.409,835 116.122,836 306.049,837 31.277,838 86.009,839 18.011,840 72.234,841 306.049,842 91.409,843 116.122,844 0.581,845 0.356,846 0.204,847 0.125,848 20,849 11,850 0.107,851 6,852 1,853 1.133,854 3.561,855 241.509,856 0.133,857 15,858 128.382,860 19.589,861 7.83,862 3.644,863 0.761,864 90.245,865 3.88,866 13.964,869 6.712,871 18.011,872 513.579,873 37,877 53.883,878 61.478,879 0.265,880 0.579,881 0.783,882 0.861,883 0.867,884 0.886,885 4.898,886 1.704,887 5.861,888 5.554,889 4.443,890 5.001,891 1.454,892 6.749,893 4.335,894 6.146,895 1.156,896 7.469,897 5.083,898 4.205,899 5.047,901 7.801,902 4.067,903 7.493,904 0.581,905 9.175,906 3.376,907 6.107,908 7.33,909 1.175,910 10.959,911 5.912,912 8.879,913 0.479,914 10.937,915 1.286,916 6.648,917 8.175,919 12.853,920 6.427,921 10.296,922 0.349,923 12.737,924 0.681,925 8.074,926 9.992,927 0.966,928 15.567,929 7.808,930 11.737,931 0.063,932 14.565,933 0.52,934 8.976,935 11.214,937 17.826,938 8.686,939 13.198,940 -0.271,941 16.415,942 0.117,943 10.237,944 12.854,945 0.788,946 20.392,947 9.91,948 3.376,949 -0.437,950 18.284,951 -0.694,952 11.304,953 14.251,955 22.798,956 10.953,957 2.978,958 12.378,959 20.167,960 -1.089,961 12.512,962 15.825,963 0.634,964 25.318,965 12.128,966 2.55,967 10.165,968 22.062,969 4.737,970 13.653,971 17.302,973 27.784,974 13.242,975 2.284,976 8.008,977 23.967,978 4.091,979 14.848,980 18.852,981 0.504,982 30.291,983 14.408,984 2.176,985 6.535,986 25.881,987 3.36,988 16.021,989 20.366,991 32.782,992 15.553,993 1.994,994 6.172,995 27.802,996 2.93,997 17.217,998 21.91,999 0.395,1000 35.288,1001 16.72,1002 1.94,1003 5.75,1004 29.728,1005 2.738,1006 18.406,1007 23.44,1009 37.789,1010 17.881,1011 7163,1012 11212,1013 18.323,1014 34.313,1015 43.211,1016 44.229,1017 47.3,1018 43.17,1019 43.259,1020 56.118,1021 4.24,1022 131.251,1023 40.818,1024 5.588,1025 5.452,1026 6.665,1027 5.442,1028 5.376,1029 7.737,1030 1.72,1031 19.982,1032 5.269,1033 17.421,1034 1.49,1035 1.525,1036 1.631,1037 1.489,1038 1.492,1039 1.935,1040 0.146,1041 4.526,1042 1.408,1043 4.145,1044 4.195,1045 4.131,1046 3.998,1047 5.163,1048 4.021,1049 3.879,1050 3.906,1051 3.838,1052 3.734,1053 4.891,1054 3.759,1055 3.686,1056 3.758,1057 3.538,1058 3.535,1059 4.582,1060 3.525,1061 3.463,1062 3.532,1063 3.361,1064 3.293,1065 4.512,1066 3.3,1067 3.297,1068 3.354,1069 3.138,1070 3.071,1071 4.324,1072 3.066,1073 3.279,1074 3.347,1075 3.1,1076 3,1077 4.225,1078 3.019,1079 3.191,1080 3.296,1081 2.977,1082 2.969,1083 3.972,1084 2.951,1085 3.09,1086 3.199,1087 2.825,1088 2.872,1089 3.757,1090 2.848,1091 0.165,1092 0.119,1093 0.245,1094 0.15,1095 0.116,1096 4.783,1097 0.163,1098 3.452,1099 0.03,1100 7.115,1101 0.427,1102 4.342,1103 0.113,1104 3.376,1105 4.737,1106 0.86,1107 12.378,1108 3.269,1109 1.95,1110 1.935,1111 2.026,1112 2.087,1113 1.224,1114 2.055,1115 1.792,1116 1.73,1117 1.975,1118 1.999,1119 1.199,1120 1.987,1121 1.649,1122 1.585,1123 1.819,1124 1.846,1125 0.881,1126 1.862,1127 1.501,1128 1.447,1129 1.721,1130 1.688,1131 0.794,1132 1.698,1133 1.261,1134 1.193,1135 1.605,1136 1.554,1137 0.696,1138 1.563,1139 1.238,1140 1.165,1141 1.602,1142 1.531,1143 0.627,1144 1.557,1145 1.213,1146 1.124,1147 1.588,1148 1.48,1149 0.59,1150 1.525,1151 1.172,1152 1.072,1153 1.484,1154 1.434,1155 0.57,1156 1.47,1157 4.078,1159 5.425,1160 2.398,1161 6.973,1162 4.844,1163 8.622,1164 7.05,1165 10.332,1166 13.482,1171 0.989,1172 3.427,1173 11.048,1175 0.285,1178 32.331,1179 82.334,1180 179.97,1181 243.215,1182 267.48,1183 269.48,1184 275.48,1185 42.423,1186 7.422,1187 73.57,1188 73.57,1189 17,1190 12.798,1191 4.087,1192 3.17,1193 46.568,1194 88,1195 102,1196 0.267,1197 201.909,1198 338.88,1199 484.419,1200 14646,1202 19.715,1203 0.73,1204 0.631,1205 19.715,1206 17.045,1207 12.888,1208 0.444,1209 0.315,1210 8.959,1211 12.235,1212 8.466,1213 7.21,1214 12.888,1215 9.126,1216 11.672,1217 0.278,1218 0.161,1219 11.672,1220 6.765,1221 9.821,1222 0.169,1223 0.082,1224 9.821,1225 4.738,1226 8.509,1227 0.103,1228 0.038,1229 8.509,1230 3.176,1231 7.327,1232 0.067,1233 0.02,1234 7.327,1235 2.247,1236 0.401,1237 81.728,1238 0.234,1239 25.12,1240 0.79,1241 142,1242 410.384,1243 158.997,1244 391.431,1245 552.41,1246 370,1247 171,1248 428.567,1249 188.832,1250 433.388,1251 637.3,1252 404,1253 6}